| 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 | 42.1 | Very low | 42.6 | Very low | 131 Ų | 131 | 104.7 Ų | 104.7 | 65% | 0.645 | 52% | 0.524 | S | S | * | . | 0 | -43.9 | 0 | -78.3 | -62.6 | -92.5 | 0 | 0 | 113.4 | L3 L4 V5 E125 | M1-L3 PolarHBondContact O-N 3.46Å; M1-L3 VanDerWaalsContact O-N 3.15Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.15Å; M1-L4 HydrophobicContact SD-CD1 4.2Å; M1-V5 PolarHBondContact O-N 3.19Å; M1-E125 PolarHBondContact N-OE1 2.87Å | |||
| 2 | A | 37.3 | Very low | 41.9 | Very low | 68 Ų | 68 | 105.5 Ų | 105.5 | 56% | 0.562 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -43.7 | -51.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116 | L4 V5 R6 | A2-L4 PolarHBondContact O-N 2.97Å; A2-V5 PolarHBondContact O-N 2.9Å; A2-R6 PolarHBondContact O-N 2.98Å; A2-R6 VanDerWaalsContact O-N 3.12Å |
| 3 | L | 43.3 | Very low | 41.6 | Very low | 24 Ų | 24 | 102.5 Ų | 102.5 | 13% | 0.126 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -65.7 | -32.4 | 179.8 | -84.5 | 159.6 | 0 | 0 | 0 | 114.2 | M1 V5 R6 V7 W145 | M1-L3 PolarHBondContact O-N 3.46Å; M1-L3 VanDerWaalsContact O-N 3.15Å; L3-V5 VanDerWaalsContact C-N 3.31Å; L3-V5 PolarHBondContact O-N 3.49Å; L3-R6 PolarHBondContact O-N 3.23Å; L3-V7 WeakPolarHBondContact O-CB 3.35Å; L3-V7 WeakPolarHBondContact O-CG2 3.42Å; L3-V7 PolarHBondContact O-N 3.22Å; L3-W145 HydrophobicContact CD1-CB 3.7Å; L3-W145 HydrophobicContact CD1-CD2 4.43Å; L3-W145 HydrophobicContact CD1-CG 3.45Å; L3-W145 VanDerWaalsContact CD1-CG 3.45Å |
| 4 | L | 44.3 | Very low | 41.5 | Very low | 65 Ų | 65 | 106.2 Ų | 106.2 | 34% | 0.34 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.8 | -38.4 | 174.7 | -76.4 | 163.4 | 0 | 0 | 0 | 111.2 | M1 A2 L8 V188 | M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.15Å; M1-L4 HydrophobicContact SD-CD1 4.2Å; A2-L4 PolarHBondContact O-N 2.97Å; L4-L8 WeakPolarHBondContact O-CG 3.42Å; L4-L8 PolarHBondContact O-N 3.03Å; L4-V188 HydrophobicContact CD2-CG1 3.79Å |
| 5 | V | 42.8 | Very low | 41.1 | Very low | 80 Ų | 80 | 105.3 Ų | 105.3 | 49% | 0.485 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.9 | -33.9 | 176.7 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | M1 A2 L3 | M1-V5 PolarHBondContact O-N 3.19Å; A2-V5 PolarHBondContact O-N 2.9Å; L3-V5 VanDerWaalsContact C-N 3.31Å; L3-V5 PolarHBondContact O-N 3.49Å |
| 6 | R | 48.9 | Very low | 41.6 | Very low | 103 Ų | 103 | 105.6 Ų | 105.6 | 39% | 0.389 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -74.5 | -44.6 | 175.8 | -70.3 | -175.3 | 176.5 | -155 | -7.5 | 113 | A2 L3 L8 R9 N10 E130 D140 | A2-R6 PolarHBondContact O-N 2.98Å; A2-R6 VanDerWaalsContact O-N 3.12Å; L3-R6 PolarHBondContact O-N 3.23Å; R6-L8 VanDerWaalsContact C-N 3.3Å; R6-L8 PolarHBondContact O-N 3.37Å; R6-R9 PolarHBondContact O-N 2.79Å; R6-N10 PolarHBondContact O-N 3.16Å; R6-E130 VanDerWaalsContact CZ-CD 3.42Å; R6-E130 IonicContact CZ-OE1 3.71Å; R6-E130 VanDerWaalsContact CZ-OE1 3.25Å; R6-E130 IonicContact CZ-OE2 3.7Å; R6-E130 IonicContact NE-OE1 2.8Å; R6-E130 IonicContact NH1-OE1 3.63Å; R6-E130 IonicContact NH1-OE2 3.24Å; R6-E130 PolarHBondContact NH1-OE2 2.99Å; R6-E130 VanDerWaalsContact NH1-OE2 3.08Å; R6-E130 IonicContact NH2-OE1 3.02Å; R6-E130 PolarHBondContact NH2-OE1 3.43Å; R6-E130 IonicContact NH2-OE2 2.7Å; R6-E130 PolarHBondContact NH2-OE2 2.89Å; R6-D140 IonicContact NH1-OD2 3.02Å |
| 7 | V | 45.9 | Very low | 41.9 | Very low | 46 Ų | 46 | 102.4 Ų | 102.4 | 28% | 0.279 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 178.4 | 168.8 | 0 | 0 | 0 | 0 | 111.6 | L3 R9 M189 | L3-V7 WeakPolarHBondContact O-CB 3.35Å; L3-V7 WeakPolarHBondContact O-CG2 3.42Å; L3-V7 PolarHBondContact O-N 3.22Å; V7-R9 PolarHBondContact O-N 3.08Å; V7-M189 HydrophobicContact CG1-CG 4.22Å; V7-M189 HydrophobicContact CG2-CE 3.69Å |
| 8 | L | 42.9 | Very low | 41.5 | Very low | 134 Ų | 134 | 103.1 Ų | 103.1 | 70% | 0.702 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -17.1 | 175.2 | -70.7 | 171.8 | 0 | 0 | 0 | 114 | L4 R6 | L4-L8 WeakPolarHBondContact O-CG 3.42Å; L4-L8 PolarHBondContact O-N 3.03Å; R6-L8 VanDerWaalsContact C-N 3.3Å; R6-L8 PolarHBondContact O-N 3.37Å |
| 9 | R | 41.7 | Very low | 41.6 | Very low | 209 Ų | 209 | 99.2 Ų | 99.2 | 79% | 0.789 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -22 | -179.2 | -172.9 | 174.8 | -71.5 | -172.5 | -2.6 | 113.6 | R6 V7 | R6-R9 PolarHBondContact O-N 2.79Å; V7-R9 PolarHBondContact O-N 3.08Å |
| 10 | N | 39.4 | Very low | 41.5 | Very low | 116 Ų | 116 | 98.9 Ų | 98.9 | 62% | 0.62 | 53% | 0.526 | S | S | * | . | trans | -134.2 | 73.8 | -166.5 | -144.2 | 19.8 | 0 | 0 | 0 | 113.1 | R6 T12 | R6-N10 PolarHBondContact O-N 3.16Å; N10-T12 PolarHBondContact O-N 3.27Å; N10-T12 PolarHBondContact OD1-OG1 3.36Å | ||
| 11 | Q | 39.8 | Very low | 41.3 | Very low | 176 Ų | 176 | 98 Ų | 98 | 82% | 0.822 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 52 | 178.7 | -66.8 | -165.8 | 8.4 | 0 | 0 | 113.8 | ||
| 12 | T | 34.2 | Very low | 40.8 | Very low | 114 Ų | 114 | 96.8 Ų | 96.8 | 70% | 0.699 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.5 | 0.5 | -173.4 | 45.5 | 0 | 0 | 0 | 0 | 115.2 | N10 | N10-T12 PolarHBondContact O-N 3.27Å; N10-T12 PolarHBondContact OD1-OG1 3.36Å |
| 13 | S | 38.2 | Very low | 40.6 | Very low | 66 Ų | 66 | 105.1 Ų | 105.1 | 46% | 0.462 | 55% | 0.548 | S | S | . | . | trans | -128.4 | 73.3 | 174.3 | -165.5 | 0 | 0 | 0 | 0 | 112.8 | S15 | S13-S15 VanDerWaalsContact C-N 3.28Š| ||
| 14 | I | 40.8 | Very low | 40.3 | Very low | 155 Ų | 155 | 111.7 Ų | 111.7 | 80% | 0.795 | 58% | 0.583 | S | S | * | * | trans | -79.4 | -14.7 | 171.2 | -66.4 | 173.6 | 0 | 0 | 0 | 111.3 | ||||
| 15 | S | 35.6 | Very low | 39.5 | Very low | 93 Ų | 93 | 115.5 Ų | 115.5 | 65% | 0.65 | 60% | 0.602 | S | S | * | * | trans | -88.7 | -13 | -163.3 | 50.6 | 0 | 0 | 0 | 0 | 116.5 | S13 W17 | S13-S15 VanDerWaalsContact C-N 3.28Å; S15-W17 PolarHBondContact O-N 2.75Å | ||
| 16 | Q | 48.1 | Very low | 38.8 | Very low | 110 Ų | 110 | 118 Ų | 118 | 51% | 0.514 | 62% | 0.619 | S | S | . | * | trans | -98.8 | 41.2 | -167.5 | -66 | -174.6 | -22.4 | 0 | 0 | 114.8 | T141 | Q16-T141 HydrophobicContact CB-CG2 4.38Å; Q16-T141 VanDerWaalsContact OE1-CG2 3.29Å | ||
| 17 | W | 46.4 | Very low | 37.8 | Very low | 50 Ų | 50 | 118.9 Ų | 118.9 | 19% | 0.189 | 64% | 0.636 | C | S | . | * | trans | -96.5 | 12.8 | 174.3 | -86 | 92.6 | 0 | 0 | 0 | 114.5 | S15 P19 F142 M189 V191 L196 N199 | S15-W17 PolarHBondContact O-N 2.75Å; W17-P19 VanDerWaalsContact O-CD 3.32Å; W17-P19 WeakPolarHBondContact O-CD 3.21Å; W17-F142 HydrophobicContact CE3-CD1 4.11Å; W17-F142 HydrophobicContact CH2-CB 4.49Å; W17-F142 AromaticContact CH2-CD1 3.16Å; W17-F142 HydrophobicContact CH2-CD1 3.16Å; W17-F142 HydrophobicContact CH2-CD2 4.28Å; W17-F142 AromaticContact CH2-CE1 3.21Å; W17-F142 HydrophobicContact CH2-CE1 3.21Å; W17-F142 HydrophobicContact CH2-CE2 4.33Å; W17-F142 AromaticContact CH2-CG 3.72Å; W17-F142 HydrophobicContact CH2-CG 3.72Å; W17-F142 AromaticContact CH2-CZ 3.82Å; W17-F142 HydrophobicContact CH2-CZ 3.82Å; W17-F142 HydrophobicContact CZ2-CB 4.2Å; W17-F142 AromaticContact CZ2-CD1 3.71Å; W17-F142 HydrophobicContact CZ2-CD1 3.71Å; W17-F142 HydrophobicContact CZ2-CD2 4.4Å; W17-F142 HydrophobicContact CZ2-CE1 4.16Å; W17-F142 AromaticContact CZ2-CG 3.83Å; W17-F142 HydrophobicContact CZ2-CG 3.83Å; W17-F142 AromaticContact CZ3-CD1 3.38Å; W17-F142 HydrophobicContact CZ3-CD1 3.38Å; W17-F142 AromaticContact CZ3-CE1 3.42Å; W17-F142 HydrophobicContact CZ3-CE1 3.42Å; W17-F142 VanDerWaalsContact CZ3-CE1 3.42Å; W17-F142 HydrophobicContact CZ3-CG 4.32Å; W17-F142 HydrophobicContact CZ3-CZ 4.4Å; W17-M189 HydrophobicContact CZ2-CB 4.25Å; W17-M189 HydrophobicContact CZ2-SD 3.63Å; W17-V191 HydrophobicContact CD2-CG2 3.87Å; W17-V191 HydrophobicContact CE3-CG2 4.42Å; W17-V191 HydrophobicContact CG-CG2 4.43Å; W17-V191 HydrophobicContact CH2-CG2 3.86Å; W17-V191 HydrophobicContact CZ2-CG2 3.28Å; W17-V191 HydrophobicContact CZ3-CG2 4.4Å; W17-L196 HydrophobicContact CH2-CD1 4.23Å; W17-L196 HydrophobicContact CZ3-CD1 4.22Å; W17-N199 PolarHBondContact O-ND2 3.03Å | ||
| 18 | V | 36 | Very low | 36.9 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 70% | 0.703 | 66% | 0.657 | S | S | * | * | trans | -92.6 | 110.4 | -178.9 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 19 | P | 43.3 | Very low | 36.1 | Very low | 29 Ų | 29 | 120.7 Ų | 120.7 | 19% | 0.188 | 66% | 0.662 | C | S | . | * | trans | -69.2 | 137.9 | 170.9 | 28.7 | -33.1 | 0 | 0 | 0 | 110.4 | W17 C21 L202 | W17-P19 VanDerWaalsContact O-CD 3.32Å; W17-P19 WeakPolarHBondContact O-CD 3.21Å; P19-C21 PolarHBondContact O-N 3.3Å; P19-L202 HydrophobicContact CG-CB 4.41Å; P19-L202 HydrophobicContact CG-CD1 3.59Å | ||
| 20 | V | 39.9 | Very low | 35.5 | Very low | 92 Ų | 92 | 116.8 Ų | 116.8 | 56% | 0.558 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -81.3 | 60.2 | -178.1 | -168.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 21 | C | 37.3 | Very low | 35 | Very low | 81 Ų | 81 | 119 Ų | 119 | 55% | 0.547 | 67% | 0.669 | S | S | . | * | trans | -117.5 | 27.3 | -174.6 | -59.5 | 0 | 0 | 0 | 0 | 113 | P19 | P19-C21 PolarHBondContact O-N 3.3Š| ||
| 22 | S | 31.5 | Very low | 34.3 | Very low | 106 Ų | 106 | 117.4 Ų | 117.4 | 74% | 0.741 | 67% | 0.67 | S | S | * | * | trans | -120.1 | 27.8 | -168.6 | -49.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 23 | R | 32.6 | Very low | 34.1 | Very low | 243 Ų | 243 | 119.8 Ų | 119.8 | 92% | 0.917 | 67% | 0.673 | S | S | * | * | trans | -137.6 | 49.2 | 175.8 | -72.2 | -162 | 178.8 | -161.2 | 1.7 | 113.5 | ||||
| 24 | L | 35.9 | Very low | 33.4 | Very low | 162 Ų | 162 | 120.7 Ų | 120.7 | 85% | 0.848 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -126.3 | 138.1 | 159.3 | -68.3 | 174.2 | 0 | 0 | 0 | 108 | ||
| 25 | I | 29.1 | Very low | 32.7 | Very low | 144 Ų | 144 | 117 Ų | 117 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | trans | 67 | 111.9 | -171.8 | -45.3 | 176.8 | 0 | 0 | 0 | 114.5 | V27 | I25-V27 HydrophobicContact CG2-CG2 3.76Å; I25-V27 PolarHBondContact O-N 3.33Å | ||
| 26 | P | 26.6 | Very low | 32.4 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | trans | -81.4 | 105.3 | 162 | 32.1 | -29.2 | 0 | 0 | 0 | 110 | ||||
| 27 | V | 28.9 | Very low | 31.4 | Very low | 122 Ų | 122 | 124 Ų | 124 | 74% | 0.739 | 72% | 0.723 | S | S | * | * | trans | -93.7 | 113.1 | 166.9 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | I25 S29 | I25-V27 HydrophobicContact CG2-CG2 3.76Å; I25-V27 PolarHBondContact O-N 3.33Å; V27-S29 PolarHBondContact O-N 2.71Å | ||
| 28 | S | 27.2 | Very low | 30.5 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -66.9 | 112 | 176 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | T30 | S28-T30 PolarHBondContact O-N 3.38Å; S28-T30 VanDerWaalsContact O-N 3.16Å | ||
| 29 | S | 26.8 | Very low | 30 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -79.3 | 93.1 | 177.9 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | V27 Q31 | V27-S29 PolarHBondContact O-N 2.71Å; S29-Q31 PolarHBondContact O-N 2.65Å | ||
| 30 | T | 28.2 | Very low | 29.1 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -70.8 | 113.2 | 166.1 | 29.7 | 0 | 0 | 0 | 0 | 110.4 | S28 V32 | S28-T30 PolarHBondContact O-N 3.38Å; S28-T30 VanDerWaalsContact O-N 3.16Å; T30-V32 PolarHBondContact O-N 3.43Å | ||
| 31 | Q | 28.7 | Very low | 28.5 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -65.7 | 112.2 | 178.7 | 174 | 179 | -28.4 | 0 | 0 | 110.9 | S29 | S29-Q31 PolarHBondContact O-N 2.65Š| ||
| 32 | V | 25.9 | Very low | 27.9 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -87.8 | 116.2 | 170.8 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | T30 | T30-V32 PolarHBondContact O-N 3.43Š| ||
| 33 | Q | 29.1 | Very low | 27.6 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | trans | -123.7 | 137.1 | 169.4 | -138 | 166.4 | 5.3 | 0 | 0 | 108.4 | ||||
| 34 | G | 24.7 | Very low | 27.1 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -73.3 | 140.6 | -158.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 35 | G | 25.5 | Very low | 26.7 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -123.3 | 152.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 36 | R | 29.1 | Very low | 26.5 | Very low | 249 Ų | 249 | 136.4 Ų | 136.4 | 94% | 0.94 | 81% | 0.809 | S | S | * | * | trans | -74.8 | 153.3 | -174.6 | -67 | 176.4 | 179.5 | 168.6 | -1 | 112.4 | ||||
| 37 | A | 25.9 | Very low | 26.3 | Very low | 101 Ų | 101 | 138 Ų | 138 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -68.7 | 142.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 38 | L | 28.5 | Very low | 26.1 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -148.9 | 157.1 | 157.5 | -106.4 | 171.5 | 0 | 0 | 0 | 108.9 | ||||
| 39 | S | 26 | Very low | 26.1 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -79.2 | 143.1 | -175 | 43.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 40 | G | 24.5 | Very low | 25.9 | Very low | 79 Ų | 79 | 141.1 Ų | 141.1 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | -161.4 | 134 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 41 | T | 25.7 | Very low | 25.7 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | trans | -95.5 | 165.9 | -172.7 | 44.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 42 | S | 24.9 | Very low | 25.4 | Very low | 94 Ų | 94 | 144 Ų | 144 | 66% | 0.657 | 82% | 0.818 | S | S | * | * | trans | 94 | 133.3 | 140 | 76.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 43 | Q | 25.9 | Very low | 25.3 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | 70.8 | 107.2 | 138.8 | -70.6 | 166.6 | 10.1 | 0 | 0 | 121.4 | ||||
| 44 | W | 22.6 | Very low | 25 | Very low | 230 Ų | 230 | 139 Ų | 139 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | trans | -64.1 | 145.9 | 140.7 | -97.4 | 63 | 0 | 0 | 0 | 111.3 | ||||
| 45 | P | 27.3 | Very low | 25 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -103.4 | 160.5 | 142.5 | -8.6 | 28.2 | 0 | 0 | 0 | 112.1 | ||||
| 46 | Q | 24.9 | Very low | 24.9 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | -127.2 | 170.2 | 179.4 | -157.3 | -173.8 | 10.2 | 0 | 0 | 109.7 | ||||
| 47 | M | 22.6 | Very low | 24.8 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | 73.5 | 156.2 | 167.7 | -62.9 | 177.2 | 60.5 | 0 | 0 | 116.1 | ||||
| 48 | S | 24.7 | Very low | 25 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | cis | -152.3 | 175.5 | 2.4 | 13.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 49 | Q | 25.8 | Very low | 25.2 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -82.3 | 158.4 | -170.4 | -54 | 160.6 | -2.1 | 0 | 0 | 116.5 | ||||
| 50 | S | 24.3 | Very low | 25.2 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -177.4 | 143.5 | 132.5 | 32.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 51 | R | 22.9 | Very low | 25.3 | Very low | 222 Ų | 222 | 142.6 Ų | 142.6 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | cis | 113.8 | 111.1 | 16.8 | -102.8 | -158.8 | 172.6 | -157.3 | -0.7 | 112.8 | ||||
| 52 | V | 23 | Very low | 25.4 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 66.5 | 133.7 | 132.8 | 172.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 53 | C | 23.6 | Very low | 25.7 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | cis | -154.4 | -179.6 | 7 | -142 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 54 | G | 22.5 | Very low | 25.9 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 172.2 | 137.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 55 | S | 25.6 | Very low | 26.3 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -158.3 | 140.7 | -170.5 | 169.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 56 | E | 23.1 | Very low | 26.3 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | trans | -153.4 | 159.3 | 165.6 | -116.5 | 166.5 | -163.1 | 0 | 0 | 112 | ||||
| 57 | Q | 26 | Very low | 26.4 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -156.4 | 167.8 | -164.9 | -58.9 | -174.2 | 6.7 | 0 | 0 | 109 | ||||
| 58 | I | 30 | Very low | 26.6 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | cis | -162.1 | 171.3 | 0.9 | -125.5 | 168.5 | 0 | 0 | 0 | 105.7 | ||||
| 59 | P | 33.5 | Very low | 26.9 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | cis | -116.3 | -165.2 | 9.8 | 16 | 11.2 | 0 | 0 | 0 | 112.5 | ||||
| 60 | G | 24.7 | Very low | 27 | Very low | 70 Ų | 70 | 146.3 Ų | 146.3 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | 127.4 | 121.4 | -9.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 61 | I | 28 | Very low | 27.3 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 86% | 0.862 | 77% | 0.771 | S | S | * | * | trans | -149.5 | 131.3 | 156.5 | -94.4 | 159.4 | 0 | 0 | 0 | 105.5 | ||||
| 62 | D | 26.9 | Very low | 27.7 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | trans | -114.7 | 137.8 | -178.6 | -176.9 | 15.3 | 0 | 0 | 0 | 110.4 | Q64 | D62-Q64 WeakPolarHBondContact OD2-CG 3.41Å; D62-Q64 PolarHBondContact OD2-NE2 3.48Å | ||
| 63 | I | 32.4 | Very low | 28 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -134.3 | 85 | 172.2 | -57.3 | -177.8 | 0 | 0 | 0 | 108.1 | L65 | I63-L65 PolarHBondContact O-N 2.86Š| ||
| 64 | Q | 28.4 | Very low | 28.6 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | -71.2 | 110.7 | 175 | -63.1 | -175.7 | 17.9 | 0 | 0 | 111.7 | D62 N66 | D62-Q64 WeakPolarHBondContact OD2-CG 3.41Å; D62-Q64 PolarHBondContact OD2-NE2 3.48Å; Q64-N66 PolarHBondContact O-N 3.24Å | ||
| 65 | L | 31.2 | Very low | 28.9 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -75.9 | 69.7 | 164.8 | -93 | 164.8 | 0 | 0 | 0 | 111.2 | I63 R67 | I63-L65 PolarHBondContact O-N 2.86Å; L65-R67 PolarHBondContact O-N 3.42Å | ||
| 66 | N | 27.4 | Very low | 29.2 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 60% | 0.599 | 78% | 0.779 | S | S | * | * | trans | -76.4 | 86.1 | -177.9 | -170 | -21.2 | 0 | 0 | 0 | 111.9 | Q64 K68 | Q64-N66 PolarHBondContact O-N 3.24Å; N66-K68 PolarHBondContact O-N 3.35Å | ||
| 67 | R | 27.9 | Very low | 29.6 | Very low | 215 Ų | 215 | 148.4 Ų | 148.4 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -96 | 85.4 | 177.2 | -155 | 173.7 | -159.5 | 163.9 | 6.7 | 111.8 | L65 Y69 | L65-R67 PolarHBondContact O-N 3.42Å; R67-Y69 PolarHBondContact O-N 2.88Å | ||
| 68 | K | 26.9 | Very low | 29.7 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | trans | -59.6 | 124.6 | 174.5 | -67.7 | 177.8 | 179.2 | 173.4 | 0 | 111.6 | N66 | N66-K68 PolarHBondContact O-N 3.35Š| ||
| 69 | Y | 30 | Very low | 29.8 | Very low | 215 Ų | 215 | 151.6 Ų | 151.6 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -87.6 | 118.8 | 163.9 | -72 | -86.6 | 0 | 0 | 0 | 109.4 | R67 A71 | R67-Y69 PolarHBondContact O-N 2.88Å; Y69-A71 PolarHBondContact O-N 3.36Å | ||
| 70 | H | 29.5 | Very low | 29.6 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -78.4 | 101 | 173 | -79.8 | -95.2 | 0 | 0 | 0 | 110.3 | T72 | H70-T72 PolarHBondContact O-N 2.92Š| ||
| 71 | A | 30.2 | Very low | 29.6 | Very low | 103 Ų | 103 | 152.3 Ų | 152.3 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -84.8 | 104.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y69 | Y69-A71 PolarHBondContact O-N 3.36Š| ||
| 72 | T | 30.1 | Very low | 30.1 | Very low | 136 Ų | 136 | 149.5 Ų | 149.5 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 140.9 | 173.2 | 42.2 | 0 | 0 | 0 | 0 | 111.3 | H70 | H70-T72 PolarHBondContact O-N 2.92Š|
| 73 | H | 29.8 | Very low | 30.4 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 154.4 | -168.8 | -158.3 | -90.7 | 0 | 0 | 0 | 112.8 | ||
| 74 | K | 36.5 | Very low | 30.2 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68 | 148.2 | 171 | -73.6 | -175.8 | 178.8 | 178.1 | 0 | 111.6 | ||
| 75 | L | 29.5 | Very low | 30.7 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -135.6 | 167.2 | 150.2 | -142 | 76.3 | 0 | 0 | 0 | 109.1 | ||||
| 76 | S | 31.1 | Very low | 31.3 | Very low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -143.2 | 147.3 | -160.5 | 56.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 77 | T | 31.5 | Very low | 32.3 | Very low | 128 Ų | 128 | 150.9 Ų | 150.9 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 61.5 | 119.2 | 152.4 | 53.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 78 | T | 27.1 | Very low | 33.3 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | -144.9 | 171 | 128 | -19.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 79 | K | 33.3 | Very low | 34.8 | Very low | 215 Ų | 215 | 145.4 Ų | 145.4 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | trans | -104.8 | 156.4 | -174.1 | -65.5 | 174.7 | 174.7 | 176.1 | 0 | 113.1 | ||||
| 80 | G | 28.3 | Very low | 37 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | trans | 162.5 | 129.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 81 | S | 26 | Very low | 39.2 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | 68.5 | 157.2 | 163.9 | -113.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 82 | P | 38.2 | Very low | 41 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -121.9 | 165.1 | -167 | 42.3 | -29.8 | 0 | 0 | 0 | 117 | ||||
| 83 | Q | 32.5 | Very low | 42.9 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 71% | 0.71 | 73% | 0.727 | S | S | * | * | trans | 67.9 | 154.3 | 169 | -69.8 | -75.7 | -29.1 | 0 | 0 | 115.3 | V85 | Q83-V85 VanDerWaalsContact OE1-N 3.1Š| ||
| 84 | P | 28.5 | Very low | 44.8 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | cis | -85.4 | 172.3 | 9.7 | 36.4 | -37.6 | 0 | 0 | 0 | 115 | E86 | P84-E86 PolarHBondContact O-N 3.39Å; P84-E86 VanDerWaalsContact O-N 3.16Å | ||
| 85 | V | 39.2 | Very low | 46.4 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 70% | 0.703 | 70% | 0.696 | S | S | * | * | trans | -75.8 | 91.3 | 164.6 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | Q83 E87 | Q83-V85 VanDerWaalsContact OE1-N 3.1Å; V85-E87 PolarHBondContact O-N 2.82Å | ||
| 86 | E | 43.2 | Very low | 48.1 | Very low | 161 Ų | 161 | 117.6 Ų | 117.6 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | trans | -62 | 121.1 | 155.3 | -82.8 | -164.5 | 131.2 | 0 | 0 | 108.8 | P84 K88 | P84-E86 PolarHBondContact O-N 3.39Å; P84-E86 VanDerWaalsContact O-N 3.16Å; E86-K88 PolarHBondContact O-N 2.9Å | ||
| 87 | E | 49.1 | Very low | 49.7 | Very low | 174 Ų | 174 | 118.2 Ų | 118.2 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | trans | -61 | 109.1 | 165.4 | -175.2 | 176.5 | -174.8 | 0 | 0 | 108 | V85 V89 | V85-E87 PolarHBondContact O-N 2.82Å; E87-V89 PolarHBondContact O-N 3.22Å | ||
| 88 | K | 47.9 | Very low | 51.1 | Low | 193 Ų | 193 | 116.6 Ų | 116.6 | 84% | 0.839 | 66% | 0.655 | S | S | * | * | trans | -72 | 78.5 | -178 | -80.2 | -174.7 | 174.6 | 176.9 | 0 | 110.9 | E86 G90 | E86-K88 PolarHBondContact O-N 2.9Å; K88-G90 PolarHBondContact O-N 3.3Å | ||
