| 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 | 33.8 | Very low | 38.9 | Very low | 212 Ų | 212 | 147.4 Ų | 147.4 | 100% | 1.044 | 77% | 0.772 | S | S | * | * | 0 | 97.3 | 0 | -82.4 | 157.1 | 93 | 0 | 0 | 108 | |||||
| 2 | N | 26.8 | Very low | 39.6 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 88% | 0.882 | 72% | 0.716 | S | S | * | * | trans | -116 | 105.5 | 168.3 | -76.8 | -6.8 | 0 | 0 | 0 | 106.4 | A4 | N2-A4 VanDerWaalsContact C-N 3.34Å; N2-A4 PolarHBondContact O-N 2.9Å; N2-A4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | W | 32.3 | Very low | 40.1 | Very low | 232 Ų | 232 | 131 Ų | 131 | 88% | 0.879 | 68% | 0.684 | S | S | * | * | trans | -77.1 | 88.9 | 172.2 | -71.2 | 73.9 | 0 | 0 | 0 | 107.6 | N5 | W3-N5 PolarHBondContact O-N 2.95Š| ||
| 4 | A | 32.9 | Very low | 40.9 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 65% | 0.653 | 64% | 0.641 | S | S | * | * | trans | -69.3 | 118 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | N2 E6 | N2-A4 VanDerWaalsContact C-N 3.34Å; N2-A4 PolarHBondContact O-N 2.9Å; N2-A4 VanDerWaalsContact O-N 3.1Å; A4-E6 PolarHBondContact O-N 3.47Å | ||
| 5 | N | 39.8 | Very low | 41.4 | Very low | 166 Ų | 166 | 117.3 Ų | 117.3 | 89% | 0.888 | 61% | 0.613 | S | S | * | * | trans | -61.2 | 85.1 | 161.9 | -87.3 | -26.9 | 0 | 0 | 0 | 108.2 | W3 S7 | W3-N5 PolarHBondContact O-N 2.95Å; N5-S7 PolarHBondContact O-N 2.92Å; N5-S7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | E | 38.3 | Very low | 42.3 | Very low | 178 Ų | 178 | 110.5 Ų | 110.5 | 83% | 0.832 | 58% | 0.58 | S | S | * | * | trans | -75.8 | 97.5 | 167.9 | -75 | -158.6 | 167.3 | 0 | 0 | 108.5 | A4 S8 | A4-E6 PolarHBondContact O-N 3.47Å; E6-S8 PolarHBondContact O-N 3.07Å; E6-S8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | S | 44.2 | Very low | 42.8 | Very low | 110 Ų | 110 | 106.1 Ų | 106.1 | 77% | 0.769 | 56% | 0.555 | S | S | * | * | trans | -55.9 | 114 | 163.7 | 53.2 | 0 | 0 | 0 | 0 | 108.7 | N5 | N5-S7 PolarHBondContact O-N 2.92Å; N5-S7 VanDerWaalsContact O-N 3.12Å | ||
| 8 | S | 40.7 | Very low | 43.2 | Very low | 94 Ų | 94 | 101.5 Ų | 101.5 | 66% | 0.657 | 53% | 0.533 | S | S | * | . | trans | -47.1 | 129.8 | 175.6 | -169.3 | 0 | 0 | 0 | 0 | 111 | E6 | E6-S8 PolarHBondContact O-N 3.07Å; E6-S8 VanDerWaalsContact O-N 3.08Å | ||
| 9 | P | 46 | Very low | 43.8 | Very low | 80 Ų | 80 | 103.5 Ų | 103.5 | 52% | 0.519 | 54% | 0.544 | S | S | . | . | trans | -67.3 | 135 | -177.2 | -13.4 | 26.8 | 0 | 0 | 0 | 111.1 | ||||
| 10 | K | 50.7 | Low | 44.7 | Very low | 178 Ų | 178 | 104.3 Ų | 104.3 | 77% | 0.774 | 54% | 0.54 | S | S | * | . | trans | -90.2 | -10.1 | -169.5 | -73 | -179.8 | 177.4 | 177 | 0 | 115.6 | S93 Y94 | K10-S93 WeakPolarHBondContact O-CA 3.34Å; K10-Y94 PolarHBondContact O-N 3.11Å | ||
| 11 | E | 41.9 | Very low | 45.7 | Very low | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.593 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141 | 137.2 | -169.5 | -62.5 | -175 | -166.9 | 0 | 0 | 112.8 | T91 | E11-T91 PolarHBondContact OE2-OG1 2.92Å |
| 12 | F | 48.3 | Very low | 47.4 | Very low | 24 Ų | 24 | 101 Ų | 101 | 11% | 0.105 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 139.8 | 169.9 | -73.1 | -70.6 | 0 | 0 | 0 | 109.9 | T91 I92 Y94 C97 V174 L187 | F12-T91 CarbonylContact O-C 3.38Å; F12-T91 WeakPolarHBondContact O-CA 3.35Å; F12-I92 HydrophobicContact CB-CG2 3.86Å; F12-I92 PolarHBondContact N-O 3.13Å; F12-I92 PolarHBondContact O-N 3.43Å; F12-Y94 HydrophobicContact CD2-CD2 4.34Å; F12-Y94 AromaticContact CE2-CD2 3.19Å; F12-Y94 HydrophobicContact CE2-CD2 3.19Å; F12-Y94 HydrophobicContact CE2-CE2 4.07Å; F12-Y94 AromaticContact CE2-CG 3.85Å; F12-Y94 HydrophobicContact CE2-CG 3.85Å; F12-Y94 AromaticContact CZ-CD2 3.48Å; F12-Y94 HydrophobicContact CZ-CD2 3.48Å; F12-Y94 VanDerWaalsContact CZ-CD2 3.48Å; F12-Y94 HydrophobicContact CZ-CE2 4.11Å; F12-Y94 HydrophobicContact CZ-CG 4.49Å; F12-C97 HydrophobicContact CD2-CB 4.03Å; F12-C97 HydrophobicContact CE2-CB 4.25Å; F12-V174 HydrophobicContact CD1-CG2 3.7Å; F12-V174 HydrophobicContact CE1-CG2 4.16Å; F12-V174 HydrophobicContact CG-CG2 4.49Å; F12-L187 HydrophobicContact CE1-CD1 4.23Å |
| 13 | I | 45.8 | Very low | 49.3 | Very low | 58 Ų | 58 | 95.2 Ų | 95.2 | 30% | 0.297 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.8 | 176 | -56.3 | 169.6 | 0 | 0 | 0 | 109 | L15 K90 T91 V174 | I13-L15 HydrophobicContact CG2-CD1 4.02Å; I13-L15 HydrophobicContact CG2-CG 3.92Å; I13-K90 CarbonylContact C-O 3.11Å; I13-K90 WeakPolarHBondContact CA-O 3.28Å; I13-K90 HydrophobicContact CG2-CB 4.06Å; I13-T91 HydrophobicContact CG1-CG2 3.9Å; I13-V174 CarbonylContact O-C 3.47Å; I13-V174 PolarHBondContact O-N 3.27Å |
| 14 | L | 50.6 | Low | 51.3 | Low | 16 Ų | 16 | 86.5 Ų | 86.5 | 8% | 0.084 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 105.3 | 168.7 | -95.5 | 85.7 | 0 | 0 | 0 | 109.7 | K90 I92 H176 F177 | L14-K90 PolarHBondContact N-O 3.5Å; L14-I92 HydrophobicContact CD1-CB 3.71Å; L14-I92 HydrophobicContact CD1-CG2 3.14Å; L14-H176 WeakPolarHBondContact CD2-O 3.4Å; L14-H176 WeakPolarHBondContact CG-O 3.23Å; L14-F177 WeakPolarHBondContact CD2-O 3.38Å |
| 15 | L | 49 | Very low | 53.4 | Low | 41 Ų | 41 | 89.5 Ų | 89.5 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | trans | -86.7 | -19 | -177.5 | -80.4 | 132 | 0 | 0 | 0 | 114.9 | I13 F17 S18 D175 | I13-L15 HydrophobicContact CG2-CD1 4.02Å; I13-L15 HydrophobicContact CG2-CG 3.92Å; L15-F17 PolarHBondContact O-N 3.16Å; L15-F17 VanDerWaalsContact O-N 3.14Å; L15-S18 WeakPolarHBondContact O-CA 3.3Å; L15-S18 WeakPolarHBondContact O-CB 3.18Å; L15-S18 PolarHBondContact O-N 3.21Å; L15-D175 HydrophobicContact CB-CB 4.06Å; L15-D175 WeakPolarHBondContact CB-OD1 3.42Å; L15-D175 HydrophobicContact CD1-CB 4.34Å | ||
| 16 | G | 56.2 | Low | 55.2 | Low | 8 Ų | 8 | 84.8 Ų | 84.8 | 8% | 0.082 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.5 | -118.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115 | D175 F177 K272 | G16-D175 PolarHBondContact N-OD1 2.91Å; G16-F177 VanDerWaalsContact C-CE2 3.47Å; G16-F177 VanDerWaalsContact CA-CE2 3.46Å; G16-K272 PolarHBondContact O-NZ 3Å |
| 17 | F | 50 | Low | 57 | Low | 35 Ų | 35 | 77.6 Ų | 77.6 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 29.6 | 170.7 | -78 | -61 | 0 | 0 | 0 | 112.3 | L15 D19 R20 L27 F177 D269 | L15-F17 PolarHBondContact O-N 3.16Å; L15-F17 VanDerWaalsContact O-N 3.14Å; F17-D19 PolarHBondContact O-N 3.19Å; F17-R20 PolarHBondContact O-N 2.93Å; F17-R20 VanDerWaalsContact O-N 3.07Å; F17-L27 HydrophobicContact CD2-CD2 4.45Å; F17-F177 HydrophobicContact CB-CE2 4.46Å; F17-F177 HydrophobicContact CB-CZ 3.97Å; F17-F177 AromaticContact CD2-CE2 3.36Å; F17-F177 HydrophobicContact CD2-CE2 3.36Å; F17-F177 AromaticContact CD2-CZ 3.25Å; F17-F177 HydrophobicContact CD2-CZ 3.25Å; F17-F177 AromaticContact CE2-CE2 3.61Å; F17-F177 HydrophobicContact CE2-CE2 3.61Å; F17-F177 AromaticContact CE2-CZ 3.93Å; F17-F177 HydrophobicContact CE2-CZ 3.93Å; F17-F177 AromaticContact CG-CE2 3.95Å; F17-F177 HydrophobicContact CG-CE2 3.95Å; F17-F177 AromaticContact CG-CZ 3.85Å; F17-F177 HydrophobicContact CG-CZ 3.85Å; F17-F177 HydrophobicContact CZ-CE2 4.44Å; F17-F177 VanDerWaalsContact N-CZ 3.27Å; F17-D269 HydrophobicContact CE1-CB 4.26Å |
| 18 | S | 50.2 | Low | 58.8 | Low | 24 Ų | 24 | 75 Ų | 75 | 17% | 0.168 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -25.3 | -176.3 | 171.5 | 0 | 0 | 0 | 0 | 113.7 | L15 R20 K90 | L15-S18 WeakPolarHBondContact O-CA 3.3Å; L15-S18 WeakPolarHBondContact O-CB 3.18Å; L15-S18 PolarHBondContact O-N 3.21Å; S18-R20 VanDerWaalsContact C-N 3.27Å; S18-R20 PolarHBondContact O-N 2.96Å; S18-K90 WeakPolarHBondContact OG-CE 3.5Å; S18-K90 PolarHBondContact OG-NZ 2.89Å |
| 19 | D | 55 | Low | 60.9 | Low | 139 Ų | 139 | 75.2 Ų | 75.2 | 74% | 0.743 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -6.1 | -177.4 | -61.6 | -20.9 | 0 | 0 | 0 | 113.5 | F17 | F17-D19 PolarHBondContact O-N 3.19Š|
| 20 | R | 61.9 | Low | 62.7 | Low | 120 Ų | 120 | 75.1 Ų | 75.1 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | trans | -126.1 | 86.9 | 179.8 | -62.6 | -174.3 | -168.2 | -124.5 | 7.8 | 111.1 | F17 S18 W22 L23 | F17-R20 PolarHBondContact O-N 2.93Å; F17-R20 VanDerWaalsContact O-N 3.07Å; S18-R20 VanDerWaalsContact C-N 3.27Å; S18-R20 PolarHBondContact O-N 2.96Å; R20-W22 PolarHBondContact O-N 3.31Å; R20-L23 HydrophobicContact CB-CB 4.37Å; R20-L23 HydrophobicContact CB-CD1 3.65Å; R20-L23 VanDerWaalsContact CD-CD1 3.44Å; R20-L23 HydrophobicContact CG-CD1 4.19Å; R20-L23 PolarHBondContact O-N 3.02Å | ||
| 21 | A | 65 | Low | 64.2 | Low | 73 Ų | 73 | 66.8 Ų | 66.8 | 60% | 0.603 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -51.5 | -30.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L23 Q24 | A21-L23 VanDerWaalsContact C-N 3.31Å; A21-L23 PolarHBondContact O-N 3.41Å; A21-Q24 PolarHBondContact O-N 2.89Å |
| 22 | W | 69.9 | Low | 66.3 | Low | 175 Ų | 175 | 64.2 Ų | 64.2 | 66% | 0.663 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.4 | -21.3 | 178.8 | 66.3 | -92.9 | 0 | 0 | 0 | 114.5 | R20 P26 | R20-W22 PolarHBondContact O-N 3.31Å; W22-P26 VanDerWaalsContact O-CD 3.24Å; W22-P26 WeakPolarHBondContact O-CD 3.45Å |
| 23 | L | 67.7 | Low | 68.2 | Low | 43 Ų | 43 | 67.7 Ų | 67.7 | 23% | 0.225 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -87.3 | -19.1 | 178.6 | -90.8 | 137.4 | 0 | 0 | 0 | 113.4 | R20 A21 P26 L27 | R20-L23 HydrophobicContact CB-CB 4.37Å; R20-L23 HydrophobicContact CB-CD1 3.65Å; R20-L23 VanDerWaalsContact CD-CD1 3.44Å; R20-L23 HydrophobicContact CG-CD1 4.19Å; R20-L23 PolarHBondContact O-N 3.02Å; A21-L23 VanDerWaalsContact C-N 3.31Å; A21-L23 PolarHBondContact O-N 3.41Å; L23-P26 WeakPolarHBondContact O-CD 3.47Å; L23-L27 WeakPolarHBondContact O-CB 3.26Å; L23-L27 PolarHBondContact O-N 2.91Å |