| 89 | V | 58.8 | Low | 52.8 | Low | 66 Ų | 66 | 115.5 Ų | 115.5 | 40% | 0.4 | 64% | 0.641 | S | S | . | * | trans | -49.6 | 103.6 | 164.6 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | E87 T93 K94 | E87-V89 PolarHBondContact O-N 3.22Å; V89-T93 HydrophobicContact CG1-CG2 3.76Å; V89-K94 HydrophobicContact CG1-CG 3.97Å; V89-K94 WeakPolarHBondContact O-CE 3.4Å | ||
| 90 | G | 77.1 | Confident | 54 | Low | 32 Ų | 32 | 107.1 Ų | 107.1 | 33% | 0.33 | 62% | 0.616 | S | S | . | * | trans | -59.5 | 151.9 | -164.5 | 0 | 0 | 0 | 0 | 0 | 112 | K88 F92 T93 K94 | K88-G90 PolarHBondContact O-N 3.3Å; G90-F92 PolarHBondContact O-N 3.41Å; G90-F92 VanDerWaalsContact O-N 3.09Å; G90-T93 WeakPolarHBondContact O-CA 3.46Å; G90-T93 WeakPolarHBondContact O-CB 3.44Å; G90-T93 PolarHBondContact O-N 2.85Å; G90-K94 PolarHBondContact O-N 3.09Å | ||
| 91 | A | 75.2 | Confident | 55.5 | Low | 77 Ų | 77 | 110.5 Ų | 110.5 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -53.1 | -35.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K94 I95 | A91-K94 PolarHBondContact O-N 2.91Å; A91-I95 WeakPolarHBondContact O-CB 3.41Å; A91-I95 WeakPolarHBondContact O-CD1 3.27Å; A91-I95 WeakPolarHBondContact O-CG1 3.37Å; A91-I95 PolarHBondContact O-N 2.98Å |
| 92 | F | 67.9 | Low | 57 | Low | 158 Ų | 158 | 107.4 Ų | 107.4 | 69% | 0.693 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.2 | -45.1 | 172.5 | -167 | -120.5 | 0 | 0 | 0 | 112.9 | G90 I95 I96 | G90-F92 PolarHBondContact O-N 3.41Å; G90-F92 VanDerWaalsContact O-N 3.09Å; F92-I95 PolarHBondContact O-N 2.87Å; F92-I96 HydrophobicContact CD1-CD1 3.62Å; F92-I96 HydrophobicContact CD2-CD1 4.47Å; F92-I96 HydrophobicContact CE1-CD1 3.47Å; F92-I96 VanDerWaalsContact CE1-CD1 3.47Å; F92-I96 HydrophobicContact CE2-CD1 4.34Å; F92-I96 HydrophobicContact CG-CD1 4.14Å; F92-I96 HydrophobicContact CZ-CD1 3.86Å; F92-I96 WeakPolarHBondContact O-CB 3.26Å; F92-I96 VanDerWaalsContact O-CG1 3.22Å; F92-I96 WeakPolarHBondContact O-CG1 3.46Å; F92-I96 PolarHBondContact O-N 3.24Å |
| 93 | T | 70.6 | Confident | 58.3 | Low | 59 Ų | 59 | 104 Ų | 104 | 36% | 0.362 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62 | -44.5 | 174.4 | -49 | 0 | 0 | 0 | 0 | 111.5 | V89 G90 I95 I96 E97 T102 | V89-T93 HydrophobicContact CG1-CG2 3.76Å; G90-T93 WeakPolarHBondContact O-CA 3.46Å; G90-T93 WeakPolarHBondContact O-CB 3.44Å; G90-T93 PolarHBondContact O-N 2.85Å; T93-I95 VanDerWaalsContact C-N 3.32Å; T93-I95 PolarHBondContact O-N 3.39Å; T93-I96 PolarHBondContact O-N 3.44Å; T93-E97 VanDerWaalsContact O-CB 3.28Å; T93-E97 WeakPolarHBondContact O-CB 3.34Å; T93-E97 PolarHBondContact O-N 2.81Å; T93-T102 HydrophobicContact CG2-CG2 4.43Å |
| 94 | K | 69.8 | Low | 60.4 | Low | 129 Ų | 129 | 102.7 Ų | 102.7 | 56% | 0.561 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64 | -34.8 | 176.9 | -63.1 | -166.3 | 179 | -170.2 | 0 | 112.6 | V89 G90 A91 A98 | V89-K94 HydrophobicContact CG1-CG 3.97Å; V89-K94 WeakPolarHBondContact O-CE 3.4Å; G90-K94 PolarHBondContact O-N 3.09Å; A91-K94 PolarHBondContact O-N 2.91Å; K94-A98 WeakPolarHBondContact O-CB 3.28Å; K94-A98 PolarHBondContact O-N 3.46Å |
| 95 | I | 70.3 | Confident | 63.1 | Low | 88 Ų | 88 | 99.2 Ų | 99.2 | 45% | 0.451 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.3 | -45.9 | 172.5 | -70.6 | 162.4 | 0 | 0 | 0 | 110.9 | A91 F92 T93 E97 A98 M99 | A91-I95 WeakPolarHBondContact O-CB 3.41Å; A91-I95 WeakPolarHBondContact O-CD1 3.27Å; A91-I95 WeakPolarHBondContact O-CG1 3.37Å; A91-I95 PolarHBondContact O-N 2.98Å; F92-I95 PolarHBondContact O-N 2.87Å; T93-I95 VanDerWaalsContact C-N 3.32Å; T93-I95 PolarHBondContact O-N 3.39Å; I95-E97 VanDerWaalsContact C-N 3.27Å; I95-E97 PolarHBondContact O-N 3.46Å; I95-A98 PolarHBondContact O-N 3.03Å; I95-M99 HydrophobicContact CG2-CE 3.77Å; I95-M99 HydrophobicContact CG2-SD 4.08Å; I95-M99 WeakPolarHBondContact O-CB 3.38Å; I95-M99 VanDerWaalsContact O-CG 3.27Å; I95-M99 WeakPolarHBondContact O-CG 3.41Å; I95-M99 PolarHBondContact O-N 2.65Å |
| 96 | I | 65.3 | Low | 65.3 | Low | 46 Ų | 46 | 99.4 Ų | 99.4 | 24% | 0.236 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 176.9 | -70.1 | 170.7 | 0 | 0 | 0 | 111 | F92 T93 M99 G100 F101 T102 | F92-I96 HydrophobicContact CD1-CD1 3.62Å; F92-I96 HydrophobicContact CD2-CD1 4.47Å; F92-I96 HydrophobicContact CE1-CD1 3.47Å; F92-I96 VanDerWaalsContact CE1-CD1 3.47Å; F92-I96 HydrophobicContact CE2-CD1 4.34Å; F92-I96 HydrophobicContact CG-CD1 4.14Å; F92-I96 HydrophobicContact CZ-CD1 3.86Å; F92-I96 WeakPolarHBondContact O-CB 3.26Å; F92-I96 VanDerWaalsContact O-CG1 3.22Å; F92-I96 WeakPolarHBondContact O-CG1 3.46Å; F92-I96 PolarHBondContact O-N 3.24Å; T93-I96 PolarHBondContact O-N 3.44Å; I96-M99 CarbonylContact O-C 3.46Å; I96-M99 PolarHBondContact O-N 3.21Å; I96-G100 PolarHBondContact O-N 3.22Å; I96-F101 HydrophobicContact CG2-CB 3.41Å; I96-F101 VanDerWaalsContact CG2-CB 3.41Å; I96-F101 WeakPolarHBondContact O-CB 3.39Å; I96-F101 PolarHBondContact O-N 3.02Å; I96-T102 HydrophobicContact CG2-CG2 3.75Å |
| 97 | E | 64.1 | Low | 67.6 | Low | 111 Ų | 111 | 93.5 Ų | 93.5 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.5 | -44.8 | 176.6 | -172.1 | 158 | -134.6 | 0 | 0 | 112.3 | T93 I95 M99 G100 T102 | T93-E97 VanDerWaalsContact O-CB 3.28Å; T93-E97 WeakPolarHBondContact O-CB 3.34Å; T93-E97 PolarHBondContact O-N 2.81Å; I95-E97 VanDerWaalsContact C-N 3.27Å; I95-E97 PolarHBondContact O-N 3.46Å; E97-M99 PolarHBondContact O-N 3.21Å; E97-G100 WeakPolarHBondContact O-CA 3.35Å; E97-G100 PolarHBondContact O-N 3.22Å; E97-T102 VanDerWaalsContact CA-OG1 3.26Å; E97-T102 WeakPolarHBondContact CA-OG1 3.48Å; E97-T102 WeakPolarHBondContact CB-OG1 3.49Å |
| 98 | A | 59.8 | Low | 69.7 | Low | 93 Ų | 93 | 88.4 Ų | 88.4 | 77% | 0.769 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.7 | -29.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K94 I95 G100 | K94-A98 WeakPolarHBondContact O-CB 3.28Å; K94-A98 PolarHBondContact O-N 3.46Å; I95-A98 PolarHBondContact O-N 3.03Å; A98-G100 PolarHBondContact O-N 3.19Å |
| 99 | M | 64 | Low | 71.9 | Confident | 130 Ų | 130 | 85.6 Ų | 85.6 | 64% | 0.64 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 0.1 | 169.6 | -70.2 | 178.6 | 178 | 0 | 0 | 113.6 | I95 I96 E97 F101 | I95-M99 HydrophobicContact CG2-CE 3.77Å; I95-M99 HydrophobicContact CG2-SD 4.08Å; I95-M99 WeakPolarHBondContact O-CB 3.38Å; I95-M99 VanDerWaalsContact O-CG 3.27Å; I95-M99 WeakPolarHBondContact O-CG 3.41Å; I95-M99 PolarHBondContact O-N 2.65Å; I96-M99 CarbonylContact O-C 3.46Å; I96-M99 PolarHBondContact O-N 3.21Å; E97-M99 PolarHBondContact O-N 3.21Å; M99-F101 HydrophobicContact CB-CD2 4.35Å; M99-F101 PolarHBondContact O-N 3.36Å |
| 100 | G | 58.3 | Low | 73.6 | Confident | 40 Ų | 40 | 91 Ų | 91 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 23.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I96 E97 A98 R165 | I96-G100 PolarHBondContact O-N 3.22Å; E97-G100 WeakPolarHBondContact O-CA 3.35Å; E97-G100 PolarHBondContact O-N 3.22Å; A98-G100 PolarHBondContact O-N 3.19Å; G100-R165 PolarHBondContact O-NH1 3.45Å |
| 101 | F | 59 | Low | 74.6 | Confident | 144 Ų | 144 | 95.2 Ų | 95.2 | 63% | 0.632 | 51% | 0.506 | S | S | * | . | trans | -95 | -15 | -173.1 | -104.4 | -95.8 | 0 | 0 | 0 | 115.8 | I96 M99 R165 | I96-F101 HydrophobicContact CG2-CB 3.41Å; I96-F101 VanDerWaalsContact CG2-CB 3.41Å; I96-F101 WeakPolarHBondContact O-CB 3.39Å; I96-F101 PolarHBondContact O-N 3.02Å; M99-F101 HydrophobicContact CB-CD2 4.35Å; M99-F101 PolarHBondContact O-N 3.36Å; F101-R165 VanDerWaalsContact CA-NH1 3.28Å; F101-R165 VanDerWaalsContact O-CZ 3.29Å; F101-R165 PolarHBondContact O-NH1 2.93Å; F101-R165 PolarHBondContact O-NH2 3.12Å | ||
| 102 | T | 57.8 | Low | 75.6 | Confident | 66 Ų | 66 | 91.6 Ų | 91.6 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -94.2 | -35.6 | -178.7 | 32.6 | 0 | 0 | 0 | 0 | 116.9 | T93 I96 E97 | T93-T102 HydrophobicContact CG2-CG2 4.43Å; I96-T102 HydrophobicContact CG2-CG2 3.75Å; E97-T102 VanDerWaalsContact CA-OG1 3.26Å; E97-T102 WeakPolarHBondContact CA-OG1 3.48Å; E97-T102 WeakPolarHBondContact CB-OG1 3.49Å |
| 103 | G | 66.6 | Low | 77 | Confident | 37 Ų | 37 | 88.2 Ų | 88.2 | 38% | 0.381 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -62.4 | 172.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | R165 | G103-R165 PolarHBondContact O-NE 3.41Å; G103-R165 PolarHBondContact O-NH1 2.65Å; G103-R165 PolarHBondContact O-NH2 2.8Å |
| 104 | P | 76.2 | Confident | 78.3 | Confident | 123 Ų | 123 | 88.8 Ų | 88.8 | 80% | 0.799 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 166.4 | 170.5 | 28.7 | -34.3 | 0 | 0 | 0 | 112.4 | ||
| 105 | L | 85.4 | Confident | 79.7 | Confident | 40 Ų | 40 | 82.7 Ų | 82.7 | 21% | 0.209 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 144 | 168.1 | -69.8 | 165.9 | 0 | 0 | 0 | 109.4 | Y107 K109 R165 Y169 | L105-Y107 WeakPolarHBondContact CB-O 3.29Å; L105-Y107 PolarHBondContact O-N 3.48Å; L105-K109 HydrophobicContact CD1-CG 3.63Å; L105-R165 HydrophobicContact CD2-CG 3.8Å; L105-Y169 HydrophobicContact CD1-CD1 3.92Å; L105-Y169 HydrophobicContact CD1-CE1 4.31Å; L105-Y169 HydrophobicContact CD1-CG 4.11Å; L105-Y169 HydrophobicContact CD2-CG 4.47Å |
| 106 | K | 85.3 | Confident | 81 | Confident | 120 Ų | 120 | 78.5 Ų | 78.5 | 52% | 0.522 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -59.1 | -32 | 179.7 | -171.5 | 177.1 | 177.8 | 179.1 | 0 | 112.8 | S166 E264 | K106-S166 WeakPolarHBondContact CB-OG 3.42Å; K106-S166 PolarHBondContact N-OG 3.49Å; K106-E264 WeakPolarHBondContact CE-OE2 3.32Å; K106-E264 IonicContact NZ-OE1 3.25Å; K106-E264 PolarHBondContact NZ-OE1 2.88Å; K106-E264 IonicContact NZ-OE2 3.89Å; K106-E264 PolarHBondContact NZ-OE2 3.23Å |
| 107 | Y | 90.5 | Very high | 82.6 | Confident | 38 Ų | 38 | 79.9 Ų | 79.9 | 15% | 0.149 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -129 | 159.7 | 175.1 | -44.9 | -65.4 | 0 | 0 | 0 | 110.6 | L105 E264 L267 L268 | L105-Y107 WeakPolarHBondContact CB-O 3.29Å; L105-Y107 PolarHBondContact O-N 3.48Å; Y107-E264 PolarHBondContact OH-OE2 3.2Å; Y107-L267 HydrophobicContact CD2-CB 3.86Å; Y107-L267 HydrophobicContact CD2-CD1 4.12Å; Y107-L267 HydrophobicContact CE2-CB 3.62Å; Y107-L267 HydrophobicContact CE2-CD1 3.65Å; Y107-L267 HydrophobicContact CE2-CG 4.29Å; Y107-L268 HydrophobicContact CD1-CD2 3.74Å; Y107-L268 HydrophobicContact CD1-CG 4.45Å; Y107-L268 HydrophobicContact CD2-CD2 4.17Å; Y107-L268 HydrophobicContact CD2-CG 4.44Å; Y107-L268 HydrophobicContact CE1-CD1 4.19Å; Y107-L268 HydrophobicContact CE1-CD2 3.99Å; Y107-L268 HydrophobicContact CE1-CG 4.24Å; Y107-L268 HydrophobicContact CE2-CD2 4.4Å; Y107-L268 HydrophobicContact CE2-CG 4.25Å; Y107-L268 HydrophobicContact CG-CD2 3.84Å |
| 108 | S | 94.1 | Very high | 84.3 | Confident | 66 Ų | 66 | 80.2 Ų | 80.2 | 46% | 0.462 | 42% | 0.417 | S | S | . | . | trans | -65 | 144.7 | -178.1 | 72.2 | 0 | 0 | 0 | 0 | 112 | W110 K111 I112 | S108-W110 PolarHBondContact O-N 3.41Å; S108-W110 VanDerWaalsContact O-N 3.07Å; S108-K111 PolarHBondContact O-N 2.85Å; S108-I112 PolarHBondContact O-N 2.72Å; S108-I112 VanDerWaalsContact O-N 3.15Å | ||
| 109 | K | 94.2 | Very high | 86.1 | Confident | 135 Ų | 135 | 75.9 Ų | 75.9 | 59% | 0.587 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -52.2 | -34.5 | -179.5 | -69 | 178.9 | -178.4 | 173.1 | 0 | 112.9 | L105 K113 Y169 | L105-K109 HydrophobicContact CD1-CG 3.63Å; K109-K113 VanDerWaalsContact O-CB 3.32Å; K109-K113 WeakPolarHBondContact O-CB 3.17Å; K109-K113 PolarHBondContact O-N 2.83Å; K109-Y169 HydrophobicContact CB-CE1 3.94Å; K109-Y169 HydrophobicContact CG-CE1 3.93Å |
| 110 | W | 95.3 | Very high | 87.8 | Confident | 180 Ų | 180 | 70 Ų | 70 | 68% | 0.682 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.2 | -43.7 | 178.2 | -174.1 | -97.2 | 0 | 0 | 0 | 113 | S108 K113 I114 | S108-W110 PolarHBondContact O-N 3.41Å; S108-W110 VanDerWaalsContact O-N 3.07Å; W110-K113 PolarHBondContact O-N 3.42Å; W110-I114 PolarHBondContact O-N 2.78Å |
| 111 | K | 96 | Very high | 89.7 | Confident | 120 Ų | 120 | 70.5 Ų | 70.5 | 52% | 0.522 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 174.2 | -76.1 | -172.8 | 174.7 | -170.9 | 0 | 110.8 | S108 K113 I114 A115 L268 | S108-K111 PolarHBondContact O-N 2.85Å; K111-K113 VanDerWaalsContact C-N 3.26Å; K111-K113 PolarHBondContact O-N 2.77Å; K111-I114 PolarHBondContact O-N 3.25Å; K111-I114 VanDerWaalsContact O-N 3.11Å; K111-A115 PolarHBondContact O-N 2.81Å; K111-L268 HydrophobicContact CD-CD2 4.27Å |
| 112 | I | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.8 | -32.8 | 178.3 | -56.6 | 172.3 | 0 | 0 | 0 | 111.2 | S108 A116 Y169 M170 | S108-I112 PolarHBondContact O-N 2.72Å; S108-I112 VanDerWaalsContact O-N 3.15Å; I112-A116 VanDerWaalsContact O-CB 3.22Å; I112-A116 WeakPolarHBondContact O-CB 3.48Å; I112-A116 PolarHBondContact O-N 2.86Å; I112-Y169 HydrophobicContact CB-CD1 4.12Å; I112-Y169 HydrophobicContact CB-CE1 4.34Å; I112-Y169 HydrophobicContact CD1-CD1 4.15Å; I112-Y169 HydrophobicContact CG2-CD1 3.82Å; I112-Y169 HydrophobicContact CG2-CE1 4.37Å; I112-M170 HydrophobicContact CG2-CB 3.55Å; I112-M170 HydrophobicContact CG2-CG 3.81Å |
| 113 | K | 98 | Very high | 93.4 | Very high | 87 Ų | 87 | 60.6 Ų | 60.6 | 38% | 0.378 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 174.1 | -176.8 | 174.3 | -177.4 | -178 | 0 | 112.9 | K109 W110 K111 L117 I173 F177 | K109-K113 VanDerWaalsContact O-CB 3.32Å; K109-K113 WeakPolarHBondContact O-CB 3.17Å; K109-K113 PolarHBondContact O-N 2.83Å; W110-K113 PolarHBondContact O-N 3.42Å; K111-K113 VanDerWaalsContact C-N 3.26Å; K111-K113 PolarHBondContact O-N 2.77Å; K113-L117 PolarHBondContact O-N 2.82Å; K113-I173 HydrophobicContact CB-CG2 4.44Å; K113-I173 HydrophobicContact CG-CG2 4.03Å; K113-F177 HydrophobicContact CG-CE2 4.22Å; K113-F177 HydrophobicContact CG-CZ 4.04Å |
| 114 | I | 98.1 | Very high | 94.8 | Very high | 72 Ų | 72 | 59.6 Ų | 59.6 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | 174.4 | -71 | 172.3 | 0 | 0 | 0 | 110.6 | W110 K111 L117 R118 | W110-I114 PolarHBondContact O-N 2.78Å; K111-I114 PolarHBondContact O-N 3.25Å; K111-I114 VanDerWaalsContact O-N 3.11Å; I114-L117 PolarHBondContact O-N 3.28Å; I114-R118 WeakPolarHBondContact O-CG 3.21Å; I114-R118 PolarHBondContact O-N 3.49Å |
| 115 | A | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K111 L117 R118 M119 M170 L267 G270 | K111-A115 PolarHBondContact O-N 2.81Å; A115-L117 VanDerWaalsContact C-N 3.3Å; A115-L117 PolarHBondContact O-N 2.94Å; A115-R118 PolarHBondContact O-N 2.9Å; A115-M119 WeakPolarHBondContact O-CB 3.42Å; A115-M119 PolarHBondContact O-N 2.89Å; A115-M170 HydrophobicContact CB-CE 3.82Å; A115-L267 WeakPolarHBondContact CB-O 3.35Å; A115-G270 VanDerWaalsContact O-CA 3.3Å; A115-G270 WeakPolarHBondContact O-CA 3.38Å |
| 116 | A | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.9 | -37.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I112 Y120 M170 I173 I174 F177 | I112-A116 VanDerWaalsContact O-CB 3.22Å; I112-A116 WeakPolarHBondContact O-CB 3.48Å; I112-A116 PolarHBondContact O-N 2.86Å; A116-Y120 WeakPolarHBondContact O-CB 3.17Å; A116-Y120 PolarHBondContact O-N 2.99Å; A116-M170 HydrophobicContact CB-CG 3.83Å; A116-I173 HydrophobicContact CB-CB 3.67Å; A116-I173 HydrophobicContact CB-CG2 3.47Å; A116-I173 VanDerWaalsContact CB-CG2 3.47Å; A116-I174 HydrophobicContact CB-CG1 3.91Å; A116-F177 HydrophobicContact CB-CE2 4.48Å |
| 117 | L | 98.4 | Very high | 96.7 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 40% | 0.398 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.5 | -50.4 | 174.2 | -179.9 | 56 | 0 | 0 | 0 | 111 | K113 I114 A115 M119 Y120 T121 F177 | K113-L117 PolarHBondContact O-N 2.82Å; I114-L117 PolarHBondContact O-N 3.28Å; A115-L117 VanDerWaalsContact C-N 3.3Å; A115-L117 PolarHBondContact O-N 2.94Å; L117-M119 VanDerWaalsContact C-N 3.32Å; L117-M119 PolarHBondContact O-N 3.45Å; L117-Y120 PolarHBondContact O-N 3.09Å; L117-T121 PolarHBondContact O-N 3.12Å; L117-T121 PolarHBondContact O-OG1 2.95Å; L117-T121 VanDerWaalsContact O-OG1 3.07Å; L117-F177 HydrophobicContact CB-CD2 4.04Å; L117-F177 HydrophobicContact CB-CE2 3.53Å; L117-F177 HydrophobicContact CB-CZ 3.85Å; L117-F177 HydrophobicContact CD1-CD1 3.89Å; L117-F177 HydrophobicContact CD1-CD2 4.1Å; L117-F177 HydrophobicContact CD1-CE1 3.93Å; L117-F177 HydrophobicContact CD1-CE2 4.13Å; L117-F177 HydrophobicContact CD1-CG 3.97Å; L117-F177 HydrophobicContact CD1-CZ 4.04Å; L117-F177 HydrophobicContact CD2-CZ 4.4Å; L117-F177 HydrophobicContact CG-CE2 4.35Å; L117-F177 HydrophobicContact CG-CZ 4.32Å |
| 118 | R | 98.5 | Very high | 96.9 | Very high | 117 Ų | 117 | 60 Ų | 60 | 44% | 0.442 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 179.7 | -70.4 | 169.1 | 166.3 | -150.7 | -6.7 | 112.5 | I114 A115 T121 S122 T269 G270 E271 | I114-R118 WeakPolarHBondContact O-CG 3.21Å; I114-R118 PolarHBondContact O-N 3.49Å; A115-R118 PolarHBondContact O-N 2.9Å; R118-T121 WeakPolarHBondContact O-CB 3.46Å; R118-T121 PolarHBondContact O-N 3.2Å; R118-S122 PolarHBondContact O-N 3.39Å; R118-S122 PolarHBondContact O-OG 3.43Å; R118-T269 WeakPolarHBondContact CD-O 3.32Å; R118-T269 PolarHBondContact NH1-O 3.47Å; R118-T269 VanDerWaalsContact NH1-O 3.12Å; R118-G270 CarbonylContact C-O 3.56Å; R118-E271 IonicContact CZ-OE1 3.95Å; R118-E271 IonicContact NH1-OE1 3.72Å; R118-E271 PolarHBondContact NH1-OE1 3.12Å |
| 119 | M | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.8 | -39 | 176.2 | -175 | 174.1 | -81.5 | 0 | 0 | 111.5 | A115 L117 S122 C123 C156 M160 M170 I174 L266 G270 V272 | A115-M119 WeakPolarHBondContact O-CB 3.42Å; A115-M119 PolarHBondContact O-N 2.89Å; L117-M119 VanDerWaalsContact C-N 3.32Å; L117-M119 PolarHBondContact O-N 3.45Å; M119-S122 WeakPolarHBondContact CA-OG 3.27Å; M119-S122 PolarHBondContact O-N 3.29Å; M119-S122 PolarHBondContact O-OG 3.34Å; M119-C123 PolarHBondContact O-N 2.71Å; M119-C123 PolarHBondContact O-SG 2.74Å; M119-C156 HydrophobicContact CG-CB 4.12Å; M119-C156 HydrophobicContact SD-CB 3.8Å; M119-M160 HydrophobicContact CE-CG 3.98Å; M119-M160 HydrophobicContact CE-SD 3.81Å; M119-M160 HydrophobicContact SD-CG 3.78Å; M119-M160 HydrophobicContact SD-SD 4.43Å; M119-M170 HydrophobicContact CB-CE 3.98Å; M119-M170 HydrophobicContact CE-CE 3.61Å; M119-M170 HydrophobicContact CG-CE 4.45Å; M119-M170 HydrophobicContact SD-CE 3.61Å; M119-I174 HydrophobicContact CG-CD1 4.2Å; M119-I174 HydrophobicContact SD-CD1 3.51Å; M119-I174 VanDerWaalsContact SD-CD1 3.51Å; M119-L266 HydrophobicContact CE-CB 4.19Å; M119-L266 HydrophobicContact CE-CD1 4.47Å; M119-L266 HydrophobicContact CE-CD2 3.9Å; M119-L266 HydrophobicContact CE-CG 4.42Å; M119-G270 WeakPolarHBondContact CA-O 3.46Å; M119-G270 WeakPolarHBondContact CB-O 3.27Å; M119-G270 PolarHBondContact N-O 2.96Å; M119-G270 VanDerWaalsContact N-O 3.07Å; M119-V272 HydrophobicContact CE-CG2 3.68Å; M119-V272 HydrophobicContact CG-CG2 4.02Å |
| 120 | Y | 98.6 | Very high | 97 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 171.2 | -179 | -103.9 | 0 | 0 | 0 | 111.7 | A116 L117 S122 C123 V124 T149 V153 I174 F177 M178 D181 | A116-Y120 WeakPolarHBondContact O-CB 3.17Å; A116-Y120 PolarHBondContact O-N 2.99Å; L117-Y120 PolarHBondContact O-N 3.09Å; Y120-S122 VanDerWaalsContact C-N 3.28Å; Y120-S122 PolarHBondContact O-N 2.92Å; Y120-C123 WeakPolarHBondContact O-CA 3.39Å; Y120-C123 VanDerWaalsContact O-CB 3.27Å; Y120-C123 WeakPolarHBondContact O-CB 3.49Å; Y120-C123 PolarHBondContact O-N 3.42Å; Y120-V124 HydrophobicContact CE1-CG1 4.21Å; Y120-V124 HydrophobicContact CE1-CG2 4.14Å; Y120-V124 HydrophobicContact CE2-CG1 4.14Å; Y120-V124 PolarHBondContact O-N 2.81Å; Y120-V124 WeakPolarHBondContact OH-CG1 3.44Å; Y120-T149 HydrophobicContact CE2-CG2 3.97Å; Y120-V153 HydrophobicContact CD2-CG2 3.84Å; Y120-V153 HydrophobicContact CE2-CG2 3.88Å; Y120-I174 HydrophobicContact CD2-CG2 4.45Å; Y120-F177 HydrophobicContact CD1-CB 3.87Å; Y120-F177 HydrophobicContact CG-CB 3.94Å; Y120-M178 HydrophobicContact CD2-CB 4.04Å; Y120-M178 VanDerWaalsContact CE2-CA 3.46Å; Y120-M178 HydrophobicContact CE2-CB 3.54Å; Y120-M178 HydrophobicContact CE2-CG 3.91Å; Y120-D181 HydrophobicContact CE1-CB 3.79Å; Y120-D181 WeakPolarHBondContact OH-CB 3.39Å; Y120-D181 PolarHBondContact OH-OD2 3.22Å |
| 121 | T | 98 | Very high | 97 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 30% | 0.301 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.9 | -40.9 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | L117 R118 C123 V124 E125 | L117-T121 PolarHBondContact O-N 3.12Å; L117-T121 PolarHBondContact O-OG1 2.95Å; L117-T121 VanDerWaalsContact O-OG1 3.07Å; R118-T121 WeakPolarHBondContact O-CB 3.46Å; R118-T121 PolarHBondContact O-N 3.2Å; T121-C123 VanDerWaalsContact C-N 3.29Å; T121-C123 PolarHBondContact O-N 2.8Å; T121-V124 PolarHBondContact O-N 3.44Å; T121-V124 VanDerWaalsContact O-N 3.1Å; T121-E125 HydrophobicContact CG2-CB 4.33Å; T121-E125 HydrophobicContact CG2-CG 3.95Å; T121-E125 VanDerWaalsContact CG2-OE2 3.29Å; T121-E125 WeakPolarHBondContact CG2-OE2 3.48Å; T121-E125 WeakPolarHBondContact O-CB 3.42Å; T121-E125 PolarHBondContact O-N 3.31Å |
| 122 | S | 97.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -33.1 | 175.2 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | R118 M119 Y120 V124 K126 W274 | R118-S122 PolarHBondContact O-N 3.39Å; R118-S122 PolarHBondContact O-OG 3.43Å; M119-S122 WeakPolarHBondContact CA-OG 3.27Å; M119-S122 PolarHBondContact O-N 3.29Å; M119-S122 PolarHBondContact O-OG 3.34Å; Y120-S122 VanDerWaalsContact C-N 3.28Å; Y120-S122 PolarHBondContact O-N 2.92Å; S122-V124 PolarHBondContact O-N 3.44Å; S122-K126 WeakPolarHBondContact O-CB 3.41Å; S122-K126 PolarHBondContact O-N 2.86Å; S122-K126 VanDerWaalsContact O-N 3.11Å; S122-W274 PolarHBondContact O-NE1 3.21Å |
| 123 | C | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.5 | -22.4 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 113.4 | M119 Y120 T121 T127 F129 H152 V153 | M119-C123 PolarHBondContact O-N 2.71Å; M119-C123 PolarHBondContact O-SG 2.74Å; Y120-C123 WeakPolarHBondContact O-CA 3.39Å; Y120-C123 VanDerWaalsContact O-CB 3.27Å; Y120-C123 WeakPolarHBondContact O-CB 3.49Å; Y120-C123 PolarHBondContact O-N 3.42Å; T121-C123 VanDerWaalsContact C-N 3.29Å; T121-C123 PolarHBondContact O-N 2.8Å; C123-T127 PolarHBondContact O-OG1 3.41Å; C123-F129 WeakPolarHBondContact O-CZ 3.34Å; C123-H152 HydrophobicContact CB-CB 3.95Å; C123-V153 HydrophobicContact CB-CG2 4.16Å |
| 124 | V | 96.7 | Very high | 96.8 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -118.5 | -8.1 | -174.3 | -60 | 0 | 0 | 0 | 0 | 115 | Y120 T121 S122 W145 T149 | Y120-V124 HydrophobicContact CE1-CG1 4.21Å; Y120-V124 HydrophobicContact CE1-CG2 4.14Å; Y120-V124 HydrophobicContact CE2-CG1 4.14Å; Y120-V124 PolarHBondContact O-N 2.81Å; Y120-V124 WeakPolarHBondContact OH-CG1 3.44Å; T121-V124 PolarHBondContact O-N 3.44Å; T121-V124 VanDerWaalsContact O-N 3.1Å; S122-V124 PolarHBondContact O-N 3.44Å; V124-W145 HydrophobicContact CG1-CZ2 3.97Å; V124-T149 HydrophobicContact CG1-CG2 3.52Å |
| 125 | E | 94.8 | Very high | 96.6 | Very high | 108 Ų | 108 | 48 Ų | 48 | 51% | 0.505 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -127.3 | -20.6 | 179.1 | -54.4 | -151.7 | 120.2 | 0 | 0 | 114.9 | M1 T121 | M1-E125 PolarHBondContact N-OE1 2.87Å; T121-E125 HydrophobicContact CG2-CB 4.33Å; T121-E125 HydrophobicContact CG2-CG 3.95Å; T121-E125 VanDerWaalsContact CG2-OE2 3.29Å; T121-E125 WeakPolarHBondContact CG2-OE2 3.48Å; T121-E125 WeakPolarHBondContact O-CB 3.42Å; T121-E125 PolarHBondContact O-N 3.31Å |
| 126 | K | 95.2 | Very high | 96.4 | Very high | 113 Ų | 113 | 48.3 Ų | 48.3 | 49% | 0.491 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -103 | -4.4 | 174.7 | -60.4 | -172.3 | -170.4 | 177.3 | 0 | 113.7 | S122 V272 | S122-K126 WeakPolarHBondContact O-CB 3.41Å; S122-K126 PolarHBondContact O-N 2.86Å; S122-K126 VanDerWaalsContact O-N 3.11Å; K126-V272 WeakPolarHBondContact CD-O 3.29Å; K126-V272 PolarHBondContact NZ-O 2.84Å |
| 127 | T | 95.8 | Very high | 96.1 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 8% | 0.08 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -85.5 | 131.7 | 174.9 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | C123 F129 F132 I148 H152 W274 | C123-T127 PolarHBondContact O-OG1 3.41Å; T127-F129 HydrophobicContact CG2-CD2 4.14Å; T127-F129 HydrophobicContact CG2-CE2 4Å; T127-F129 HydrophobicContact CG2-CZ 4.25Å; T127-F129 VanDerWaalsContact O-CD2 3.23Å; T127-F129 WeakPolarHBondContact O-CD2 3.38Å; T127-F129 PolarHBondContact O-N 2.8Å; T127-F132 HydrophobicContact CG2-CD2 4.18Å; T127-F132 HydrophobicContact CG2-CE2 4.01Å; T127-I148 HydrophobicContact CG2-CG2 3.9Å; T127-H152 WeakPolarHBondContact CG2-CE1 3.42Å; T127-H152 WeakPolarHBondContact CG2-NE2 3.29Å; T127-H152 PolarHBondContact OG1-CD2 3.39Å; T127-H152 VanDerWaalsContact OG1-CD2 3.31Å; T127-H152 PolarHBondContact OG1-NE2 3.19Å; T127-W274 PolarHBondContact OG1-NE1 3.37Å |
| 128 | D | 95.2 | Very high | 95.8 | Very high | 96 Ų | 96 | 52.4 Ų | 52.4 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | trans | -80.2 | 81.4 | 173.3 | -170.3 | -17.9 | 0 | 0 | 0 | 110.9 | E130 E131 F132 | D128-E130 PolarHBondContact O-N 3.23Å; D128-E130 PolarHBondContact OD1-N 2.98Å; D128-E130 VanDerWaalsContact OD1-N 3.1Å; D128-E131 HydrophobicContact CB-CB 4.45Å; D128-E131 PolarHBondContact OD1-N 3.24Å; D128-F132 WeakPolarHBondContact O-CD2 3.47Å; D128-F132 PolarHBondContact O-N 3.43Å | ||
| 129 | F | 95.4 | Very high | 95.5 | Very high | 22 Ų | 22 | 50.7 Ų | 50.7 | 10% | 0.096 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.4 | -23.1 | 177.3 | -71.7 | -92.6 | 0 | 0 | 0 | 113.2 | C123 T127 F132 F133 W145 I148 | C123-F129 WeakPolarHBondContact O-CZ 3.34Å; T127-F129 HydrophobicContact CG2-CD2 4.14Å; T127-F129 HydrophobicContact CG2-CE2 4Å; T127-F129 HydrophobicContact CG2-CZ 4.25Å; T127-F129 VanDerWaalsContact O-CD2 3.23Å; T127-F129 WeakPolarHBondContact O-CD2 3.38Å; T127-F129 PolarHBondContact O-N 2.8Å; F129-F132 PolarHBondContact O-N 3.35Å; F129-F133 HydrophobicContact CB-CE2 4.31Å; F129-F133 HydrophobicContact CB-CZ 4.23Å; F129-F133 WeakPolarHBondContact O-CD1 3.35Å; F129-F133 WeakPolarHBondContact O-CD2 3.41Å; F129-F133 WeakPolarHBondContact O-CG 3.4Å; F129-F133 PolarHBondContact O-N 2.85Å; F129-W145 AromaticContact CD1-CD1 3.89Å; F129-W145 AromaticContact CE1-CD1 3.34Å; F129-W145 HydrophobicContact CE1-CG 4.28Å; F129-W145 AromaticContact CE1-NE1 3.87Å; F129-W145 AromaticContact CZ-CD1 3.66Å; F129-W145 AromaticContact CZ-NE1 3.75Å; F129-I148 HydrophobicContact CD1-CB 3.85Å; F129-I148 HydrophobicContact CD1-CD1 3.83Å; F129-I148 HydrophobicContact CD1-CG1 4.48Å; F129-I148 HydrophobicContact CD1-CG2 3.61Å; F129-I148 HydrophobicContact CE1-CB 3.67Å; F129-I148 HydrophobicContact CE1-CG2 3.45Å; F129-I148 VanDerWaalsContact CE1-CG2 3.45Å; F129-I148 HydrophobicContact CG-CG2 4.47Å; F129-I148 HydrophobicContact CZ-CG2 4.21Å |
| 130 | E | 95.5 | Very high | 95.3 | Very high | 96 Ų | 96 | 54.2 Ų | 54.2 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -78.4 | -42.1 | -174.4 | -53 | -160 | -147.6 | 0 | 0 | 111.2 | R6 D128 F132 F133 L134 | R6-E130 VanDerWaalsContact CZ-CD 3.42Å; R6-E130 IonicContact CZ-OE1 3.71Å; R6-E130 VanDerWaalsContact CZ-OE1 3.25Å; R6-E130 IonicContact CZ-OE2 3.7Å; R6-E130 IonicContact NE-OE1 2.8Å; R6-E130 IonicContact NH1-OE1 3.63Å; R6-E130 IonicContact NH1-OE2 3.24Å; R6-E130 PolarHBondContact NH1-OE2 2.99Å; R6-E130 VanDerWaalsContact NH1-OE2 3.08Å; R6-E130 IonicContact NH2-OE1 3.02Å; R6-E130 PolarHBondContact NH2-OE1 3.43Å; R6-E130 IonicContact NH2-OE2 2.7Å; R6-E130 PolarHBondContact NH2-OE2 2.89Å; D128-E130 PolarHBondContact O-N 3.23Å; D128-E130 PolarHBondContact OD1-N 2.98Å; D128-E130 VanDerWaalsContact OD1-N 3.1Å; E130-F132 VanDerWaalsContact C-N 3.28Å; E130-F132 PolarHBondContact O-N 3.21Å; E130-F133 PolarHBondContact O-N 2.69Å; E130-L134 WeakPolarHBondContact O-CB 3.22Å; E130-L134 PolarHBondContact O-N 2.88Å |
| 131 | E | 95.4 | Very high | 95 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.4 | -35 | 170.2 | -172.8 | 71.7 | 158.6 | 0 | 0 | 110.9 | D128 R135 L277 | D128-E131 HydrophobicContact CB-CB 4.45Å; D128-E131 PolarHBondContact OD1-N 3.24Å; E131-R135 VanDerWaalsContact CD-NE 3.29Å; E131-R135 HydrophobicContact CG-CG 3.87Å; E131-R135 WeakPolarHBondContact O-CB 3.5Å; E131-R135 WeakPolarHBondContact O-CG 3.2Å; E131-R135 PolarHBondContact O-N 2.9Å; E131-R135 IonicContact OE1-CZ 3.02Å; E131-R135 IonicContact OE1-NE 2.64Å; E131-R135 PolarHBondContact OE1-NE 2.96Å; E131-R135 IonicContact OE1-NH2 3.4Å; E131-R135 PolarHBondContact OE1-NH2 2.55Å; E131-R135 IonicContact OE2-NE 3.23Å; E131-R135 PolarHBondContact OE2-NE 3.14Å; E131-R135 IonicContact OE2-NH2 2.72Å; E131-L277 HydrophobicContact CG-CB 4.06Å; E131-L277 HydrophobicContact CG-CD2 4.29Å |
| 132 | F | 96.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 171.2 | -86.7 | -79.6 | 0 | 0 | 0 | 113.3 | T127 D128 F129 E130 L134 C136 I148 H152 F233 L247 Y250 L277 | T127-F132 HydrophobicContact CG2-CD2 4.18Å; T127-F132 HydrophobicContact CG2-CE2 4.01Å; D128-F132 WeakPolarHBondContact O-CD2 3.47Å; D128-F132 PolarHBondContact O-N 3.43Å; F129-F132 PolarHBondContact O-N 3.35Å; E130-F132 VanDerWaalsContact C-N 3.28Å; E130-F132 PolarHBondContact O-N 3.21Å; F132-L134 VanDerWaalsContact C-N 3.33Å; F132-L134 PolarHBondContact O-N 3.25Å; F132-C136 VanDerWaalsContact O-CB 3.3Å; F132-C136 WeakPolarHBondContact O-CB 3.17Å; F132-C136 PolarHBondContact O-N 2.88Å; F132-I148 HydrophobicContact CB-CD1 3.51Å; F132-I148 HydrophobicContact CB-CG1 4.05Å; F132-I148 HydrophobicContact CD1-CG1 4.26Å; F132-I148 HydrophobicContact CD2-CG2 3.97Å; F132-I148 HydrophobicContact CE2-CG2 4.29Å; F132-I148 HydrophobicContact CG-CD1 4.12Å; F132-I148 HydrophobicContact CG-CG1 4.14Å; F132-I148 HydrophobicContact CG-CG2 4.13Å; F132-H152 AromaticContact CE2-CE1 3.57Å; F132-H152 AromaticContact CE2-NE2 3.94Å; F132-H152 AromaticContact CZ-CE1 3.64Å; F132-F233 AromaticContact CD1-CZ 3.99Å; F132-F233 HydrophobicContact CD1-CZ 3.99Å; F132-F233 HydrophobicContact CE1-CZ 4.32Å; F132-L247 HydrophobicContact CE1-CD1 3.71Å; F132-Y250 HydrophobicContact CE1-CE1 4.42Å; F132-Y250 HydrophobicContact CE2-CE1 4.42Å; F132-Y250 HydrophobicContact CZ-CD1 4.05Å; F132-Y250 AromaticContact CZ-CE1 3.55Å; F132-Y250 HydrophobicContact CZ-CE1 3.55Å; F132-Y250 HydrophobicContact CZ-CE2 4.35Å; F132-Y250 AromaticContact CZ-CZ 3.68Å; F132-L277 HydrophobicContact CB-CD2 4.44Å; F132-L277 HydrophobicContact CD1-CD1 4.44Å; F132-L277 HydrophobicContact CD1-CD2 3.73Å; F132-L277 HydrophobicContact CD2-CD2 4.29Å; F132-L277 HydrophobicContact CE1-CD1 3.85Å; F132-L277 HydrophobicContact CE1-CD2 3.97Å; F132-L277 HydrophobicContact CE1-CG 4.46Å; F132-L277 HydrophobicContact CE2-CB 4.47Å; F132-L277 HydrophobicContact CE2-CD2 4.48Å; F132-L277 HydrophobicContact CG-CD2 3.9Å; F132-L277 HydrophobicContact CZ-CD1 3.98Å; F132-L277 HydrophobicContact CZ-CD2 4.33Å |
| 133 | F | 95.1 | Very high | 94.5 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 10% | 0.096 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 177.7 | -63.5 | -23.4 | 0 | 0 | 0 | 111.2 | F129 E130 Q137 M138 D140 I148 | F129-F133 HydrophobicContact CB-CE2 4.31Å; F129-F133 HydrophobicContact CB-CZ 4.23Å; F129-F133 WeakPolarHBondContact O-CD1 3.35Å; F129-F133 WeakPolarHBondContact O-CD2 3.41Å; F129-F133 WeakPolarHBondContact O-CG 3.4Å; F129-F133 PolarHBondContact O-N 2.85Å; E130-F133 PolarHBondContact O-N 2.69Å; F133-Q137 CarbonylContact O-C 3.59Å; F133-Q137 WeakPolarHBondContact O-CA 3.06Å; F133-Q137 PolarHBondContact O-N 3.19Å; F133-M138 WeakPolarHBondContact CB-O 3.39Å; F133-M138 HydrophobicContact CD1-CB 4.18Å; F133-M138 PolarHBondContact O-N 2.73Å; F133-D140 HydrophobicContact CD2-CB 3.93Å; F133-D140 HydrophobicContact CE2-CB 3.88Å; F133-D140 VanDerWaalsContact CE2-CG 3.42Å; F133-D140 VanDerWaalsContact CE2-OD1 3.25Å; F133-D140 WeakPolarHBondContact CE2-OD1 3.42Å; F133-I148 HydrophobicContact CD1-CD1 3.74Å; F133-I148 HydrophobicContact CE1-CD1 3.49Å; F133-I148 VanDerWaalsContact CE1-CD1 3.49Å |
| 134 | L | 94.8 | Very high | 94.3 | Very high | 125 Ų | 125 | 56 Ų | 56 | 65% | 0.654 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.7 | -51.3 | 178.7 | -179.5 | 61.7 | 0 | 0 | 0 | 112.7 | E130 F132 | E130-L134 WeakPolarHBondContact O-CB 3.22Å; E130-L134 PolarHBondContact O-N 2.88Å; F132-L134 VanDerWaalsContact C-N 3.33Å; F132-L134 PolarHBondContact O-N 3.25Å |
| 135 | R | 94.1 | Very high | 94.3 | Very high | 100 Ų | 100 | 55.3 Ų | 55.3 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -81.2 | -31 | -171.3 | -60.6 | -60.9 | -174.3 | 136.6 | 18.1 | 114 | E131 H243 L246 L277 V278 | E131-R135 VanDerWaalsContact CD-NE 3.29Å; E131-R135 HydrophobicContact CG-CG 3.87Å; E131-R135 WeakPolarHBondContact O-CB 3.5Å; E131-R135 WeakPolarHBondContact O-CG 3.2Å; E131-R135 PolarHBondContact O-N 2.9Å; E131-R135 IonicContact OE1-CZ 3.02Å; E131-R135 IonicContact OE1-NE 2.64Å; E131-R135 PolarHBondContact OE1-NE 2.96Å; E131-R135 IonicContact OE1-NH2 3.4Å; E131-R135 PolarHBondContact OE1-NH2 2.55Å; E131-R135 IonicContact OE2-NE 3.23Å; E131-R135 PolarHBondContact OE2-NE 3.14Å; E131-R135 IonicContact OE2-NH2 2.72Å; R135-H243 PolarHBondContact O-CD2 2.94Å; R135-L246 HydrophobicContact CB-CD2 3.74Å; R135-L246 HydrophobicContact CG-CD2 4.33Å; R135-L277 HydrophobicContact CB-CD2 3.9Å; R135-L277 HydrophobicContact CG-CD2 4.25Å; R135-V278 HydrophobicContact CG-CG2 4.23Å |
| 136 | C | 93.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.034 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 10.5 | 176.2 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | F132 M138 F233 F234 | F132-C136 VanDerWaalsContact O-CB 3.3Å; F132-C136 WeakPolarHBondContact O-CB 3.17Å; F132-C136 PolarHBondContact O-N 2.88Å; C136-M138 HydrophobicContact CB-CG 3.79Å; C136-M138 HydrophobicContact CB-SD 4.12Å; C136-M138 PolarHBondContact O-N 2.9Å; C136-M138 VanDerWaalsContact O-N 3.14Å; C136-F233 HydrophobicContact CB-CE1 4.14Å; C136-F234 HydrophobicContact CB-CE1 3.94Å; C136-F234 HydrophobicContact CB-CZ 3.93Å |
| 137 | Q | 92.9 | Very high | 94.5 | Very high | 144 Ų | 144 | 45 Ų | 45 | 67% | 0.673 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 34.1 | -178.6 | -55.1 | -170.3 | 2.1 | 0 | 0 | 113.9 | F133 H243 | F133-Q137 CarbonylContact O-C 3.59Å; F133-Q137 WeakPolarHBondContact O-CA 3.06Å; F133-Q137 PolarHBondContact O-N 3.19Å; Q137-H243 VanDerWaalsContact CD-CE1 3.44Å; Q137-H243 PolarHBondContact NE2-CE1 3.44Å; Q137-H243 PolarHBondContact NE2-NE2 3.17Å |
| 138 | M | 91.6 | Very high | 94.6 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | trans | -87.5 | 133.3 | -178.3 | -51.8 | 178.5 | 87 | 0 | 0 | 110 | F133 C136 L147 I148 F233 | F133-M138 WeakPolarHBondContact CB-O 3.39Å; F133-M138 HydrophobicContact CD1-CB 4.18Å; F133-M138 PolarHBondContact O-N 2.73Å; C136-M138 HydrophobicContact CB-CG 3.79Å; C136-M138 HydrophobicContact CB-SD 4.12Å; C136-M138 PolarHBondContact O-N 2.9Å; C136-M138 VanDerWaalsContact O-N 3.14Å; M138-L147 HydrophobicContact CE-CB 3.98Å; M138-L147 HydrophobicContact CE-CD1 3.84Å; M138-I148 HydrophobicContact CE-CG1 4.47Å; M138-I148 HydrophobicContact SD-CD1 3.97Å; M138-I148 HydrophobicContact SD-CG1 3.99Å; M138-F233 HydrophobicContact CE-CD1 4.22Å; M138-F233 HydrophobicContact CE-CE1 3.72Å; M138-F233 HydrophobicContact CE-CZ 3.91Å; M138-F233 HydrophobicContact CG-CE1 4.5Å; M138-F233 HydrophobicContact SD-CD1 4.4Å; M138-F233 HydrophobicContact SD-CE1 3.39Å; M138-F233 WeakPolarHBondContact SD-CE1 3.45Å; M138-F233 HydrophobicContact SD-CZ 3.49Å; M138-F233 WeakPolarHBondContact SD-CZ 3.39Å | ||
| 139 | P | 92.9 | Very high | 94.8 | Very high | 80 Ų | 80 | 39.8 Ų | 39.8 | 52% | 0.519 | 20% | 0.198 | S | C | . | . | trans | -69.3 | 140.2 | 176 | 30.3 | -35.2 | 0 | 0 | 0 | 110.4 | T141 S144 | P139-T141 HydrophobicContact CB-CG2 3.98Å; P139-T141 HydrophobicContact CG-CG2 4.05Å; P139-T141 PolarHBondContact O-N 3.06Å; P139-T141 PolarHBondContact O-OG1 3.02Å; P139-S144 WeakPolarHBondContact O-CB 3.23Å; P139-S144 PolarHBondContact O-OG 3.23Å | ||
| 140 | D | 92.4 | Very high | 94.9 | Very high | 76 Ų | 76 | 38.8 Ų | 38.8 | 41% | 0.406 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -64.7 | 94.5 | 176 | -170.2 | -8.8 | 0 | 0 | 0 | 109.7 | R6 F133 | R6-D140 IonicContact NH1-OD2 3.02Å; F133-D140 HydrophobicContact CD2-CB 3.93Å; F133-D140 HydrophobicContact CE2-CB 3.88Å; F133-D140 VanDerWaalsContact CE2-CG 3.42Å; F133-D140 VanDerWaalsContact CE2-OD1 3.25Å; F133-D140 WeakPolarHBondContact CE2-OD1 3.42Å |
| 141 | T | 92.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 12% | 0.117 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -145.8 | 160.5 | -173.3 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | Q16 P139 N143 S144 W145 | Q16-T141 HydrophobicContact CB-CG2 4.38Å; Q16-T141 VanDerWaalsContact OE1-CG2 3.29Å; P139-T141 HydrophobicContact CB-CG2 3.98Å; P139-T141 HydrophobicContact CG-CG2 4.05Å; P139-T141 PolarHBondContact O-N 3.06Å; P139-T141 PolarHBondContact O-OG1 3.02Å; T141-N143 PolarHBondContact O-N 2.78Å; T141-N143 PolarHBondContact OG1-N 2.64Å; T141-S144 PolarHBondContact O-N 2.8Å; T141-S144 PolarHBondContact OG1-N 2.79Å; T141-S144 VanDerWaalsContact OG1-N 3.12Å; T141-S144 PolarHBondContact OG1-OG 2.88Å; T141-S144 VanDerWaalsContact OG1-OG 3.08Å; T141-W145 PolarHBondContact O-N 3.32Å |
| 142 | F | 92.4 | Very high | 95.3 | Very high | 18 Ų | 18 | 32.3 Ų | 32.3 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57 | -34.6 | 172.4 | -176 | -106.1 | 0 | 0 | 0 | 113 | W17 W145 F146 V182 R185 M189 M203 | W17-F142 HydrophobicContact CE3-CD1 4.11Å; W17-F142 HydrophobicContact CH2-CB 4.49Å; W17-F142 AromaticContact CH2-CD1 3.16Å; W17-F142 HydrophobicContact CH2-CD1 3.16Å; W17-F142 HydrophobicContact CH2-CD2 4.28Å; W17-F142 AromaticContact CH2-CE1 3.21Å; W17-F142 HydrophobicContact CH2-CE1 3.21Å; W17-F142 HydrophobicContact CH2-CE2 4.33Å; W17-F142 AromaticContact CH2-CG 3.72Å; W17-F142 HydrophobicContact CH2-CG 3.72Å; W17-F142 AromaticContact CH2-CZ 3.82Å; W17-F142 HydrophobicContact CH2-CZ 3.82Å; W17-F142 HydrophobicContact CZ2-CB 4.2Å; W17-F142 AromaticContact CZ2-CD1 3.71Å; W17-F142 HydrophobicContact CZ2-CD1 3.71Å; W17-F142 HydrophobicContact CZ2-CD2 4.4Å; W17-F142 HydrophobicContact CZ2-CE1 4.16Å; W17-F142 AromaticContact CZ2-CG 3.83Å; W17-F142 HydrophobicContact CZ2-CG 3.83Å; W17-F142 AromaticContact CZ3-CD1 3.38Å; W17-F142 HydrophobicContact CZ3-CD1 3.38Å; W17-F142 AromaticContact CZ3-CE1 3.42Å; W17-F142 HydrophobicContact CZ3-CE1 3.42Å; W17-F142 VanDerWaalsContact CZ3-CE1 3.42Å; W17-F142 HydrophobicContact CZ3-CG 4.32Å; W17-F142 HydrophobicContact CZ3-CZ 4.4Å; F142-W145 AromaticContact CD2-CE3 3.7Å; F142-W145 HydrophobicContact CD2-CE3 3.7Å; F142-W145 HydrophobicContact CD2-CZ3 4.06Å; F142-W145 AromaticContact CE2-CE3 3.48Å; F142-W145 HydrophobicContact CE2-CE3 3.48Å; F142-W145 VanDerWaalsContact CE2-CE3 3.48Å; F142-W145 HydrophobicContact CE2-CH2 4.45Å; F142-W145 AromaticContact CE2-CZ3 3.33Å; F142-W145 HydrophobicContact CE2-CZ3 3.33Å; F142-W145 HydrophobicContact CZ-CE3 4.18Å; F142-W145 AromaticContact CZ-CZ3 3.78Å; F142-W145 HydrophobicContact CZ-CZ3 3.78Å; F142-F146 WeakPolarHBondContact O-CB 3.37Å; F142-F146 PolarHBondContact O-N 3.25Å; F142-V182 HydrophobicContact CZ-CB 4.45Å; F142-V182 HydrophobicContact CZ-CG1 4.15Å; F142-V182 HydrophobicContact CZ-CG2 4.45Å; F142-R185 HydrophobicContact CD2-CB 4.28Å; F142-R185 HydrophobicContact CE2-CB 3.6Å; F142-R185 HydrophobicContact CZ-CB 4.47Å; F142-M189 HydrophobicContact CB-CE 4.13Å; F142-M189 HydrophobicContact CB-SD 3.98Å; F142-M189 HydrophobicContact CD2-CE 3.83Å; F142-M189 HydrophobicContact CD2-SD 3.84Å; F142-M189 HydrophobicContact CG-CE 4.38Å; F142-M189 HydrophobicContact CG-SD 4.08Å; F142-M203 HydrophobicContact CD1-CE 4.49Å; F142-M203 HydrophobicContact CE1-CE 3.56Å; F142-M203 HydrophobicContact CE1-SD 3.98Å; F142-M203 HydrophobicContact CZ-CE 4.07Å |
| 143 | N | 92.6 | Very high | 95.4 | Very high | 57 Ų | 57 | 32.1 Ų | 32.1 | 31% | 0.305 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -68.4 | -46.6 | 177.3 | -173.9 | 74.7 | 0 | 0 | 0 | 111.7 | T141 W145 F146 L147 | T141-N143 PolarHBondContact O-N 2.78Å; T141-N143 PolarHBondContact OG1-N 2.64Å; N143-W145 PolarHBondContact O-N 3.3Å; N143-F146 WeakPolarHBondContact O-CB 3.19Å; N143-F146 PolarHBondContact O-N 3.02Å; N143-L147 WeakPolarHBondContact ND2-CD1 3.24Å; N143-L147 VanDerWaalsContact O-CG 3.28Å; N143-L147 WeakPolarHBondContact O-CG 3.48Å; N143-L147 PolarHBondContact O-N 3.47Å |
| 144 | S | 95.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 176.3 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | P139 T141 F146 L147 I148 | P139-S144 WeakPolarHBondContact O-CB 3.23Å; P139-S144 PolarHBondContact O-OG 3.23Å; T141-S144 PolarHBondContact O-N 2.8Å; T141-S144 PolarHBondContact OG1-N 2.79Å; T141-S144 VanDerWaalsContact OG1-N 3.12Å; T141-S144 PolarHBondContact OG1-OG 2.88Å; T141-S144 VanDerWaalsContact OG1-OG 3.08Å; S144-F146 VanDerWaalsContact C-N 3.33Å; S144-F146 PolarHBondContact O-N 3.47Å; S144-L147 PolarHBondContact O-N 2.88Å; S144-I148 WeakPolarHBondContact O-CD1 3.32Å; S144-I148 WeakPolarHBondContact O-CG1 3.36Å; S144-I148 PolarHBondContact O-N 3.38Å |
| 145 | W | 96.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57 | -45.5 | 171.3 | 167.7 | 71.8 | 0 | 0 | 0 | 112.1 | L3 V124 F129 T141 F142 N143 T149 V182 R185 | L3-W145 HydrophobicContact CD1-CB 3.7Å; L3-W145 HydrophobicContact CD1-CD2 4.43Å; L3-W145 HydrophobicContact CD1-CG 3.45Å; L3-W145 VanDerWaalsContact CD1-CG 3.45Å; V124-W145 HydrophobicContact CG1-CZ2 3.97Å; F129-W145 AromaticContact CD1-CD1 3.89Å; F129-W145 AromaticContact CE1-CD1 3.34Å; F129-W145 HydrophobicContact CE1-CG 4.28Å; F129-W145 AromaticContact CE1-NE1 3.87Å; F129-W145 AromaticContact CZ-CD1 3.66Å; F129-W145 AromaticContact CZ-NE1 3.75Å; T141-W145 PolarHBondContact O-N 3.32Å; F142-W145 AromaticContact CD2-CE3 3.7Å; F142-W145 HydrophobicContact CD2-CE3 3.7Å; F142-W145 HydrophobicContact CD2-CZ3 4.06Å; F142-W145 AromaticContact CE2-CE3 3.48Å; F142-W145 HydrophobicContact CE2-CE3 3.48Å; F142-W145 VanDerWaalsContact CE2-CE3 3.48Å; F142-W145 HydrophobicContact CE2-CH2 4.45Å; F142-W145 AromaticContact CE2-CZ3 3.33Å; F142-W145 HydrophobicContact CE2-CZ3 3.33Å; F142-W145 HydrophobicContact CZ-CE3 4.18Å; F142-W145 AromaticContact CZ-CZ3 3.78Å; F142-W145 HydrophobicContact CZ-CZ3 3.78Å; N143-W145 PolarHBondContact O-N 3.3Å; W145-T149 HydrophobicContact CZ2-CG2 4.16Å; W145-T149 PolarHBondContact NE1-OG1 2.94Å; W145-T149 VanDerWaalsContact O-CB 3.24Å; W145-T149 WeakPolarHBondContact O-CB 3.32Å; W145-T149 PolarHBondContact O-N 2.84Å; W145-T149 PolarHBondContact O-OG1 2.8Å; W145-V182 HydrophobicContact CH2-CG2 4.07Å; W145-V182 HydrophobicContact CZ3-CG2 3.96Å; W145-R185 VanDerWaalsContact NE1-NH1 3.14Å |
| 146 | F | 97.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.7 | -44 | 178.7 | 171.4 | -99.9 | 0 | 0 | 0 | 111.9 | F142 N143 S144 T149 L150 M178 W179 V182 M203 | F142-F146 WeakPolarHBondContact O-CB 3.37Å; F142-F146 PolarHBondContact O-N 3.25Å; N143-F146 WeakPolarHBondContact O-CB 3.19Å; N143-F146 PolarHBondContact O-N 3.02Å; S144-F146 VanDerWaalsContact C-N 3.33Å; S144-F146 PolarHBondContact O-N 3.47Å; F146-T149 PolarHBondContact O-N 3.18Å; F146-L150 HydrophobicContact CE1-CD2 3.85Å; F146-L150 HydrophobicContact CZ-CD2 4.07Å; F146-L150 WeakPolarHBondContact O-CB 3.32Å; F146-L150 PolarHBondContact O-N 3.16Å; F146-M178 HydrophobicContact CD2-CE 3.95Å; F146-M178 HydrophobicContact CE2-CE 3.52Å; F146-M178 HydrophobicContact CZ-CE 4.22Å; F146-W179 AromaticContact CE2-CH2 3.73Å; F146-W179 HydrophobicContact CE2-CH2 3.73Å; F146-W179 AromaticContact CE2-CZ3 3.78Å; F146-W179 HydrophobicContact CE2-CZ3 3.78Å; F146-W179 AromaticContact CZ-CH2 3.83Å; F146-W179 HydrophobicContact CZ-CH2 3.83Å; F146-W179 HydrophobicContact CZ-CZ3 4.27Å; F146-V182 HydrophobicContact CD2-CG2 3.92Å; F146-V182 HydrophobicContact CE2-CG2 4.23Å; F146-M203 HydrophobicContact CB-CE 4.01Å; F146-M203 HydrophobicContact CD1-CE 4.05Å; F146-M203 HydrophobicContact CD2-CE 3.23Å; F146-M203 HydrophobicContact CE1-CB 4.19Å; F146-M203 HydrophobicContact CE1-CE 4.35Å; F146-M203 HydrophobicContact CE1-CG 4.44Å; F146-M203 HydrophobicContact CE2-CB 4.28Å; F146-M203 HydrophobicContact CE2-CE 3.58Å; F146-M203 HydrophobicContact CG-CE 3.49Å; F146-M203 VanDerWaalsContact CG-CE 3.49Å; F146-M203 HydrophobicContact CZ-CB 3.88Å; F146-M203 HydrophobicContact CZ-CE 4.14Å; F146-M203 HydrophobicContact CZ-CG 4.49Å |
| 147 | L | 97.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 179.5 | -68.7 | 162.8 | 0 | 0 | 0 | 112.3 | M138 N143 S144 L150 L151 H206 N235 | M138-L147 HydrophobicContact CE-CB 3.98Å; M138-L147 HydrophobicContact CE-CD1 3.84Å; N143-L147 WeakPolarHBondContact ND2-CD1 3.24Å; N143-L147 VanDerWaalsContact O-CG 3.28Å; N143-L147 WeakPolarHBondContact O-CG 3.48Å; N143-L147 PolarHBondContact O-N 3.47Å; S144-L147 PolarHBondContact O-N 2.88Å; L147-L150 PolarHBondContact O-N 3.33Å; L147-L151 PolarHBondContact O-N 2.97Å; L147-H206 WeakPolarHBondContact CD2-NE2 3.3Å; L147-N235 WeakPolarHBondContact CD1-ND2 3.39Å |