| 24 | Q | 72.4 | Confident | 70.1 | Confident | 48 Ų | 48 | 65 Ų | 65 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.7 | -46.8 | -173.9 | -68.4 | -175 | -49.8 | 0 | 0 | 112.5 | A21 L27 F28 I85 | A21-Q24 PolarHBondContact O-N 2.89Å; Q24-L27 PolarHBondContact O-N 3.22Å; Q24-F28 WeakPolarHBondContact O-CB 3.41Å; Q24-F28 PolarHBondContact O-N 2.69Å; Q24-I85 HydrophobicContact CB-CG2 4.14Å |
| 25 | M | 77.8 | Confident | 71.8 | Confident | 142 Ų | 142 | 67.2 Ų | 67.2 | 70% | 0.7 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.3 | -48.2 | -179.3 | -73.3 | -62.8 | -178.3 | 0 | 0 | 113.1 | L27 F28 L29 | M25-L27 VanDerWaalsContact C-N 3.31Å; M25-L27 PolarHBondContact O-N 2.83Å; M25-F28 PolarHBondContact O-N 3.2Å; M25-L29 WeakPolarHBondContact O-CG 3.44Å; M25-L29 PolarHBondContact O-N 3.33Å; M25-L29 VanDerWaalsContact O-N 3.1Å |
| 26 | P | 78.4 | Confident | 73.8 | Confident | 68 Ų | 68 | 68 Ų | 68 | 44% | 0.442 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.6 | -43.6 | 172.4 | -26.5 | 34.2 | 0 | 0 | 0 | 113 | W22 L23 L29 V30 | W22-P26 VanDerWaalsContact O-CD 3.24Å; W22-P26 WeakPolarHBondContact O-CD 3.45Å; L23-P26 WeakPolarHBondContact O-CD 3.47Å; P26-L29 PolarHBondContact O-N 3Å; P26-V30 VanDerWaalsContact O-CG2 3.31Å; P26-V30 WeakPolarHBondContact O-CG2 3.22Å; P26-V30 PolarHBondContact O-N 3.19Å |
| 27 | L | 75.4 | Confident | 75.3 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.2 | -42.7 | -179.3 | -173.4 | 66.4 | 0 | 0 | 0 | 111.7 | F17 L23 Q24 M25 L29 V30 L31 I85 F177 L276 | F17-L27 HydrophobicContact CD2-CD2 4.45Å; L23-L27 WeakPolarHBondContact O-CB 3.26Å; L23-L27 PolarHBondContact O-N 2.91Å; Q24-L27 PolarHBondContact O-N 3.22Å; M25-L27 VanDerWaalsContact C-N 3.31Å; M25-L27 PolarHBondContact O-N 2.83Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 3.48Å; L27-V30 PolarHBondContact O-N 3.46Å; L27-L31 HydrophobicContact CD1-CD1 4.41Å; L27-L31 HydrophobicContact CD1-CG 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.96Å; L27-L31 HydrophobicContact CG-CG 4.33Å; L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 3.29Å; L27-I85 HydrophobicContact CD2-CD1 3.85Å; L27-I85 HydrophobicContact CG-CD1 4.09Å; L27-F177 HydrophobicContact CD2-CE1 3.7Å; L27-F177 HydrophobicContact CD2-CZ 3.84Å; L27-L276 HydrophobicContact CD1-CD1 4.14Å |
| 28 | F | 81.7 | Confident | 77.1 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 25% | 0.25 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.7 | -46.9 | 175 | -176.1 | -90 | 0 | 0 | 0 | 111.6 | Q24 M25 L31 L32 L82 I85 | Q24-F28 WeakPolarHBondContact O-CB 3.41Å; Q24-F28 PolarHBondContact O-N 2.69Å; M25-F28 PolarHBondContact O-N 3.2Å; F28-L31 PolarHBondContact O-N 3.22Å; F28-L32 HydrophobicContact CE1-CD2 4.24Å; F28-L32 VanDerWaalsContact O-CB 3.31Å; F28-L32 WeakPolarHBondContact O-CB 3.24Å; F28-L32 PolarHBondContact O-N 3.23Å; F28-L82 HydrophobicContact CD2-CD2 3.67Å; F28-L82 HydrophobicContact CE2-CB 4.19Å; F28-L82 HydrophobicContact CE2-CD2 3.72Å; F28-L82 HydrophobicContact CG-CD2 4.15Å; F28-L82 HydrophobicContact CZ-CD2 4.23Å; F28-I85 HydrophobicContact CB-CG2 4Å; F28-I85 HydrophobicContact CD2-CB 4.24Å; F28-I85 HydrophobicContact CD2-CG2 4.06Å; F28-I85 HydrophobicContact CG-CG2 4.5Å |
| 29 | L | 84.6 | Confident | 79.1 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 51% | 0.508 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 178.5 | -69.8 | 173.9 | 0 | 0 | 0 | 112 | M25 P26 L27 L31 L32 I33 | M25-L29 WeakPolarHBondContact O-CG 3.44Å; M25-L29 PolarHBondContact O-N 3.33Å; M25-L29 VanDerWaalsContact O-N 3.1Å; P26-L29 PolarHBondContact O-N 3Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 3.48Å; L29-L31 PolarHBondContact O-N 2.92Å; L29-L32 PolarHBondContact O-N 3.5Å; L29-I33 WeakPolarHBondContact O-CB 3.3Å; L29-I33 WeakPolarHBondContact O-CD1 3.15Å; L29-I33 VanDerWaalsContact O-CG1 3.22Å; L29-I33 WeakPolarHBondContact O-CG1 3.18Å; L29-I33 PolarHBondContact O-N 3.2Å |
| 30 | V | 83.2 | Confident | 80.8 | Confident | 78 Ų | 78 | 69.5 Ų | 69.5 | 47% | 0.473 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 178 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | P26 L27 I33 S34 | P26-V30 VanDerWaalsContact O-CG2 3.31Å; P26-V30 WeakPolarHBondContact O-CG2 3.22Å; P26-V30 PolarHBondContact O-N 3.19Å; L27-V30 PolarHBondContact O-N 3.46Å; V30-I33 PolarHBondContact O-N 3.03Å; V30-S34 WeakPolarHBondContact O-CB 3.21Å; V30-S34 PolarHBondContact O-N 3.22Å; V30-S34 PolarHBondContact O-OG 2.94Å |
| 31 | L | 82.4 | Confident | 82.1 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 178.2 | -72 | 174.6 | 0 | 0 | 0 | 112.5 | L27 F28 L29 S34 Y35 V78 M81 L82 I85 I280 | L27-L31 HydrophobicContact CD1-CD1 4.41Å; L27-L31 HydrophobicContact CD1-CG 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.96Å; L27-L31 HydrophobicContact CG-CG 4.33Å; L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 3.29Å; F28-L31 PolarHBondContact O-N 3.22Å; L29-L31 PolarHBondContact O-N 2.92Å; L31-S34 WeakPolarHBondContact CA-OG 3.49Å; L31-S34 PolarHBondContact O-OG 2.74Å; L31-Y35 WeakPolarHBondContact O-CB 3.49Å; L31-Y35 PolarHBondContact O-N 2.92Å; L31-V78 HydrophobicContact CB-CG1 4.1Å; L31-V78 HydrophobicContact CD2-CG1 4.37Å; L31-M81 HydrophobicContact CD1-CB 3.9Å; L31-M81 HydrophobicContact CD1-SD 4.09Å; L31-M81 HydrophobicContact CD2-SD 3.95Å; L31-L82 HydrophobicContact CB-CD2 3.73Å; L31-L82 HydrophobicContact CB-CG 4.31Å; L31-I85 HydrophobicContact CD1-CD1 3.69Å; L31-I280 HydrophobicContact CD2-CD1 3.41Å; L31-I280 VanDerWaalsContact CD2-CD1 3.41Å; L31-I280 HydrophobicContact CD2-CG2 4.33Å |
| 32 | L | 87 | Confident | 83.4 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 38% | 0.377 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.7 | -44.1 | 178.5 | -177.6 | 65.7 | 0 | 0 | 0 | 111.4 | F28 L29 T36 L82 | F28-L32 HydrophobicContact CE1-CD2 4.24Å; F28-L32 VanDerWaalsContact O-CB 3.31Å; F28-L32 WeakPolarHBondContact O-CB 3.24Å; F28-L32 PolarHBondContact O-N 3.23Å; L29-L32 PolarHBondContact O-N 3.5Å; L32-T36 WeakPolarHBondContact O-CB 3.5Å; L32-T36 PolarHBondContact O-N 3.32Å; L32-T36 PolarHBondContact O-OG1 3.34Å; L32-L82 HydrophobicContact CB-CD2 4.19Å; L32-L82 HydrophobicContact CD1-CD1 4.17Å |
| 33 | I | 87.6 | Confident | 84.5 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 177.5 | -69.1 | 166.8 | 0 | 0 | 0 | 110 | L29 V30 T36 I37 | L29-I33 WeakPolarHBondContact O-CB 3.3Å; L29-I33 WeakPolarHBondContact O-CD1 3.15Å; L29-I33 VanDerWaalsContact O-CG1 3.22Å; L29-I33 WeakPolarHBondContact O-CG1 3.18Å; L29-I33 PolarHBondContact O-N 3.2Å; V30-I33 PolarHBondContact O-N 3.03Å; I33-T36 PolarHBondContact O-N 3.36Å; I33-I37 HydrophobicContact CG2-CD1 3.66Å; I33-I37 HydrophobicContact CG2-CG1 4.39Å; I33-I37 WeakPolarHBondContact O-CG1 3.19Å; I33-I37 PolarHBondContact O-N 3.34Å |
| 34 | S | 85.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 179 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | V30 L31 T36 I37 T38 I280 M284 | V30-S34 WeakPolarHBondContact O-CB 3.21Å; V30-S34 PolarHBondContact O-N 3.22Å; V30-S34 PolarHBondContact O-OG 2.94Å; L31-S34 WeakPolarHBondContact CA-OG 3.49Å; L31-S34 PolarHBondContact O-OG 2.74Å; S34-T36 VanDerWaalsContact C-N 3.32Å; S34-T36 PolarHBondContact O-N 3.36Å; S34-I37 PolarHBondContact O-N 3.09Å; S34-T38 WeakPolarHBondContact O-CB 3.43Å; S34-T38 PolarHBondContact O-N 2.91Å; S34-T38 PolarHBondContact O-OG1 3.2Å; S34-I280 VanDerWaalsContact OG-CG2 3.27Å; S34-I280 WeakPolarHBondContact OG-CG2 3.37Å; S34-M284 VanDerWaalsContact CB-SD 3.58Å |
| 35 | Y | 87.9 | Confident | 86.4 | Confident | 62 Ų | 62 | 53.3 Ų | 53.3 | 24% | 0.243 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53.6 | -50.5 | 174.9 | -177.2 | -105.7 | 0 | 0 | 0 | 111.6 | L31 I37 T38 I39 T74 V78 P79 | L31-Y35 WeakPolarHBondContact O-CB 3.49Å; L31-Y35 PolarHBondContact O-N 2.92Å; Y35-I37 PolarHBondContact O-N 2.98Å; Y35-T38 PolarHBondContact O-N 3.1Å; Y35-I39 HydrophobicContact CD1-CG1 4.31Å; Y35-I39 HydrophobicContact CD2-CG1 4.24Å; Y35-I39 HydrophobicContact CE1-CG1 3.95Å; Y35-I39 HydrophobicContact CE2-CD1 3.97Å; Y35-I39 HydrophobicContact CE2-CG1 3.84Å; Y35-I39 HydrophobicContact CG-CG1 4.43Å; Y35-I39 WeakPolarHBondContact O-CB 3.47Å; Y35-I39 VanDerWaalsContact O-CG1 3.28Å; Y35-I39 WeakPolarHBondContact O-CG1 3.36Å; Y35-I39 PolarHBondContact O-N 3.22Å; Y35-T74 HydrophobicContact CD2-CG2 3.45Å; Y35-T74 VanDerWaalsContact CD2-CG2 3.45Å; Y35-T74 HydrophobicContact CE2-CG2 4.02Å; Y35-T74 HydrophobicContact CG-CG2 4.39Å; Y35-V78 HydrophobicContact CD2-CB 3.94Å; Y35-V78 HydrophobicContact CD2-CG1 4.12Å; Y35-V78 HydrophobicContact CG-CG1 4.28Å; Y35-P79 HydrophobicContact CE2-CG 3.88Å |
| 36 | T | 89.3 | Confident | 87 | Confident | 59 Ų | 59 | 48.4 Ų | 48.4 | 36% | 0.362 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -50.9 | -179.6 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | L32 I33 S34 T38 I39 F40 | L32-T36 WeakPolarHBondContact O-CB 3.5Å; L32-T36 PolarHBondContact O-N 3.32Å; L32-T36 PolarHBondContact O-OG1 3.34Å; I33-T36 PolarHBondContact O-N 3.36Å; S34-T36 VanDerWaalsContact C-N 3.32Å; S34-T36 PolarHBondContact O-N 3.36Å; T36-T38 VanDerWaalsContact C-N 3.34Å; T36-T38 PolarHBondContact O-N 3.35Å; T36-I39 PolarHBondContact O-N 2.81Å; T36-F40 HydrophobicContact CG2-CD2 3.58Å; T36-F40 HydrophobicContact CG2-CE2 3.71Å; T36-F40 WeakPolarHBondContact O-CB 3.35Å; T36-F40 WeakPolarHBondContact O-CD2 3.17Å; T36-F40 PolarHBondContact O-N 3.17Å |