| 148 | I | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65 | -46 | 175.5 | -63.1 | 158.2 | 0 | 0 | 0 | 110 | T127 F129 F132 F133 M138 S144 L150 L151 H152 F233 | T127-I148 HydrophobicContact CG2-CG2 3.9Å; F129-I148 HydrophobicContact CD1-CB 3.85Å; F129-I148 HydrophobicContact CD1-CD1 3.83Å; F129-I148 HydrophobicContact CD1-CG1 4.48Å; F129-I148 HydrophobicContact CD1-CG2 3.61Å; F129-I148 HydrophobicContact CE1-CB 3.67Å; F129-I148 HydrophobicContact CE1-CG2 3.45Å; F129-I148 VanDerWaalsContact CE1-CG2 3.45Å; F129-I148 HydrophobicContact CG-CG2 4.47Å; F129-I148 HydrophobicContact CZ-CG2 4.21Å; F132-I148 HydrophobicContact CB-CD1 3.51Å; F132-I148 HydrophobicContact CB-CG1 4.05Å; F132-I148 HydrophobicContact CD1-CG1 4.26Å; F132-I148 HydrophobicContact CD2-CG2 3.97Å; F132-I148 HydrophobicContact CE2-CG2 4.29Å; F132-I148 HydrophobicContact CG-CD1 4.12Å; F132-I148 HydrophobicContact CG-CG1 4.14Å; F132-I148 HydrophobicContact CG-CG2 4.13Å; F133-I148 HydrophobicContact CD1-CD1 3.74Å; F133-I148 HydrophobicContact CE1-CD1 3.49Å; F133-I148 VanDerWaalsContact CE1-CD1 3.49Å; M138-I148 HydrophobicContact CE-CG1 4.47Å; M138-I148 HydrophobicContact SD-CD1 3.97Å; M138-I148 HydrophobicContact SD-CG1 3.99Å; S144-I148 WeakPolarHBondContact O-CD1 3.32Å; S144-I148 WeakPolarHBondContact O-CG1 3.36Å; S144-I148 PolarHBondContact O-N 3.38Å; I148-L150 VanDerWaalsContact C-N 3.31Å; I148-L150 PolarHBondContact O-N 2.95Å; I148-L151 PolarHBondContact O-N 2.96Å; I148-H152 PolarHBondContact O-N 3.01Å; I148-H152 VanDerWaalsContact O-N 3.16Å; I148-H152 PolarHBondContact O-ND1 2.78Å; I148-F233 HydrophobicContact CG1-CE2 3.99Å; I148-F233 HydrophobicContact CG1-CZ 3.85Å |
| 149 | T | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61 | -40.6 | 177.8 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | Y120 V124 W145 F146 H152 V153 | Y120-T149 HydrophobicContact CE2-CG2 3.97Å; V124-T149 HydrophobicContact CG1-CG2 3.52Å; W145-T149 HydrophobicContact CZ2-CG2 4.16Å; W145-T149 PolarHBondContact NE1-OG1 2.94Å; W145-T149 VanDerWaalsContact O-CB 3.24Å; W145-T149 WeakPolarHBondContact O-CB 3.32Å; W145-T149 PolarHBondContact O-N 2.84Å; W145-T149 PolarHBondContact O-OG1 2.8Å; F146-T149 PolarHBondContact O-N 3.18Å; T149-H152 PolarHBondContact O-N 3.49Å; T149-V153 HydrophobicContact CG2-CG2 4.25Å; T149-V153 WeakPolarHBondContact O-CB 3.48Å; T149-V153 VanDerWaalsContact O-CG2 3.31Å; T149-V153 WeakPolarHBondContact O-CG2 3.43Å; T149-V153 PolarHBondContact O-N 2.78Å |
| 150 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 177.5 | 173.2 | 56 | 0 | 0 | 0 | 112 | F146 L147 I148 W154 M178 F207 A210 | F146-L150 HydrophobicContact CE1-CD2 3.85Å; F146-L150 HydrophobicContact CZ-CD2 4.07Å; F146-L150 WeakPolarHBondContact O-CB 3.32Å; F146-L150 PolarHBondContact O-N 3.16Å; L147-L150 PolarHBondContact O-N 3.33Å; I148-L150 VanDerWaalsContact C-N 3.31Å; I148-L150 PolarHBondContact O-N 2.95Å; L150-W154 VanDerWaalsContact O-CB 3.3Å; L150-W154 WeakPolarHBondContact O-CB 3.41Å; L150-W154 PolarHBondContact O-N 2.74Å; L150-M178 HydrophobicContact CB-CE 3.87Å; L150-M178 HydrophobicContact CD1-CE 4.05Å; L150-F207 HydrophobicContact CD1-CB 4.43Å; L150-F207 HydrophobicContact CD1-CD2 3.5Å; L150-F207 HydrophobicContact CD1-CE2 4Å; L150-F207 HydrophobicContact CD1-CG 4.18Å; L150-A210 HydrophobicContact CD1-CB 4.31Å; L150-A210 HydrophobicContact CD2-CB 3.61Å; L150-A210 HydrophobicContact CG-CB 3.99Å |
| 151 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 174.9 | -173.7 | 68.2 | 0 | 0 | 0 | 111.3 | L147 I148 W154 M155 Y214 L229 F233 L247 V251 | L147-L151 PolarHBondContact O-N 2.97Å; I148-L151 PolarHBondContact O-N 2.96Å; L151-W154 HydrophobicContact CD1-CE3 4.1Å; L151-W154 HydrophobicContact CD1-CZ3 4.42Å; L151-W154 PolarHBondContact O-N 3.47Å; L151-M155 HydrophobicContact CG-CE 4.46Å; L151-M155 WeakPolarHBondContact O-CG 3.31Å; L151-M155 PolarHBondContact O-N 3.46Å; L151-M155 VanDerWaalsContact O-N 3.08Å; L151-Y214 HydrophobicContact CD1-CD2 4.11Å; L151-Y214 HydrophobicContact CD1-CE1 4.33Å; L151-Y214 HydrophobicContact CD1-CE2 3.65Å; L151-L229 HydrophobicContact CD1-CD2 3.91Å; L151-F233 HydrophobicContact CB-CD2 4.26Å; L151-F233 HydrophobicContact CB-CE2 4.33Å; L151-F233 HydrophobicContact CD2-CD2 3.97Å; L151-F233 HydrophobicContact CD2-CE2 3.83Å; L151-L247 HydrophobicContact CD2-CD1 3.85Å; L151-L247 HydrophobicContact CD2-CG 4.49Å; L151-V251 HydrophobicContact CD1-CG2 3.96Å; L151-V251 HydrophobicContact CD2-CG2 4.04Å; L151-V251 HydrophobicContact CG-CG2 4.33Å |
| 152 | H | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.3 | -41.8 | 179.3 | -69.2 | 77.4 | 0 | 0 | 0 | 112.6 | C123 T127 F132 I148 T149 M155 C156 Y250 W274 | C123-H152 HydrophobicContact CB-CB 3.95Å; T127-H152 WeakPolarHBondContact CG2-CE1 3.42Å; T127-H152 WeakPolarHBondContact CG2-NE2 3.29Å; T127-H152 PolarHBondContact OG1-CD2 3.39Å; T127-H152 VanDerWaalsContact OG1-CD2 3.31Å; T127-H152 PolarHBondContact OG1-NE2 3.19Å; F132-H152 AromaticContact CE2-CE1 3.57Å; F132-H152 AromaticContact CE2-NE2 3.94Å; F132-H152 AromaticContact CZ-CE1 3.64Å; I148-H152 PolarHBondContact O-N 3.01Å; I148-H152 VanDerWaalsContact O-N 3.16Å; I148-H152 PolarHBondContact O-ND1 2.78Å; T149-H152 PolarHBondContact O-N 3.49Å; H152-M155 HydrophobicContact CB-CE 4.48Å; H152-M155 PolarHBondContact O-N 3.41Å; H152-C156 PolarHBondContact O-N 3.44Å; H152-C156 VanDerWaalsContact O-N 3.14Å; H152-Y250 AromaticContact NE2-CZ 3.93Å; H152-Y250 PolarHBondContact NE2-OH 2.88Å; H152-W274 HydrophobicContact CB-CH2 4Å; H152-W274 HydrophobicContact CB-CZ2 3.86Å; H152-W274 AromaticContact CD2-CD2 3.68Å; H152-W274 AromaticContact CD2-CE2 3.64Å; H152-W274 AromaticContact CD2-CE3 3.82Å; H152-W274 AromaticContact CD2-CH2 3.92Å; H152-W274 AromaticContact CD2-CZ2 3.79Å; H152-W274 AromaticContact CD2-CZ3 3.93Å |
| 153 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 173.2 | 166.7 | 0 | 0 | 0 | 0 | 110.5 | Y120 C123 T149 M155 C156 L157 I174 M178 | Y120-V153 HydrophobicContact CD2-CG2 3.84Å; Y120-V153 HydrophobicContact CE2-CG2 3.88Å; C123-V153 HydrophobicContact CB-CG2 4.16Å; T149-V153 HydrophobicContact CG2-CG2 4.25Å; T149-V153 WeakPolarHBondContact O-CB 3.48Å; T149-V153 VanDerWaalsContact O-CG2 3.31Å; T149-V153 WeakPolarHBondContact O-CG2 3.43Å; T149-V153 PolarHBondContact O-N 2.78Å; V153-M155 PolarHBondContact O-N 2.83Å; V153-C156 WeakPolarHBondContact O-CB 3.36Å; V153-C156 PolarHBondContact O-N 3.27Å; V153-L157 HydrophobicContact CG1-CD1 3.92Å; V153-L157 HydrophobicContact CG1-CG 4.07Å; V153-L157 VanDerWaalsContact O-CG 3.27Å; V153-L157 WeakPolarHBondContact O-CG 3.45Å; V153-L157 PolarHBondContact O-N 2.95Å; V153-I174 HydrophobicContact CG1-CG2 3.9Å; V153-I174 HydrophobicContact CG2-CG2 4.35Å; V153-M178 HydrophobicContact CB-SD 3.98Å; V153-M178 HydrophobicContact CG1-SD 3.79Å; V153-M178 HydrophobicContact CG2-SD 3.92Å |
| 154 | W | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.1 | -47.2 | 176.9 | 165.3 | 74.9 | 0 | 0 | 0 | 112.1 | L150 L151 C156 L157 V158 I211 Y214 D215 I218 V251 M255 | L150-W154 VanDerWaalsContact O-CB 3.3Å; L150-W154 WeakPolarHBondContact O-CB 3.41Å; L150-W154 PolarHBondContact O-N 2.74Å; L151-W154 HydrophobicContact CD1-CE3 4.1Å; L151-W154 HydrophobicContact CD1-CZ3 4.42Å; L151-W154 PolarHBondContact O-N 3.47Å; W154-C156 VanDerWaalsContact C-N 3.33Å; W154-C156 PolarHBondContact O-N 3.22Å; W154-L157 CarbonylContact O-C 3.55Å; W154-L157 WeakPolarHBondContact O-CA 3.43Å; W154-L157 WeakPolarHBondContact O-CB 3.37Å; W154-L157 PolarHBondContact O-N 3.31Å; W154-V158 HydrophobicContact CD2-CG2 4.25Å; W154-V158 VanDerWaalsContact CE2-CG2 3.45Å; W154-V158 HydrophobicContact CG-CG2 4.47Å; W154-V158 HydrophobicContact CZ2-CG2 3.72Å; W154-V158 VanDerWaalsContact NE1-CG2 3.26Å; W154-V158 PolarHBondContact O-N 3.31Å; W154-I211 HydrophobicContact CB-CD1 3.9Å; W154-I211 HydrophobicContact CG-CD1 4.15Å; W154-Y214 HydrophobicContact CB-CD2 4.08Å; W154-Y214 AromaticContact CD2-CD2 3.63Å; W154-Y214 HydrophobicContact CD2-CD2 3.63Å; W154-Y214 HydrophobicContact CD2-CG 4Å; W154-Y214 AromaticContact CE3-CD2 3.82Å; W154-Y214 HydrophobicContact CE3-CD2 3.82Å; W154-Y214 HydrophobicContact CE3-CG 4.15Å; W154-Y214 AromaticContact CG-CD2 3.7Å; W154-Y214 HydrophobicContact CG-CD2 3.7Å; W154-Y214 HydrophobicContact CG-CG 4.41Å; W154-Y214 VanDerWaalsContact CZ2-CB 3.47Å; W154-Y214 WeakPolarHBondContact CZ2-O 3.39Å; W154-D215 PolarHBondContact NE1-OD1 3.3Å; W154-I218 HydrophobicContact CH2-CB 3.98Å; W154-I218 HydrophobicContact CH2-CD1 4.41Å; W154-I218 HydrophobicContact CH2-CG1 4.2Å; W154-I218 HydrophobicContact CH2-CG2 4.37Å; W154-I218 HydrophobicContact CZ2-CB 4.09Å; W154-I218 HydrophobicContact CZ2-CG2 3.99Å; W154-V251 HydrophobicContact CH2-CG1 4.08Å; W154-V251 HydrophobicContact CZ3-CG1 3.78Å; W154-M255 HydrophobicContact CH2-CG 4.39Å; W154-M255 HydrophobicContact CH2-SD 4.37Å; W154-M255 HydrophobicContact CZ3-SD 4.47Å |
| 155 | M | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 176.9 | -67.1 | -173.2 | -69.3 | 0 | 0 | 111.7 | L151 H152 V153 L157 V158 R159 Y250 Q254 M255 L258 W274 | L151-M155 HydrophobicContact CG-CE 4.46Å; L151-M155 WeakPolarHBondContact O-CG 3.31Å; L151-M155 PolarHBondContact O-N 3.46Å; L151-M155 VanDerWaalsContact O-N 3.08Å; H152-M155 HydrophobicContact CB-CE 4.48Å; H152-M155 PolarHBondContact O-N 3.41Å; V153-M155 PolarHBondContact O-N 2.83Å; M155-L157 VanDerWaalsContact C-N 3.35Å; M155-L157 PolarHBondContact O-N 3.36Å; M155-V158 PolarHBondContact O-N 2.85Å; M155-R159 PolarHBondContact O-N 2.99Å; M155-Y250 HydrophobicContact CE-CE1 4.11Å; M155-Q254 HydrophobicContact CE-CB 4.19Å; M155-Q254 HydrophobicContact CE-CG 4.42Å; M155-Q254 HydrophobicContact SD-CB 3.59Å; M155-Q254 VanDerWaalsContact SD-CB 3.59Å; M155-Q254 HydrophobicContact SD-CG 4.34Å; M155-M255 HydrophobicContact CB-SD 3.73Å; M155-M255 HydrophobicContact CG-CG 4.42Å; M155-M255 HydrophobicContact CG-SD 3.72Å; M155-L258 HydrophobicContact CB-CD1 3.66Å; M155-W274 HydrophobicContact CE-CE3 4.43Å; M155-W274 HydrophobicContact CE-CH2 4.26Å; M155-W274 HydrophobicContact CE-CZ3 3.73Å |
| 156 | C | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.6 | -39.2 | 171.9 | -72 | 0 | 0 | 0 | 0 | 112.9 | M119 H152 V153 W154 M160 W274 | M119-C156 HydrophobicContact CG-CB 4.12Å; M119-C156 HydrophobicContact SD-CB 3.8Å; H152-C156 PolarHBondContact O-N 3.44Å; H152-C156 VanDerWaalsContact O-N 3.14Å; V153-C156 WeakPolarHBondContact O-CB 3.36Å; V153-C156 PolarHBondContact O-N 3.27Å; W154-C156 VanDerWaalsContact C-N 3.33Å; W154-C156 PolarHBondContact O-N 3.22Å; C156-M160 WeakPolarHBondContact O-CB 3.43Å; C156-M160 VanDerWaalsContact O-CG 3.28Å; C156-M160 WeakPolarHBondContact O-CG 3.38Å; C156-M160 PolarHBondContact O-N 2.99Å; C156-W274 VanDerWaalsContact SG-CH2 3.6Å |
| 157 | L | 98.6 | Very high | 97 | Very high | 12 Ų | 12 | 19.9 Ų | 19.9 | 6% | 0.063 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.3 | -39.6 | 176.6 | -64.9 | 176 | 0 | 0 | 0 | 111.9 | V153 W154 M155 K161 C171 I174 V175 F207 I211 | V153-L157 HydrophobicContact CG1-CD1 3.92Å; V153-L157 HydrophobicContact CG1-CG 4.07Å; V153-L157 VanDerWaalsContact O-CG 3.27Å; V153-L157 WeakPolarHBondContact O-CG 3.45Å; V153-L157 PolarHBondContact O-N 2.95Å; W154-L157 CarbonylContact O-C 3.55Å; W154-L157 WeakPolarHBondContact O-CA 3.43Å; W154-L157 WeakPolarHBondContact O-CB 3.37Å; W154-L157 PolarHBondContact O-N 3.31Å; M155-L157 VanDerWaalsContact C-N 3.35Å; M155-L157 PolarHBondContact O-N 3.36Å; L157-K161 WeakPolarHBondContact O-CB 3.45Å; L157-K161 WeakPolarHBondContact O-CG 3.36Å; L157-K161 PolarHBondContact O-N 2.99Å; L157-C171 HydrophobicContact CD2-CB 3.57Å; L157-C171 WeakPolarHBondContact CD2-O 3.28Å; L157-I174 HydrophobicContact CD2-CB 4.34Å; L157-I174 HydrophobicContact CD2-CG2 4.49Å; L157-V175 HydrophobicContact CD1-CG2 3.75Å; L157-V175 HydrophobicContact CD2-CG2 4Å; L157-F207 HydrophobicContact CD1-CZ 4.28Å; L157-I211 HydrophobicContact CD1-CD1 3.94Å |
| 158 | V | 97.8 | Very high | 96.9 | Very high | 24 Ų | 24 | 25.6 Ų | 25.6 | 15% | 0.145 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.2 | -50.2 | 174.9 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | W154 M155 M160 K161 D215 M255 | W154-V158 HydrophobicContact CD2-CG2 4.25Å; W154-V158 VanDerWaalsContact CE2-CG2 3.45Å; W154-V158 HydrophobicContact CG-CG2 4.47Å; W154-V158 HydrophobicContact CZ2-CG2 3.72Å; W154-V158 VanDerWaalsContact NE1-CG2 3.26Å; W154-V158 PolarHBondContact O-N 3.31Å; M155-V158 PolarHBondContact O-N 2.85Å; V158-M160 PolarHBondContact O-N 2.92Å; V158-K161 PolarHBondContact O-N 3.44Å; V158-D215 WeakPolarHBondContact CG2-OD1 3.34Å; V158-M255 HydrophobicContact CB-CE 3.88Å; V158-M255 HydrophobicContact CB-SD 4.41Å; V158-M255 HydrophobicContact CG1-CE 3.51Å |
| 159 | R | 97.6 | Very high | 96.8 | Very high | 13 Ų | 13 | 28.6 Ų | 28.6 | 5% | 0.049 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59 | -47.1 | 178 | 179.6 | 59.9 | -170.2 | 90.2 | -5.9 | 111.9 | M155 Q162 E163 L258 D259 M261 L266 | M155-R159 PolarHBondContact O-N 2.99Å; R159-Q162 WeakPolarHBondContact O-CB 3.46Å; R159-Q162 PolarHBondContact O-N 3.38Å; R159-E163 IonicContact CZ-OE1 2.71Å; R159-E163 IonicContact NH1-OE1 2.65Å; R159-E163 PolarHBondContact NH1-OE1 2.98Å; R159-E163 IonicContact NH2-OE1 3.44Å; R159-E163 PolarHBondContact NH2-OE1 3.36Å; R159-E163 VanDerWaalsContact NH2-OE1 3.12Å; R159-L258 HydrophobicContact CB-CB 4.16Å; R159-L258 WeakPolarHBondContact CD-O 3.13Å; R159-L258 HydrophobicContact CG-CB 4.12Å; R159-L258 PolarHBondContact NE-O 3.24Å; R159-D259 WeakPolarHBondContact CD-OD1 3.34Å; R159-M261 PolarHBondContact NH2-O 3.34Å; R159-L266 HydrophobicContact CG-CD1 4.05Å |
| 160 | M | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -77.1 | -19.2 | -177.7 | -61.9 | -42.6 | -59.2 | 0 | 0 | 114.1 | M119 C156 V158 Q162 E163 G167 M170 L266 L267 | M119-M160 HydrophobicContact CE-CG 3.98Å; M119-M160 HydrophobicContact CE-SD 3.81Å; M119-M160 HydrophobicContact SD-CG 3.78Å; M119-M160 HydrophobicContact SD-SD 4.43Å; C156-M160 WeakPolarHBondContact O-CB 3.43Å; C156-M160 VanDerWaalsContact O-CG 3.28Å; C156-M160 WeakPolarHBondContact O-CG 3.38Å; C156-M160 PolarHBondContact O-N 2.99Å; V158-M160 PolarHBondContact O-N 2.92Å; M160-Q162 PolarHBondContact O-N 3.18Å; M160-E163 HydrophobicContact CE-CB 4.04Å; M160-E163 HydrophobicContact CE-CG 3.57Å; M160-E163 PolarHBondContact O-N 3.46Å; M160-G167 CarbonylContact O-C 3.58Å; M160-G167 WeakPolarHBondContact O-CA 3.43Å; M160-M170 HydrophobicContact CE-SD 3.68Å; M160-M170 HydrophobicContact CG-SD 4.08Å; M160-M170 HydrophobicContact SD-SD 4.32Å; M160-L266 HydrophobicContact CE-CB 4.08Å; M160-L266 HydrophobicContact SD-CB 3.83Å; M160-L266 HydrophobicContact SD-CD1 3.93Å; M160-L267 HydrophobicContact CE-CD2 3.66Å; M160-L267 HydrophobicContact CE-CG 3.71Å |
| 161 | K | 95 | Very high | 96.8 | Very high | 80 Ų | 80 | 29.3 Ų | 29.3 | 35% | 0.348 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -58 | -30.1 | 171.2 | -84.4 | 165.3 | -169.9 | 170.7 | 0 | 112.1 | L157 V158 E163 D215 | L157-K161 WeakPolarHBondContact O-CB 3.45Å; L157-K161 WeakPolarHBondContact O-CG 3.36Å; L157-K161 PolarHBondContact O-N 2.99Å; V158-K161 PolarHBondContact O-N 3.44Å; K161-E163 VanDerWaalsContact C-N 3.33Å; K161-D215 VanDerWaalsContact NZ-CG 3.3Å; K161-D215 IonicContact NZ-OD1 2.62Å; K161-D215 PolarHBondContact NZ-OD1 3.4Å; K161-D215 VanDerWaalsContact NZ-OD1 3.12Å; K161-D215 IonicContact NZ-OD2 3.21Å; K161-D215 PolarHBondContact NZ-OD2 3.05Å |
| 162 | Q | 94.8 | Very high | 96.8 | Very high | 108 Ų | 108 | 38.2 Ų | 38.2 | 51% | 0.505 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -31.7 | -179.1 | -57.4 | 174.1 | 39.2 | 0 | 0 | 112.2 | R159 M160 G164 D259 | R159-Q162 WeakPolarHBondContact O-CB 3.46Å; R159-Q162 PolarHBondContact O-N 3.38Å; M160-Q162 PolarHBondContact O-N 3.18Å; Q162-G164 PolarHBondContact O-N 3.16Å; Q162-D259 PolarHBondContact NE2-OD1 2.7Å |
| 163 | E | 94.9 | Very high | 96.8 | Very high | 51 Ų | 51 | 39.3 Ų | 39.3 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -76 | 35.6 | -178.8 | -56.2 | -54 | 139.4 | 0 | 0 | 113.9 | R159 M160 K161 R165 S166 G167 G263 L267 | R159-E163 IonicContact CZ-OE1 2.71Å; R159-E163 IonicContact NH1-OE1 2.65Å; R159-E163 PolarHBondContact NH1-OE1 2.98Å; R159-E163 IonicContact NH2-OE1 3.44Å; R159-E163 PolarHBondContact NH2-OE1 3.36Å; R159-E163 VanDerWaalsContact NH2-OE1 3.12Å; M160-E163 HydrophobicContact CE-CB 4.04Å; M160-E163 HydrophobicContact CE-CG 3.57Å; M160-E163 PolarHBondContact O-N 3.46Å; K161-E163 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 2.95Å; E163-S166 PolarHBondContact O-N 2.9Å; E163-G167 PolarHBondContact O-N 3.47Å; E163-G263 VanDerWaalsContact CD-CA 3.44Å; E163-G263 WeakPolarHBondContact OE1-CA 3.18Å; E163-L267 HydrophobicContact CB-CD1 3.98Å; E163-L267 HydrophobicContact CB-CG 4.29Å; E163-L267 HydrophobicContact CG-CD1 4.49Å |
| 164 | G | 92.6 | Very high | 96.8 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 35% | 0.351 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | 51.6 | -131.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q162 K168 | Q162-G164 PolarHBondContact O-N 3.16Å; G164-K168 WeakPolarHBondContact O-CB 3.28Å; G164-K168 WeakPolarHBondContact O-CD 3.27Å; G164-K168 WeakPolarHBondContact O-CG 3.12Å; G164-K168 PolarHBondContact O-N 2.86Å |
| 165 | R | 91.5 | Very high | 96.8 | Very high | 85 Ų | 85 | 40.8 Ų | 40.8 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68 | -42.1 | -176.7 | -169.1 | -161.4 | -179.2 | 100.8 | -5 | 112.8 | G100 F101 G103 L105 E163 Y169 | G100-R165 PolarHBondContact O-NH1 3.45Å; F101-R165 VanDerWaalsContact CA-NH1 3.28Å; F101-R165 VanDerWaalsContact O-CZ 3.29Å; F101-R165 PolarHBondContact O-NH1 2.93Å; F101-R165 PolarHBondContact O-NH2 3.12Å; G103-R165 PolarHBondContact O-NE 3.41Å; G103-R165 PolarHBondContact O-NH1 2.65Å; G103-R165 PolarHBondContact O-NH2 2.8Å; L105-R165 HydrophobicContact CD2-CG 3.8Å; E163-R165 PolarHBondContact O-N 2.95Å; R165-Y169 PolarHBondContact O-N 3.24Å |
| 166 | S | 94.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -43.8 | -179.7 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | K106 E163 Y169 M170 | K106-S166 WeakPolarHBondContact CB-OG 3.42Å; K106-S166 PolarHBondContact N-OG 3.49Å; E163-S166 PolarHBondContact O-N 2.9Å; S166-Y169 WeakPolarHBondContact O-CB 3.19Å; S166-Y169 PolarHBondContact O-N 3.15Å; S166-M170 PolarHBondContact O-N 2.86Å |
| 167 | G | 96.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -49.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M160 E163 Y169 M170 C171 | M160-G167 CarbonylContact O-C 3.58Å; M160-G167 WeakPolarHBondContact O-CA 3.43Å; E163-G167 PolarHBondContact O-N 3.47Å; G167-Y169 PolarHBondContact O-N 3.1Å; G167-M170 WeakPolarHBondContact O-CB 3.15Å; G167-M170 PolarHBondContact O-N 3.26Å; G167-M170 VanDerWaalsContact O-N 3.1Å; G167-C171 PolarHBondContact O-N 2.91Å; G167-C171 PolarHBondContact O-SG 3.06Å |
| 168 | K | 96.1 | Very high | 96.8 | Very high | 123 Ų | 123 | 46.4 Ų | 46.4 | 54% | 0.535 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.5 | -32.5 | 173.1 | -72.3 | 167.8 | -172.6 | 177.4 | 0 | 112.9 | G164 R172 | G164-K168 WeakPolarHBondContact O-CB 3.28Å; G164-K168 WeakPolarHBondContact O-CD 3.27Å; G164-K168 WeakPolarHBondContact O-CG 3.12Å; G164-K168 PolarHBondContact O-N 2.86Å; K168-R172 WeakPolarHBondContact O-CG 3.43Å |
| 169 | Y | 96.6 | Very high | 96.8 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 24% | 0.243 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.4 | -47.7 | 171.9 | -177.6 | -112.3 | 0 | 0 | 0 | 111.6 | L105 K109 I112 R165 S166 G167 C171 R172 I173 | L105-Y169 HydrophobicContact CD1-CD1 3.92Å; L105-Y169 HydrophobicContact CD1-CE1 4.31Å; L105-Y169 HydrophobicContact CD1-CG 4.11Å; L105-Y169 HydrophobicContact CD2-CG 4.47Å; K109-Y169 HydrophobicContact CB-CE1 3.94Å; K109-Y169 HydrophobicContact CG-CE1 3.93Å; I112-Y169 HydrophobicContact CB-CD1 4.12Å; I112-Y169 HydrophobicContact CB-CE1 4.34Å; I112-Y169 HydrophobicContact CD1-CD1 4.15Å; I112-Y169 HydrophobicContact CG2-CD1 3.82Å; I112-Y169 HydrophobicContact CG2-CE1 4.37Å; R165-Y169 PolarHBondContact O-N 3.24Å; S166-Y169 WeakPolarHBondContact O-CB 3.19Å; S166-Y169 PolarHBondContact O-N 3.15Å; G167-Y169 PolarHBondContact O-N 3.1Å; Y169-C171 VanDerWaalsContact C-N 3.31Å; Y169-C171 PolarHBondContact O-N 3.02Å; Y169-R172 PolarHBondContact O-N 3.46Å; Y169-R172 VanDerWaalsContact O-N 3.16Å; Y169-I173 HydrophobicContact CE1-CG1 4.23Å; Y169-I173 HydrophobicContact CE2-CD1 4.3Å; Y169-I173 HydrophobicContact CE2-CG1 4.44Å; Y169-I173 PolarHBondContact O-N 3.38Å |
| 170 | M | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.6 | -45 | 176.5 | -163.3 | 179.6 | 172.1 | 0 | 0 | 111.8 | I112 A115 A116 M119 M160 S166 G167 R172 I173 I174 L266 L267 | I112-M170 HydrophobicContact CG2-CB 3.55Å; I112-M170 HydrophobicContact CG2-CG 3.81Å; A115-M170 HydrophobicContact CB-CE 3.82Å; A116-M170 HydrophobicContact CB-CG 3.83Å; M119-M170 HydrophobicContact CB-CE 3.98Å; M119-M170 HydrophobicContact CE-CE 3.61Å; M119-M170 HydrophobicContact CG-CE 4.45Å; M119-M170 HydrophobicContact SD-CE 3.61Å; M160-M170 HydrophobicContact CE-SD 3.68Å; M160-M170 HydrophobicContact CG-SD 4.08Å; M160-M170 HydrophobicContact SD-SD 4.32Å; S166-M170 PolarHBondContact O-N 2.86Å; G167-M170 WeakPolarHBondContact O-CB 3.15Å; G167-M170 PolarHBondContact O-N 3.26Å; G167-M170 VanDerWaalsContact O-N 3.1Å; M170-R172 VanDerWaalsContact C-N 3.31Å; M170-R172 PolarHBondContact O-N 3.23Å; M170-I173 WeakPolarHBondContact O-CA 3.04Å; M170-I173 PolarHBondContact O-N 3.05Å; M170-I174 HydrophobicContact CE-CD1 4.49Å; M170-I174 HydrophobicContact CG-CD1 4.15Å; M170-I174 HydrophobicContact CG-CG1 4.49Å; M170-I174 WeakPolarHBondContact O-CG1 3.48Å; M170-I174 PolarHBondContact O-N 2.96Å; M170-L266 WeakPolarHBondContact CE-O 3.32Å; M170-L267 HydrophobicContact CB-CD2 4.3Å; M170-L267 HydrophobicContact SD-CD2 3.9Å |
| 171 | C | 98.5 | Very high | 96.8 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 11% | 0.108 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -50.9 | -46.6 | 175.5 | -71.3 | 0 | 0 | 0 | 0 | 113 | L157 G167 Y169 I173 I174 V175 | L157-C171 HydrophobicContact CD2-CB 3.57Å; L157-C171 WeakPolarHBondContact CD2-O 3.28Å; G167-C171 PolarHBondContact O-N 2.91Å; G167-C171 PolarHBondContact O-SG 3.06Å; Y169-C171 VanDerWaalsContact C-N 3.31Å; Y169-C171 PolarHBondContact O-N 3.02Å; C171-I173 VanDerWaalsContact C-N 3.26Å; C171-I173 PolarHBondContact O-N 2.94Å; C171-I174 PolarHBondContact O-N 3.47Å; C171-V175 WeakPolarHBondContact O-CG2 3.49Å; C171-V175 PolarHBondContact O-N 2.99Å; C171-V175 VanDerWaalsContact O-N 3.11Å |
| 172 | R | 98.3 | Very high | 96.9 | Very high | 187 Ų | 187 | 48.6 Ų | 48.6 | 71% | 0.706 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66.2 | -30.2 | 179.5 | -63.7 | 175.4 | 85.9 | 179.1 | 7.4 | 112.1 | K168 Y169 M170 H176 | K168-R172 WeakPolarHBondContact O-CG 3.43Å; Y169-R172 PolarHBondContact O-N 3.46Å; Y169-R172 VanDerWaalsContact O-N 3.16Å; M170-R172 VanDerWaalsContact C-N 3.31Å; M170-R172 PolarHBondContact O-N 3.23Å; R172-H176 PolarHBondContact O-N 3.36Å |
| 173 | I | 98.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -79.8 | -36.1 | 177.3 | -55.9 | -60.3 | 0 | 0 | 0 | 111.8 | K113 A116 Y169 M170 C171 H176 F177 | K113-I173 HydrophobicContact CB-CG2 4.44Å; K113-I173 HydrophobicContact CG-CG2 4.03Å; A116-I173 HydrophobicContact CB-CB 3.67Å; A116-I173 HydrophobicContact CB-CG2 3.47Å; A116-I173 VanDerWaalsContact CB-CG2 3.47Å; Y169-I173 HydrophobicContact CE1-CG1 4.23Å; Y169-I173 HydrophobicContact CE2-CD1 4.3Å; Y169-I173 HydrophobicContact CE2-CG1 4.44Å; Y169-I173 PolarHBondContact O-N 3.38Å; M170-I173 WeakPolarHBondContact O-CA 3.04Å; M170-I173 PolarHBondContact O-N 3.05Å; C171-I173 VanDerWaalsContact C-N 3.26Å; C171-I173 PolarHBondContact O-N 2.94Å; I173-H176 WeakPolarHBondContact O-CB 3.33Å; I173-H176 PolarHBondContact O-N 3.24Å; I173-F177 HydrophobicContact CG2-CD2 3.78Å; I173-F177 HydrophobicContact CG2-CE2 3.39Å; I173-F177 HydrophobicContact CG2-CZ 4.26Å; I173-F177 VanDerWaalsContact O-CD2 3.25Å; I173-F177 WeakPolarHBondContact O-CD2 3.36Å; I173-F177 PolarHBondContact O-N 2.92Å |
| 174 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -48.2 | 172.7 | -64.2 | 164 | 0 | 0 | 0 | 110 | A116 M119 Y120 V153 L157 M170 C171 H176 F177 M178 | A116-I174 HydrophobicContact CB-CG1 3.91Å; M119-I174 HydrophobicContact CG-CD1 4.2Å; M119-I174 HydrophobicContact SD-CD1 3.51Å; M119-I174 VanDerWaalsContact SD-CD1 3.51Å; Y120-I174 HydrophobicContact CD2-CG2 4.45Å; V153-I174 HydrophobicContact CG1-CG2 3.9Å; V153-I174 HydrophobicContact CG2-CG2 4.35Å; L157-I174 HydrophobicContact CD2-CB 4.34Å; L157-I174 HydrophobicContact CD2-CG2 4.49Å; M170-I174 HydrophobicContact CE-CD1 4.49Å; M170-I174 HydrophobicContact CG-CD1 4.15Å; M170-I174 HydrophobicContact CG-CG1 4.49Å; M170-I174 WeakPolarHBondContact O-CG1 3.48Å; M170-I174 PolarHBondContact O-N 2.96Å; C171-I174 PolarHBondContact O-N 3.47Å; I174-H176 VanDerWaalsContact C-N 3.31Å; I174-H176 PolarHBondContact O-N 3.26Å; I174-F177 PolarHBondContact O-N 3.03Å; I174-M178 PolarHBondContact O-N 2.97Å |
| 175 | V | 98.6 | Very high | 97.1 | Very high | 30 Ų | 30 | 47.8 Ų | 47.8 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -35.9 | 177.2 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | L157 C171 M178 W179 F207 | L157-V175 HydrophobicContact CD1-CG2 3.75Å; L157-V175 HydrophobicContact CD2-CG2 4Å; C171-V175 WeakPolarHBondContact O-CG2 3.49Å; C171-V175 PolarHBondContact O-N 2.99Å; C171-V175 VanDerWaalsContact O-N 3.11Å; V175-M178 PolarHBondContact O-N 2.9Å; V175-W179 PolarHBondContact O-N 3.12Å; V175-W179 VanDerWaalsContact O-N 3.13Å; V175-F207 HydrophobicContact CG1-CE2 4.28Å; V175-F207 HydrophobicContact CG1-CZ 4Å; V175-F207 HydrophobicContact CG2-CE2 4.21Å; V175-F207 HydrophobicContact CG2-CZ 3.76Å |
| 176 | H | 98.4 | Very high | 97.1 | Very high | 98 Ų | 98 | 43.7 Ų | 43.7 | 45% | 0.454 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.1 | -50.6 | 171.8 | 173.8 | -57.1 | 0 | 0 | 0 | 111.6 | R172 I173 I174 M178 W179 E180 | R172-H176 PolarHBondContact O-N 3.36Å; I173-H176 WeakPolarHBondContact O-CB 3.33Å; I173-H176 PolarHBondContact O-N 3.24Å; I174-H176 VanDerWaalsContact C-N 3.31Å; I174-H176 PolarHBondContact O-N 3.26Å; H176-M178 VanDerWaalsContact C-N 3.3Å; H176-M178 PolarHBondContact O-N 2.85Å; H176-W179 PolarHBondContact O-N 3.46Å; H176-E180 WeakPolarHBondContact O-CG 3.3Å; H176-E180 PolarHBondContact O-N 3.07Å |
| 177 | F | 98.6 | Very high | 97 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -34.3 | 179.6 | -71.8 | -55.5 | 0 | 0 | 0 | 112.8 | K113 A116 L117 Y120 I173 I174 E180 D181 | K113-F177 HydrophobicContact CG-CE2 4.22Å; K113-F177 HydrophobicContact CG-CZ 4.04Å; A116-F177 HydrophobicContact CB-CE2 4.48Å; L117-F177 HydrophobicContact CB-CD2 4.04Å; L117-F177 HydrophobicContact CB-CE2 3.53Å; L117-F177 HydrophobicContact CB-CZ 3.85Å; L117-F177 HydrophobicContact CD1-CD1 3.89Å; L117-F177 HydrophobicContact CD1-CD2 4.1Å; L117-F177 HydrophobicContact CD1-CE1 3.93Å; L117-F177 HydrophobicContact CD1-CE2 4.13Å; L117-F177 HydrophobicContact CD1-CG 3.97Å; L117-F177 HydrophobicContact CD1-CZ 4.04Å; L117-F177 HydrophobicContact CD2-CZ 4.4Å; L117-F177 HydrophobicContact CG-CE2 4.35Å; L117-F177 HydrophobicContact CG-CZ 4.32Å; Y120-F177 HydrophobicContact CD1-CB 3.87Å; Y120-F177 HydrophobicContact CG-CB 3.94Å; I173-F177 HydrophobicContact CG2-CD2 3.78Å; I173-F177 HydrophobicContact CG2-CE2 3.39Å; I173-F177 HydrophobicContact CG2-CZ 4.26Å; I173-F177 VanDerWaalsContact O-CD2 3.25Å; I173-F177 WeakPolarHBondContact O-CD2 3.36Å; I173-F177 PolarHBondContact O-N 2.92Å; I174-F177 PolarHBondContact O-N 3.03Å; F177-E180 PolarHBondContact O-N 3.07Å; F177-D181 PolarHBondContact O-N 3.45Å |
| 178 | M | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 172.4 | -177.1 | 177 | 175.7 | 0 | 0 | 112.8 | Y120 F146 L150 V153 I174 V175 H176 D181 V182 F207 | Y120-M178 HydrophobicContact CD2-CB 4.04Å; Y120-M178 VanDerWaalsContact CE2-CA 3.46Å; Y120-M178 HydrophobicContact CE2-CB 3.54Å; Y120-M178 HydrophobicContact CE2-CG 3.91Å; F146-M178 HydrophobicContact CD2-CE 3.95Å; F146-M178 HydrophobicContact CE2-CE 3.52Å; F146-M178 HydrophobicContact CZ-CE 4.22Å; L150-M178 HydrophobicContact CB-CE 3.87Å; L150-M178 HydrophobicContact CD1-CE 4.05Å; V153-M178 HydrophobicContact CB-SD 3.98Å; V153-M178 HydrophobicContact CG1-SD 3.79Å; V153-M178 HydrophobicContact CG2-SD 3.92Å; I174-M178 PolarHBondContact O-N 2.97Å; V175-M178 PolarHBondContact O-N 2.9Å; H176-M178 VanDerWaalsContact C-N 3.3Å; H176-M178 PolarHBondContact O-N 2.85Å; M178-D181 PolarHBondContact O-N 2.96Å; M178-V182 WeakPolarHBondContact O-CG2 3.28Å; M178-V182 PolarHBondContact O-N 3.37Å; M178-F207 HydrophobicContact CE-CD2 4.26Å; M178-F207 HydrophobicContact SD-CD2 4.27Å; M178-F207 HydrophobicContact SD-CE2 4.07Å |
| 179 | W | 98 | Very high | 96.6 | Very high | 41 Ų | 41 | 50.7 Ų | 50.7 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.5 | -28.9 | 178.9 | -68.1 | 122.3 | 0 | 0 | 0 | 113.5 | F146 V175 H176 V182 Q183 M203 F207 | F146-W179 AromaticContact CE2-CH2 3.73Å; F146-W179 HydrophobicContact CE2-CH2 3.73Å; F146-W179 AromaticContact CE2-CZ3 3.78Å; F146-W179 HydrophobicContact CE2-CZ3 3.78Å; F146-W179 AromaticContact CZ-CH2 3.83Å; F146-W179 HydrophobicContact CZ-CH2 3.83Å; F146-W179 HydrophobicContact CZ-CZ3 4.27Å; V175-W179 PolarHBondContact O-N 3.12Å; V175-W179 VanDerWaalsContact O-N 3.13Å; H176-W179 PolarHBondContact O-N 3.46Å; W179-V182 HydrophobicContact CE3-CB 4.05Å; W179-V182 HydrophobicContact CE3-CG1 3.95Å; W179-V182 HydrophobicContact CE3-CG2 4.11Å; W179-V182 HydrophobicContact CZ3-CB 4.49Å; W179-V182 HydrophobicContact CZ3-CG1 4.11Å; W179-V182 HydrophobicContact CZ3-CG2 4.26Å; W179-Q183 VanDerWaalsContact O-CG 3.32Å; W179-Q183 WeakPolarHBondContact O-CG 3.34Å; W179-Q183 PolarHBondContact O-N 3.47Å; W179-Q183 PolarHBondContact O-NE2 3.36Å; W179-M203 HydrophobicContact CH2-CB 4.05Å; W179-M203 HydrophobicContact CZ3-CB 3.99Å; W179-F207 HydrophobicContact CH2-CB 4.09Å; W179-F207 HydrophobicContact CZ2-CB 3.72Å; W179-F207 AromaticContact CZ2-CD2 3.77Å; W179-F207 HydrophobicContact CZ2-CD2 3.77Å; W179-F207 AromaticContact CZ2-CG 3.8Å; W179-F207 HydrophobicContact CZ2-CG 3.8Å |
| 180 | E | 97.9 | Very high | 96.4 | Very high | 90 Ų | 90 | 50.9 Ų | 50.9 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 170.6 | -72 | -63.4 | 100.3 | 0 | 0 | 111.9 | H176 F177 Q183 Q184 | H176-E180 WeakPolarHBondContact O-CG 3.3Å; H176-E180 PolarHBondContact O-N 3.07Å; F177-E180 PolarHBondContact O-N 3.07Å; E180-Q183 PolarHBondContact O-N 2.99Å; E180-Q183 PolarHBondContact OE1-NE2 3.06Å; E180-Q184 VanDerWaalsContact O-CB 3.24Å; E180-Q184 WeakPolarHBondContact O-CB 3.44Å; E180-Q184 PolarHBondContact O-N 3.02Å |
| 181 | D | 97.8 | Very high | 95.9 | Very high | 31 Ų | 31 | 51.9 Ų | 51.9 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.3 | -38.5 | 176.9 | -166.2 | 17.8 | 0 | 0 | 0 | 112.1 | Y120 F177 M178 Q183 Q184 R185 | Y120-D181 HydrophobicContact CE1-CB 3.79Å; Y120-D181 WeakPolarHBondContact OH-CB 3.39Å; Y120-D181 PolarHBondContact OH-OD2 3.22Å; F177-D181 PolarHBondContact O-N 3.45Å; M178-D181 PolarHBondContact O-N 2.96Å; D181-Q183 PolarHBondContact O-N 3.12Å; D181-Q184 PolarHBondContact O-N 3.46Å; D181-R185 WeakPolarHBondContact O-CB 3.49Å; D181-R185 VanDerWaalsContact O-CG 3.32Å; D181-R185 WeakPolarHBondContact O-CG 3.26Å; D181-R185 PolarHBondContact O-N 2.83Å; D181-R185 IonicContact OD1-CZ 3.56Å; D181-R185 IonicContact OD1-NE 3.12Å; D181-R185 PolarHBondContact OD1-NE 2.84Å; D181-R185 IonicContact OD1-NH2 3.55Å; D181-R185 IonicContact OD2-CZ 2.79Å; D181-R185 VanDerWaalsContact OD2-CZ 3.24Å; D181-R185 IonicContact OD2-NE 2.65Å; D181-R185 PolarHBondContact OD2-NE 2.84Å; D181-R185 IonicContact OD2-NH2 2.78Å; D181-R185 PolarHBondContact OD2-NH2 3.21Å |
| 182 | V | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.3 | -47.1 | 170.9 | 161.8 | 0 | 0 | 0 | 0 | 111.6 | F142 W145 F146 M178 W179 G186 M200 M203 | F142-V182 HydrophobicContact CZ-CB 4.45Å; F142-V182 HydrophobicContact CZ-CG1 4.15Å; F142-V182 HydrophobicContact CZ-CG2 4.45Å; W145-V182 HydrophobicContact CH2-CG2 4.07Å; W145-V182 HydrophobicContact CZ3-CG2 3.96Å; F146-V182 HydrophobicContact CD2-CG2 3.92Å; F146-V182 HydrophobicContact CE2-CG2 4.23Å; M178-V182 WeakPolarHBondContact O-CG2 3.28Å; M178-V182 PolarHBondContact O-N 3.37Å; W179-V182 HydrophobicContact CE3-CB 4.05Å; W179-V182 HydrophobicContact CE3-CG1 3.95Å; W179-V182 HydrophobicContact CE3-CG2 4.11Å; W179-V182 HydrophobicContact CZ3-CB 4.49Å; W179-V182 HydrophobicContact CZ3-CG1 4.11Å; W179-V182 HydrophobicContact CZ3-CG2 4.26Å; V182-G186 PolarHBondContact O-N 3.42Å; V182-M200 HydrophobicContact CG1-CG 4.36Å; V182-M203 HydrophobicContact CG1-CE 3.67Å; V182-M203 HydrophobicContact CG1-SD 4.2Å; V182-M203 HydrophobicContact CG2-CE 4.01Å |
| 183 | Q | 95.8 | Very high | 95.5 | Very high | 58 Ų | 58 | 51.5 Ų | 51.5 | 27% | 0.271 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 176.2 | -74.6 | 169.6 | 99.3 | 0 | 0 | 112 | W179 E180 D181 R185 G186 R187 M200 | W179-Q183 VanDerWaalsContact O-CG 3.32Å; W179-Q183 WeakPolarHBondContact O-CG 3.34Å; W179-Q183 PolarHBondContact O-N 3.47Å; W179-Q183 PolarHBondContact O-NE2 3.36Å; E180-Q183 PolarHBondContact O-N 2.99Å; E180-Q183 PolarHBondContact OE1-NE2 3.06Å; D181-Q183 PolarHBondContact O-N 3.12Å; Q183-R185 PolarHBondContact O-N 3.08Å; Q183-G186 PolarHBondContact O-N 3.14Å; Q183-R187 WeakPolarHBondContact O-CG 3.28Å; Q183-R187 PolarHBondContact O-N 3.11Å; Q183-M200 HydrophobicContact CG-CE 3.43Å; Q183-M200 VanDerWaalsContact CG-CE 3.43Å; Q183-M200 HydrophobicContact CG-SD 3.52Å; Q183-M200 VanDerWaalsContact CG-SD 3.52Å |
| 184 | Q | 95.9 | Very high | 95.2 | Very high | 95 Ų | 95 | 58.9 Ų | 58.9 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.3 | -49.1 | -179.2 | -173.2 | 71.2 | -17 | 0 | 0 | 111 | E180 D181 R187 V188 | E180-Q184 VanDerWaalsContact O-CB 3.24Å; E180-Q184 WeakPolarHBondContact O-CB 3.44Å; E180-Q184 PolarHBondContact O-N 3.02Å; D181-Q184 PolarHBondContact O-N 3.46Å; Q184-R187 PolarHBondContact O-N 3.29Å; Q184-V188 WeakPolarHBondContact O-CG2 3.37Å; Q184-V188 PolarHBondContact O-N 3.26Å |
| 185 | R | 94.4 | Very high | 94.9 | Very high | 23 Ų | 23 | 62.7 Ų | 62.7 | 9% | 0.087 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 177.4 | -69.7 | 174.7 | -169.6 | -140.2 | 15 | 112.3 | F142 W145 D181 Q183 R187 V188 M189 | F142-R185 HydrophobicContact CD2-CB 4.28Å; F142-R185 HydrophobicContact CE2-CB 3.6Å; F142-R185 HydrophobicContact CZ-CB 4.47Å; W145-R185 VanDerWaalsContact NE1-NH1 3.14Å; D181-R185 WeakPolarHBondContact O-CB 3.49Å; D181-R185 VanDerWaalsContact O-CG 3.32Å; D181-R185 WeakPolarHBondContact O-CG 3.26Å; D181-R185 PolarHBondContact O-N 2.83Å; D181-R185 IonicContact OD1-CZ 3.56Å; D181-R185 IonicContact OD1-NE 3.12Å; D181-R185 PolarHBondContact OD1-NE 2.84Å; D181-R185 IonicContact OD1-NH2 3.55Å; D181-R185 IonicContact OD2-CZ 2.79Å; D181-R185 VanDerWaalsContact OD2-CZ 3.24Å; D181-R185 IonicContact OD2-NE 2.65Å; D181-R185 PolarHBondContact OD2-NE 2.84Å; D181-R185 IonicContact OD2-NH2 2.78Å; D181-R185 PolarHBondContact OD2-NH2 3.21Å; Q183-R185 PolarHBondContact O-N 3.08Å; R185-R187 VanDerWaalsContact C-N 3.3Å; R185-R187 PolarHBondContact O-N 3.43Å; R185-V188 PolarHBondContact O-N 3.41Å; R185-M189 WeakPolarHBondContact O-CB 3.47Å; R185-M189 VanDerWaalsContact O-CG 3.27Å; R185-M189 WeakPolarHBondContact O-CG 3.43Å; R185-M189 PolarHBondContact O-N 3.34Å |
| 186 | G | 92.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.1 | -41.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V182 Q183 V191 | V182-G186 PolarHBondContact O-N 3.42Å; Q183-G186 PolarHBondContact O-N 3.14Å; G186-V191 WeakPolarHBondContact O-CB 3.4Å; G186-V191 VanDerWaalsContact O-CG2 3.29Å; G186-V191 WeakPolarHBondContact O-CG2 3.49Å; G186-V191 PolarHBondContact O-N 2.97Å; G186-V191 VanDerWaalsContact O-N 3.12Å |
| 187 | R | 92.9 | Very high | 94.3 | Very high | 147 Ų | 147 | 64.3 Ų | 64.3 | 56% | 0.555 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.6 | -45.9 | 173.3 | -68.8 | -172.9 | -64 | -152.3 | -0.3 | 112.5 | Q183 Q184 R185 M189 G190 L196 | Q183-R187 WeakPolarHBondContact O-CG 3.28Å; Q183-R187 PolarHBondContact O-N 3.11Å; Q184-R187 PolarHBondContact O-N 3.29Å; R185-R187 VanDerWaalsContact C-N 3.3Å; R185-R187 PolarHBondContact O-N 3.43Å; R187-M189 VanDerWaalsContact C-N 3.31Å; R187-M189 PolarHBondContact O-N 3.17Å; R187-G190 PolarHBondContact O-N 3.15Å; R187-L196 HydrophobicContact CG-CD2 4.3Å |
| 188 | V | 94.1 | Very high | 94 | Very high | 73 Ų | 73 | 68.9 Ų | 68.9 | 44% | 0.442 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.5 | -32.7 | -179.9 | 172.2 | 0 | 0 | 0 | 0 | 112.3 | L4 Q184 R185 G190 | L4-V188 HydrophobicContact CD2-CG1 3.79Å; Q184-V188 WeakPolarHBondContact O-CG2 3.37Å; Q184-V188 PolarHBondContact O-N 3.26Å; R185-V188 PolarHBondContact O-N 3.41Å; V188-G190 PolarHBondContact O-N 3.46Å |
| 189 | M | 90.3 | Very high | 93.7 | Very high | 57 Ų | 57 | 69.6 Ų | 69.6 | 28% | 0.281 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 6.2 | 173.3 | -68.3 | 176.8 | 175 | 0 | 0 | 113.6 | V7 W17 F142 R185 R187 V191 | V7-M189 HydrophobicContact CG1-CG 4.22Å; V7-M189 HydrophobicContact CG2-CE 3.69Å; W17-M189 HydrophobicContact CZ2-CB 4.25Å; W17-M189 HydrophobicContact CZ2-SD 3.63Å; F142-M189 HydrophobicContact CB-CE 4.13Å; F142-M189 HydrophobicContact CB-SD 3.98Å; F142-M189 HydrophobicContact CD2-CE 3.83Å; F142-M189 HydrophobicContact CD2-SD 3.84Å; F142-M189 HydrophobicContact CG-CE 4.38Å; F142-M189 HydrophobicContact CG-SD 4.08Å; R185-M189 WeakPolarHBondContact O-CB 3.47Å; R185-M189 VanDerWaalsContact O-CG 3.27Å; R185-M189 WeakPolarHBondContact O-CG 3.43Å; R185-M189 PolarHBondContact O-N 3.34Å; R187-M189 VanDerWaalsContact C-N 3.31Å; R187-M189 PolarHBondContact O-N 3.17Å; M189-V191 VanDerWaalsContact C-N 3.3Å; M189-V191 HydrophobicContact CB-CG2 4.28Å; M189-V191 PolarHBondContact O-N 3.02Å |
| 190 | G | 90.7 | Very high | 93.5 | Very high | 66 Ų | 66 | 69.4 Ų | 69.4 | 68% | 0.68 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 17.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R187 V188 N192 | R187-G190 PolarHBondContact O-N 3.15Å; V188-G190 PolarHBondContact O-N 3.46Å; G190-N192 PolarHBondContact O-N 2.92Å |
| 191 | V | 89.5 | Confident | 93.4 | Very high | 21 Ų | 21 | 69.8 Ų | 69.8 | 13% | 0.127 | 35% | 0.351 | C | S | . | . | trans | -67.5 | 131.7 | -177.8 | -173 | 0 | 0 | 0 | 0 | 110.4 | W17 G186 M189 I195 L196 | W17-V191 HydrophobicContact CD2-CG2 3.87Å; W17-V191 HydrophobicContact CE3-CG2 4.42Å; W17-V191 HydrophobicContact CG-CG2 4.43Å; W17-V191 HydrophobicContact CH2-CG2 3.86Å; W17-V191 HydrophobicContact CZ2-CG2 3.28Å; W17-V191 HydrophobicContact CZ3-CG2 4.4Å; G186-V191 WeakPolarHBondContact O-CB 3.4Å; G186-V191 VanDerWaalsContact O-CG2 3.29Å; G186-V191 WeakPolarHBondContact O-CG2 3.49Å; G186-V191 PolarHBondContact O-N 2.97Å; G186-V191 VanDerWaalsContact O-N 3.12Å; M189-V191 VanDerWaalsContact C-N 3.3Å; M189-V191 HydrophobicContact CB-CG2 4.28Å; M189-V191 PolarHBondContact O-N 3.02Å; V191-I195 HydrophobicContact CG1-CB 4.19Å; V191-I195 HydrophobicContact CG1-CG2 4.16Å; V191-L196 HydrophobicContact CB-CB 4.36Å; V191-L196 HydrophobicContact CG1-CB 3.91Å | ||
| 192 | N | 93.7 | Very high | 93.2 | Very high | 91 Ų | 91 | 71.3 Ų | 71.3 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | trans | -53.6 | 127 | 172.6 | -179.2 | -66.1 | 0 | 0 | 0 | 110.5 | G190 Y194 I195 L196 | G190-N192 PolarHBondContact O-N 2.92Å; N192-Y194 PolarHBondContact O-N 3.37Å; N192-Y194 VanDerWaalsContact O-N 3.07Å; N192-Y194 WeakPolarHBondContact OD1-CB 3.17Å; N192-Y194 PolarHBondContact OD1-N 3.11Å; N192-I195 HydrophobicContact CB-CB 4.35Å; N192-I195 HydrophobicContact CB-CD1 4.06Å; N192-I195 HydrophobicContact CB-CG1 4.11Å; N192-I195 WeakPolarHBondContact O-CA 3.42Å; N192-I195 PolarHBondContact O-N 3.37Å; N192-L196 PolarHBondContact O-N 2.9Å | ||
| 193 | P | 92.9 | Very high | 93.2 | Very high | 104 Ų | 104 | 72.1 Ų | 72.1 | 68% | 0.675 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -55.6 | -30.6 | -174.1 | -30.3 | 36.3 | 0 | 0 | 0 | 115.6 | K197 | P193-K197 WeakPolarHBondContact O-CB 3.3Å; P193-K197 PolarHBondContact O-N 2.98Å |
| 194 | Y | 93.8 | Very high | 93.2 | Very high | 177 Ų | 177 | 71.4 Ų | 71.4 | 69% | 0.694 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -69.2 | -42.8 | 175.2 | 174.6 | -92.7 | 0 | 0 | 0 | 111.8 | N192 K197 K198 | N192-Y194 PolarHBondContact O-N 3.37Å; N192-Y194 VanDerWaalsContact O-N 3.07Å; N192-Y194 WeakPolarHBondContact OD1-CB 3.17Å; N192-Y194 PolarHBondContact OD1-N 3.11Å; Y194-K197 PolarHBondContact O-N 3.35Å; Y194-K198 PolarHBondContact O-N 3.29Å |
| 195 | I | 91.8 | Very high | 93.2 | Very high | 80 Ų | 80 | 71.5 Ų | 71.5 | 41% | 0.41 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 176.1 | -59.7 | -179.5 | 0 | 0 | 0 | 110 | V191 N192 K197 K198 N199 | V191-I195 HydrophobicContact CG1-CB 4.19Å; V191-I195 HydrophobicContact CG1-CG2 4.16Å; N192-I195 HydrophobicContact CB-CB 4.35Å; N192-I195 HydrophobicContact CB-CD1 4.06Å; N192-I195 HydrophobicContact CB-CG1 4.11Å; N192-I195 WeakPolarHBondContact O-CA 3.42Å; N192-I195 PolarHBondContact O-N 3.37Å; I195-K197 PolarHBondContact O-N 3.37Å; I195-K198 PolarHBondContact O-N 2.94Å; I195-N199 WeakPolarHBondContact O-CB 3.36Å; I195-N199 PolarHBondContact O-N 3.15Å |
| 196 | L | 90.9 | Very high | 93.3 | Very high | 13 Ų | 13 | 71.7 Ų | 71.7 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 175.5 | -177.5 | 57.2 | 0 | 0 | 0 | 111.2 | W17 R187 V191 N192 K198 N199 M200 | W17-L196 HydrophobicContact CH2-CD1 4.23Å; W17-L196 HydrophobicContact CZ3-CD1 4.22Å; R187-L196 HydrophobicContact CG-CD2 4.3Å; V191-L196 HydrophobicContact CB-CB 4.36Å; V191-L196 HydrophobicContact CG1-CB 3.91Å; N192-L196 PolarHBondContact O-N 2.9Å; L196-K198 VanDerWaalsContact C-N 3.35Å; L196-K198 PolarHBondContact O-N 3.23Å; L196-N199 PolarHBondContact O-N 3.03Å; L196-M200 HydrophobicContact CD1-CG 4.43Å; L196-M200 HydrophobicContact CG-SD 4.44Å; L196-M200 WeakPolarHBondContact O-CG 2.9Å; L196-M200 PolarHBondContact O-N 3.26Å |
| 197 | K | 92.8 | Very high | 93.5 | Very high | 150 Ų | 150 | 72.3 Ų | 72.3 | 65% | 0.652 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.7 | -41.3 | 176.3 | -173 | 178.4 | -178.1 | 179.6 | 0 | 112.6 | P193 Y194 I195 I201 | P193-K197 WeakPolarHBondContact O-CB 3.3Å; P193-K197 PolarHBondContact O-N 2.98Å; Y194-K197 PolarHBondContact O-N 3.35Å; I195-K197 PolarHBondContact O-N 3.37Å; K197-I201 PolarHBondContact O-N 2.86Å |
| 198 | K | 94 | Very high | 93.8 | Very high | 129 Ų | 129 | 72.1 Ų | 72.1 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | 175.7 | -175.3 | 179 | 178.5 | -179.1 | 0 | 111.6 | Y194 I195 L196 I201 | Y194-K198 PolarHBondContact O-N 3.29Å; I195-K198 PolarHBondContact O-N 2.94Å; L196-K198 VanDerWaalsContact C-N 3.35Å; L196-K198 PolarHBondContact O-N 3.23Å; K198-I201 PolarHBondContact O-N 3.47Å |
| 199 | N | 91.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.08 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.1 | -37.2 | -179.6 | -73.5 | -8.2 | 0 | 0 | 0 | 112 | W17 I195 L196 I201 L202 M203 | W17-N199 PolarHBondContact O-ND2 3.03Å; I195-N199 WeakPolarHBondContact O-CB 3.36Å; I195-N199 PolarHBondContact O-N 3.15Å; L196-N199 PolarHBondContact O-N 3.03Å; N199-I201 VanDerWaalsContact C-N 3.26Å; N199-I201 PolarHBondContact O-N 3.07Å; N199-L202 PolarHBondContact O-N 3.47Å; N199-L202 VanDerWaalsContact O-N 3.09Å; N199-M203 VanDerWaalsContact O-CG 3.29Å; N199-M203 WeakPolarHBondContact O-CG 3.46Å; N199-M203 PolarHBondContact O-N 3.02Å |
| 200 | M | 94.5 | Very high | 94.3 | Very high | 38 Ų | 38 | 68.3 Ų | 68.3 | 19% | 0.187 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.1 | -36.4 | 173.8 | -76.8 | 179.2 | 71.4 | 0 | 0 | 113 | V182 Q183 L196 M203 T204 | V182-M200 HydrophobicContact CG1-CG 4.36Å; Q183-M200 HydrophobicContact CG-CE 3.43Å; Q183-M200 VanDerWaalsContact CG-CE 3.43Å; Q183-M200 HydrophobicContact CG-SD 3.52Å; Q183-M200 VanDerWaalsContact CG-SD 3.52Å; L196-M200 HydrophobicContact CD1-CG 4.43Å; L196-M200 HydrophobicContact CG-SD 4.44Å; L196-M200 WeakPolarHBondContact O-CG 2.9Å; L196-M200 PolarHBondContact O-N 3.26Å; M200-M203 PolarHBondContact O-N 3.45Å; M200-T204 VanDerWaalsContact O-CB 3.32Å; M200-T204 WeakPolarHBondContact O-CB 3.29Å; M200-T204 PolarHBondContact O-N 3.37Å; M200-T204 PolarHBondContact O-OG1 3.16Å |
| 201 | I | 94.7 | Very high | 94.6 | Very high | 98 Ų | 98 | 66.2 Ų | 66.2 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 176.2 | -63.8 | 164.4 | 0 | 0 | 0 | 110.5 | K197 K198 N199 T204 N205 | K197-I201 PolarHBondContact O-N 2.86Å; K198-I201 PolarHBondContact O-N 3.47Å; N199-I201 VanDerWaalsContact C-N 3.26Å; N199-I201 PolarHBondContact O-N 3.07Å; I201-T204 WeakPolarHBondContact O-CB 3.48Å; I201-T204 PolarHBondContact O-N 3.09Å; I201-N205 PolarHBondContact O-N 2.73Å; I201-N205 PolarHBondContact O-OD1 2.66Å |
| 202 | L | 94 | Very high | 95 | Very high | 63 Ų | 63 | 71.2 Ų | 71.2 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 177.6 | -60.7 | 174.3 | 0 | 0 | 0 | 111.6 | P19 N199 T204 N205 H206 | P19-L202 HydrophobicContact CG-CB 4.41Å; P19-L202 HydrophobicContact CG-CD1 3.59Å; N199-L202 PolarHBondContact O-N 3.47Å; N199-L202 VanDerWaalsContact O-N 3.09Å; L202-T204 VanDerWaalsContact C-N 3.3Å; L202-T204 PolarHBondContact O-N 3.34Å; L202-N205 PolarHBondContact O-N 3.3Å; L202-H206 PolarHBondContact O-N 3.28Å |