| 37 | I | 88.7 | Confident | 87.5 | Confident | 58 Ų | 58 | 48.9 Ų | 48.9 | 30% | 0.297 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 179.5 | -68.6 | 170.4 | 0 | 0 | 0 | 111 | I33 S34 Y35 G41 M284 L288 | I33-I37 HydrophobicContact CG2-CD1 3.66Å; I33-I37 HydrophobicContact CG2-CG1 4.39Å; I33-I37 WeakPolarHBondContact O-CG1 3.19Å; I33-I37 PolarHBondContact O-N 3.34Å; S34-I37 PolarHBondContact O-N 3.09Å; Y35-I37 PolarHBondContact O-N 2.98Å; I37-G41 WeakPolarHBondContact O-CA 3.2Å; I37-G41 PolarHBondContact O-N 3.35Å; I37-M284 HydrophobicContact CB-CG 3.99Å; I37-M284 HydrophobicContact CD1-SD 4.38Å; I37-M284 HydrophobicContact CG2-CG 3.76Å; I37-L288 HydrophobicContact CG2-CD1 4.43Å; I37-L288 HydrophobicContact CG2-CG 4.5Å |
| 38 | T | 88.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -46.4 | -178.9 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | S34 Y35 T36 N42 D70 T74 P283 M284 | S34-T38 WeakPolarHBondContact O-CB 3.43Å; S34-T38 PolarHBondContact O-N 2.91Å; S34-T38 PolarHBondContact O-OG1 3.2Å; Y35-T38 PolarHBondContact O-N 3.1Å; T36-T38 VanDerWaalsContact C-N 3.34Å; T36-T38 PolarHBondContact O-N 3.35Å; T38-N42 WeakPolarHBondContact CG2-ND2 3.29Å; T38-N42 VanDerWaalsContact O-CB 3.29Å; T38-N42 WeakPolarHBondContact O-CB 3.41Å; T38-N42 PolarHBondContact O-N 3.03Å; T38-N42 PolarHBondContact O-ND2 3Å; T38-N42 VanDerWaalsContact O-ND2 3.13Å; T38-D70 HydrophobicContact CG2-CB 4.35Å; T38-T74 HydrophobicContact CG2-CG2 4.17Å; T38-T74 WeakPolarHBondContact CG2-OG1 3.42Å; T38-P283 HydrophobicContact CG2-CB 4.11Å; T38-M284 VanDerWaalsContact OG1-CA 3.22Å; T38-M284 WeakPolarHBondContact OG1-CA 3.19Å; T38-M284 WeakPolarHBondContact OG1-CB 3.14Å |
| 39 | I | 91.6 | Very high | 88.4 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 20% | 0.195 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62 | -57.6 | 178.9 | -65.8 | -61.4 | 0 | 0 | 0 | 110.3 | Y35 T36 G41 V43 L71 | Y35-I39 HydrophobicContact CD1-CG1 4.31Å; Y35-I39 HydrophobicContact CD2-CG1 4.24Å; Y35-I39 HydrophobicContact CE1-CG1 3.95Å; Y35-I39 HydrophobicContact CE2-CD1 3.97Å; Y35-I39 HydrophobicContact CE2-CG1 3.84Å; Y35-I39 HydrophobicContact CG-CG1 4.43Å; Y35-I39 WeakPolarHBondContact O-CB 3.47Å; Y35-I39 VanDerWaalsContact O-CG1 3.28Å; Y35-I39 WeakPolarHBondContact O-CG1 3.36Å; Y35-I39 PolarHBondContact O-N 3.22Å; T36-I39 PolarHBondContact O-N 2.81Å; I39-G41 VanDerWaalsContact C-N 3.35Å; I39-G41 PolarHBondContact O-N 3.01Å; I39-V43 HydrophobicContact CG2-CG2 4.49Å; I39-V43 VanDerWaalsContact O-CB 3.32Å; I39-V43 WeakPolarHBondContact O-CB 3.28Å; I39-V43 WeakPolarHBondContact O-CG2 3.41Å; I39-V43 PolarHBondContact O-N 2.77Å; I39-L71 HydrophobicContact CB-CD2 4.44Å; I39-L71 HydrophobicContact CD1-CD2 3.58Å |
| 40 | F | 90.5 | Very high | 88.6 | Confident | 140 Ų | 140 | 45.5 Ų | 45.5 | 61% | 0.614 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.6 | -40.3 | -176.8 | -76.8 | -71 | 0 | 0 | 0 | 112 | T36 S44 | T36-F40 HydrophobicContact CG2-CD2 3.58Å; T36-F40 HydrophobicContact CG2-CE2 3.71Å; T36-F40 WeakPolarHBondContact O-CB 3.35Å; T36-F40 WeakPolarHBondContact O-CD2 3.17Å; T36-F40 PolarHBondContact O-N 3.17Å; F40-S44 WeakPolarHBondContact O-CB 3.23Å; F40-S44 PolarHBondContact O-N 2.94Å; F40-S44 PolarHBondContact O-OG 2.87Å |
| 41 | G | 90.2 | Very high | 88.8 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 19% | 0.186 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -52 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I37 I39 S44 I45 | I37-G41 WeakPolarHBondContact O-CA 3.2Å; I37-G41 PolarHBondContact O-N 3.35Å; I39-G41 VanDerWaalsContact C-N 3.35Å; I39-G41 PolarHBondContact O-N 3.01Å; G41-S44 PolarHBondContact O-N 3.28Å; G41-I45 WeakPolarHBondContact O-CG1 3.43Å; G41-I45 PolarHBondContact O-N 3.36Å |
| 42 | N | 92.1 | Very high | 89 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.2 | -39.9 | -178.4 | -80 | -60.6 | 0 | 0 | 0 | 112.7 | T38 S44 I45 M46 S67 D70 L71 P287 | T38-N42 WeakPolarHBondContact CG2-ND2 3.29Å; T38-N42 VanDerWaalsContact O-CB 3.29Å; T38-N42 WeakPolarHBondContact O-CB 3.41Å; T38-N42 PolarHBondContact O-N 3.03Å; T38-N42 PolarHBondContact O-ND2 3Å; T38-N42 VanDerWaalsContact O-ND2 3.13Å; N42-S44 VanDerWaalsContact C-N 3.3Å; N42-S44 PolarHBondContact O-N 3.43Å; N42-I45 PolarHBondContact O-N 3.13Å; N42-M46 VanDerWaalsContact O-CG 3.32Å; N42-M46 WeakPolarHBondContact O-CG 3.49Å; N42-M46 PolarHBondContact O-N 2.97Å; N42-S67 VanDerWaalsContact OD1-CA 3.27Å; N42-S67 WeakPolarHBondContact OD1-CA 3.46Å; N42-S67 VanDerWaalsContact OD1-CB 3.26Å; N42-S67 WeakPolarHBondContact OD1-CB 3.21Å; N42-S67 PolarHBondContact OD1-OG 3.43Å; N42-D70 WeakPolarHBondContact ND2-CB 3.45Å; N42-L71 HydrophobicContact CB-CD1 4.34Å; N42-L71 HydrophobicContact CB-CD2 3.88Å; N42-L71 HydrophobicContact CB-CG 3.85Å; N42-P287 HydrophobicContact CB-CG 4.47Å; N42-P287 VanDerWaalsContact ND2-CG 3.29Å; N42-P287 WeakPolarHBondContact ND2-CG 3.22Å |
| 43 | V | 91.8 | Very high | 88.9 | Confident | 64 Ų | 64 | 47 Ų | 47 | 39% | 0.388 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 172.9 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | I39 I45 M46 M47 L71 | I39-V43 HydrophobicContact CG2-CG2 4.49Å; I39-V43 VanDerWaalsContact O-CB 3.32Å; I39-V43 WeakPolarHBondContact O-CB 3.28Å; I39-V43 WeakPolarHBondContact O-CG2 3.41Å; I39-V43 PolarHBondContact O-N 2.77Å; V43-I45 PolarHBondContact O-N 2.92Å; V43-M46 PolarHBondContact O-N 3.32Å; V43-M47 HydrophobicContact CG1-CG 4.33Å; V43-M47 WeakPolarHBondContact O-CB 3.47Å; V43-M47 VanDerWaalsContact O-CG 3.29Å; V43-M47 WeakPolarHBondContact O-CG 3.44Å; V43-M47 PolarHBondContact O-N 3.47Å; V43-L71 HydrophobicContact CG2-CD1 4.12Å; V43-L71 HydrophobicContact CG2-CD2 4.2Å |
| 44 | S | 89.8 | Confident | 88.8 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 178.8 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | F40 G41 N42 M47 V48 | F40-S44 WeakPolarHBondContact O-CB 3.23Å; F40-S44 PolarHBondContact O-N 2.94Å; F40-S44 PolarHBondContact O-OG 2.87Å; G41-S44 PolarHBondContact O-N 3.28Å; N42-S44 VanDerWaalsContact C-N 3.3Å; N42-S44 PolarHBondContact O-N 3.43Å; S44-M47 PolarHBondContact O-N 3.43Å; S44-V48 WeakPolarHBondContact O-CB 3.32Å; S44-V48 VanDerWaalsContact O-CG2 3.28Å; S44-V48 WeakPolarHBondContact O-CG2 3.33Å; S44-V48 PolarHBondContact O-N 3Å |
| 45 | I | 90.2 | Very high | 88.8 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 174.1 | -74.2 | 172.9 | 0 | 0 | 0 | 110.7 | G41 N42 V43 M47 V48 C49 L63 P287 M297 F301 | G41-I45 WeakPolarHBondContact O-CG1 3.43Å; G41-I45 PolarHBondContact O-N 3.36Å; N42-I45 PolarHBondContact O-N 3.13Å; V43-I45 PolarHBondContact O-N 2.92Å; I45-M47 VanDerWaalsContact C-N 3.34Å; I45-M47 PolarHBondContact O-N 2.98Å; I45-V48 PolarHBondContact O-N 3.45Å; I45-C49 WeakPolarHBondContact O-CB 3.42Å; I45-C49 PolarHBondContact O-N 3.31Å; I45-C49 PolarHBondContact O-SG 2.88Å; I45-L63 HydrophobicContact CG2-CD2 3.78Å; I45-L63 HydrophobicContact CG2-CG 3.94Å; I45-P287 VanDerWaalsContact CD1-CA 3.45Å; I45-P287 HydrophobicContact CD1-CB 3.71Å; I45-P287 HydrophobicContact CD1-CG 4.34Å; I45-M297 HydrophobicContact CG2-CE 4.16Å; I45-F301 HydrophobicContact CG1-CZ 4.28Å |
| 46 | M | 90.9 | Very high | 88.6 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 20% | 0.197 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 177.9 | -68.3 | 176.8 | 62.6 | 0 | 0 | 111.1 | N42 V43 V48 C49 I50 T64 I68 L71 | N42-M46 VanDerWaalsContact O-CG 3.32Å; N42-M46 WeakPolarHBondContact O-CG 3.49Å; N42-M46 PolarHBondContact O-N 2.97Å; V43-M46 PolarHBondContact O-N 3.32Å; M46-V48 PolarHBondContact O-N 3.42Å; M46-C49 PolarHBondContact O-N 3.33Å; M46-I50 WeakPolarHBondContact O-CB 3.48Å; M46-I50 WeakPolarHBondContact O-CD1 3.11Å; M46-I50 WeakPolarHBondContact O-CG1 3.46Å; M46-I50 PolarHBondContact O-N 3.42Å; M46-T64 HydrophobicContact CE-CG2 4.47Å; M46-T64 HydrophobicContact CG-CG2 4.15Å; M46-I68 HydrophobicContact CE-CD1 4.07Å; M46-I68 HydrophobicContact CE-CG1 3.59Å; M46-I68 HydrophobicContact SD-CG1 3.88Å; M46-L71 HydrophobicContact SD-CD1 3.77Å |
| 47 | M | 88.3 | Confident | 88.5 | Confident | 78 Ų | 78 | 52.2 Ų | 52.2 | 38% | 0.384 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 178.7 | -74 | -61.4 | -70.6 | 0 | 0 | 112.1 | V43 S44 I45 I50 L51 I308 | V43-M47 HydrophobicContact CG1-CG 4.33Å; V43-M47 WeakPolarHBondContact O-CB 3.47Å; V43-M47 VanDerWaalsContact O-CG 3.29Å; V43-M47 WeakPolarHBondContact O-CG 3.44Å; V43-M47 PolarHBondContact O-N 3.47Å; S44-M47 PolarHBondContact O-N 3.43Å; I45-M47 VanDerWaalsContact C-N 3.34Å; I45-M47 PolarHBondContact O-N 2.98Å; M47-I50 PolarHBondContact O-N 3.43Å; M47-L51 HydrophobicContact CE-CD1 3.83Å; M47-L51 VanDerWaalsContact O-CB 3.26Å; M47-L51 WeakPolarHBondContact O-CB 3.39Å; M47-L51 WeakPolarHBondContact O-CG 3.41Å; M47-L51 PolarHBondContact O-N 3.32Å; M47-I308 HydrophobicContact CE-CD1 4.44Å |
| 48 | V | 88.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 179.5 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | S44 I45 M46 I50 L51 D52 L55 M297 A300 F301 V304 | S44-V48 WeakPolarHBondContact O-CB 3.32Å; S44-V48 VanDerWaalsContact O-CG2 3.28Å; S44-V48 WeakPolarHBondContact O-CG2 3.33Å; S44-V48 PolarHBondContact O-N 3Å; I45-V48 PolarHBondContact O-N 3.45Å; M46-V48 PolarHBondContact O-N 3.42Å; V48-I50 VanDerWaalsContact C-N 3.32Å; V48-I50 PolarHBondContact O-N 2.94Å; V48-L51 PolarHBondContact O-N 3.01Å; V48-D52 WeakPolarHBondContact O-CB 3.38Å; V48-D52 PolarHBondContact O-N 2.77Å; V48-L55 HydrophobicContact CG1-CD1 3.54Å; V48-M297 HydrophobicContact CB-SD 4.49Å; V48-M297 HydrophobicContact CG1-SD 3.85Å; V48-A300 HydrophobicContact CG1-CB 3.49Å; V48-A300 VanDerWaalsContact CG1-CB 3.49Å; V48-F301 HydrophobicContact CG2-CD1 3.74Å; V48-F301 HydrophobicContact CG2-CE1 3.67Å; V48-F301 HydrophobicContact CG2-CG 4.23Å; V48-F301 HydrophobicContact CG2-CZ 4.09Å; V48-V304 HydrophobicContact CG2-CB 4.27Å; V48-V304 HydrophobicContact CG2-CG1 4.21Å |