| 203 | M | 95.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 67.2 Ų | 67.2 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -33.4 | 172.3 | -65.4 | 170 | 74.6 | 0 | 0 | 112.2 | F142 F146 W179 V182 N199 M200 H206 F207 | F142-M203 HydrophobicContact CD1-CE 4.49Å; F142-M203 HydrophobicContact CE1-CE 3.56Å; F142-M203 HydrophobicContact CE1-SD 3.98Å; F142-M203 HydrophobicContact CZ-CE 4.07Å; F146-M203 HydrophobicContact CB-CE 4.01Å; F146-M203 HydrophobicContact CD1-CE 4.05Å; F146-M203 HydrophobicContact CD2-CE 3.23Å; F146-M203 HydrophobicContact CE1-CB 4.19Å; F146-M203 HydrophobicContact CE1-CE 4.35Å; F146-M203 HydrophobicContact CE1-CG 4.44Å; F146-M203 HydrophobicContact CE2-CB 4.28Å; F146-M203 HydrophobicContact CE2-CE 3.58Å; F146-M203 HydrophobicContact CG-CE 3.49Å; F146-M203 VanDerWaalsContact CG-CE 3.49Å; F146-M203 HydrophobicContact CZ-CB 3.88Å; F146-M203 HydrophobicContact CZ-CE 4.14Å; F146-M203 HydrophobicContact CZ-CG 4.49Å; W179-M203 HydrophobicContact CH2-CB 4.05Å; W179-M203 HydrophobicContact CZ3-CB 3.99Å; V182-M203 HydrophobicContact CG1-CE 3.67Å; V182-M203 HydrophobicContact CG1-SD 4.2Å; V182-M203 HydrophobicContact CG2-CE 4.01Å; N199-M203 VanDerWaalsContact O-CG 3.29Å; N199-M203 WeakPolarHBondContact O-CG 3.46Å; N199-M203 PolarHBondContact O-N 3.02Å; M200-M203 PolarHBondContact O-N 3.45Å; M203-H206 PolarHBondContact O-N 2.88Å; M203-F207 WeakPolarHBondContact O-CB 3.2Å; M203-F207 PolarHBondContact O-N 2.93Å |
| 204 | T | 97.2 | Very high | 95.4 | Very high | 42 Ų | 42 | 62.2 Ų | 62.2 | 26% | 0.258 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.3 | -42 | 176.2 | -61.4 | 0 | 0 | 0 | 0 | 111 | M200 I201 L202 H206 F207 Y208 | M200-T204 VanDerWaalsContact O-CB 3.32Å; M200-T204 WeakPolarHBondContact O-CB 3.29Å; M200-T204 PolarHBondContact O-N 3.37Å; M200-T204 PolarHBondContact O-OG1 3.16Å; I201-T204 WeakPolarHBondContact O-CB 3.48Å; I201-T204 PolarHBondContact O-N 3.09Å; L202-T204 VanDerWaalsContact C-N 3.3Å; L202-T204 PolarHBondContact O-N 3.34Å; T204-H206 VanDerWaalsContact C-N 3.34Å; T204-F207 WeakPolarHBondContact O-CB 2.98Å; T204-F207 PolarHBondContact O-N 2.96Å; T204-Y208 HydrophobicContact CG2-CD2 4Å; T204-Y208 HydrophobicContact CG2-CE2 3.56Å; T204-Y208 WeakPolarHBondContact O-CD2 3.19Å; T204-Y208 PolarHBondContact O-N 2.87Å; T204-Y208 VanDerWaalsContact O-N 3.09Å |
| 205 | N | 95.9 | Very high | 95.6 | Very high | 98 Ų | 98 | 56 Ų | 56 | 52% | 0.524 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 172.9 | -67.7 | -6.3 | 0 | 0 | 0 | 111 | I201 L202 Y208 A209 | I201-N205 PolarHBondContact O-N 2.73Å; I201-N205 PolarHBondContact O-OD1 2.66Å; L202-N205 PolarHBondContact O-N 3.3Å; N205-Y208 PolarHBondContact O-N 2.87Å; N205-A209 WeakPolarHBondContact O-CB 3.27Å; N205-A209 PolarHBondContact O-N 2.75Å |
| 206 | H | 96.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 57.7 Ų | 57.7 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 174.8 | -166.4 | 106.8 | 0 | 0 | 0 | 111.8 | L147 L202 M203 T204 Y208 A209 A210 T232 N235 | L147-H206 WeakPolarHBondContact CD2-NE2 3.3Å; L202-H206 PolarHBondContact O-N 3.28Å; M203-H206 PolarHBondContact O-N 2.88Å; T204-H206 VanDerWaalsContact C-N 3.34Å; H206-Y208 PolarHBondContact O-N 3.49Å; H206-A209 PolarHBondContact O-N 3.31Å; H206-A210 WeakPolarHBondContact O-CB 3.42Å; H206-A210 PolarHBondContact O-N 2.95Å; H206-T232 PolarHBondContact CE1-O 2.99Å; H206-T232 PolarHBondContact NE2-O 3.05Å; H206-N235 PolarHBondContact CE1-OD1 3.14Å; H206-N235 PolarHBondContact ND1-OD1 3.31Å |
| 207 | F | 97.9 | Very high | 96.1 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.057 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53.9 | -52.1 | 174.2 | 175.2 | -80.1 | 0 | 0 | 0 | 110.8 | L150 L157 V175 M178 W179 M203 T204 A209 A210 I211 | L150-F207 HydrophobicContact CD1-CB 4.43Å; L150-F207 HydrophobicContact CD1-CD2 3.5Å; L150-F207 HydrophobicContact CD1-CE2 4Å; L150-F207 HydrophobicContact CD1-CG 4.18Å; L157-F207 HydrophobicContact CD1-CZ 4.28Å; V175-F207 HydrophobicContact CG1-CE2 4.28Å; V175-F207 HydrophobicContact CG1-CZ 4Å; V175-F207 HydrophobicContact CG2-CE2 4.21Å; V175-F207 HydrophobicContact CG2-CZ 3.76Å; M178-F207 HydrophobicContact CE-CD2 4.26Å; M178-F207 HydrophobicContact SD-CD2 4.27Å; M178-F207 HydrophobicContact SD-CE2 4.07Å; W179-F207 HydrophobicContact CH2-CB 4.09Å; W179-F207 HydrophobicContact CZ2-CB 3.72Å; W179-F207 AromaticContact CZ2-CD2 3.77Å; W179-F207 HydrophobicContact CZ2-CD2 3.77Å; W179-F207 AromaticContact CZ2-CG 3.8Å; W179-F207 HydrophobicContact CZ2-CG 3.8Å; M203-F207 WeakPolarHBondContact O-CB 3.2Å; M203-F207 PolarHBondContact O-N 2.93Å; T204-F207 WeakPolarHBondContact O-CB 2.98Å; T204-F207 PolarHBondContact O-N 2.96Å; F207-A209 PolarHBondContact O-N 3.46Å; F207-A210 PolarHBondContact O-N 3.16Å; F207-I211 HydrophobicContact CD1-CG1 4.03Å; F207-I211 HydrophobicContact CE1-CD1 4.32Å; F207-I211 HydrophobicContact CE1-CG1 3.64Å; F207-I211 HydrophobicContact CE2-CD1 4.42Å; F207-I211 HydrophobicContact CE2-CG1 4.48Å; F207-I211 HydrophobicContact CZ-CD1 4.03Å; F207-I211 HydrophobicContact CZ-CG1 3.88Å; F207-I211 WeakPolarHBondContact O-CG1 3.42Å; F207-I211 PolarHBondContact O-N 3.34Å |
| 208 | Y | 97.6 | Very high | 96.3 | Very high | 143 Ų | 143 | 51.4 Ų | 51.4 | 56% | 0.561 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65.8 | -39 | -179.9 | -69.3 | -58.8 | 0 | 0 | 0 | 113.2 | T204 N205 H206 A210 I211 L212 | T204-Y208 HydrophobicContact CG2-CD2 4Å; T204-Y208 HydrophobicContact CG2-CE2 3.56Å; T204-Y208 WeakPolarHBondContact O-CD2 3.19Å; T204-Y208 PolarHBondContact O-N 2.87Å; T204-Y208 VanDerWaalsContact O-N 3.09Å; N205-Y208 PolarHBondContact O-N 2.87Å; H206-Y208 PolarHBondContact O-N 3.49Å; Y208-A210 VanDerWaalsContact C-N 3.32Å; Y208-A210 PolarHBondContact O-N 3.35Å; Y208-I211 PolarHBondContact O-N 3.32Å; Y208-L212 WeakPolarHBondContact O-CB 3.45Å; Y208-L212 WeakPolarHBondContact O-CG 3.32Å; Y208-L212 PolarHBondContact O-N 3.48Å |
| 209 | A | 97.1 | Very high | 96.4 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N205 H206 F207 G213 T232 | N205-A209 WeakPolarHBondContact O-CB 3.27Å; N205-A209 PolarHBondContact O-N 2.75Å; H206-A209 PolarHBondContact O-N 3.31Å; F207-A209 PolarHBondContact O-N 3.46Å; A209-G213 PolarHBondContact O-N 2.79Å; A209-T232 HydrophobicContact CB-CG2 4.4Å |
| 210 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.5 | -49.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L150 H206 F207 Y208 L212 G213 Y214 T232 | L150-A210 HydrophobicContact CD1-CB 4.31Å; L150-A210 HydrophobicContact CD2-CB 3.61Å; L150-A210 HydrophobicContact CG-CB 3.99Å; H206-A210 WeakPolarHBondContact O-CB 3.42Å; H206-A210 PolarHBondContact O-N 2.95Å; F207-A210 PolarHBondContact O-N 3.16Å; Y208-A210 VanDerWaalsContact C-N 3.32Å; Y208-A210 PolarHBondContact O-N 3.35Å; A210-L212 VanDerWaalsContact C-N 3.33Å; A210-L212 PolarHBondContact O-N 2.98Å; A210-G213 PolarHBondContact O-N 2.89Å; A210-Y214 HydrophobicContact CB-CD2 4.16Å; A210-Y214 HydrophobicContact CB-CE2 3.73Å; A210-Y214 VanDerWaalsContact O-CB 3.27Å; A210-Y214 WeakPolarHBondContact O-CB 3.47Å; A210-Y214 WeakPolarHBondContact O-CD2 3.42Å; A210-Y214 PolarHBondContact O-N 3.31Å; A210-T232 HydrophobicContact CB-CG2 4.47Å |
| 211 | I | 97.3 | Very high | 96.6 | Very high | 23 Ų | 23 | 56.8 Ų | 56.8 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.3 | -46.9 | 177.9 | -61.4 | -59.4 | 0 | 0 | 0 | 110.9 | W154 L157 F207 Y208 D215 | W154-I211 HydrophobicContact CB-CD1 3.9Å; W154-I211 HydrophobicContact CG-CD1 4.15Å; L157-I211 HydrophobicContact CD1-CD1 3.94Å; F207-I211 HydrophobicContact CD1-CG1 4.03Å; F207-I211 HydrophobicContact CE1-CD1 4.32Å; F207-I211 HydrophobicContact CE1-CG1 3.64Å; F207-I211 HydrophobicContact CE2-CD1 4.42Å; F207-I211 HydrophobicContact CE2-CG1 4.48Å; F207-I211 HydrophobicContact CZ-CD1 4.03Å; F207-I211 HydrophobicContact CZ-CG1 3.88Å; F207-I211 WeakPolarHBondContact O-CG1 3.42Å; F207-I211 PolarHBondContact O-N 3.34Å; Y208-I211 PolarHBondContact O-N 3.32Å; I211-D215 WeakPolarHBondContact O-CB 3.46Å; I211-D215 PolarHBondContact O-N 3.46Å |
| 212 | L | 97.1 | Very high | 96.7 | Very high | 125 Ų | 125 | 56.1 Ų | 56.1 | 65% | 0.654 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -67.2 | -48.5 | -179.9 | -69 | 171.3 | 0 | 0 | 0 | 112.1 | Y208 A210 Y214 D215 E216 | Y208-L212 WeakPolarHBondContact O-CB 3.45Å; Y208-L212 WeakPolarHBondContact O-CG 3.32Å; Y208-L212 PolarHBondContact O-N 3.48Å; A210-L212 VanDerWaalsContact C-N 3.33Å; A210-L212 PolarHBondContact O-N 2.98Å; L212-Y214 PolarHBondContact O-N 3.47Å; L212-D215 PolarHBondContact O-N 3.19Å; L212-E216 WeakPolarHBondContact O-CB 3.48Å; L212-E216 PolarHBondContact O-N 3.05Å |
| 213 | G | 97.8 | Very high | 96.9 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 7% | 0.072 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.3 | -35.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A209 A210 G217 A228 | A209-G213 PolarHBondContact O-N 2.79Å; A210-G213 PolarHBondContact O-N 2.89Å; G213-G217 PolarHBondContact O-N 3.16Å; G213-A228 WeakPolarHBondContact O-CB 3.5Å |
| 214 | Y | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -78.3 | -38.4 | 176 | -56.8 | -28.8 | 0 | 0 | 0 | 112.4 | L151 W154 A210 L212 E216 G217 I218 A228 L229 T232 F233 | L151-Y214 HydrophobicContact CD1-CD2 4.11Å; L151-Y214 HydrophobicContact CD1-CE1 4.33Å; L151-Y214 HydrophobicContact CD1-CE2 3.65Å; W154-Y214 HydrophobicContact CB-CD2 4.08Å; W154-Y214 AromaticContact CD2-CD2 3.63Å; W154-Y214 HydrophobicContact CD2-CD2 3.63Å; W154-Y214 HydrophobicContact CD2-CG 4Å; W154-Y214 AromaticContact CE3-CD2 3.82Å; W154-Y214 HydrophobicContact CE3-CD2 3.82Å; W154-Y214 HydrophobicContact CE3-CG 4.15Å; W154-Y214 AromaticContact CG-CD2 3.7Å; W154-Y214 HydrophobicContact CG-CD2 3.7Å; W154-Y214 HydrophobicContact CG-CG 4.41Å; W154-Y214 VanDerWaalsContact CZ2-CB 3.47Å; W154-Y214 WeakPolarHBondContact CZ2-O 3.39Å; A210-Y214 HydrophobicContact CB-CD2 4.16Å; A210-Y214 HydrophobicContact CB-CE2 3.73Å; A210-Y214 VanDerWaalsContact O-CB 3.27Å; A210-Y214 WeakPolarHBondContact O-CB 3.47Å; A210-Y214 WeakPolarHBondContact O-CD2 3.42Å; A210-Y214 PolarHBondContact O-N 3.31Å; L212-Y214 PolarHBondContact O-N 3.47Å; Y214-E216 VanDerWaalsContact C-N 3.26Å; Y214-E216 PolarHBondContact O-N 3.43Å; Y214-G217 PolarHBondContact O-N 3.26Å; Y214-I218 WeakPolarHBondContact O-CB 3.32Å; Y214-I218 WeakPolarHBondContact O-CG2 3.49Å; Y214-I218 PolarHBondContact O-N 2.78Å; Y214-A228 HydrophobicContact CD1-CB 4.48Å; Y214-L229 HydrophobicContact CD1-CD2 4.2Å; Y214-L229 HydrophobicContact CE1-CD2 3.67Å; Y214-L229 HydrophobicContact CE1-CG 4.39Å; Y214-T232 WeakPolarHBondContact CE1-OG1 3.44Å; Y214-T232 PolarHBondContact OH-OG1 3.31Å; Y214-F233 PolarHBondContact OH-N 2.87Å |
| 215 | D | 97.8 | Very high | 97 | Very high | 46 Ų | 46 | 58.4 Ų | 58.4 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.6 | -35.8 | 172.1 | -78.9 | 0.5 | 0 | 0 | 0 | 110.9 | W154 V158 K161 I211 L212 L219 | W154-D215 PolarHBondContact NE1-OD1 3.3Å; V158-D215 WeakPolarHBondContact CG2-OD1 3.34Å; K161-D215 VanDerWaalsContact NZ-CG 3.3Å; K161-D215 IonicContact NZ-OD1 2.62Å; K161-D215 PolarHBondContact NZ-OD1 3.4Å; K161-D215 VanDerWaalsContact NZ-OD1 3.12Å; K161-D215 IonicContact NZ-OD2 3.21Å; K161-D215 PolarHBondContact NZ-OD2 3.05Å; I211-D215 WeakPolarHBondContact O-CB 3.46Å; I211-D215 PolarHBondContact O-N 3.46Å; L212-D215 PolarHBondContact O-N 3.19Å; D215-L219 WeakPolarHBondContact O-CD1 3.15Å; D215-L219 WeakPolarHBondContact O-CG 3.35Å |
| 216 | E | 96.4 | Very high | 97 | Very high | 115 Ų | 115 | 54.7 Ų | 54.7 | 54% | 0.537 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.9 | -49.8 | 171.2 | 177.7 | -174.6 | -140 | 0 | 0 | 112.1 | L212 Y214 I218 L219 S220 R231 | L212-E216 WeakPolarHBondContact O-CB 3.48Å; L212-E216 PolarHBondContact O-N 3.05Å; Y214-E216 VanDerWaalsContact C-N 3.26Å; Y214-E216 PolarHBondContact O-N 3.43Å; E216-I218 PolarHBondContact O-N 2.84Å; E216-L219 PolarHBondContact O-N 3.34Å; E216-S220 PolarHBondContact O-N 2.9Å; E216-S220 PolarHBondContact O-OG 3.02Å; E216-R231 IonicContact OE2-NH2 3.21Å; E216-R231 PolarHBondContact OE2-NH2 3.37Å |
| 217 | G | 97.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -38.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G213 Y214 L219 S220 L225 | G213-G217 PolarHBondContact O-N 3.16Å; Y214-G217 PolarHBondContact O-N 3.26Å; G217-L219 VanDerWaalsContact C-N 3.28Å; G217-L219 PolarHBondContact O-N 3.39Å; G217-S220 WeakPolarHBondContact O-CB 3.2Å; G217-S220 PolarHBondContact O-N 3.15Å; G217-S220 VanDerWaalsContact O-N 3.09Å; G217-L225 WeakPolarHBondContact O-CB 3.22Å |
| 218 | I | 96.4 | Very high | 97.1 | Very high | 31 Ų | 31 | 54.7 Ų | 54.7 | 16% | 0.159 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.7 | -26.3 | -179.7 | -161.3 | 62.8 | 0 | 0 | 0 | 112.8 | W154 Y214 E216 S220 L225 V251 R252 M255 | W154-I218 HydrophobicContact CH2-CB 3.98Å; W154-I218 HydrophobicContact CH2-CD1 4.41Å; W154-I218 HydrophobicContact CH2-CG1 4.2Å; W154-I218 HydrophobicContact CH2-CG2 4.37Å; W154-I218 HydrophobicContact CZ2-CB 4.09Å; W154-I218 HydrophobicContact CZ2-CG2 3.99Å; Y214-I218 WeakPolarHBondContact O-CB 3.32Å; Y214-I218 WeakPolarHBondContact O-CG2 3.49Å; Y214-I218 PolarHBondContact O-N 2.78Å; E216-I218 PolarHBondContact O-N 2.84Å; I218-S220 VanDerWaalsContact C-N 3.32Å; I218-L225 HydrophobicContact CD1-CD2 4.05Å; I218-V251 HydrophobicContact CD1-CG1 4Å; I218-R252 PolarHBondContact O-NH1 3.04Å; I218-M255 HydrophobicContact CD1-CB 4.4Å; I218-M255 HydrophobicContact CD1-CG 3.96Å; I218-M255 HydrophobicContact CG1-CG 4.25Å |
| 219 | L | 95.6 | Very high | 97.1 | Very high | 157 Ų | 157 | 47.9 Ų | 47.9 | 82% | 0.822 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -84.8 | -9.4 | 173.7 | -62.5 | 176.5 | 0 | 0 | 0 | 112.8 | D215 E216 G217 | D215-L219 WeakPolarHBondContact O-CD1 3.15Å; D215-L219 WeakPolarHBondContact O-CG 3.35Å; E216-L219 PolarHBondContact O-N 3.34Å; G217-L219 VanDerWaalsContact C-N 3.28Å; G217-L219 PolarHBondContact O-N 3.39Å |
| 220 | S | 95.6 | Very high | 97.1 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -93.5 | 178.6 | 177.2 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | E216 G217 I218 R252 | E216-S220 PolarHBondContact O-N 2.9Å; E216-S220 PolarHBondContact O-OG 3.02Å; G217-S220 WeakPolarHBondContact O-CB 3.2Å; G217-S220 PolarHBondContact O-N 3.15Å; G217-S220 VanDerWaalsContact O-N 3.09Å; I218-S220 VanDerWaalsContact C-N 3.32Å; S220-R252 PolarHBondContact O-NH1 3.31Å; S220-R252 PolarHBondContact O-NH2 3.48Å |
| 221 | D | 95.9 | Very high | 97 | Very high | 89 Ų | 89 | 56.2 Ų | 56.2 | 48% | 0.476 | 29% | 0.292 | S | S | . | . | trans | -70 | 179.6 | 166.7 | 83.3 | -40.1 | 0 | 0 | 0 | 111.9 | H223 G224 L225 R252 | D221-H223 VanDerWaalsContact C-N 3.3Å; D221-H223 PolarHBondContact O-N 3.02Å; D221-H223 PolarHBondContact OD1-N 3.07Å; D221-H223 WeakPolarHBondContact OD2-CB 3.32Å; D221-H223 IonicContact OD2-CE1 2.94Å; D221-H223 IonicContact OD2-CG 2.73Å; D221-H223 PolarHBondContact OD2-N 3.17Å; D221-H223 IonicContact OD2-ND1 3.98Å; D221-H223 PolarHBondContact OD2-ND1 3.4Å; D221-G224 PolarHBondContact O-N 3.27Å; D221-G224 PolarHBondContact OD1-N 3.05Å; D221-L225 PolarHBondContact O-N 2.85Å; D221-R252 PolarHBondContact O-NH2 2.71Å | ||
| 222 | D | 96.7 | Very high | 97 | Very high | 85 Ų | 85 | 55.6 Ų | 55.6 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.9 | -24.3 | -177.3 | -71.9 | -24 | 0 | 0 | 0 | 113.5 | A226 V248 R252 | D222-A226 WeakPolarHBondContact O-CB 3.44Å; D222-A226 PolarHBondContact O-N 2.9Å; D222-V248 HydrophobicContact CB-CG1 3.85Å; D222-V248 WeakPolarHBondContact OD1-CG1 3.33Å; D222-R252 IonicContact OD1-CZ 3.83Å; D222-R252 IonicContact OD1-NE 2.66Å; D222-R252 PolarHBondContact OD1-NE 3.21Å; D222-R252 IonicContact OD1-NH2 3.84Å; D222-R252 PolarHBondContact OD1-NH2 3.22Å |
| 223 | H | 96.3 | Very high | 97 | Very high | 149 Ų | 149 | 49.7 Ų | 49.7 | 69% | 0.69 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -68.9 | -42 | 169.4 | -55.3 | 96.8 | 0 | 0 | 0 | 111.4 | D221 A226 A227 | D221-H223 VanDerWaalsContact C-N 3.3Å; D221-H223 PolarHBondContact O-N 3.02Å; D221-H223 PolarHBondContact OD1-N 3.07Å; D221-H223 WeakPolarHBondContact OD2-CB 3.32Å; D221-H223 IonicContact OD2-CE1 2.94Å; D221-H223 IonicContact OD2-CG 2.73Å; D221-H223 PolarHBondContact OD2-N 3.17Å; D221-H223 IonicContact OD2-ND1 3.98Å; D221-H223 PolarHBondContact OD2-ND1 3.4Å; H223-A226 PolarHBondContact O-N 2.82Å; H223-A227 VanDerWaalsContact O-CB 3.27Å; H223-A227 WeakPolarHBondContact O-CB 3.39Å; H223-A227 PolarHBondContact O-N 3.33Å |
| 224 | G | 97.1 | Very high | 96.8 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D221 A227 A228 | D221-G224 PolarHBondContact O-N 3.27Å; D221-G224 PolarHBondContact OD1-N 3.05Å; G224-A227 PolarHBondContact O-N 3.42Å; G224-A228 PolarHBondContact O-N 2.96Å |
| 225 | L | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 176.4 | -173.8 | 52.2 | 0 | 0 | 0 | 112.3 | G217 I218 D221 A227 A228 L229 V248 V251 R252 | G217-L225 WeakPolarHBondContact O-CB 3.22Å; I218-L225 HydrophobicContact CD1-CD2 4.05Å; D221-L225 PolarHBondContact O-N 2.85Å; L225-A227 VanDerWaalsContact C-N 3.34Å; L225-A227 PolarHBondContact O-N 3.2Å; L225-A228 PolarHBondContact O-N 3.2Å; L225-L229 HydrophobicContact CD1-CD1 4.15Å; L225-L229 HydrophobicContact CD1-CG 4.28Å; L225-L229 HydrophobicContact CG-CD1 4.01Å; L225-L229 WeakPolarHBondContact O-CG 3.49Å; L225-L229 PolarHBondContact O-N 3.02Å; L225-V248 HydrophobicContact CB-CG2 4.42Å; L225-V248 HydrophobicContact CD2-CG1 4.22Å; L225-V248 HydrophobicContact CG-CG2 4.23Å; L225-V251 HydrophobicContact CD1-CG1 4.32Å; L225-V251 HydrophobicContact CD2-CB 4.4Å; L225-V251 HydrophobicContact CD2-CG1 4.03Å; L225-R252 HydrophobicContact CD2-CG 4.12Å |
| 226 | A | 97.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 51.3 Ų | 51.3 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D222 H223 A228 L229 W230 V248 | D222-A226 WeakPolarHBondContact O-CB 3.44Å; D222-A226 PolarHBondContact O-N 2.9Å; H223-A226 PolarHBondContact O-N 2.82Å; A226-A228 VanDerWaalsContact C-N 3.33Å; A226-A228 PolarHBondContact O-N 2.98Å; A226-L229 PolarHBondContact O-N 3.15Å; A226-W230 VanDerWaalsContact O-CB 3.31Å; A226-W230 WeakPolarHBondContact O-CB 3.37Å; A226-W230 PolarHBondContact O-N 3.05Å; A226-V248 HydrophobicContact CB-CG2 3.8Å |
| 227 | A | 97.3 | Very high | 95.8 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H223 G224 L225 R231 | H223-A227 VanDerWaalsContact O-CB 3.27Å; H223-A227 WeakPolarHBondContact O-CB 3.39Å; H223-A227 PolarHBondContact O-N 3.33Å; G224-A227 PolarHBondContact O-N 3.42Å; L225-A227 VanDerWaalsContact C-N 3.34Å; L225-A227 PolarHBondContact O-N 3.2Å; A227-R231 VanDerWaalsContact C-NH1 3.34Å; A227-R231 VanDerWaalsContact O-CG 3.28Å; A227-R231 WeakPolarHBondContact O-CG 3.39Å; A227-R231 PolarHBondContact O-N 3.41Å; A227-R231 VanDerWaalsContact O-N 3.16Å; A227-R231 PolarHBondContact O-NH1 3.18Å |
| 228 | A | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -52.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | G213 Y214 G224 L225 A226 W230 R231 T232 | G213-A228 WeakPolarHBondContact O-CB 3.5Å; Y214-A228 HydrophobicContact CD1-CB 4.48Å; G224-A228 PolarHBondContact O-N 2.96Å; L225-A228 PolarHBondContact O-N 3.2Å; A226-A228 VanDerWaalsContact C-N 3.33Å; A226-A228 PolarHBondContact O-N 2.98Å; A228-W230 VanDerWaalsContact C-N 3.29Å; A228-W230 PolarHBondContact O-N 3.28Å; A228-R231 PolarHBondContact O-N 2.96Å; A228-T232 PolarHBondContact O-N 3.48Å; A228-T232 VanDerWaalsContact O-N 3.15Å; A228-T232 PolarHBondContact O-OG1 3.28Å |
| 229 | L | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.7 | -38.2 | 178.1 | -69.8 | 164.9 | 0 | 0 | 0 | 112.2 | L151 Y214 L225 A226 F233 F234 L244 L247 V248 V251 | L151-L229 HydrophobicContact CD1-CD2 3.91Å; Y214-L229 HydrophobicContact CD1-CD2 4.2Å; Y214-L229 HydrophobicContact CE1-CD2 3.67Å; Y214-L229 HydrophobicContact CE1-CG 4.39Å; L225-L229 HydrophobicContact CD1-CD1 4.15Å; L225-L229 HydrophobicContact CD1-CG 4.28Å; L225-L229 HydrophobicContact CG-CD1 4.01Å; L225-L229 WeakPolarHBondContact O-CG 3.49Å; L225-L229 PolarHBondContact O-N 3.02Å; A226-L229 PolarHBondContact O-N 3.15Å; L229-F233 HydrophobicContact CD2-CB 4.37Å; L229-F233 WeakPolarHBondContact O-CA 3.5Å; L229-F233 VanDerWaalsContact O-CB 3.29Å; L229-F233 WeakPolarHBondContact O-CB 3.5Å; L229-F233 PolarHBondContact O-N 3.39Å; L229-F234 PolarHBondContact O-N 3Å; L229-L244 HydrophobicContact CB-CD2 4.37Å; L229-L247 HydrophobicContact CB-CD2 4.27Å; L229-L247 HydrophobicContact CD1-CB 4.33Å; L229-L247 HydrophobicContact CD1-CD2 4.31Å; L229-L247 HydrophobicContact CD1-CG 4.04Å; L229-L247 HydrophobicContact CD2-CD2 3.84Å; L229-L247 HydrophobicContact CD2-CG 4.1Å; L229-L247 HydrophobicContact CG-CD2 4.37Å; L229-V248 HydrophobicContact CD1-CG2 3.75Å; L229-V251 HydrophobicContact CD1-CG2 4.46Å; L229-V251 HydrophobicContact CD2-CG2 4.31Å |
| 230 | W | 97.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 56.2 Ų | 56.2 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 174.7 | -177.2 | 82.8 | 0 | 0 | 0 | 112.1 | A226 A228 T232 F234 N235 G236 L244 | A226-W230 VanDerWaalsContact O-CB 3.31Å; A226-W230 WeakPolarHBondContact O-CB 3.37Å; A226-W230 PolarHBondContact O-N 3.05Å; A228-W230 VanDerWaalsContact C-N 3.29Å; A228-W230 PolarHBondContact O-N 3.28Å; W230-T232 PolarHBondContact O-N 3.29Å; W230-F234 CarbonylContact O-C 3.34Å; W230-N235 PolarHBondContact O-N 2.81Å; W230-G236 WeakPolarHBondContact CZ2-O 3.41Å; W230-G236 WeakPolarHBondContact O-CA 3.49Å; W230-G236 PolarHBondContact O-N 3.42Å; W230-L244 HydrophobicContact CB-CD1 4.12Å; W230-L244 HydrophobicContact CB-CD2 3.75Å; W230-L244 HydrophobicContact CG-CD1 4.36Å |
| 231 | R | 96.4 | Very high | 94.6 | Very high | 118 Ų | 118 | 58.3 Ų | 58.3 | 45% | 0.445 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | -179.8 | -74.4 | -175.3 | -58.9 | -97.9 | 17.7 | 112.5 | E216 A227 A228 N235 | E216-R231 IonicContact OE2-NH2 3.21Å; E216-R231 PolarHBondContact OE2-NH2 3.37Å; A227-R231 VanDerWaalsContact C-NH1 3.34Å; A227-R231 VanDerWaalsContact O-CG 3.28Å; A227-R231 WeakPolarHBondContact O-CG 3.39Å; A227-R231 PolarHBondContact O-N 3.41Å; A227-R231 VanDerWaalsContact O-N 3.16Å; A227-R231 PolarHBondContact O-NH1 3.18Å; A228-R231 PolarHBondContact O-N 2.96Å; R231-N235 WeakPolarHBondContact O-CA 3.37Å |