| 49 | C | 88.6 | Confident | 88.7 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 174.4 | -72.2 | 0 | 0 | 0 | 0 | 112.6 | I45 M46 H56 | I45-C49 WeakPolarHBondContact O-CB 3.42Å; I45-C49 PolarHBondContact O-N 3.31Å; I45-C49 PolarHBondContact O-SG 2.88Å; M46-C49 PolarHBondContact O-N 3.33Å; C49-H56 PolarHBondContact O-CD2 2.96Å; C49-H56 PolarHBondContact O-NE2 3.24Å |
| 50 | I | 87.2 | Confident | 88.6 | Confident | 101 Ų | 101 | 49.3 Ų | 49.3 | 52% | 0.518 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -73.3 | -45.8 | 178.7 | -68 | 163.9 | 0 | 0 | 0 | 110.6 | M46 M47 V48 H56 | M46-I50 WeakPolarHBondContact O-CB 3.48Å; M46-I50 WeakPolarHBondContact O-CD1 3.11Å; M46-I50 WeakPolarHBondContact O-CG1 3.46Å; M46-I50 PolarHBondContact O-N 3.42Å; M47-I50 PolarHBondContact O-N 3.43Å; V48-I50 VanDerWaalsContact C-N 3.32Å; V48-I50 PolarHBondContact O-N 2.94Å; I50-H56 PolarHBondContact O-NE2 3.45Å |
| 51 | L | 87.3 | Confident | 88.7 | Confident | 81 Ų | 81 | 45.4 Ų | 45.4 | 42% | 0.424 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -85.1 | -19.7 | -169.7 | -66.6 | 174.2 | 0 | 0 | 0 | 115.1 | M47 V48 P53 V304 I308 | M47-L51 HydrophobicContact CE-CD1 3.83Å; M47-L51 VanDerWaalsContact O-CB 3.26Å; M47-L51 WeakPolarHBondContact O-CB 3.39Å; M47-L51 WeakPolarHBondContact O-CG 3.41Å; M47-L51 PolarHBondContact O-N 3.32Å; V48-L51 PolarHBondContact O-N 3.01Å; L51-P53 WeakPolarHBondContact O-CD 3.33Å; L51-V304 HydrophobicContact CB-CG1 3.86Å; L51-V304 HydrophobicContact CB-CG2 4.34Å; L51-V304 HydrophobicContact CD1-CG1 3.69Å; L51-V304 HydrophobicContact CG-CG1 4.45Å; L51-I308 HydrophobicContact CD1-CD1 3.73Å; L51-I308 HydrophobicContact CD1-CG1 4.02Å |
| 52 | D | 88.1 | Confident | 88.9 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | trans | -103.4 | 106.1 | 176.3 | -164.2 | -26.2 | 0 | 0 | 0 | 111.2 | V48 K54 L55 A300 R303 V304 | V48-D52 WeakPolarHBondContact O-CB 3.38Å; V48-D52 PolarHBondContact O-N 2.77Å; D52-K54 PolarHBondContact O-N 2.96Å; D52-K54 VanDerWaalsContact OD1-CB 3.24Å; D52-K54 WeakPolarHBondContact OD1-CB 3.05Å; D52-K54 PolarHBondContact OD1-N 3.25Å; D52-L55 HydrophobicContact CB-CD1 4.25Å; D52-L55 HydrophobicContact CB-CG 4.16Å; D52-L55 WeakPolarHBondContact O-CB 3.3Å; D52-L55 PolarHBondContact O-N 2.91Å; D52-A300 HydrophobicContact CB-CB 4.24Å; D52-A300 WeakPolarHBondContact OD2-CA 3.45Å; D52-A300 VanDerWaalsContact OD2-CB 3.3Å; D52-A300 WeakPolarHBondContact OD2-CB 3.47Å; D52-R303 IonicContact OD1-NH2 3.16Å; D52-R303 IonicContact OD2-CZ 2.77Å; D52-R303 IonicContact OD2-NE 2.84Å; D52-R303 PolarHBondContact OD2-NE 3.46Å; D52-R303 IonicContact OD2-NH2 2.89Å; D52-R303 PolarHBondContact OD2-NH2 3.37Å; D52-V304 HydrophobicContact CB-CG2 3.9Å | ||
| 53 | P | 85 | Confident | 88.9 | Confident | 95 Ų | 95 | 44.7 Ų | 44.7 | 62% | 0.617 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -58.4 | -23.6 | 177.3 | -24.2 | 34 | 0 | 0 | 0 | 113.8 | L51 L55 H56 | L51-P53 WeakPolarHBondContact O-CD 3.33Å; P53-L55 PolarHBondContact O-N 3.02Å; P53-H56 WeakPolarHBondContact O-CB 3.31Å; P53-H56 PolarHBondContact O-N 3.31Å; P53-H56 VanDerWaalsContact O-N 3.11Å |
| 54 | K | 84.9 | Confident | 88.9 | Confident | 154 Ų | 154 | 42.8 Ų | 42.8 | 67% | 0.67 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -69.5 | -16.4 | 176.9 | -60.6 | -175 | 176.5 | -174.6 | 0 | 112.6 | D52 | D52-K54 PolarHBondContact O-N 2.96Å; D52-K54 VanDerWaalsContact OD1-CB 3.24Å; D52-K54 WeakPolarHBondContact OD1-CB 3.05Å; D52-K54 PolarHBondContact OD1-N 3.25Å |
| 55 | L | 84.2 | Confident | 89.1 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -96.3 | 4.5 | 174 | -61.6 | -176.5 | 0 | 0 | 0 | 112.8 | V48 D52 P53 T57 Y60 D296 M297 A300 | V48-L55 HydrophobicContact CG1-CD1 3.54Å; D52-L55 HydrophobicContact CB-CD1 4.25Å; D52-L55 HydrophobicContact CB-CG 4.16Å; D52-L55 WeakPolarHBondContact O-CB 3.3Å; D52-L55 PolarHBondContact O-N 2.91Å; P53-L55 PolarHBondContact O-N 3.02Å; L55-T57 PolarHBondContact O-N 3.15Å; L55-Y60 HydrophobicContact CB-CD2 3.83Å; L55-Y60 HydrophobicContact CB-CE2 4.29Å; L55-Y60 HydrophobicContact CB-CG 4.14Å; L55-Y60 HydrophobicContact CD2-CD2 3.82Å; L55-Y60 HydrophobicContact CD2-CE1 4.15Å; L55-Y60 HydrophobicContact CD2-CE2 3.37Å; L55-Y60 HydrophobicContact CD2-CG 4.4Å; L55-Y60 HydrophobicContact CG-CD2 4.38Å; L55-Y60 HydrophobicContact CG-CE2 4.39Å; L55-Y60 WeakPolarHBondContact O-CB 3.46Å; L55-Y60 WeakPolarHBondContact O-CD2 3.47Å; L55-D296 HydrophobicContact CD2-CB 4.4Å; L55-M297 HydrophobicContact CD1-CE 4.3Å; L55-M297 HydrophobicContact CD1-SD 4.06Å; L55-A300 HydrophobicContact CD1-CB 3.39Å; L55-A300 HydrophobicContact CD2-CB 4.15Å; L55-A300 HydrophobicContact CG-CB 3.84Å |
| 56 | H | 85.1 | Confident | 89.2 | Confident | 123 Ų | 123 | 42.1 Ų | 42.1 | 57% | 0.569 | 22% | 0.216 | S | C | * | . | trans | -75.4 | 60.1 | 175.5 | -66.3 | -179.7 | 0 | 0 | 0 | 111.3 | C49 I50 P53 | C49-H56 PolarHBondContact O-CD2 2.96Å; C49-H56 PolarHBondContact O-NE2 3.24Å; I50-H56 PolarHBondContact O-NE2 3.45Å; P53-H56 WeakPolarHBondContact O-CB 3.31Å; P53-H56 PolarHBondContact O-N 3.31Å; P53-H56 VanDerWaalsContact O-N 3.11Å | ||
| 57 | T | 87.5 | Confident | 89.3 | Confident | 50 Ų | 50 | 40.2 Ų | 40.2 | 31% | 0.307 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -114.6 | 154.5 | 175.1 | 73.4 | 0 | 0 | 0 | 0 | 110.3 | L55 M59 Y60 F61 | L55-T57 PolarHBondContact O-N 3.15Å; T57-M59 VanDerWaalsContact C-N 3.26Å; T57-M59 PolarHBondContact O-N 3.17Å; T57-Y60 PolarHBondContact O-N 2.88Å; T57-Y60 WeakPolarHBondContact OG1-CD2 3.44Å; T57-F61 PolarHBondContact O-N 3.39Å; T57-F61 VanDerWaalsContact O-N 3.15Å |
| 58 | P | 90.7 | Very high | 89.5 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -46.5 | -43.9 | 177.8 | -34.9 | 38.6 | 0 | 0 | 0 | 114.8 | Y60 F61 F62 Y132 M136 C141 | P58-Y60 PolarHBondContact O-N 3.41Å; P58-F61 WeakPolarHBondContact O-CB 3.34Å; P58-F61 PolarHBondContact O-N 2.97Å; P58-F62 WeakPolarHBondContact O-CD2 3.32Å; P58-F62 PolarHBondContact O-N 2.65Å; P58-F62 VanDerWaalsContact O-N 3.11Å; P58-Y132 WeakPolarHBondContact CD-OH 3.24Å; P58-Y132 HydrophobicContact CG-CE1 4.5Å; P58-Y132 WeakPolarHBondContact CG-OH 3.27Å; P58-M136 HydrophobicContact CB-CB 4.19Å; P58-M136 HydrophobicContact CB-CE 3.78Å; P58-M136 HydrophobicContact CG-CB 3.82Å; P58-M136 WeakPolarHBondContact CG-O 3.31Å; P58-C141 VanDerWaalsContact CB-SG 3.55Å |
| 59 | M | 90.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.5 | -47.7 | 177.3 | -179 | 75.7 | 179.8 | 0 | 0 | 112.7 | T57 F61 F62 L63 M118 R122 Y290 | T57-M59 VanDerWaalsContact C-N 3.26Å; T57-M59 PolarHBondContact O-N 3.17Å; M59-F61 VanDerWaalsContact C-N 3.31Å; M59-F62 PolarHBondContact O-N 2.98Å; M59-L63 WeakPolarHBondContact O-CB 3.49Å; M59-L63 PolarHBondContact O-N 2.94Å; M59-M118 HydrophobicContact CE-CE 3.32Å; M59-M118 HydrophobicContact SD-CB 4.25Å; M59-M118 HydrophobicContact SD-CE 4.02Å; M59-M118 HydrophobicContact SD-CG 4.37Å; M59-R122 VanDerWaalsContact CG-CZ 3.47Å; M59-R122 VanDerWaalsContact CG-NH2 3.3Å; M59-R122 PolarHBondContact SD-NE 3.11Å; M59-R122 VanDerWaalsContact SD-NE 3.37Å; M59-Y290 HydrophobicContact CE-CE1 3.84Å |
| 60 | Y | 89.8 | Confident | 89.8 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -75.2 | -24.7 | -176 | -66.4 | -61.9 | 0 | 0 | 0 | 112.2 | L55 T57 P58 L63 T64 N294 D296 M297 | L55-Y60 HydrophobicContact CB-CD2 3.83Å; L55-Y60 HydrophobicContact CB-CE2 4.29Å; L55-Y60 HydrophobicContact CB-CG 4.14Å; L55-Y60 HydrophobicContact CD2-CD2 3.82Å; L55-Y60 HydrophobicContact CD2-CE1 4.15Å; L55-Y60 HydrophobicContact CD2-CE2 3.37Å; L55-Y60 HydrophobicContact CD2-CG 4.4Å; L55-Y60 HydrophobicContact CG-CD2 4.38Å; L55-Y60 HydrophobicContact CG-CE2 4.39Å; L55-Y60 WeakPolarHBondContact O-CB 3.46Å; L55-Y60 WeakPolarHBondContact O-CD2 3.47Å; T57-Y60 PolarHBondContact O-N 2.88Å; T57-Y60 WeakPolarHBondContact OG1-CD2 3.44Å; P58-Y60 PolarHBondContact O-N 3.41Å; Y60-L63 HydrophobicContact CD1-CD2 3.91Å; Y60-L63 HydrophobicContact CE1-CD2 4.34Å; Y60-L63 PolarHBondContact O-N 3.4Å; Y60-T64 WeakPolarHBondContact O-CB 3.49Å; Y60-T64 PolarHBondContact O-N 3.48Å; Y60-T64 PolarHBondContact O-OG1 3.41Å; Y60-N294 PolarHBondContact OH-ND2 3.37Å; Y60-N294 PolarHBondContact OH-OD1 2.94Å; Y60-D296 WeakPolarHBondContact OH-CB 3.45Å; Y60-M297 HydrophobicContact CD1-CE 3.75Å; Y60-M297 HydrophobicContact CE1-CE 3.66Å |
| 61 | F | 92.6 | Very high | 90 | Very high | 59 Ų | 59 | 35.9 Ų | 35.9 | 26% | 0.259 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62 | -46.9 | 166.8 | 170.5 | -95.1 | 0 | 0 | 0 | 111.6 | T57 P58 M59 T64 N65 C141 A145 | T57-F61 PolarHBondContact O-N 3.39Å; T57-F61 VanDerWaalsContact O-N 3.15Å; P58-F61 WeakPolarHBondContact O-CB 3.34Å; P58-F61 PolarHBondContact O-N 2.97Å; M59-F61 VanDerWaalsContact C-N 3.31Å; F61-T64 WeakPolarHBondContact O-CB 3.49Å; F61-T64 PolarHBondContact O-N 2.65Å; F61-N65 PolarHBondContact O-N 3.36Å; F61-N65 PolarHBondContact O-ND2 3.26Å; F61-C141 HydrophobicContact CD1-CB 3.8Å; F61-C141 HydrophobicContact CE1-CB 3.89Å; F61-C141 WeakPolarHBondContact CE1-O 3.35Å; F61-A145 HydrophobicContact CE1-CB 3.73Å; F61-A145 HydrophobicContact CZ-CB 4.03Å |
| 62 | F | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.3 | -37 | 174.8 | -65.4 | -62.6 | 0 | 0 | 0 | 112.4 | P58 M59 T64 N65 L66 L114 V117 M118 M136 C141 M144 A145 | P58-F62 WeakPolarHBondContact O-CD2 3.32Å; P58-F62 PolarHBondContact O-N 2.65Å; P58-F62 VanDerWaalsContact O-N 3.11Å; M59-F62 PolarHBondContact O-N 2.98Å; F62-T64 VanDerWaalsContact C-N 3.26Å; F62-T64 PolarHBondContact O-N 2.98Å; F62-N65 WeakPolarHBondContact O-CB 3.21Å; F62-N65 PolarHBondContact O-N 3Å; F62-N65 VanDerWaalsContact O-N 3.12Å; F62-L66 PolarHBondContact O-N 3.41Å; F62-L114 HydrophobicContact CD1-CD2 4Å; F62-V117 HydrophobicContact CD1-CG1 4.1Å; F62-V117 HydrophobicContact CD2-CG1 4.17Å; F62-V117 HydrophobicContact CE1-CB 4.48Å; F62-V117 HydrophobicContact CE1-CG1 3.53Å; F62-V117 HydrophobicContact CE2-CG1 3.62Å; F62-V117 HydrophobicContact CG-CG1 4.4Å; F62-V117 HydrophobicContact CZ-CG1 3.25Å; F62-M118 HydrophobicContact CB-CG 3.52Å; F62-M118 HydrophobicContact CB-SD 4.04Å; F62-M118 HydrophobicContact CG-CG 4.22Å; F62-M136 HydrophobicContact CE2-CE 3.8Å; F62-C141 HydrophobicContact CE2-CB 4.3Å; F62-C141 HydrophobicContact CZ-CB 3.92Å; F62-M144 HydrophobicContact CE1-CB 4.15Å; F62-M144 HydrophobicContact CZ-CB 4.13Å; F62-A145 HydrophobicContact CE1-CB 4.24Å |
| 63 | L | 91.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -37.2 | 173.9 | -174.1 | 63.7 | 0 | 0 | 0 | 111.7 | I45 M59 Y60 L66 S67 M118 Y290 M297 | I45-L63 HydrophobicContact CG2-CD2 3.78Å; I45-L63 HydrophobicContact CG2-CG 3.94Å; M59-L63 WeakPolarHBondContact O-CB 3.49Å; M59-L63 PolarHBondContact O-N 2.94Å; Y60-L63 HydrophobicContact CD1-CD2 3.91Å; Y60-L63 HydrophobicContact CE1-CD2 4.34Å; Y60-L63 PolarHBondContact O-N 3.4Å; L63-L66 HydrophobicContact CD1-CD2 4.34Å; L63-L66 PolarHBondContact O-N 3Å; L63-S67 PolarHBondContact O-N 3.27Å; L63-S67 PolarHBondContact O-OG 2.78Å; L63-M118 HydrophobicContact CB-CE 4.45Å; L63-M118 HydrophobicContact CD1-CE 4.3Å; L63-Y290 HydrophobicContact CD1-CD1 4.04Å; L63-Y290 HydrophobicContact CD1-CD2 3.34Å; L63-Y290 HydrophobicContact CD1-CE1 4.3Å; L63-Y290 HydrophobicContact CD1-CE2 3.63Å; L63-Y290 HydrophobicContact CD1-CG 3.58Å; L63-Y290 HydrophobicContact CD2-CG 4.27Å; L63-M297 HydrophobicContact CD2-CE 3.77Å |
| 64 | T | 92.3 | Very high | 89.9 | Confident | 25 Ų | 25 | 29.7 Ų | 29.7 | 15% | 0.153 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 175.1 | -58 | 0 | 0 | 0 | 0 | 111.2 | M46 Y60 F61 F62 S67 I68 | M46-T64 HydrophobicContact CE-CG2 4.47Å; M46-T64 HydrophobicContact CG-CG2 4.15Å; Y60-T64 WeakPolarHBondContact O-CB 3.49Å; Y60-T64 PolarHBondContact O-N 3.48Å; Y60-T64 PolarHBondContact O-OG1 3.41Å; F61-T64 WeakPolarHBondContact O-CB 3.49Å; F61-T64 PolarHBondContact O-N 2.65Å; F62-T64 VanDerWaalsContact C-N 3.26Å; F62-T64 PolarHBondContact O-N 2.98Å; T64-S67 PolarHBondContact O-N 2.87Å; T64-I68 HydrophobicContact CG2-CD1 4.41Å; T64-I68 WeakPolarHBondContact O-CG1 3.39Å; T64-I68 PolarHBondContact O-N 3.25Å |
| 65 | N | 94.7 | Very high | 90 | Very high | 21 Ų | 21 | 25.7 Ų | 25.7 | 11% | 0.112 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 173.3 | -78.8 | -93.9 | 0 | 0 | 0 | 111.8 | F61 F62 S67 I68 L69 L114 W149 | F61-N65 PolarHBondContact O-N 3.36Å; F61-N65 PolarHBondContact O-ND2 3.26Å; F62-N65 WeakPolarHBondContact O-CB 3.21Å; F62-N65 PolarHBondContact O-N 3Å; F62-N65 VanDerWaalsContact O-N 3.12Å; N65-S67 VanDerWaalsContact C-N 3.33Å; N65-S67 PolarHBondContact O-N 3.49Å; N65-I68 PolarHBondContact O-N 3.39Å; N65-L69 WeakPolarHBondContact O-CB 3.32Å; N65-L69 PolarHBondContact O-N 3Å; N65-L114 HydrophobicContact CB-CD1 3.98Å; N65-L114 HydrophobicContact CB-CD2 4.24Å; N65-W149 PolarHBondContact OD1-NE1 3Å |
| 66 | L | 92.1 | Very high | 90 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.3 | -172.5 | 65.5 | 0 | 0 | 0 | 111.4 | F62 L63 L69 D70 E111 L115 M118 Y290 | F62-L66 PolarHBondContact O-N 3.41Å; L63-L66 HydrophobicContact CD1-CD2 4.34Å; L63-L66 PolarHBondContact O-N 3Å; L66-L69 WeakPolarHBondContact O-CB 3.21Å; L66-L69 PolarHBondContact O-N 3.49Å; L66-D70 PolarHBondContact O-N 3.07Å; L66-E111 HydrophobicContact CD1-CG 3.8Å; L66-L115 HydrophobicContact CD2-CD2 4.35Å; L66-M118 HydrophobicContact CD2-CE 4.46Å; L66-M118 HydrophobicContact CD2-SD 4.33Å; L66-Y290 HydrophobicContact CD2-CE2 3.9Å |
| 67 | S | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.2 | -40.6 | 174.7 | -71.9 | 0 | 0 | 0 | 0 | 112.9 | N42 L63 T64 N65 L69 D70 L71 | N42-S67 VanDerWaalsContact OD1-CA 3.27Å; N42-S67 WeakPolarHBondContact OD1-CA 3.46Å; N42-S67 VanDerWaalsContact OD1-CB 3.26Å; N42-S67 WeakPolarHBondContact OD1-CB 3.21Å; N42-S67 PolarHBondContact OD1-OG 3.43Å; L63-S67 PolarHBondContact O-N 3.27Å; L63-S67 PolarHBondContact O-OG 2.78Å; T64-S67 PolarHBondContact O-N 2.87Å; N65-S67 VanDerWaalsContact C-N 3.33Å; N65-S67 PolarHBondContact O-N 3.49Å; S67-L69 VanDerWaalsContact C-N 3.3Å; S67-L69 PolarHBondContact O-N 2.69Å; S67-D70 PolarHBondContact O-N 3.36Å; S67-L71 WeakPolarHBondContact O-CG 3.32Å; S67-L71 PolarHBondContact O-N 3.49Å |
| 68 | I | 92.8 | Very high | 89.3 | Confident | 65 Ų | 65 | 19.3 Ų | 19.3 | 33% | 0.333 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -61 | -44 | 173.5 | -68.9 | 164.5 | 0 | 0 | 0 | 110.2 | M46 T64 N65 L71 C72 W149 | M46-I68 HydrophobicContact CE-CD1 4.07Å; M46-I68 HydrophobicContact CE-CG1 3.59Å; M46-I68 HydrophobicContact SD-CG1 3.88Å; T64-I68 HydrophobicContact CG2-CD1 4.41Å; T64-I68 WeakPolarHBondContact O-CG1 3.39Å; T64-I68 PolarHBondContact O-N 3.25Å; N65-I68 PolarHBondContact O-N 3.39Å; I68-L71 PolarHBondContact O-N 2.97Å; I68-C72 PolarHBondContact O-N 3.49Å; I68-C72 PolarHBondContact O-SG 2.83Å; I68-W149 HydrophobicContact CG2-CZ2 4.4Å |
| 69 | L | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.5 | -51.4 | 177.3 | -170.8 | 163.3 | 0 | 0 | 0 | 111 | N65 L66 S67 L71 C72 Y73 L107 T110 E111 L114 W149 | N65-L69 WeakPolarHBondContact O-CB 3.32Å; N65-L69 PolarHBondContact O-N 3Å; L66-L69 WeakPolarHBondContact O-CB 3.21Å; L66-L69 PolarHBondContact O-N 3.49Å; S67-L69 VanDerWaalsContact C-N 3.3Å; S67-L69 PolarHBondContact O-N 2.69Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 3.29Å; L69-C72 WeakPolarHBondContact O-CB 3.49Å; L69-C72 PolarHBondContact O-N 3.34Å; L69-C72 VanDerWaalsContact O-N 3.14Å; L69-Y73 WeakPolarHBondContact O-CB 3.13Å; L69-Y73 PolarHBondContact O-N 2.94Å; L69-L107 WeakPolarHBondContact CD1-O 2.78Å; L69-L107 HydrophobicContact CD2-CB 3.98Å; L69-L107 HydrophobicContact CG-CB 4.01Å; L69-L107 HydrophobicContact CG-CD2 3.91Å; L69-L107 HydrophobicContact CG-CG 4.48Å; L69-T110 HydrophobicContact CD1-CG2 3.88Å; L69-E111 HydrophobicContact CD1-CB 3.74Å; L69-E111 HydrophobicContact CD2-CB 4.11Å; L69-L114 HydrophobicContact CD1-CD1 4.03Å; L69-W149 HydrophobicContact CB-CH2 4.3Å |
| 70 | D | 90.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.5 | -40.1 | 179 | -76.1 | -14 | 0 | 0 | 0 | 112.3 | T38 N42 L66 S67 T74 P283 N286 | T38-D70 HydrophobicContact CG2-CB 4.35Å; N42-D70 WeakPolarHBondContact ND2-CB 3.45Å; L66-D70 PolarHBondContact O-N 3.07Å; S67-D70 PolarHBondContact O-N 3.36Å; D70-T74 VanDerWaalsContact O-CB 3.24Å; D70-T74 WeakPolarHBondContact O-CB 3.34Å; D70-T74 PolarHBondContact O-N 3.28Å; D70-T74 PolarHBondContact O-OG1 3.23Å; D70-P283 HydrophobicContact CB-CB 4.01Å; D70-N286 PolarHBondContact OD1-ND2 3.4Å; D70-N286 WeakPolarHBondContact OD2-CB 3.26Å; D70-N286 PolarHBondContact OD2-ND2 3.33Å |
| 71 | L | 91.1 | Very high | 87.5 | Confident | 29 Ų | 29 | 22.8 Ų | 22.8 | 15% | 0.152 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.5 | -47.5 | 175.2 | -71 | 173.7 | 0 | 0 | 0 | 111.4 | I39 N42 V43 M46 S67 I68 L69 T75 | I39-L71 HydrophobicContact CB-CD2 4.44Å; I39-L71 HydrophobicContact CD1-CD2 3.58Å; N42-L71 HydrophobicContact CB-CD1 4.34Å; N42-L71 HydrophobicContact CB-CD2 3.88Å; N42-L71 HydrophobicContact CB-CG 3.85Å; V43-L71 HydrophobicContact CG2-CD1 4.12Å; V43-L71 HydrophobicContact CG2-CD2 4.2Å; M46-L71 HydrophobicContact SD-CD1 3.77Å; S67-L71 WeakPolarHBondContact O-CG 3.32Å; S67-L71 PolarHBondContact O-N 3.49Å; I68-L71 PolarHBondContact O-N 2.97Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 3.29Å; L71-T75 WeakPolarHBondContact O-CB 3.48Å; L71-T75 PolarHBondContact O-N 3Å; L71-T75 PolarHBondContact O-OG1 3.36Å |
| 72 | C | 89.9 | Confident | 86.8 | Confident | 53 Ų | 53 | 21 Ų | 21 | 36% | 0.358 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 177.5 | -69.9 | 0 | 0 | 0 | 0 | 111.5 | I68 L69 T76 L107 | I68-C72 PolarHBondContact O-N 3.49Å; I68-C72 PolarHBondContact O-SG 2.83Å; L69-C72 WeakPolarHBondContact O-CB 3.49Å; L69-C72 PolarHBondContact O-N 3.34Å; L69-C72 VanDerWaalsContact O-N 3.14Å; C72-T76 VanDerWaalsContact O-CB 3.28Å; C72-T76 WeakPolarHBondContact O-CB 3.5Å; C72-T76 PolarHBondContact O-N 3.32Å; C72-T76 PolarHBondContact O-OG1 2.87Å; C72-L107 HydrophobicContact CB-CD1 3.64Å; C72-L107 HydrophobicContact CB-CD2 4.23Å |
| 73 | Y | 84.1 | Confident | 86.1 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.8 | -50.4 | -178.9 | -152.6 | -119.3 | 0 | 0 | 0 | 110.9 | L69 T77 F104 L107 G279 P283 | L69-Y73 WeakPolarHBondContact O-CB 3.13Å; L69-Y73 PolarHBondContact O-N 2.94Å; Y73-T77 WeakPolarHBondContact O-CB 3.06Å; Y73-T77 WeakPolarHBondContact O-CG2 3.41Å; Y73-T77 PolarHBondContact O-N 3.17Å; Y73-T77 PolarHBondContact O-OG1 2.9Å; Y73-F104 HydrophobicContact CD1-CE2 4.48Å; Y73-F104 HydrophobicContact CD2-CD2 4.02Å; Y73-F104 HydrophobicContact CD2-CE2 4.47Å; Y73-F104 HydrophobicContact CE1-CD2 4.17Å; Y73-F104 AromaticContact CE1-CE2 3.67Å; Y73-F104 HydrophobicContact CE1-CE2 3.67Å; Y73-F104 HydrophobicContact CE1-CZ 4.31Å; Y73-F104 HydrophobicContact CE2-CB 4.42Å; Y73-F104 HydrophobicContact CE2-CD1 4.39Å; Y73-F104 AromaticContact CE2-CD2 3.29Å; Y73-F104 HydrophobicContact CE2-CD2 3.29Å; Y73-F104 AromaticContact CE2-CE2 3.59Å; Y73-F104 HydrophobicContact CE2-CE2 3.59Å; Y73-F104 AromaticContact CE2-CG 3.78Å; Y73-F104 HydrophobicContact CE2-CG 3.78Å; Y73-F104 HydrophobicContact CE2-CZ 4.27Å; Y73-F104 AromaticContact CZ-CD2 3.4Å; Y73-F104 VanDerWaalsContact CZ-CD2 3.4Å; Y73-F104 AromaticContact CZ-CE2 3.12Å; Y73-F104 AromaticContact CZ-CZ 3.61Å; Y73-F104 WeakPolarHBondContact OH-CE1 3.28Å; Y73-F104 WeakPolarHBondContact OH-CE2 3.24Å; Y73-F104 WeakPolarHBondContact OH-CZ 3.15Å; Y73-L107 HydrophobicContact CD2-CB 3.65Å; Y73-L107 HydrophobicContact CD2-CD1 3.79Å; Y73-L107 HydrophobicContact CD2-CG 4.37Å; Y73-L107 HydrophobicContact CE2-CB 4.06Å; Y73-L107 HydrophobicContact CG-CD1 4.46Å; Y73-G279 WeakPolarHBondContact CD1-O 3.4Å; Y73-G279 WeakPolarHBondContact CE1-O 3.2Å; Y73-P283 HydrophobicContact CD1-CG 3.89Å; Y73-P283 HydrophobicContact CE1-CG 4.37Å |