| 232 | T | 95.5 | Very high | 94.5 | Very high | 11 Ų | 11 | 62 Ų | 62 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -67.8 | -169.8 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | H206 A209 A210 Y214 A228 W230 F234 N235 | H206-T232 PolarHBondContact CE1-O 2.99Å; H206-T232 PolarHBondContact NE2-O 3.05Å; A209-T232 HydrophobicContact CB-CG2 4.4Å; A210-T232 HydrophobicContact CB-CG2 4.47Å; Y214-T232 WeakPolarHBondContact CE1-OG1 3.44Å; Y214-T232 PolarHBondContact OH-OG1 3.31Å; A228-T232 PolarHBondContact O-N 3.48Å; A228-T232 VanDerWaalsContact O-N 3.15Å; A228-T232 PolarHBondContact O-OG1 3.28Å; W230-T232 PolarHBondContact O-N 3.29Å; T232-F234 VanDerWaalsContact C-N 3.34Å; T232-F234 PolarHBondContact O-N 3.47Å; T232-N235 PolarHBondContact O-N 3Å; T232-N235 PolarHBondContact O-ND2 3.1Å |
| 233 | F | 96.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -49.1 | -179.2 | -169.8 | -87.4 | 0 | 0 | 0 | 112.2 | F132 C136 M138 I148 L151 Y214 L229 N235 L247 | F132-F233 AromaticContact CD1-CZ 3.99Å; F132-F233 HydrophobicContact CD1-CZ 3.99Å; F132-F233 HydrophobicContact CE1-CZ 4.32Å; C136-F233 HydrophobicContact CB-CE1 4.14Å; M138-F233 HydrophobicContact CE-CD1 4.22Å; M138-F233 HydrophobicContact CE-CE1 3.72Å; M138-F233 HydrophobicContact CE-CZ 3.91Å; M138-F233 HydrophobicContact CG-CE1 4.5Å; M138-F233 HydrophobicContact SD-CD1 4.4Å; M138-F233 HydrophobicContact SD-CE1 3.39Å; M138-F233 WeakPolarHBondContact SD-CE1 3.45Å; M138-F233 HydrophobicContact SD-CZ 3.49Å; M138-F233 WeakPolarHBondContact SD-CZ 3.39Å; I148-F233 HydrophobicContact CG1-CE2 3.99Å; I148-F233 HydrophobicContact CG1-CZ 3.85Å; L151-F233 HydrophobicContact CB-CD2 4.26Å; L151-F233 HydrophobicContact CB-CE2 4.33Å; L151-F233 HydrophobicContact CD2-CD2 3.97Å; L151-F233 HydrophobicContact CD2-CE2 3.83Å; Y214-F233 PolarHBondContact OH-N 2.87Å; L229-F233 HydrophobicContact CD2-CB 4.37Å; L229-F233 WeakPolarHBondContact O-CA 3.5Å; L229-F233 VanDerWaalsContact O-CB 3.29Å; L229-F233 WeakPolarHBondContact O-CB 3.5Å; L229-F233 PolarHBondContact O-N 3.39Å; F233-N235 PolarHBondContact O-ND2 2.84Å; F233-L247 HydrophobicContact CB-CD2 4.12Å; F233-L247 HydrophobicContact CD1-CD2 3.37Å; F233-L247 HydrophobicContact CD2-CD2 4.05Å; F233-L247 HydrophobicContact CE1-CD2 3.64Å; F233-L247 HydrophobicContact CE2-CD2 4.27Å; F233-L247 HydrophobicContact CG-CD2 3.58Å; F233-L247 HydrophobicContact CZ-CD1 4.38Å; F233-L247 HydrophobicContact CZ-CD2 4.09Å |
| 234 | F | 95.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 7% | 0.066 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -1.4 | 177.4 | -71 | -82.7 | 0 | 0 | 0 | 114.1 | C136 L229 W230 T232 G236 K237 C238 H243 L244 L247 | C136-F234 HydrophobicContact CB-CE1 3.94Å; C136-F234 HydrophobicContact CB-CZ 3.93Å; L229-F234 PolarHBondContact O-N 3Å; W230-F234 CarbonylContact O-C 3.34Å; T232-F234 VanDerWaalsContact C-N 3.34Å; T232-F234 PolarHBondContact O-N 3.47Å; F234-G236 PolarHBondContact O-N 2.95Å; F234-K237 WeakPolarHBondContact O-CA 3.27Å; F234-K237 WeakPolarHBondContact O-CB 3.31Å; F234-K237 PolarHBondContact O-N 3.28Å; F234-C238 HydrophobicContact CB-CB 4.18Å; F234-C238 HydrophobicContact CD1-CB 3.85Å; F234-C238 HydrophobicContact CD2-CB 4.46Å; F234-C238 HydrophobicContact CE1-CB 4.34Å; F234-C238 HydrophobicContact CG-CB 3.92Å; F234-H243 HydrophobicContact CE1-CB 4.23Å; F234-H243 HydrophobicContact CZ-CB 3.89Å; F234-L244 HydrophobicContact CD2-CD2 3.5Å; F234-L244 VanDerWaalsContact CD2-CD2 3.5Å; F234-L244 HydrophobicContact CE2-CD2 3.61Å; F234-L244 HydrophobicContact CE2-CG 4.36Å; F234-L244 HydrophobicContact CG-CD2 4.47Å; F234-L247 HydrophobicContact CD2-CD2 4.35Å; F234-L247 HydrophobicContact CE2-CD2 3.61Å; F234-L247 HydrophobicContact CZ-CD2 4.3Å |
| 235 | N | 91.6 | Very high | 94.2 | Very high | 41 Ų | 41 | 58.7 Ų | 58.7 | 22% | 0.219 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 38.3 | -178.2 | -66.7 | -98 | 0 | 0 | 0 | 113.9 | L147 H206 W230 R231 T232 F233 K237 | L147-N235 WeakPolarHBondContact CD1-ND2 3.39Å; H206-N235 PolarHBondContact CE1-OD1 3.14Å; H206-N235 PolarHBondContact ND1-OD1 3.31Å; W230-N235 PolarHBondContact O-N 2.81Å; R231-N235 WeakPolarHBondContact O-CA 3.37Å; T232-N235 PolarHBondContact O-N 3Å; T232-N235 PolarHBondContact O-ND2 3.1Å; F233-N235 PolarHBondContact O-ND2 2.84Å; N235-K237 VanDerWaalsContact C-N 3.3Å; N235-K237 PolarHBondContact O-N 2.95Å |
| 236 | G | 91.7 | Very high | 94.1 | Very high | 31 Ų | 31 | 60.2 Ų | 60.2 | 32% | 0.32 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 17 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | W230 F234 | W230-G236 WeakPolarHBondContact CZ2-O 3.41Å; W230-G236 WeakPolarHBondContact O-CA 3.49Å; W230-G236 PolarHBondContact O-N 3.42Å; F234-G236 PolarHBondContact O-N 2.95Å |
| 237 | K | 87.9 | Confident | 94.1 | Very high | 141 Ų | 141 | 59.2 Ų | 59.2 | 61% | 0.613 | 29% | 0.288 | S | S | * | . | trans | -128.9 | 84.3 | -176.5 | -66 | -174.7 | 169.6 | -165.5 | 0 | 112 | F234 N235 | F234-K237 WeakPolarHBondContact O-CA 3.27Å; F234-K237 WeakPolarHBondContact O-CB 3.31Å; F234-K237 PolarHBondContact O-N 3.28Å; N235-K237 VanDerWaalsContact C-N 3.3Å; N235-K237 PolarHBondContact O-N 2.95Å | ||
| 238 | C | 89.6 | Confident | 94.1 | Very high | 25 Ų | 25 | 57.9 Ų | 57.9 | 17% | 0.169 | 28% | 0.276 | C | S | . | . | trans | -139.3 | 122 | 162.3 | -156 | 0 | 0 | 0 | 0 | 107.6 | F234 D240 L244 | F234-C238 HydrophobicContact CB-CB 4.18Å; F234-C238 HydrophobicContact CD1-CB 3.85Å; F234-C238 HydrophobicContact CD2-CB 4.46Å; F234-C238 HydrophobicContact CE1-CB 4.34Å; F234-C238 HydrophobicContact CG-CB 3.92Å; C238-D240 PolarHBondContact SG-O 3.45Å; C238-D240 VanDerWaalsContact SG-O 3.38Å; C238-L244 HydrophobicContact CB-CG 4.35Å | ||
| 239 | E | 85.6 | Confident | 94 | Very high | 204 Ų | 204 | 62 Ų | 62 | 95% | 0.953 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -93.8 | -21.7 | -178.8 | -63.5 | -178.4 | 178.4 | 0 | 0 | 112.2 | ||
| 240 | D | 91.9 | Very high | 94 | Very high | 37 Ų | 37 | 62.3 Ų | 62.3 | 20% | 0.198 | 30% | 0.296 | C | S | . | . | trans | -115.2 | 111.3 | -179.4 | 179.9 | -8 | 0 | 0 | 0 | 109.9 | C238 R242 H243 | C238-D240 PolarHBondContact SG-O 3.45Å; C238-D240 VanDerWaalsContact SG-O 3.38Å; D240-R242 PolarHBondContact O-N 3.06Å; D240-R242 VanDerWaalsContact OD1-CB 3.28Å; D240-R242 WeakPolarHBondContact OD1-CB 3.46Å; D240-R242 VanDerWaalsContact OD1-CG 3.3Å; D240-R242 WeakPolarHBondContact OD1-CG 3.25Å; D240-R242 IonicContact OD1-CZ 2.71Å; D240-R242 PolarHBondContact OD1-N 3.11Å; D240-R242 IonicContact OD1-NE 3.17Å; D240-R242 PolarHBondContact OD1-NE 2.85Å; D240-R242 IonicContact OD1-NH2 3.44Å; D240-R242 IonicContact OD2-CZ 3.12Å; D240-R242 VanDerWaalsContact OD2-CZ 3.25Å; D240-R242 IonicContact OD2-NE 2.77Å; D240-R242 PolarHBondContact OD2-NE 3.42Å; D240-R242 IonicContact OD2-NH2 2.74Å; D240-R242 PolarHBondContact OD2-NH2 3.1Å; D240-H243 PolarHBondContact O-N 3.47Å; D240-H243 PolarHBondContact O-ND1 3.37Å; D240-H243 IonicContact OD2-CE1 2.68Å; D240-H243 IonicContact OD2-NE2 3.25Å | ||
| 241 | P | 92.2 | Very high | 94 | Very high | 92 Ų | 92 | 57.2 Ų | 57.2 | 60% | 0.597 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -56.4 | -22.1 | -179.7 | -27.6 | 36 | 0 | 0 | 0 | 114.8 | H243 L244 E245 | P241-H243 PolarHBondContact O-N 3.33Å; P241-L244 WeakPolarHBondContact O-CA 3.44Å; P241-L244 WeakPolarHBondContact O-CB 3.23Å; P241-L244 PolarHBondContact O-N 3.18Å; P241-E245 PolarHBondContact O-N 2.96Å |
| 242 | R | 93.8 | Very high | 94 | Very high | 166 Ų | 166 | 54.8 Ų | 54.8 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.2 | -27.3 | -178.8 | -61.9 | 175.3 | -65.1 | 179.5 | 3.9 | 112.7 | D240 L246 | D240-R242 PolarHBondContact O-N 3.06Å; D240-R242 VanDerWaalsContact OD1-CB 3.28Å; D240-R242 WeakPolarHBondContact OD1-CB 3.46Å; D240-R242 VanDerWaalsContact OD1-CG 3.3Å; D240-R242 WeakPolarHBondContact OD1-CG 3.25Å; D240-R242 IonicContact OD1-CZ 2.71Å; D240-R242 PolarHBondContact OD1-N 3.11Å; D240-R242 IonicContact OD1-NE 3.17Å; D240-R242 PolarHBondContact OD1-NE 2.85Å; D240-R242 IonicContact OD1-NH2 3.44Å; D240-R242 IonicContact OD2-CZ 3.12Å; D240-R242 VanDerWaalsContact OD2-CZ 3.25Å; D240-R242 IonicContact OD2-NE 2.77Å; D240-R242 PolarHBondContact OD2-NE 3.42Å; D240-R242 IonicContact OD2-NH2 2.74Å; D240-R242 PolarHBondContact OD2-NH2 3.1Å; R242-L246 WeakPolarHBondContact O-CB 3.42Å; R242-L246 PolarHBondContact O-N 3.14Å |
| 243 | H | 93.8 | Very high | 94 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 11% | 0.111 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -75.4 | -26.4 | 173.4 | -46.8 | 128.4 | 0 | 0 | 0 | 112.5 | R135 Q137 F234 D240 P241 L247 | R135-H243 PolarHBondContact O-CD2 2.94Å; Q137-H243 VanDerWaalsContact CD-CE1 3.44Å; Q137-H243 PolarHBondContact NE2-CE1 3.44Å; Q137-H243 PolarHBondContact NE2-NE2 3.17Å; F234-H243 HydrophobicContact CE1-CB 4.23Å; F234-H243 HydrophobicContact CZ-CB 3.89Å; D240-H243 PolarHBondContact O-N 3.47Å; D240-H243 PolarHBondContact O-ND1 3.37Å; D240-H243 IonicContact OD2-CE1 2.68Å; D240-H243 IonicContact OD2-NE2 3.25Å; P241-H243 PolarHBondContact O-N 3.33Å; H243-L247 WeakPolarHBondContact O-CB 3.19Å; H243-L247 PolarHBondContact O-N 2.73Å |
| 244 | L | 94.5 | Very high | 94 | Very high | 24 Ų | 24 | 55.2 Ų | 55.2 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.5 | -46.7 | 170.7 | -69.9 | 169.5 | 0 | 0 | 0 | 110.5 | L229 W230 F234 C238 P241 L246 L247 V248 | L229-L244 HydrophobicContact CB-CD2 4.37Å; W230-L244 HydrophobicContact CB-CD1 4.12Å; W230-L244 HydrophobicContact CB-CD2 3.75Å; W230-L244 HydrophobicContact CG-CD1 4.36Å; F234-L244 HydrophobicContact CD2-CD2 3.5Å; F234-L244 VanDerWaalsContact CD2-CD2 3.5Å; F234-L244 HydrophobicContact CE2-CD2 3.61Å; F234-L244 HydrophobicContact CE2-CG 4.36Å; F234-L244 HydrophobicContact CG-CD2 4.47Å; C238-L244 HydrophobicContact CB-CG 4.35Å; P241-L244 WeakPolarHBondContact O-CA 3.44Å; P241-L244 WeakPolarHBondContact O-CB 3.23Å; P241-L244 PolarHBondContact O-N 3.18Å; L244-L246 PolarHBondContact O-N 2.99Å; L244-L247 CarbonylContact O-C 3.56Å; L244-L247 PolarHBondContact O-N 3.17Å; L244-V248 WeakPolarHBondContact O-CB 3.32Å; L244-V248 VanDerWaalsContact O-CG2 3.32Å; L244-V248 WeakPolarHBondContact O-CG2 3.43Å; L244-V248 PolarHBondContact O-N 3.13Å |
| 245 | E | 95.5 | Very high | 94.1 | Very high | 136 Ų | 136 | 54.9 Ų | 54.9 | 64% | 0.636 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -53.4 | -51.2 | 176.1 | -179 | 178 | -142.4 | 0 | 0 | 111.4 | P241 L247 V248 E249 | P241-E245 PolarHBondContact O-N 2.96Å; E245-L247 VanDerWaalsContact C-N 3.29Å; E245-L247 PolarHBondContact O-N 3.49Å; E245-V248 PolarHBondContact O-N 2.96Å; E245-E249 WeakPolarHBondContact O-CB 3.38Å; E245-E249 PolarHBondContact O-N 3.27Å |
| 246 | L | 95.8 | Very high | 94.2 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56 | -41.2 | 174.6 | 176.9 | 63 | 0 | 0 | 0 | 112.7 | R135 R242 L244 Y250 L277 V278 | R135-L246 HydrophobicContact CB-CD2 3.74Å; R135-L246 HydrophobicContact CG-CD2 4.33Å; R242-L246 WeakPolarHBondContact O-CB 3.42Å; R242-L246 PolarHBondContact O-N 3.14Å; L244-L246 PolarHBondContact O-N 2.99Å; L246-Y250 VanDerWaalsContact O-CB 3.26Å; L246-Y250 WeakPolarHBondContact O-CB 3.42Å; L246-Y250 PolarHBondContact O-N 3.41Å; L246-L277 HydrophobicContact CD1-CD1 4.46Å; L246-L277 WeakPolarHBondContact CD1-O 3.39Å; L246-L277 HydrophobicContact CD2-CD1 4.48Å; L246-L277 HydrophobicContact CD2-CD2 4.44Å; L246-L277 HydrophobicContact CD2-CG 4.24Å; L246-L277 HydrophobicContact CG-CD1 4.13Å; L246-L277 HydrophobicContact CG-CG 4.35Å; L246-V278 HydrophobicContact CD1-CG2 4.04Å; L246-V278 HydrophobicContact CD2-CG2 4.33Å |
| 247 | L | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -77.7 | -32.4 | -177.4 | -167.6 | 63.3 | 0 | 0 | 0 | 112.7 | F132 L151 L229 F233 F234 H243 L244 E245 Y250 V251 | F132-L247 HydrophobicContact CE1-CD1 3.71Å; L151-L247 HydrophobicContact CD2-CD1 3.85Å; L151-L247 HydrophobicContact CD2-CG 4.49Å; L229-L247 HydrophobicContact CB-CD2 4.27Å; L229-L247 HydrophobicContact CD1-CB 4.33Å; L229-L247 HydrophobicContact CD1-CD2 4.31Å; L229-L247 HydrophobicContact CD1-CG 4.04Å; L229-L247 HydrophobicContact CD2-CD2 3.84Å; L229-L247 HydrophobicContact CD2-CG 4.1Å; L229-L247 HydrophobicContact CG-CD2 4.37Å; F233-L247 HydrophobicContact CB-CD2 4.12Å; F233-L247 HydrophobicContact CD1-CD2 3.37Å; F233-L247 HydrophobicContact CD2-CD2 4.05Å; F233-L247 HydrophobicContact CE1-CD2 3.64Å; F233-L247 HydrophobicContact CE2-CD2 4.27Å; F233-L247 HydrophobicContact CG-CD2 3.58Å; F233-L247 HydrophobicContact CZ-CD1 4.38Å; F233-L247 HydrophobicContact CZ-CD2 4.09Å; F234-L247 HydrophobicContact CD2-CD2 4.35Å; F234-L247 HydrophobicContact CE2-CD2 3.61Å; F234-L247 HydrophobicContact CZ-CD2 4.3Å; H243-L247 WeakPolarHBondContact O-CB 3.19Å; H243-L247 PolarHBondContact O-N 2.73Å; L244-L247 CarbonylContact O-C 3.56Å; L244-L247 PolarHBondContact O-N 3.17Å; E245-L247 VanDerWaalsContact C-N 3.29Å; E245-L247 PolarHBondContact O-N 3.49Å; L247-Y250 HydrophobicContact CD1-CD1 4.37Å; L247-V251 WeakPolarHBondContact O-CB 3.44Å; L247-V251 VanDerWaalsContact O-CG2 3.28Å; L247-V251 WeakPolarHBondContact O-CG2 3.23Å; L247-V251 PolarHBondContact O-N 3.45Å |
| 248 | V | 97.6 | Very high | 94.7 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -52.6 | 169.6 | 166.9 | 0 | 0 | 0 | 0 | 109.7 | D222 L225 A226 L229 L244 E245 Y250 V251 R252 | D222-V248 HydrophobicContact CB-CG1 3.85Å; D222-V248 WeakPolarHBondContact OD1-CG1 3.33Å; L225-V248 HydrophobicContact CB-CG2 4.42Å; L225-V248 HydrophobicContact CD2-CG1 4.22Å; L225-V248 HydrophobicContact CG-CG2 4.23Å; A226-V248 HydrophobicContact CB-CG2 3.8Å; L229-V248 HydrophobicContact CD1-CG2 3.75Å; L244-V248 WeakPolarHBondContact O-CB 3.32Å; L244-V248 VanDerWaalsContact O-CG2 3.32Å; L244-V248 WeakPolarHBondContact O-CG2 3.43Å; L244-V248 PolarHBondContact O-N 3.13Å; E245-V248 PolarHBondContact O-N 2.96Å; V248-Y250 VanDerWaalsContact C-N 3.27Å; V248-Y250 PolarHBondContact O-N 3.45Å; V248-V251 PolarHBondContact O-N 3.22Å; V248-V251 VanDerWaalsContact O-N 3.16Å; V248-R252 HydrophobicContact CG1-CG 4.45Å; V248-R252 WeakPolarHBondContact O-CG 3.42Å; V248-R252 PolarHBondContact O-N 2.82Å |
| 249 | E | 96.2 | Very high | 95 | Very high | 86 Ų | 86 | 52.9 Ų | 52.9 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -55 | -46.6 | 178 | -166.2 | -161.9 | -162.1 | 0 | 0 | 110.3 | E245 K253 | E245-E249 WeakPolarHBondContact O-CB 3.38Å; E245-E249 PolarHBondContact O-N 3.27Å; E249-K253 VanDerWaalsContact CD-CE 3.48Å; E249-K253 HydrophobicContact CG-CD 3.98Å; E249-K253 VanDerWaalsContact CG-CE 3.49Å; E249-K253 VanDerWaalsContact O-CB 3.24Å; E249-K253 WeakPolarHBondContact O-CB 3.42Å; E249-K253 WeakPolarHBondContact O-CD 3.29Å; E249-K253 WeakPolarHBondContact O-CG 3.44Å; E249-K253 PolarHBondContact O-N 3.43Å; E249-K253 WeakPolarHBondContact OE1-CE 3.3Å; E249-K253 IonicContact OE1-NZ 3.98Å; E249-K253 PolarHBondContact OE1-NZ 3.02Å; E249-K253 IonicContact OE2-NZ 2.88Å; E249-K253 PolarHBondContact OE2-NZ 3.45Å |
| 250 | Y | 97.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.2 | -51.6 | 174.8 | -179.5 | -100.5 | 0 | 0 | 0 | 113.5 | F132 H152 M155 L246 L247 V248 R252 K253 Q254 R275 L277 | F132-Y250 HydrophobicContact CE1-CE1 4.42Å; F132-Y250 HydrophobicContact CE2-CE1 4.42Å; F132-Y250 HydrophobicContact CZ-CD1 4.05Å; F132-Y250 AromaticContact CZ-CE1 3.55Å; F132-Y250 HydrophobicContact CZ-CE1 3.55Å; F132-Y250 HydrophobicContact CZ-CE2 4.35Å; F132-Y250 AromaticContact CZ-CZ 3.68Å; H152-Y250 AromaticContact NE2-CZ 3.93Å; H152-Y250 PolarHBondContact NE2-OH 2.88Å; M155-Y250 HydrophobicContact CE-CE1 4.11Å; L246-Y250 VanDerWaalsContact O-CB 3.26Å; L246-Y250 WeakPolarHBondContact O-CB 3.42Å; L246-Y250 PolarHBondContact O-N 3.41Å; L247-Y250 HydrophobicContact CD1-CD1 4.37Å; V248-Y250 VanDerWaalsContact C-N 3.27Å; V248-Y250 PolarHBondContact O-N 3.45Å; Y250-R252 PolarHBondContact O-N 3.38Å; Y250-K253 WeakPolarHBondContact O-CB 3.35Å; Y250-K253 PolarHBondContact O-N 3.16Å; Y250-Q254 HydrophobicContact CD1-CG 4.1Å; Y250-Q254 HydrophobicContact CD2-CG 4.08Å; Y250-Q254 HydrophobicContact CE1-CG 3.68Å; Y250-Q254 HydrophobicContact CE2-CG 3.72Å; Y250-Q254 VanDerWaalsContact CE2-NE2 3.35Å; Y250-Q254 HydrophobicContact CG-CG 4.3Å; Y250-Q254 VanDerWaalsContact O-CG 3.32Å; Y250-Q254 WeakPolarHBondContact O-CG 3.12Å; Y250-Q254 PolarHBondContact O-N 2.99Å; Y250-Q254 PolarHBondContact OH-NE2 2.68Å; Y250-R275 WeakPolarHBondContact CE2-O 3.33Å; Y250-L277 HydrophobicContact CD1-CD1 4.34Å; Y250-L277 HydrophobicContact CD2-CB 4.39Å; Y250-L277 HydrophobicContact CD2-CD1 3.75Å; Y250-L277 HydrophobicContact CE2-CB 4.41Å; Y250-L277 HydrophobicContact CE2-CD1 4.35Å; Y250-L277 HydrophobicContact CG-CD1 3.69Å |
| 251 | V | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | -177.7 | 166.3 | 0 | 0 | 0 | 0 | 111.3 | L151 W154 I218 L225 L229 L247 V248 K253 Q254 M255 | L151-V251 HydrophobicContact CD1-CG2 3.96Å; L151-V251 HydrophobicContact CD2-CG2 4.04Å; L151-V251 HydrophobicContact CG-CG2 4.33Å; W154-V251 HydrophobicContact CH2-CG1 4.08Å; W154-V251 HydrophobicContact CZ3-CG1 3.78Å; I218-V251 HydrophobicContact CD1-CG1 4Å; L225-V251 HydrophobicContact CD1-CG1 4.32Å; L225-V251 HydrophobicContact CD2-CB 4.4Å; L225-V251 HydrophobicContact CD2-CG1 4.03Å; L229-V251 HydrophobicContact CD1-CG2 4.46Å; L229-V251 HydrophobicContact CD2-CG2 4.31Å; L247-V251 WeakPolarHBondContact O-CB 3.44Å; L247-V251 VanDerWaalsContact O-CG2 3.28Å; L247-V251 WeakPolarHBondContact O-CG2 3.23Å; L247-V251 PolarHBondContact O-N 3.45Å; V248-V251 PolarHBondContact O-N 3.22Å; V248-V251 VanDerWaalsContact O-N 3.16Å; V251-K253 PolarHBondContact O-N 3.08Å; V251-Q254 PolarHBondContact O-N 2.62Å; V251-M255 HydrophobicContact CG1-CG 4.45Å; V251-M255 WeakPolarHBondContact O-CB 3.4Å; V251-M255 WeakPolarHBondContact O-CG 3.35Å; V251-M255 PolarHBondContact O-N 2.64Å |
| 252 | R | 96.8 | Very high | 95.7 | Very high | 66 Ų | 66 | 45.7 Ų | 45.7 | 25% | 0.249 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.5 | -50 | 173.8 | -68.2 | -67.4 | -168.9 | -161 | -3.8 | 111.1 | I218 S220 D221 D222 L225 V248 Y250 Q254 M255 Q256 | I218-R252 PolarHBondContact O-NH1 3.04Å; S220-R252 PolarHBondContact O-NH1 3.31Å; S220-R252 PolarHBondContact O-NH2 3.48Å; D221-R252 PolarHBondContact O-NH2 2.71Å; D222-R252 IonicContact OD1-CZ 3.83Å; D222-R252 IonicContact OD1-NE 2.66Å; D222-R252 PolarHBondContact OD1-NE 3.21Å; D222-R252 IonicContact OD1-NH2 3.84Å; D222-R252 PolarHBondContact OD1-NH2 3.22Å; L225-R252 HydrophobicContact CD2-CG 4.12Å; V248-R252 HydrophobicContact CG1-CG 4.45Å; V248-R252 WeakPolarHBondContact O-CG 3.42Å; V248-R252 PolarHBondContact O-N 2.82Å; Y250-R252 PolarHBondContact O-N 3.38Å; R252-Q254 PolarHBondContact O-N 2.87Å; R252-M255 PolarHBondContact O-N 3.42Å; R252-Q256 WeakPolarHBondContact O-CB 3.28Å; R252-Q256 PolarHBondContact O-N 3.36Å |
| 253 | K | 94.5 | Very high | 95.7 | Very high | 22 Ų | 22 | 38 Ų | 38 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -37.8 | -180 | -81.3 | 173.1 | 178.7 | -176.2 | 0 | 114.2 | E249 Y250 V251 Y257 E279 | E249-K253 VanDerWaalsContact CD-CE 3.48Å; E249-K253 HydrophobicContact CG-CD 3.98Å; E249-K253 VanDerWaalsContact CG-CE 3.49Å; E249-K253 VanDerWaalsContact O-CB 3.24Å; E249-K253 WeakPolarHBondContact O-CB 3.42Å; E249-K253 WeakPolarHBondContact O-CD 3.29Å; E249-K253 WeakPolarHBondContact O-CG 3.44Å; E249-K253 PolarHBondContact O-N 3.43Å; E249-K253 WeakPolarHBondContact OE1-CE 3.3Å; E249-K253 IonicContact OE1-NZ 3.98Å; E249-K253 PolarHBondContact OE1-NZ 3.02Å; E249-K253 IonicContact OE2-NZ 2.88Å; E249-K253 PolarHBondContact OE2-NZ 3.45Å; Y250-K253 WeakPolarHBondContact O-CB 3.35Å; Y250-K253 PolarHBondContact O-N 3.16Å; V251-K253 PolarHBondContact O-N 3.08Å; K253-Y257 WeakPolarHBondContact O-CB 3.36Å; K253-Y257 PolarHBondContact O-N 3.3Å; K253-E279 VanDerWaalsContact CD-OE1 3.23Å; K253-E279 WeakPolarHBondContact CD-OE1 3.36Å; K253-E279 WeakPolarHBondContact CE-OE1 3.35Å; K253-E279 IonicContact NZ-OE1 3.77Å; K253-E279 PolarHBondContact NZ-OE1 3.5Å |
| 254 | Q | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -78 | -39.6 | 179.1 | -66.4 | -68.6 | 49.3 | 0 | 0 | 111.8 | M155 Y250 V251 R252 Y257 L258 R275 | M155-Q254 HydrophobicContact CE-CB 4.19Å; M155-Q254 HydrophobicContact CE-CG 4.42Å; M155-Q254 HydrophobicContact SD-CB 3.59Å; M155-Q254 VanDerWaalsContact SD-CB 3.59Å; M155-Q254 HydrophobicContact SD-CG 4.34Å; Y250-Q254 HydrophobicContact CD1-CG 4.1Å; Y250-Q254 HydrophobicContact CD2-CG 4.08Å; Y250-Q254 HydrophobicContact CE1-CG 3.68Å; Y250-Q254 HydrophobicContact CE2-CG 3.72Å; Y250-Q254 VanDerWaalsContact CE2-NE2 3.35Å; Y250-Q254 HydrophobicContact CG-CG 4.3Å; Y250-Q254 VanDerWaalsContact O-CG 3.32Å; Y250-Q254 WeakPolarHBondContact O-CG 3.12Å; Y250-Q254 PolarHBondContact O-N 2.99Å; Y250-Q254 PolarHBondContact OH-NE2 2.68Å; V251-Q254 PolarHBondContact O-N 2.62Å; R252-Q254 PolarHBondContact O-N 2.87Å; Q254-Y257 PolarHBondContact O-N 2.86Å; Q254-L258 WeakPolarHBondContact O-CB 3.24Å; Q254-L258 VanDerWaalsContact O-CG 3.29Å; Q254-L258 WeakPolarHBondContact O-CG 3.48Å; Q254-L258 PolarHBondContact O-N 3.12Å; Q254-R275 VanDerWaalsContact NE2-N 3.13Å; Q254-R275 PolarHBondContact NE2-O 3.29Å; Q254-R275 VanDerWaalsContact OE1-N 3.11Å |
| 255 | M | 97 | Very high | 95.8 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.039 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -50 | 174 | -74.5 | -54.1 | -46.1 | 0 | 0 | 111 | W154 M155 V158 I218 V251 R252 Y257 L258 D259 | W154-M255 HydrophobicContact CH2-CG 4.39Å; W154-M255 HydrophobicContact CH2-SD 4.37Å; W154-M255 HydrophobicContact CZ3-SD 4.47Å; M155-M255 HydrophobicContact CB-SD 3.73Å; M155-M255 HydrophobicContact CG-CG 4.42Å; M155-M255 HydrophobicContact CG-SD 3.72Å; V158-M255 HydrophobicContact CB-CE 3.88Å; V158-M255 HydrophobicContact CB-SD 4.41Å; V158-M255 HydrophobicContact CG1-CE 3.51Å; I218-M255 HydrophobicContact CD1-CB 4.4Å; I218-M255 HydrophobicContact CD1-CG 3.96Å; I218-M255 HydrophobicContact CG1-CG 4.25Å; V251-M255 HydrophobicContact CG1-CG 4.45Å; V251-M255 WeakPolarHBondContact O-CB 3.4Å; V251-M255 WeakPolarHBondContact O-CG 3.35Å; V251-M255 PolarHBondContact O-N 2.64Å; R252-M255 PolarHBondContact O-N 3.42Å; M255-Y257 PolarHBondContact O-N 2.57Å; M255-L258 PolarHBondContact O-N 3.5Å; M255-L258 HydrophobicContact SD-CD1 4.43Å; M255-D259 WeakPolarHBondContact O-CB 3.42Å; M255-D259 PolarHBondContact O-N 3.26Å |
| 256 | Q | 95 | Very high | 95.9 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 27% | 0.266 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -54.9 | -39.6 | 174.3 | -171.8 | -168.4 | 1.6 | 0 | 0 | 112.7 | R252 S260 L286 | R252-Q256 WeakPolarHBondContact O-CB 3.28Å; R252-Q256 PolarHBondContact O-N 3.36Å; Q256-S260 PolarHBondContact O-N 3.02Å; Q256-L286 PolarHBondContact NE2-O 2.97Å |