| 74 | T | 85.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.3 | -38.9 | -177.7 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | Y35 T38 D70 T77 V78 P79 | Y35-T74 HydrophobicContact CD2-CG2 3.45Å; Y35-T74 VanDerWaalsContact CD2-CG2 3.45Å; Y35-T74 HydrophobicContact CE2-CG2 4.02Å; Y35-T74 HydrophobicContact CG-CG2 4.39Å; T38-T74 HydrophobicContact CG2-CG2 4.17Å; T38-T74 WeakPolarHBondContact CG2-OG1 3.42Å; D70-T74 VanDerWaalsContact O-CB 3.24Å; D70-T74 WeakPolarHBondContact O-CB 3.34Å; D70-T74 PolarHBondContact O-N 3.28Å; D70-T74 PolarHBondContact O-OG1 3.23Å; T74-T77 PolarHBondContact O-N 3.37Å; T74-T77 PolarHBondContact O-OG1 2.96Å; T74-V78 HydrophobicContact CG2-CB 4.36Å; T74-V78 HydrophobicContact CG2-CG2 3.89Å; T74-V78 WeakPolarHBondContact O-CB 3.49Å; T74-V78 WeakPolarHBondContact O-CG2 3.43Å; T74-V78 PolarHBondContact O-N 3.12Å; T74-P79 VanDerWaalsContact O-CD 3.27Å; T74-P79 WeakPolarHBondContact O-CD 3.4Å |
| 75 | T | 87.4 | Confident | 84.2 | Confident | 69 Ų | 69 | 25.5 Ų | 25.5 | 42% | 0.423 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -72 | -31.5 | 179.6 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | L71 T77 P79 | L71-T75 WeakPolarHBondContact O-CB 3.48Å; L71-T75 PolarHBondContact O-N 3Å; L71-T75 PolarHBondContact O-OG1 3.36Å; T75-T77 VanDerWaalsContact C-N 3.32Å; T75-P79 WeakPolarHBondContact O-CD 3.43Å; T75-P79 VanDerWaalsContact O-CG 3.31Å; T75-P79 WeakPolarHBondContact O-CG 3.37Å |
| 76 | T | 82.8 | Confident | 83.1 | Confident | 42 Ų | 42 | 26.7 Ų | 26.7 | 26% | 0.258 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -73.7 | -27.8 | 178.4 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | C72 Q100 I103 | C72-T76 VanDerWaalsContact O-CB 3.28Å; C72-T76 WeakPolarHBondContact O-CB 3.5Å; C72-T76 PolarHBondContact O-N 3.32Å; C72-T76 PolarHBondContact O-OG1 2.87Å; T76-Q100 HydrophobicContact CG2-CB 4.4Å; T76-Q100 HydrophobicContact CG2-CG 3.8Å; T76-I103 HydrophobicContact CG2-CB 4.06Å; T76-I103 HydrophobicContact CG2-CD1 3.79Å; T76-I103 HydrophobicContact CG2-CG2 3.89Å |
| 77 | T | 76.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -107.2 | -55.6 | -168.5 | 52.6 | 0 | 0 | 0 | 0 | 113 | Y73 T74 T75 H80 M81 Q100 F104 F178 | Y73-T77 WeakPolarHBondContact O-CB 3.06Å; Y73-T77 WeakPolarHBondContact O-CG2 3.41Å; Y73-T77 PolarHBondContact O-N 3.17Å; Y73-T77 PolarHBondContact O-OG1 2.9Å; T74-T77 PolarHBondContact O-N 3.37Å; T74-T77 PolarHBondContact O-OG1 2.96Å; T75-T77 VanDerWaalsContact C-N 3.32Å; T77-H80 PolarHBondContact O-N 3.45Å; T77-M81 PolarHBondContact O-N 3.49Å; T77-Q100 HydrophobicContact CG2-CG 4.34Å; T77-F104 HydrophobicContact CG2-CD2 4.16Å; T77-F178 VanDerWaalsContact CB-CZ 3.41Å; T77-F178 HydrophobicContact CG2-CD1 4.26Å; T77-F178 HydrophobicContact CG2-CE1 3.78Å; T77-F178 HydrophobicContact CG2-CZ 3.89Å |
| 78 | V | 81.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.3 | -41.2 | -166.8 | -176.1 | 0 | 0 | 0 | 0 | 114 | L31 Y35 T74 H80 M81 L82 I280 | L31-V78 HydrophobicContact CB-CG1 4.1Å; L31-V78 HydrophobicContact CD2-CG1 4.37Å; Y35-V78 HydrophobicContact CD2-CB 3.94Å; Y35-V78 HydrophobicContact CD2-CG1 4.12Å; Y35-V78 HydrophobicContact CG-CG1 4.28Å; T74-V78 HydrophobicContact CG2-CB 4.36Å; T74-V78 HydrophobicContact CG2-CG2 3.89Å; T74-V78 WeakPolarHBondContact O-CB 3.49Å; T74-V78 WeakPolarHBondContact O-CG2 3.43Å; T74-V78 PolarHBondContact O-N 3.12Å; V78-H80 VanDerWaalsContact C-N 3.27Å; V78-H80 PolarHBondContact O-N 3.48Å; V78-M81 WeakPolarHBondContact O-CB 3.42Å; V78-M81 PolarHBondContact O-N 3.05Å; V78-M81 VanDerWaalsContact O-N 3.16Å; V78-L82 HydrophobicContact CG1-CD1 3.95Å; V78-L82 HydrophobicContact CG1-CG 4.14Å; V78-L82 WeakPolarHBondContact O-CG 3.18Å; V78-L82 PolarHBondContact O-N 3.28Å; V78-I280 HydrophobicContact CG2-CD1 4.09Å; V78-I280 HydrophobicContact CG2-CG1 4.13Å; V78-I280 HydrophobicContact CG2-CG2 4.11Å |
| 79 | P | 81.6 | Confident | 78.9 | Confident | 44 Ų | 44 | 44 Ų | 44 | 29% | 0.286 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.4 | -40.9 | 176.2 | -27.7 | 36.8 | 0 | 0 | 0 | 112.9 | Y35 T74 T75 L82 V83 | Y35-P79 HydrophobicContact CE2-CG 3.88Å; T74-P79 VanDerWaalsContact O-CD 3.27Å; T74-P79 WeakPolarHBondContact O-CD 3.4Å; T75-P79 WeakPolarHBondContact O-CD 3.43Å; T75-P79 VanDerWaalsContact O-CG 3.31Å; T75-P79 WeakPolarHBondContact O-CG 3.37Å; P79-L82 PolarHBondContact O-N 3.16Å; P79-V83 WeakPolarHBondContact O-CG2 3.26Å; P79-V83 PolarHBondContact O-N 3.37Å |
| 80 | H | 77.1 | Confident | 77.4 | Confident | 56 Ų | 56 | 47.4 Ų | 47.4 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.9 | -165.6 | -78 | 0 | 0 | 0 | 111.4 | T77 V78 L82 V83 N84 I92 | T77-H80 PolarHBondContact O-N 3.45Å; V78-H80 VanDerWaalsContact C-N 3.27Å; V78-H80 PolarHBondContact O-N 3.48Å; H80-L82 PolarHBondContact O-N 3.12Å; H80-V83 PolarHBondContact O-N 2.99Å; H80-N84 PolarHBondContact CE1-ND2 3.37Å; H80-N84 VanDerWaalsContact CE1-ND2 3.29Å; H80-N84 PolarHBondContact CE1-OD1 3.43Å; H80-N84 VanDerWaalsContact CE1-OD1 3.29Å; H80-N84 PolarHBondContact ND1-ND2 3.34Å; H80-N84 WeakPolarHBondContact O-CB 3.41Å; H80-N84 VanDerWaalsContact O-CG 3.26Å; H80-N84 PolarHBondContact O-N 3.19Å; H80-N84 PolarHBondContact O-OD1 3.3Å; H80-I92 WeakPolarHBondContact NE2-CG1 3.4Å |
| 81 | M | 74.9 | Confident | 75.8 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61 | -43.4 | 174.4 | -68.3 | -179.5 | 138.3 | 0 | 0 | 112.8 | L31 T77 V78 N84 I85 F177 F178 L276 I280 | L31-M81 HydrophobicContact CD1-CB 3.9Å; L31-M81 HydrophobicContact CD1-SD 4.09Å; L31-M81 HydrophobicContact CD2-SD 3.95Å; T77-M81 PolarHBondContact O-N 3.49Å; V78-M81 WeakPolarHBondContact O-CB 3.42Å; V78-M81 PolarHBondContact O-N 3.05Å; V78-M81 VanDerWaalsContact O-N 3.16Å; M81-N84 PolarHBondContact O-N 3.11Å; M81-I85 VanDerWaalsContact O-CG1 3.3Å; M81-I85 WeakPolarHBondContact O-CG1 3.21Å; M81-I85 PolarHBondContact O-N 3.21Å; M81-F177 HydrophobicContact CE-CB 3.73Å; M81-F177 HydrophobicContact CE-CD1 3.58Å; M81-F177 HydrophobicContact CE-CG 4.02Å; M81-F178 HydrophobicContact CE-CD1 3.81Å; M81-F178 HydrophobicContact CE-CD2 3.7Å; M81-F178 HydrophobicContact CE-CE1 3.23Å; M81-F178 HydrophobicContact CE-CE2 3.1Å; M81-F178 HydrophobicContact CE-CG 4.07Å; M81-F178 HydrophobicContact CE-CZ 2.87Å; M81-F178 HydrophobicContact CG-CD1 4.32Å; M81-F178 HydrophobicContact CG-CE1 3.47Å; M81-F178 VanDerWaalsContact CG-CE1 3.47Å; M81-F178 HydrophobicContact CG-CZ 3.84Å; M81-F178 HydrophobicContact SD-CD1 4.47Å; M81-F178 HydrophobicContact SD-CE1 3.41Å; M81-F178 WeakPolarHBondContact SD-CE1 3.49Å; M81-F178 HydrophobicContact SD-CE2 3.88Å; M81-F178 HydrophobicContact SD-CZ 3.07Å; M81-F178 WeakPolarHBondContact SD-CZ 3.24Å; M81-L276 HydrophobicContact CE-CD2 3.48Å; M81-L276 VanDerWaalsContact CE-CD2 3.48Å; M81-L276 HydrophobicContact SD-CD2 4.18Å; M81-I280 HydrophobicContact CE-CD1 4.36Å; M81-I280 HydrophobicContact SD-CD1 3.76Å |
| 82 | L | 78.5 | Confident | 74.6 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 12% | 0.115 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 179.5 | -72.8 | 171.5 | 0 | 0 | 0 | 111.4 | F28 L31 L32 V78 P79 H80 I85 G86 | F28-L82 HydrophobicContact CD2-CD2 3.67Å; F28-L82 HydrophobicContact CE2-CB 4.19Å; F28-L82 HydrophobicContact CE2-CD2 3.72Å; F28-L82 HydrophobicContact CG-CD2 4.15Å; F28-L82 HydrophobicContact CZ-CD2 4.23Å; L31-L82 HydrophobicContact CB-CD2 3.73Å; L31-L82 HydrophobicContact CB-CG 4.31Å; L32-L82 HydrophobicContact CB-CD2 4.19Å; L32-L82 HydrophobicContact CD1-CD1 4.17Å; V78-L82 HydrophobicContact CG1-CD1 3.95Å; V78-L82 HydrophobicContact CG1-CG 4.14Å; V78-L82 WeakPolarHBondContact O-CG 3.18Å; V78-L82 PolarHBondContact O-N 3.28Å; P79-L82 PolarHBondContact O-N 3.16Å; H80-L82 PolarHBondContact O-N 3.12Å; L82-I85 PolarHBondContact O-N 2.99Å; L82-G86 PolarHBondContact O-N 3.28Å |
| 83 | V | 77.9 | Confident | 73.6 | Confident | 73 Ų | 73 | 48.8 Ų | 48.8 | 44% | 0.442 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 175.2 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | P79 H80 I85 G86 Y87 | P79-V83 WeakPolarHBondContact O-CG2 3.26Å; P79-V83 PolarHBondContact O-N 3.37Å; H80-V83 PolarHBondContact O-N 2.99Å; V83-I85 VanDerWaalsContact C-N 3.33Å; V83-I85 PolarHBondContact O-N 3.4Å; V83-G86 PolarHBondContact O-N 2.98Å; V83-Y87 HydrophobicContact CG1-CD2 4.26Å; V83-Y87 PolarHBondContact O-N 3.05Å |
| 84 | N | 73 | Confident | 72.8 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 10% | 0.102 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 179.4 | -77.2 | 6.4 | 0 | 0 | 0 | 112.5 | H80 M81 K89 | H80-N84 PolarHBondContact CE1-ND2 3.37Å; H80-N84 VanDerWaalsContact CE1-ND2 3.29Å; H80-N84 PolarHBondContact CE1-OD1 3.43Å; H80-N84 VanDerWaalsContact CE1-OD1 3.29Å; H80-N84 PolarHBondContact ND1-ND2 3.34Å; H80-N84 WeakPolarHBondContact O-CB 3.41Å; H80-N84 VanDerWaalsContact O-CG 3.26Å; H80-N84 PolarHBondContact O-N 3.19Å; H80-N84 PolarHBondContact O-OD1 3.3Å; M81-N84 PolarHBondContact O-N 3.11Å; N84-K89 WeakPolarHBondContact CA-O 3.36Å; N84-K89 PolarHBondContact OD1-O 3.17Å; N84-K89 VanDerWaalsContact OD1-O 3.08Å |
| 85 | I | 71.1 | Confident | 72 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -74.2 | -44 | 177.8 | -63.3 | 165 | 0 | 0 | 0 | 110.8 | Q24 L27 F28 L31 M81 L82 V83 | Q24-I85 HydrophobicContact CB-CG2 4.14Å; L27-I85 HydrophobicContact CD2-CD1 3.85Å; L27-I85 HydrophobicContact CG-CD1 4.09Å; F28-I85 HydrophobicContact CB-CG2 4Å; F28-I85 HydrophobicContact CD2-CB 4.24Å; F28-I85 HydrophobicContact CD2-CG2 4.06Å; F28-I85 HydrophobicContact CG-CG2 4.5Å; L31-I85 HydrophobicContact CD1-CD1 3.69Å; M81-I85 VanDerWaalsContact O-CG1 3.3Å; M81-I85 WeakPolarHBondContact O-CG1 3.21Å; M81-I85 PolarHBondContact O-N 3.21Å; L82-I85 PolarHBondContact O-N 2.99Å; V83-I85 VanDerWaalsContact C-N 3.33Å; V83-I85 PolarHBondContact O-N 3.4Å |