| 257 | Y | 94.7 | Very high | 95.9 | Very high | 64 Ų | 64 | 36.1 Ų | 36.1 | 25% | 0.251 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70.8 | -43.9 | 177.9 | 179.8 | -136.1 | 0 | 0 | 0 | 112.7 | K253 Q254 M255 S260 M261 S273 R275 L286 | K253-Y257 WeakPolarHBondContact O-CB 3.36Å; K253-Y257 PolarHBondContact O-N 3.3Å; Q254-Y257 PolarHBondContact O-N 2.86Å; M255-Y257 PolarHBondContact O-N 2.57Å; Y257-S260 PolarHBondContact O-N 2.8Å; Y257-S260 PolarHBondContact O-OG 2.83Å; Y257-M261 HydrophobicContact CD1-CE 3.69Å; Y257-M261 HydrophobicContact CD2-CE 4.27Å; Y257-M261 HydrophobicContact CE1-CE 3.37Å; Y257-M261 HydrophobicContact CE2-CE 3.98Å; Y257-M261 HydrophobicContact CG-CE 4.15Å; Y257-M261 PolarHBondContact O-N 3.07Å; Y257-S273 WeakPolarHBondContact CE1-O 3.49Å; Y257-S273 PolarHBondContact OH-OG 3.08Å; Y257-R275 HydrophobicContact CD1-CG 3.56Å; Y257-R275 HydrophobicContact CE1-CG 3.88Å; Y257-R275 HydrophobicContact CG-CG 4.09Å; Y257-L286 HydrophobicContact CD2-CD1 3.94Å; Y257-L286 HydrophobicContact CG-CD1 4.5Å |
| 258 | L | 96 | Very high | 95.8 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 176.2 | -71.5 | 171.4 | 0 | 0 | 0 | 111.7 | M155 R159 Q254 M255 S260 M261 V272 W274 | M155-L258 HydrophobicContact CB-CD1 3.66Å; R159-L258 HydrophobicContact CB-CB 4.16Å; R159-L258 WeakPolarHBondContact CD-O 3.13Å; R159-L258 HydrophobicContact CG-CB 4.12Å; R159-L258 PolarHBondContact NE-O 3.24Å; Q254-L258 WeakPolarHBondContact O-CB 3.24Å; Q254-L258 VanDerWaalsContact O-CG 3.29Å; Q254-L258 WeakPolarHBondContact O-CG 3.48Å; Q254-L258 PolarHBondContact O-N 3.12Å; M255-L258 PolarHBondContact O-N 3.5Å; M255-L258 HydrophobicContact SD-CD1 4.43Å; L258-S260 PolarHBondContact O-N 3.28Å; L258-M261 HydrophobicContact CD2-CE 4.08Å; L258-M261 HydrophobicContact CD2-SD 3.99Å; L258-M261 VanDerWaalsContact O-CB 3.32Å; L258-M261 WeakPolarHBondContact O-CB 3.29Å; L258-M261 PolarHBondContact O-N 2.88Å; L258-V272 HydrophobicContact CD2-CG1 3.71Å; L258-V272 HydrophobicContact CD2-CG2 4.27Å; L258-W274 HydrophobicContact CD1-CH2 4.43Å; L258-W274 HydrophobicContact CD1-CZ3 4.02Å; L258-W274 HydrophobicContact CD2-CZ3 4.42Å |
| 259 | D | 95.2 | Very high | 95.7 | Very high | 72 Ų | 72 | 41 Ų | 41 | 39% | 0.385 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.2 | -25.9 | 177.3 | -68.1 | -35 | 0 | 0 | 0 | 111.9 | R159 Q162 M255 M261 | R159-D259 WeakPolarHBondContact CD-OD1 3.34Å; Q162-D259 PolarHBondContact NE2-OD1 2.7Å; M255-D259 WeakPolarHBondContact O-CB 3.42Å; M255-D259 PolarHBondContact O-N 3.26Å; D259-M261 VanDerWaalsContact C-N 3.29Å; D259-M261 PolarHBondContact O-N 3.44Å |
| 260 | S | 94.3 | Very high | 95.7 | Very high | 69 Ų | 69 | 36.9 Ų | 36.9 | 48% | 0.483 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -10 | 170.2 | 78.7 | 0 | 0 | 0 | 0 | 114.9 | Q256 Y257 L258 | Q256-S260 PolarHBondContact O-N 3.02Å; Y257-S260 PolarHBondContact O-N 2.8Å; Y257-S260 PolarHBondContact O-OG 2.83Å; L258-S260 PolarHBondContact O-N 3.28Å |
| 261 | M | 94.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 14% | 0.138 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -82.8 | 142.9 | 178.1 | -59.8 | -177.1 | -175.8 | 0 | 0 | 112 | R159 Y257 L258 D259 G263 L266 | R159-M261 PolarHBondContact NH2-O 3.34Å; Y257-M261 HydrophobicContact CD1-CE 3.69Å; Y257-M261 HydrophobicContact CD2-CE 4.27Å; Y257-M261 HydrophobicContact CE1-CE 3.37Å; Y257-M261 HydrophobicContact CE2-CE 3.98Å; Y257-M261 HydrophobicContact CG-CE 4.15Å; Y257-M261 PolarHBondContact O-N 3.07Å; L258-M261 HydrophobicContact CD2-CE 4.08Å; L258-M261 HydrophobicContact CD2-SD 3.99Å; L258-M261 VanDerWaalsContact O-CB 3.32Å; L258-M261 WeakPolarHBondContact O-CB 3.29Å; L258-M261 PolarHBondContact O-N 2.88Å; D259-M261 VanDerWaalsContact C-N 3.29Å; D259-M261 PolarHBondContact O-N 3.44Å; M261-G263 PolarHBondContact O-N 3.09Å; M261-L266 HydrophobicContact CB-CD1 3.88Å; M261-L266 HydrophobicContact CB-CG 4.28Å; M261-L266 HydrophobicContact SD-CD1 4.46Å; M261-L266 HydrophobicContact SD-CD2 4.15Å |
| 262 | N | 95.8 | Very high | 95.4 | Very high | 86 Ų | 86 | 41.7 Ų | 41.7 | 46% | 0.46 | 21% | 0.211 | S | C | . | . | trans | -65.4 | 120.3 | 174.8 | -176.5 | -11.3 | 0 | 0 | 0 | 111.5 | E264 D265 L266 | N262-E264 PolarHBondContact O-N 2.92Å; N262-E264 WeakPolarHBondContact OD1-CB 3.48Å; N262-E264 PolarHBondContact OD1-N 2.78Å; N262-D265 HydrophobicContact CB-CB 4.13Å; N262-D265 VanDerWaalsContact CB-OD2 3.29Å; N262-D265 WeakPolarHBondContact CB-OD2 3.48Å; N262-D265 PolarHBondContact ND2-OD2 3.21Å; N262-D265 PolarHBondContact O-N 3.28Å; N262-L266 WeakPolarHBondContact O-CG 3.45Å; N262-L266 PolarHBondContact O-N 3.42Å | ||
| 263 | G | 94.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.8 | -29.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E163 M261 L266 L267 | E163-G263 VanDerWaalsContact CD-CA 3.44Å; E163-G263 WeakPolarHBondContact OE1-CA 3.18Å; M261-G263 PolarHBondContact O-N 3.09Å; G263-L266 PolarHBondContact O-N 3.12Å; G263-L267 WeakPolarHBondContact O-CB 3.25Å; G263-L267 WeakPolarHBondContact O-CG 3.35Å; G263-L267 PolarHBondContact O-N 3.3Å |
| 264 | E | 93.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 41.4 Ų | 41.4 | 40% | 0.397 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.7 | -43.4 | 174.8 | -58.7 | -148.7 | -169.2 | 0 | 0 | 110.9 | K106 Y107 N262 L267 L268 | K106-E264 WeakPolarHBondContact CE-OE2 3.32Å; K106-E264 IonicContact NZ-OE1 3.25Å; K106-E264 PolarHBondContact NZ-OE1 2.88Å; K106-E264 IonicContact NZ-OE2 3.89Å; K106-E264 PolarHBondContact NZ-OE2 3.23Å; Y107-E264 PolarHBondContact OH-OE2 3.2Å; N262-E264 PolarHBondContact O-N 2.92Å; N262-E264 WeakPolarHBondContact OD1-CB 3.48Å; N262-E264 PolarHBondContact OD1-N 2.78Å; E264-L267 PolarHBondContact O-N 3.06Å; E264-L268 WeakPolarHBondContact O-CG 3.39Å; E264-L268 PolarHBondContact O-N 2.87Å |
| 265 | D | 95.8 | Very high | 95 | Very high | 84 Ų | 84 | 42.7 Ų | 42.7 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 176.3 | -65.6 | -39.1 | 0 | 0 | 0 | 110.9 | N262 L267 L268 T269 | N262-D265 HydrophobicContact CB-CB 4.13Å; N262-D265 VanDerWaalsContact CB-OD2 3.29Å; N262-D265 WeakPolarHBondContact CB-OD2 3.48Å; N262-D265 PolarHBondContact ND2-OD2 3.21Å; N262-D265 PolarHBondContact O-N 3.28Å; D265-L267 PolarHBondContact O-N 3.05Å; D265-L268 PolarHBondContact O-N 3.41Å; D265-T269 WeakPolarHBondContact O-CB 3.38Å; D265-T269 WeakPolarHBondContact O-CG2 3.24Å; D265-T269 PolarHBondContact O-N 3.29Å; D265-T269 PolarHBondContact O-OG1 3.26Å |
| 266 | L | 96.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -38.6 | 173.6 | -72.9 | 178.5 | 0 | 0 | 0 | 112.7 | M119 R159 M160 M170 M261 N262 G263 L268 G270 V272 | M119-L266 HydrophobicContact CE-CB 4.19Å; M119-L266 HydrophobicContact CE-CD1 4.47Å; M119-L266 HydrophobicContact CE-CD2 3.9Å; M119-L266 HydrophobicContact CE-CG 4.42Å; R159-L266 HydrophobicContact CG-CD1 4.05Å; M160-L266 HydrophobicContact CE-CB 4.08Å; M160-L266 HydrophobicContact SD-CB 3.83Å; M160-L266 HydrophobicContact SD-CD1 3.93Å; M170-L266 WeakPolarHBondContact CE-O 3.32Å; M261-L266 HydrophobicContact CB-CD1 3.88Å; M261-L266 HydrophobicContact CB-CG 4.28Å; M261-L266 HydrophobicContact SD-CD1 4.46Å; M261-L266 HydrophobicContact SD-CD2 4.15Å; N262-L266 WeakPolarHBondContact O-CG 3.45Å; N262-L266 PolarHBondContact O-N 3.42Å; G263-L266 PolarHBondContact O-N 3.12Å; L266-L268 PolarHBondContact O-N 2.89Å; L266-G270 WeakPolarHBondContact O-CA 3.17Å; L266-G270 PolarHBondContact O-N 3.34Å; L266-V272 HydrophobicContact CD2-CG2 4.03Å |
| 267 | L | 96.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.6 | -22.5 | 175.3 | -80.6 | 176.6 | 0 | 0 | 0 | 114 | Y107 A115 M160 E163 M170 G263 E264 D265 | Y107-L267 HydrophobicContact CD2-CB 3.86Å; Y107-L267 HydrophobicContact CD2-CD1 4.12Å; Y107-L267 HydrophobicContact CE2-CB 3.62Å; Y107-L267 HydrophobicContact CE2-CD1 3.65Å; Y107-L267 HydrophobicContact CE2-CG 4.29Å; A115-L267 WeakPolarHBondContact CB-O 3.35Å; M160-L267 HydrophobicContact CE-CD2 3.66Å; M160-L267 HydrophobicContact CE-CG 3.71Å; E163-L267 HydrophobicContact CB-CD1 3.98Å; E163-L267 HydrophobicContact CB-CG 4.29Å; E163-L267 HydrophobicContact CG-CD1 4.49Å; M170-L267 HydrophobicContact CB-CD2 4.3Å; M170-L267 HydrophobicContact SD-CD2 3.9Å; G263-L267 WeakPolarHBondContact O-CB 3.25Å; G263-L267 WeakPolarHBondContact O-CG 3.35Å; G263-L267 PolarHBondContact O-N 3.3Å; E264-L267 PolarHBondContact O-N 3.06Å; D265-L267 PolarHBondContact O-N 3.05Å |
| 268 | L | 95.1 | Very high | 94.6 | Very high | 66 Ų | 66 | 42.8 Ų | 42.8 | 35% | 0.346 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -101.2 | -42.5 | -177.2 | -71.5 | 172 | 0 | 0 | 0 | 113.1 | Y107 K111 E264 D265 L266 | Y107-L268 HydrophobicContact CD1-CD2 3.74Å; Y107-L268 HydrophobicContact CD1-CG 4.45Å; Y107-L268 HydrophobicContact CD2-CD2 4.17Å; Y107-L268 HydrophobicContact CD2-CG 4.44Å; Y107-L268 HydrophobicContact CE1-CD1 4.19Å; Y107-L268 HydrophobicContact CE1-CD2 3.99Å; Y107-L268 HydrophobicContact CE1-CG 4.24Å; Y107-L268 HydrophobicContact CE2-CD2 4.4Å; Y107-L268 HydrophobicContact CE2-CG 4.25Å; Y107-L268 HydrophobicContact CG-CD2 3.84Å; K111-L268 HydrophobicContact CD-CD2 4.27Å; E264-L268 WeakPolarHBondContact O-CG 3.39Å; E264-L268 PolarHBondContact O-N 2.87Å; D265-L268 PolarHBondContact O-N 3.41Å; L266-L268 PolarHBondContact O-N 2.89Å |
| 269 | T | 96.2 | Very high | 94 | Very high | 47 Ų | 47 | 44.4 Ų | 44.4 | 29% | 0.288 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -92.5 | -40.2 | -176.4 | 66.1 | 0 | 0 | 0 | 0 | 112.1 | R118 D265 E271 | R118-T269 WeakPolarHBondContact CD-O 3.32Å; R118-T269 PolarHBondContact NH1-O 3.47Å; R118-T269 VanDerWaalsContact NH1-O 3.12Å; D265-T269 WeakPolarHBondContact O-CB 3.38Å; D265-T269 WeakPolarHBondContact O-CG2 3.24Å; D265-T269 PolarHBondContact O-N 3.29Å; D265-T269 PolarHBondContact O-OG1 3.26Å; T269-E271 PolarHBondContact O-N 3.15Å; T269-E271 PolarHBondContact OG1-N 3.32Å; T269-E271 VanDerWaalsContact OG1-N 3.12Å |
| 270 | G | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | 67.2 | 14.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A115 R118 M119 L266 V272 | A115-G270 VanDerWaalsContact O-CA 3.3Å; A115-G270 WeakPolarHBondContact O-CA 3.38Å; R118-G270 CarbonylContact C-O 3.56Å; M119-G270 WeakPolarHBondContact CA-O 3.46Å; M119-G270 WeakPolarHBondContact CB-O 3.27Å; M119-G270 PolarHBondContact N-O 2.96Å; M119-G270 VanDerWaalsContact N-O 3.07Å; L266-G270 WeakPolarHBondContact O-CA 3.17Å; L266-G270 PolarHBondContact O-N 3.34Å; G270-V272 PolarHBondContact O-N 3.34Å | ||
| 271 | E | 93.6 | Very high | 92.1 | Very high | 106 Ų | 106 | 51.6 Ų | 51.6 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | trans | -91.4 | 102.5 | -169.5 | -70.2 | -176.9 | -143 | 0 | 0 | 111.8 | R118 T269 | R118-E271 IonicContact CZ-OE1 3.95Å; R118-E271 IonicContact NH1-OE1 3.72Å; R118-E271 PolarHBondContact NH1-OE1 3.12Å; T269-E271 PolarHBondContact O-N 3.15Å; T269-E271 PolarHBondContact OG1-N 3.32Å; T269-E271 VanDerWaalsContact OG1-N 3.12Å | ||
| 272 | V | 94.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | trans | -99.4 | 144.4 | 170.7 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | M119 K126 L258 L266 G270 W274 | M119-V272 HydrophobicContact CE-CG2 3.68Å; M119-V272 HydrophobicContact CG-CG2 4.02Å; K126-V272 WeakPolarHBondContact CD-O 3.29Å; K126-V272 PolarHBondContact NZ-O 2.84Å; L258-V272 HydrophobicContact CD2-CG1 3.71Å; L258-V272 HydrophobicContact CD2-CG2 4.27Å; L266-V272 HydrophobicContact CD2-CG2 4.03Å; G270-V272 PolarHBondContact O-N 3.34Å; V272-W274 HydrophobicContact CG1-CD2 4.01Å; V272-W274 HydrophobicContact CG1-CE3 4.19Å; V272-W274 HydrophobicContact CG1-CH2 4.08Å; V272-W274 HydrophobicContact CG1-CZ2 3.86Å; V272-W274 HydrophobicContact CG1-CZ3 4.24Å | ||
| 273 | S | 91.9 | Very high | 88.8 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | trans | -111.6 | 144.9 | 163.9 | 34.6 | 0 | 0 | 0 | 0 | 108.9 | Y257 | Y257-S273 WeakPolarHBondContact CE1-O 3.49Å; Y257-S273 PolarHBondContact OH-OG 3.08Å | ||
| 274 | W | 94.3 | Very high | 87.2 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 13% | 0.125 | 32% | 0.323 | C | S | . | . | trans | -110.3 | 130.7 | 176.9 | -59.8 | 115.9 | 0 | 0 | 0 | 109.8 | S122 T127 H152 M155 C156 L258 V272 | S122-W274 PolarHBondContact O-NE1 3.21Å; T127-W274 PolarHBondContact OG1-NE1 3.37Å; H152-W274 HydrophobicContact CB-CH2 4Å; H152-W274 HydrophobicContact CB-CZ2 3.86Å; H152-W274 AromaticContact CD2-CD2 3.68Å; H152-W274 AromaticContact CD2-CE2 3.64Å; H152-W274 AromaticContact CD2-CE3 3.82Å; H152-W274 AromaticContact CD2-CH2 3.92Å; H152-W274 AromaticContact CD2-CZ2 3.79Å; H152-W274 AromaticContact CD2-CZ3 3.93Å; M155-W274 HydrophobicContact CE-CE3 4.43Å; M155-W274 HydrophobicContact CE-CH2 4.26Å; M155-W274 HydrophobicContact CE-CZ3 3.73Å; C156-W274 VanDerWaalsContact SG-CH2 3.6Å; L258-W274 HydrophobicContact CD1-CH2 4.43Å; L258-W274 HydrophobicContact CD1-CZ3 4.02Å; L258-W274 HydrophobicContact CD2-CZ3 4.42Å; V272-W274 HydrophobicContact CG1-CD2 4.01Å; V272-W274 HydrophobicContact CG1-CE3 4.19Å; V272-W274 HydrophobicContact CG1-CH2 4.08Å; V272-W274 HydrophobicContact CG1-CZ2 3.86Å; V272-W274 HydrophobicContact CG1-CZ3 4.24Å | ||
| 275 | R | 93.5 | Very high | 85.6 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 10% | 0.102 | 32% | 0.322 | C | S | . | . | trans | -67.2 | 151.3 | 165.3 | -53.9 | 179.6 | 67.8 | -129.3 | -12.1 | 109 | Y250 Q254 Y257 E279 S284 | Y250-R275 WeakPolarHBondContact CE2-O 3.33Å; Q254-R275 VanDerWaalsContact NE2-N 3.13Å; Q254-R275 PolarHBondContact NE2-O 3.29Å; Q254-R275 VanDerWaalsContact OE1-N 3.11Å; Y257-R275 HydrophobicContact CD1-CG 3.56Å; Y257-R275 HydrophobicContact CE1-CG 3.88Å; Y257-R275 HydrophobicContact CG-CG 4.09Å; R275-E279 IonicContact CZ-OE1 3.81Å; R275-E279 IonicContact NH1-OE1 3.08Å; R275-E279 IonicContact NH2-OE1 2.87Å; R275-E279 PolarHBondContact NH2-OE1 2.95Å; R275-E279 IonicContact NH2-OE2 3.28Å; R275-E279 PolarHBondContact NH2-OE2 3.19Å; R275-S284 VanDerWaalsContact NH2-C 3.29Å; R275-S284 PolarHBondContact NH2-O 2.92Å; R275-S284 PolarHBondContact NH2-OG 3.07Å | ||
| 276 | P | 93.4 | Very high | 83.9 | Confident | 80 Ų | 80 | 60.3 Ų | 60.3 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | trans | -65.9 | 157 | -179 | 28.8 | -36.6 | 0 | 0 | 0 | 111.9 | V278 | P276-V278 VanDerWaalsContact C-N 3.31Å; P276-V278 PolarHBondContact O-N 2.98Å | ||
| 277 | L | 93.9 | Very high | 82 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -61.7 | -39.6 | 175 | -179.6 | 57.3 | 0 | 0 | 0 | 111.9 | E131 F132 R135 L246 Y250 | E131-L277 HydrophobicContact CG-CB 4.06Å; E131-L277 HydrophobicContact CG-CD2 4.29Å; F132-L277 HydrophobicContact CB-CD2 4.44Å; F132-L277 HydrophobicContact CD1-CD1 4.44Å; F132-L277 HydrophobicContact CD1-CD2 3.73Å; F132-L277 HydrophobicContact CD2-CD2 4.29Å; F132-L277 HydrophobicContact CE1-CD1 3.85Å; F132-L277 HydrophobicContact CE1-CD2 3.97Å; F132-L277 HydrophobicContact CE1-CG 4.46Å; F132-L277 HydrophobicContact CE2-CB 4.47Å; F132-L277 HydrophobicContact CE2-CD2 4.48Å; F132-L277 HydrophobicContact CG-CD2 3.9Å; F132-L277 HydrophobicContact CZ-CD1 3.98Å; F132-L277 HydrophobicContact CZ-CD2 4.33Å; R135-L277 HydrophobicContact CB-CD2 3.9Å; R135-L277 HydrophobicContact CG-CD2 4.25Å; L246-L277 HydrophobicContact CD1-CD1 4.46Å; L246-L277 WeakPolarHBondContact CD1-O 3.39Å; L246-L277 HydrophobicContact CD2-CD1 4.48Å; L246-L277 HydrophobicContact CD2-CD2 4.44Å; L246-L277 HydrophobicContact CD2-CG 4.24Å; L246-L277 HydrophobicContact CG-CD1 4.13Å; L246-L277 HydrophobicContact CG-CG 4.35Å; Y250-L277 HydrophobicContact CD1-CD1 4.34Å; Y250-L277 HydrophobicContact CD2-CB 4.39Å; Y250-L277 HydrophobicContact CD2-CD1 3.75Å; Y250-L277 HydrophobicContact CE2-CB 4.41Å; Y250-L277 HydrophobicContact CE2-CD1 4.35Å; Y250-L277 HydrophobicContact CG-CD1 3.69Å |
| 278 | V | 91.4 | Very high | 79.9 | Confident | 41 Ų | 41 | 73.8 Ų | 73.8 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -116.8 | 120.8 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | R135 L246 P276 | R135-V278 HydrophobicContact CG-CG2 4.23Å; L246-V278 HydrophobicContact CD1-CG2 4.04Å; L246-V278 HydrophobicContact CD2-CG2 4.33Å; P276-V278 VanDerWaalsContact C-N 3.31Å; P276-V278 PolarHBondContact O-N 2.98Å |
| 279 | E | 82.5 | Confident | 77.7 | Confident | 36 Ų | 36 | 78.9 Ų | 78.9 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | trans | -75.4 | 131.6 | 174.8 | -73.1 | -170.6 | -128.8 | 0 | 0 | 111.8 | K253 R275 S284 I285 | K253-E279 VanDerWaalsContact CD-OE1 3.23Å; K253-E279 WeakPolarHBondContact CD-OE1 3.36Å; K253-E279 WeakPolarHBondContact CE-OE1 3.35Å; K253-E279 IonicContact NZ-OE1 3.77Å; K253-E279 PolarHBondContact NZ-OE1 3.5Å; R275-E279 IonicContact CZ-OE1 3.81Å; R275-E279 IonicContact NH1-OE1 3.08Å; R275-E279 IonicContact NH2-OE1 2.87Å; R275-E279 PolarHBondContact NH2-OE1 2.95Å; R275-E279 IonicContact NH2-OE2 3.28Å; R275-E279 PolarHBondContact NH2-OE2 3.19Å; E279-S284 WeakPolarHBondContact OE2-CB 3.5Å; E279-S284 PolarHBondContact OE2-OG 2.88Å; E279-I285 WeakPolarHBondContact OE1-CG1 3.38Å; E279-I285 PolarHBondContact OE2-N 3.26Å | ||
| 280 | K | 75.8 | Confident | 75 | Confident | 213 Ų | 213 | 81.3 Ų | 81.3 | 93% | 0.926 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -89.9 | -9.9 | 172.9 | -62.7 | -178.2 | -178.1 | 177.4 | 0 | 113.5 | ||
| 281 | N | 74.3 | Confident | 72.5 | Confident | 79 Ų | 79 | 87.2 Ų | 87.2 | 42% | 0.422 | 47% | 0.466 | S | S | . | . | trans | -139.7 | 112.9 | 178.5 | 179.3 | -0.9 | 0 | 0 | 0 | 109.8 | Q283 S284 | N281-Q283 PolarHBondContact O-N 2.94Å; N281-Q283 VanDerWaalsContact O-N 3.14Å; N281-Q283 WeakPolarHBondContact OD1-CB 3.43Å; N281-Q283 PolarHBondContact OD1-N 3.44Å; N281-S284 PolarHBondContact O-N 2.99Å | ||
| 282 | P | 61.1 | Low | 70 | Confident | 102 Ų | 102 | 88.3 Ų | 88.3 | 66% | 0.662 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -66.3 | -13.8 | -178.3 | 28.7 | -36 | 0 | 0 | 0 | 113.9 | S284 I285 | P282-S284 PolarHBondContact O-N 3.45Å; P282-I285 WeakPolarHBondContact O-CG1 3.36Å |
| 283 | Q | 59.6 | Low | 67.5 | Low | 170 Ų | 170 | 97.2 Ų | 97.2 | 79% | 0.794 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -74.7 | -8.3 | 173 | -60.8 | -178 | -22.4 | 0 | 0 | 113.5 | N281 I285 | N281-Q283 PolarHBondContact O-N 2.94Å; N281-Q283 VanDerWaalsContact O-N 3.14Å; N281-Q283 WeakPolarHBondContact OD1-CB 3.43Å; N281-Q283 PolarHBondContact OD1-N 3.44Å; Q283-I285 VanDerWaalsContact C-N 3.29Å |
| 284 | S | 60.9 | Low | 65.5 | Low | 55 Ų | 55 | 100.6 Ų | 100.6 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -81.6 | -9.2 | 178 | 106.5 | 0 | 0 | 0 | 0 | 113.4 | R275 E279 N281 P282 L286 | R275-S284 VanDerWaalsContact NH2-C 3.29Å; R275-S284 PolarHBondContact NH2-O 2.92Å; R275-S284 PolarHBondContact NH2-OG 3.07Å; E279-S284 WeakPolarHBondContact OE2-CB 3.5Å; E279-S284 PolarHBondContact OE2-OG 2.88Å; N281-S284 PolarHBondContact O-N 2.99Å; P282-S284 PolarHBondContact O-N 3.45Å; S284-L286 PolarHBondContact O-N 2.98Å |
| 285 | I | 59.9 | Low | 63.4 | Low | 76 Ų | 76 | 105.9 Ų | 105.9 | 39% | 0.39 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -61.3 | 115.6 | 171.2 | -57.6 | 174.5 | 0 | 0 | 0 | 108.5 | E279 P282 Q283 K287 | E279-I285 WeakPolarHBondContact OE1-CG1 3.38Å; E279-I285 PolarHBondContact OE2-N 3.26Å; P282-I285 WeakPolarHBondContact O-CG1 3.36Å; Q283-I285 VanDerWaalsContact C-N 3.29Å; I285-K287 PolarHBondContact O-N 3.35Å |
| 286 | L | 59.9 | Low | 61 | Low | 66 Ų | 66 | 113.2 Ų | 113.2 | 35% | 0.346 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 124 | 172.3 | -67.4 | 173.9 | 0 | 0 | 0 | 108.6 | Q256 Y257 S284 | Q256-L286 PolarHBondContact NE2-O 2.97Å; Y257-L286 HydrophobicContact CD2-CD1 3.94Å; Y257-L286 HydrophobicContact CG-CD1 4.5Å; S284-L286 PolarHBondContact O-N 2.98Å |
| 287 | K | 56.6 | Low | 58.6 | Low | 186 Ų | 186 | 112.6 Ų | 112.6 | 81% | 0.809 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 135.4 | 166.6 | -69.2 | -174.7 | 177.5 | -177.6 | 0 | 108 | I285 H289 | I285-K287 PolarHBondContact O-N 3.35Å; K287-H289 PolarHBondContact O-N 3.37Å |
| 288 | P | 52.5 | Low | 55.8 | Low | 106 Ų | 106 | 124.4 Ų | 124.4 | 69% | 0.688 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 135.2 | 169.9 | -25.7 | 34.6 | 0 | 0 | 0 | 109.5 | S290 | P288-S290 PolarHBondContact O-N 3.22Š|
| 289 | H | 49.7 | Very low | 54 | Low | 174 Ų | 174 | 128.6 Ų | 128.6 | 81% | 0.806 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 127 | 162.2 | -78.3 | -9.5 | 0 | 0 | 0 | 107.2 | K287 | K287-H289 PolarHBondContact O-N 3.37Š|
| 290 | S | 40.5 | Very low | 52.5 | Low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 132.8 | 167.8 | 46.1 | 0 | 0 | 0 | 0 | 108 | P288 T292 | P288-S290 PolarHBondContact O-N 3.22Å; S290-T292 PolarHBondContact O-N 3.26Å; S290-T292 VanDerWaalsContact O-N 3.08Å |
| 291 | P | 43.8 | Very low | 51.2 | Low | 124 Ų | 124 | 129 Ų | 129 | 81% | 0.805 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 122.2 | -179.6 | 24.2 | -33.4 | 0 | 0 | 0 | 108.8 | Y293 | P291-Y293 PolarHBondContact O-N 3.05Š|
| 292 | T | 40 | Very low | 49.9 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | trans | -71.2 | 80.4 | 173.9 | -34.4 | 0 | 0 | 0 | 0 | 107.8 | S290 N294 | S290-T292 PolarHBondContact O-N 3.26Å; S290-T292 VanDerWaalsContact O-N 3.08Å; T292-N294 PolarHBondContact O-N 3.42Å | ||
| 293 | Y | 41.8 | Very low | 49.2 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | trans | -67.1 | 112.8 | 167.4 | -160.7 | -91.6 | 0 | 0 | 0 | 106.2 | P291 D295 | P291-Y293 PolarHBondContact O-N 3.05Å; Y293-D295 WeakPolarHBondContact CD1-OD1 3.36Å; Y293-D295 PolarHBondContact O-N 3.35Å; Y293-D295 VanDerWaalsContact O-N 3.15Å | ||
| 294 | N | 49.7 | Very low | 48.5 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 64% | 0.642 | 72% | 0.716 | S | S | * | * | trans | -73.4 | 106.1 | 171.6 | -67.7 | -16.6 | 0 | 0 | 0 | 106.3 | T292 E296 | T292-N294 PolarHBondContact O-N 3.42Å; N294-E296 PolarHBondContact O-N 3.43Å | ||
| 295 | D | 51.3 | Low | 47.6 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | -66.9 | 6.7 | 177 | -70.1 | -45 | 0 | 0 | 0 | 113.7 | Y293 G297 | Y293-D295 WeakPolarHBondContact CD1-OD1 3.36Å; Y293-D295 PolarHBondContact O-N 3.35Å; Y293-D295 VanDerWaalsContact O-N 3.15Å; D295-G297 PolarHBondContact O-N 3.26Å | ||
| 296 | E | 41.8 | Very low | 46.6 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -65.9 | 78.2 | 162.7 | -64.6 | -71.2 | 143.3 | 0 | 0 | 109.6 | N294 | N294-E296 PolarHBondContact O-N 3.43Š| ||
| 297 | G | 43.3 | Very low | 45.5 | Very low | 67 Ų | 67 | 147.8 Ų | 147.8 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | -70 | 176.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | D295 | D295-G297 PolarHBondContact O-N 3.26Š| ||
| 298 | L | 35.3 | Very low | 44.5 | Very low | 257 Ų | 257 | 144.4 Ų | 144.4 | 100% | 1.346 | 80% | 0.8 | S | S | * | * | trans | -70.1 | 0 | 175.3 | -73.5 | 162.7 | 0 | 0 | 0 | 113.2 |
Retrieved 298 of 298 residues in 231.4 ms
(Link to these results)