| 86 | G | 71.3 | Confident | 71.2 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -75.1 | -36.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L82 V83 | L82-G86 PolarHBondContact O-N 3.28Å; V83-G86 PolarHBondContact O-N 2.98Å |
| 87 | Y | 67.7 | Low | 70.7 | Confident | 181 Ų | 181 | 51.3 Ų | 51.3 | 71% | 0.71 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -101 | 3.5 | -177.5 | -78.7 | -84.6 | 0 | 0 | 0 | 113.9 | V83 K89 | V83-Y87 HydrophobicContact CG1-CD2 4.26Å; V83-Y87 PolarHBondContact O-N 3.05Å; Y87-K89 PolarHBondContact O-N 3.43Å |
| 88 | N | 62.4 | Low | 70.6 | Confident | 104 Ų | 104 | 52.1 Ų | 52.1 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | trans | 52 | 15.8 | -171.7 | -75.2 | -44.3 | 0 | 0 | 0 | 114.2 | K90 | N88-K90 PolarHBondContact O-N 2.94Š| ||
| 89 | K | 58.8 | Low | 70.5 | Confident | 143 Ų | 143 | 54.4 Ų | 54.4 | 62% | 0.622 | 31% | 0.306 | S | S | * | . | trans | -82.8 | 97.5 | 172 | -78.4 | -170.9 | 175.9 | -175.6 | 0 | 107.7 | N84 Y87 T91 | N84-K89 WeakPolarHBondContact CA-O 3.36Å; N84-K89 PolarHBondContact OD1-O 3.17Å; N84-K89 VanDerWaalsContact OD1-O 3.08Å; Y87-K89 PolarHBondContact O-N 3.43Å; K89-T91 PolarHBondContact O-N 3.3Å | ||
| 90 | K | 61 | Low | 70.4 | Confident | 72 Ų | 72 | 52.6 Ų | 52.6 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | trans | -87.3 | 20.9 | -173.3 | -60.6 | 175.8 | -169.9 | 173.1 | 0 | 112.7 | I13 L14 S18 N88 | I13-K90 CarbonylContact C-O 3.11Å; I13-K90 WeakPolarHBondContact CA-O 3.28Å; I13-K90 HydrophobicContact CG2-CB 4.06Å; L14-K90 PolarHBondContact N-O 3.5Å; S18-K90 WeakPolarHBondContact OG-CE 3.5Å; S18-K90 PolarHBondContact OG-NZ 2.89Å; N88-K90 PolarHBondContact O-N 2.94Å | ||
| 91 | T | 58.8 | Low | 70.4 | Confident | 51 Ų | 51 | 50 Ų | 50 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.6 | -173.2 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | E11 F12 I13 K89 | E11-T91 PolarHBondContact OE2-OG1 2.92Å; F12-T91 CarbonylContact O-C 3.38Å; F12-T91 WeakPolarHBondContact O-CA 3.35Å; I13-T91 HydrophobicContact CG1-CG2 3.9Å; K89-T91 PolarHBondContact O-N 3.3Å |
| 92 | I | 65.6 | Low | 70.7 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 144.7 | 162.6 | -165.9 | 163.7 | 0 | 0 | 0 | 107.8 | F12 L14 H80 C97 | F12-I92 HydrophobicContact CB-CG2 3.86Å; F12-I92 PolarHBondContact N-O 3.13Å; F12-I92 PolarHBondContact O-N 3.43Å; L14-I92 HydrophobicContact CD1-CB 3.71Å; L14-I92 HydrophobicContact CD1-CG2 3.14Å; H80-I92 WeakPolarHBondContact NE2-CG1 3.4Å; I92-C97 HydrophobicContact CD1-CB 4.43Å; I92-C97 HydrophobicContact CG2-CB 3.98Å |
| 93 | S | 68.4 | Low | 71.1 | Confident | 57 Ų | 57 | 54 Ų | 54 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 154.7 | 170.2 | 68.3 | 0 | 0 | 0 | 0 | 110.8 | K10 A95 G96 C97 | K10-S93 WeakPolarHBondContact O-CA 3.34Å; S93-A95 VanDerWaalsContact C-N 3.26Å; S93-A95 PolarHBondContact O-N 2.93Å; S93-G96 PolarHBondContact O-N 2.9Å; S93-G96 VanDerWaalsContact O-N 3.08Å; S93-G96 PolarHBondContact OG-N 2.8Å; S93-C97 PolarHBondContact O-N 3.42Å |
| 94 | Y | 66.8 | Low | 71.2 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -53.4 | -46.2 | 173.5 | 172.5 | -86.7 | 0 | 0 | 0 | 111.8 | K10 F12 G96 C97 V98 R168 | K10-Y94 PolarHBondContact O-N 3.11Å; F12-Y94 HydrophobicContact CD2-CD2 4.34Å; F12-Y94 AromaticContact CE2-CD2 3.19Å; F12-Y94 HydrophobicContact CE2-CD2 3.19Å; F12-Y94 HydrophobicContact CE2-CE2 4.07Å; F12-Y94 AromaticContact CE2-CG 3.85Å; F12-Y94 HydrophobicContact CE2-CG 3.85Å; F12-Y94 AromaticContact CZ-CD2 3.48Å; F12-Y94 HydrophobicContact CZ-CD2 3.48Å; F12-Y94 VanDerWaalsContact CZ-CD2 3.48Å; F12-Y94 HydrophobicContact CZ-CE2 4.11Å; F12-Y94 HydrophobicContact CZ-CG 4.49Å; Y94-G96 VanDerWaalsContact C-N 3.33Å; Y94-G96 PolarHBondContact O-N 3.33Å; Y94-C97 WeakPolarHBondContact O-CB 3.29Å; Y94-C97 PolarHBondContact O-N 3.46Å; Y94-V98 HydrophobicContact CD1-CG2 4.2Å; Y94-V98 HydrophobicContact CE1-CG2 3.71Å; Y94-V98 HydrophobicContact CE2-CG2 4.11Å; Y94-V98 WeakPolarHBondContact O-CG2 3.19Å; Y94-V98 PolarHBondContact O-N 2.99Å; Y94-R168 VanDerWaalsContact CE2-CZ 3.48Å; Y94-R168 VanDerWaalsContact CZ-NH1 3.31Å; Y94-R168 PolarHBondContact OH-NH1 2.95Å; Y94-R168 PolarHBondContact OH-NH2 3.39Å |
| 95 | A | 68.3 | Low | 71.7 | Confident | 70 Ų | 70 | 51.4 Ų | 51.4 | 58% | 0.579 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.5 | -38.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S93 V98 A99 | S93-A95 VanDerWaalsContact C-N 3.26Å; S93-A95 PolarHBondContact O-N 2.93Å; A95-V98 PolarHBondContact O-N 3.35Å; A95-A99 VanDerWaalsContact O-CB 3.3Å; A95-A99 WeakPolarHBondContact O-CB 3.29Å; A95-A99 PolarHBondContact O-N 3.32Å |
| 96 | G | 72 | Confident | 72.5 | Confident | 24 Ų | 24 | 50 Ų | 50 | 25% | 0.247 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S93 Y94 A99 Q100 | S93-G96 PolarHBondContact O-N 2.9Å; S93-G96 VanDerWaalsContact O-N 3.08Å; S93-G96 PolarHBondContact OG-N 2.8Å; Y94-G96 VanDerWaalsContact C-N 3.33Å; Y94-G96 PolarHBondContact O-N 3.33Å; G96-A99 PolarHBondContact O-N 3.05Å; G96-Q100 VanDerWaalsContact O-CB 3.31Å; G96-Q100 WeakPolarHBondContact O-CB 3.37Å; G96-Q100 PolarHBondContact O-N 2.87Å |
| 97 | C | 71.4 | Confident | 73.5 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.9 | -50.7 | 176 | -158.5 | 0 | 0 | 0 | 0 | 110.8 | F12 I92 S93 Y94 A99 Q100 L101 C179 | F12-C97 HydrophobicContact CD2-CB 4.03Å; F12-C97 HydrophobicContact CE2-CB 4.25Å; I92-C97 HydrophobicContact CD1-CB 4.43Å; I92-C97 HydrophobicContact CG2-CB 3.98Å; S93-C97 PolarHBondContact O-N 3.42Å; Y94-C97 WeakPolarHBondContact O-CB 3.29Å; Y94-C97 PolarHBondContact O-N 3.46Å; C97-A99 PolarHBondContact O-N 3.42Å; C97-Q100 PolarHBondContact O-N 3.32Å; C97-L101 WeakPolarHBondContact O-CB 3.4Å; C97-L101 PolarHBondContact O-N 2.6Å; C97-C179 VanDerWaalsContact CA-SG 3.55Å; C97-C179 HydrophobicContact CB-CB 3.86Å; C97-C179 WeakPolarHBondContact CB-SG 3.11Å; C97-C179 WeakPolarHBondContact O-CB 3.46Å; C97-C179 PolarHBondContact O-SG 2.87Å; C97-C179 WeakPolarHBondContact SG-CB 3.13Å; C97-C179 CovalentContact SG-SG 2.02Å; C97-C179 PolarHBondContact SG-SG 2.85Å |
| 98 | V | 74.9 | Confident | 74.3 | Confident | 19 Ų | 19 | 40 Ų | 40 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | 179.9 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | Y94 A95 Q100 L101 I102 L164 | Y94-V98 HydrophobicContact CD1-CG2 4.2Å; Y94-V98 HydrophobicContact CE1-CG2 3.71Å; Y94-V98 HydrophobicContact CE2-CG2 4.11Å; Y94-V98 WeakPolarHBondContact O-CG2 3.19Å; Y94-V98 PolarHBondContact O-N 2.99Å; A95-V98 PolarHBondContact O-N 3.35Å; V98-Q100 VanDerWaalsContact C-N 3.35Å; V98-Q100 PolarHBondContact O-N 3.11Å; V98-L101 PolarHBondContact O-N 2.89Å; V98-I102 HydrophobicContact CG1-CD1 3.74Å; V98-I102 HydrophobicContact CG1-CG1 4.48Å; V98-I102 WeakPolarHBondContact O-CG1 3.45Å; V98-I102 PolarHBondContact O-N 3.42Å; V98-L164 HydrophobicContact CG1-CD1 3.67Å; V98-L164 HydrophobicContact CG1-CD2 4.29Å; V98-L164 HydrophobicContact CG2-CD2 3.66Å |
| 99 | A | 79.6 | Confident | 75.6 | Confident | 47 Ų | 47 | 35.3 Ų | 35.3 | 39% | 0.388 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | A95 G96 C97 L101 I102 I103 | A95-A99 VanDerWaalsContact O-CB 3.3Å; A95-A99 WeakPolarHBondContact O-CB 3.29Å; A95-A99 PolarHBondContact O-N 3.32Å; G96-A99 PolarHBondContact O-N 3.05Å; C97-A99 PolarHBondContact O-N 3.42Å; A99-L101 PolarHBondContact O-N 2.93Å; A99-I102 PolarHBondContact O-N 2.81Å; A99-I103 WeakPolarHBondContact O-CB 3.21Å; A99-I103 WeakPolarHBondContact O-CD1 3.42Å; A99-I103 VanDerWaalsContact O-CG1 3.24Å; A99-I103 WeakPolarHBondContact O-CG1 3.36Å; A99-I103 PolarHBondContact O-N 3.13Å |
| 100 | Q | 78.3 | Confident | 77.2 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 178.7 | -157.5 | -162.2 | -81.2 | 0 | 0 | 111.6 | T76 T77 G96 C97 V98 I103 F104 | T76-Q100 HydrophobicContact CG2-CB 4.4Å; T76-Q100 HydrophobicContact CG2-CG 3.8Å; T77-Q100 HydrophobicContact CG2-CG 4.34Å; G96-Q100 VanDerWaalsContact O-CB 3.31Å; G96-Q100 WeakPolarHBondContact O-CB 3.37Å; G96-Q100 PolarHBondContact O-N 2.87Å; C97-Q100 PolarHBondContact O-N 3.32Å; V98-Q100 VanDerWaalsContact C-N 3.35Å; V98-Q100 PolarHBondContact O-N 3.11Å; Q100-I103 PolarHBondContact O-N 3.35Å; Q100-F104 WeakPolarHBondContact O-CB 3.27Å; Q100-F104 PolarHBondContact O-N 2.84Å |
| 101 | L | 76.9 | Confident | 78.7 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.4 | -54.6 | 175.8 | 177.7 | 71.4 | 0 | 0 | 0 | 111.4 | C97 V98 A99 I103 F104 L105 C179 V181 L184 | C97-L101 WeakPolarHBondContact O-CB 3.4Å; C97-L101 PolarHBondContact O-N 2.6Å; V98-L101 PolarHBondContact O-N 2.89Å; A99-L101 PolarHBondContact O-N 2.93Å; L101-I103 VanDerWaalsContact C-N 3.31Å; L101-I103 PolarHBondContact O-N 2.94Å; L101-F104 PolarHBondContact O-N 3Å; L101-L105 HydrophobicContact CD1-CD1 3.54Å; L101-L105 HydrophobicContact CD2-CD1 4.44Å; L101-L105 HydrophobicContact CG-CD1 3.6Å; L101-L105 WeakPolarHBondContact O-CD1 3.01Å; L101-L105 PolarHBondContact O-N 3.29Å; L101-C179 HydrophobicContact CB-CB 4.15Å; L101-C179 VanDerWaalsContact CD1-O 3.26Å; L101-C179 WeakPolarHBondContact CD1-O 3.18Å; L101-V181 HydrophobicContact CD1-CG2 3.81Å; L101-L184 HydrophobicContact CD2-CD1 3.38Å |
| 102 | I | 82.6 | Confident | 80.2 | Confident | 55 Ų | 55 | 22.8 Ų | 22.8 | 28% | 0.282 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.1 | -45.6 | -177.8 | -71.1 | 166.5 | 0 | 0 | 0 | 110.5 | V98 A99 A106 S156 S160 | V98-I102 HydrophobicContact CG1-CD1 3.74Å; V98-I102 HydrophobicContact CG1-CG1 4.48Å; V98-I102 WeakPolarHBondContact O-CG1 3.45Å; V98-I102 PolarHBondContact O-N 3.42Å; A99-I102 PolarHBondContact O-N 2.81Å; I102-A106 VanDerWaalsContact O-CB 3.3Å; I102-A106 WeakPolarHBondContact O-CB 3.42Å; I102-A106 PolarHBondContact O-N 3.21Å; I102-S156 VanDerWaalsContact CA-OG 3.31Å; I102-S156 WeakPolarHBondContact CA-OG 3.21Å; I102-S156 WeakPolarHBondContact CG2-OG 3.49Å; I102-S156 PolarHBondContact O-OG 2.73Å; I102-S160 WeakPolarHBondContact CG1-OG 3.48Å |
| 103 | I | 85.9 | Confident | 81.6 | Confident | 58 Ų | 58 | 23.8 Ų | 23.8 | 30% | 0.297 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.6 | -46.3 | 180 | -68.7 | 165.6 | 0 | 0 | 0 | 109.9 | T76 A99 Q100 L101 L105 A106 L107 | T76-I103 HydrophobicContact CG2-CB 4.06Å; T76-I103 HydrophobicContact CG2-CD1 3.79Å; T76-I103 HydrophobicContact CG2-CG2 3.89Å; A99-I103 WeakPolarHBondContact O-CB 3.21Å; A99-I103 WeakPolarHBondContact O-CD1 3.42Å; A99-I103 VanDerWaalsContact O-CG1 3.24Å; A99-I103 WeakPolarHBondContact O-CG1 3.36Å; A99-I103 PolarHBondContact O-N 3.13Å; Q100-I103 PolarHBondContact O-N 3.35Å; L101-I103 VanDerWaalsContact C-N 3.31Å; L101-I103 PolarHBondContact O-N 2.94Å; I103-L105 PolarHBondContact O-N 3.34Å; I103-A106 PolarHBondContact O-N 3.4Å; I103-L107 HydrophobicContact CG2-CD1 3.48Å; I103-L107 VanDerWaalsContact CG2-CD1 3.48Å; I103-L107 HydrophobicContact CG2-CG 4.14Å; I103-L107 WeakPolarHBondContact O-CB 3.33Å; I103-L107 WeakPolarHBondContact O-CG 3.35Å; I103-L107 PolarHBondContact O-N 3.03Å |
| 104 | F | 81.3 | Confident | 82.8 | Confident | 14 Ų | 14 | 21 Ų | 21 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | -177.5 | -169.5 | -92.8 | 0 | 0 | 0 | 112.8 | Y73 T77 Q100 L101 G108 Y278 | Y73-F104 HydrophobicContact CD1-CE2 4.48Å; Y73-F104 HydrophobicContact CD2-CD2 4.02Å; Y73-F104 HydrophobicContact CD2-CE2 4.47Å; Y73-F104 HydrophobicContact CE1-CD2 4.17Å; Y73-F104 AromaticContact CE1-CE2 3.67Å; Y73-F104 HydrophobicContact CE1-CE2 3.67Å; Y73-F104 HydrophobicContact CE1-CZ 4.31Å; Y73-F104 HydrophobicContact CE2-CB 4.42Å; Y73-F104 HydrophobicContact CE2-CD1 4.39Å; Y73-F104 AromaticContact CE2-CD2 3.29Å; Y73-F104 HydrophobicContact CE2-CD2 3.29Å; Y73-F104 AromaticContact CE2-CE2 3.59Å; Y73-F104 HydrophobicContact CE2-CE2 3.59Å; Y73-F104 AromaticContact CE2-CG 3.78Å; Y73-F104 HydrophobicContact CE2-CG 3.78Å; Y73-F104 HydrophobicContact CE2-CZ 4.27Å; Y73-F104 AromaticContact CZ-CD2 3.4Å; Y73-F104 VanDerWaalsContact CZ-CD2 3.4Å; Y73-F104 AromaticContact CZ-CE2 3.12Å; Y73-F104 AromaticContact CZ-CZ 3.61Å; Y73-F104 WeakPolarHBondContact OH-CE1 3.28Å; Y73-F104 WeakPolarHBondContact OH-CE2 3.24Å; Y73-F104 WeakPolarHBondContact OH-CZ 3.15Å; T77-F104 HydrophobicContact CG2-CD2 4.16Å; Q100-F104 WeakPolarHBondContact O-CB 3.27Å; Q100-F104 PolarHBondContact O-N 2.84Å; L101-F104 PolarHBondContact O-N 3Å; F104-G108 PolarHBondContact O-N 3.43Å; F104-Y278 AromaticContact CE1-CE2 3.45Å; F104-Y278 HydrophobicContact CE1-CE2 3.45Å; F104-Y278 VanDerWaalsContact CE1-CE2 3.45Å; F104-Y278 AromaticContact CE1-CZ 3.72Å; F104-Y278 WeakPolarHBondContact CE1-OH 3.4Å; F104-Y278 HydrophobicContact CE2-CE2 4.39Å; F104-Y278 HydrophobicContact CZ-CD2 4.15Å; F104-Y278 AromaticContact CZ-CE2 3.21Å; F104-Y278 HydrophobicContact CZ-CE2 3.21Å; F104-Y278 AromaticContact CZ-CZ 3.56Å; F104-Y278 WeakPolarHBondContact CZ-OH 3.2Å |
| 105 | L | 82 | Confident | 84 | Confident | 22 Ų | 22 | 17.8 Ų | 17.8 | 12% | 0.115 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 174.3 | -87.3 | 140 | 0 | 0 | 0 | 112.4 | L101 I103 A109 Q159 V181 | L101-L105 HydrophobicContact CD1-CD1 3.54Å; L101-L105 HydrophobicContact CD2-CD1 4.44Å; L101-L105 HydrophobicContact CG-CD1 3.6Å; L101-L105 WeakPolarHBondContact O-CD1 3.01Å; L101-L105 PolarHBondContact O-N 3.29Å; I103-L105 PolarHBondContact O-N 3.34Å; L105-A109 WeakPolarHBondContact O-CB 3.37Å; L105-A109 PolarHBondContact O-N 3.44Å; L105-A109 VanDerWaalsContact O-N 3.13Å; L105-Q159 HydrophobicContact CD2-CB 4.12Å; L105-Q159 HydrophobicContact CD2-CG 4.43Å; L105-V181 HydrophobicContact CD1-CG2 3.72Å; L105-V181 HydrophobicContact CD2-CG2 4.27Å; L105-V181 HydrophobicContact CG-CG2 4.46Å |
| 106 | A | 89.3 | Confident | 85.3 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.3 | -50.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I102 I103 A109 T110 G152 F153 | I102-A106 VanDerWaalsContact O-CB 3.3Å; I102-A106 WeakPolarHBondContact O-CB 3.42Å; I102-A106 PolarHBondContact O-N 3.21Å; I103-A106 PolarHBondContact O-N 3.4Å; A106-A109 PolarHBondContact O-N 3.5Å; A106-T110 WeakPolarHBondContact O-CB 3.22Å; A106-T110 PolarHBondContact O-N 2.97Å; A106-T110 PolarHBondContact O-OG1 2.83Å; A106-T110 VanDerWaalsContact O-OG1 3.09Å; A106-G152 WeakPolarHBondContact CA-O 3.05Å; A106-F153 HydrophobicContact CB-CD1 3.77Å; A106-F153 HydrophobicContact CB-CE1 4.01Å; A106-F153 HydrophobicContact CB-CG 4.28Å |
| 107 | L | 90.5 | Very high | 86.4 | Confident | 5 Ų | 5 | 14.4 Ų | 14.4 | 3% | 0.026 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.1 | -45 | -179 | -63.6 | 176.1 | 0 | 0 | 0 | 111.4 | L69 C72 Y73 I103 A109 T110 E111 W149 | L69-L107 WeakPolarHBondContact CD1-O 2.78Å; L69-L107 HydrophobicContact CD2-CB 3.98Å; L69-L107 HydrophobicContact CG-CB 4.01Å; L69-L107 HydrophobicContact CG-CD2 3.91Å; L69-L107 HydrophobicContact CG-CG 4.48Å; C72-L107 HydrophobicContact CB-CD1 3.64Å; C72-L107 HydrophobicContact CB-CD2 4.23Å; Y73-L107 HydrophobicContact CD2-CB 3.65Å; Y73-L107 HydrophobicContact CD2-CD1 3.79Å; Y73-L107 HydrophobicContact CD2-CG 4.37Å; Y73-L107 HydrophobicContact CE2-CB 4.06Å; Y73-L107 HydrophobicContact CG-CD1 4.46Å; I103-L107 HydrophobicContact CG2-CD1 3.48Å; I103-L107 VanDerWaalsContact CG2-CD1 3.48Å; I103-L107 HydrophobicContact CG2-CG 4.14Å; I103-L107 WeakPolarHBondContact O-CB 3.33Å; I103-L107 WeakPolarHBondContact O-CG 3.35Å; I103-L107 PolarHBondContact O-N 3.03Å; L107-A109 VanDerWaalsContact C-N 3.35Å; L107-A109 PolarHBondContact O-N 2.8Å; L107-T110 PolarHBondContact O-N 3.43Å; L107-E111 WeakPolarHBondContact O-CB 3.49Å; L107-E111 PolarHBondContact O-N 2.86Å; L107-W149 HydrophobicContact CD2-CH2 3.78Å; L107-W149 HydrophobicContact CD2-CZ3 3.55Å |
| 108 | G | 86 | Confident | 87.6 | Confident | 13 Ų | 13 | 14.2 Ų | 14.2 | 13% | 0.134 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F104 E111 C112 | F104-G108 PolarHBondContact O-N 3.43Å; G108-E111 PolarHBondContact O-N 3.28Å; G108-C112 PolarHBondContact O-N 2.87Å; G108-C112 PolarHBondContact O-SG 3.25Å |
| 109 | A | 88.8 | Confident | 88.5 | Confident | 5 Ų | 5 | 13.3 Ų | 13.3 | 4% | 0.041 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -68 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L105 A106 L107 C112 L113 N155 I206 | L105-A109 WeakPolarHBondContact O-CB 3.37Å; L105-A109 PolarHBondContact O-N 3.44Å; L105-A109 VanDerWaalsContact O-N 3.13Å; A106-A109 PolarHBondContact O-N 3.5Å; L107-A109 VanDerWaalsContact C-N 3.35Å; L107-A109 PolarHBondContact O-N 2.8Å; A109-C112 WeakPolarHBondContact O-CB 3.42Å; A109-L113 PolarHBondContact O-N 3.26Å; A109-N155 HydrophobicContact CB-CB 4.44Å; A109-I206 HydrophobicContact CB-CD1 4.33Å; A109-I206 HydrophobicContact CB-CG1 3.94Å |
| 110 | T | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 174.1 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | L69 A106 L107 C112 L113 L114 S148 W149 G152 | L69-T110 HydrophobicContact CD1-CG2 3.88Å; A106-T110 WeakPolarHBondContact O-CB 3.22Å; A106-T110 PolarHBondContact O-N 2.97Å; A106-T110 PolarHBondContact O-OG1 2.83Å; A106-T110 VanDerWaalsContact O-OG1 3.09Å; L107-T110 PolarHBondContact O-N 3.43Å; T110-C112 PolarHBondContact O-N 2.93Å; T110-L113 PolarHBondContact O-N 3.14Å; T110-L114 HydrophobicContact CG2-CD1 3.83Å; T110-L114 HydrophobicContact CG2-CG 4.12Å; T110-L114 WeakPolarHBondContact O-CB 3.46Å; T110-L114 WeakPolarHBondContact O-CG 3.22Å; T110-L114 PolarHBondContact O-N 3.01Å; T110-S148 PolarHBondContact OG1-O 3.24Å; T110-W149 HydrophobicContact CG2-CD2 3.77Å; T110-W149 HydrophobicContact CG2-CE3 3.91Å; T110-W149 HydrophobicContact CG2-CG 4.11Å; T110-W149 HydrophobicContact CG2-CZ3 4.4Å; T110-G152 WeakPolarHBondContact OG1-CA 3.43Å |
| 111 | E | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 178.2 | -177.8 | 168.9 | -174.2 | 0 | 0 | 111.2 | L66 L69 L107 G108 L113 L114 L115 F251 | L66-E111 HydrophobicContact CD1-CG 3.8Å; L69-E111 HydrophobicContact CD1-CB 3.74Å; L69-E111 HydrophobicContact CD2-CB 4.11Å; L107-E111 WeakPolarHBondContact O-CB 3.49Å; L107-E111 PolarHBondContact O-N 2.86Å; G108-E111 PolarHBondContact O-N 3.28Å; E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 PolarHBondContact O-N 3Å; E111-L114 PolarHBondContact O-N 3.02Å; E111-L115 HydrophobicContact CG-CD1 4.09Å; E111-L115 HydrophobicContact CG-CG 4.33Å; E111-L115 WeakPolarHBondContact O-CG 3.49Å; E111-L115 PolarHBondContact O-N 2.84Å; E111-F251 HydrophobicContact CB-CE2 4.24Å; E111-F251 HydrophobicContact CB-CZ 4.08Å; E111-F251 VanDerWaalsContact CD-CD2 3.4Å; E111-F251 HydrophobicContact CG-CD2 4.13Å; E111-F251 HydrophobicContact CG-CE1 4.41Å; E111-F251 HydrophobicContact CG-CE2 3.76Å; E111-F251 HydrophobicContact CG-CZ 3.9Å; E111-F251 VanDerWaalsContact OE1-CD2 3.27Å; E111-F251 WeakPolarHBondContact OE1-CD2 3.36Å; E111-F251 WeakPolarHBondContact OE2-CE2 3.39Å |
| 112 | C | 90.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 15.4 Ų | 15.4 | 2% | 0.02 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -50.5 | -50 | 174.8 | -68.8 | 0 | 0 | 0 | 0 | 112 | G108 A109 T110 A116 P210 F251 Y252 | G108-C112 PolarHBondContact O-N 2.87Å; G108-C112 PolarHBondContact O-SG 3.25Å; A109-C112 WeakPolarHBondContact O-CB 3.42Å; T110-C112 PolarHBondContact O-N 2.93Å; C112-A116 PolarHBondContact O-N 3.25Å; C112-A116 VanDerWaalsContact O-N 3.14Å; C112-P210 HydrophobicContact CB-CG 4.47Å; C112-F251 VanDerWaalsContact SG-CE1 3.5Å; C112-Y252 WeakPolarHBondContact CA-OH 3.5Å; C112-Y252 WeakPolarHBondContact CB-OH 3.39Å; C112-Y252 PolarHBondContact O-OH 2.8Å; C112-Y252 VanDerWaalsContact O-OH 3.14Å |
| 113 | L | 94.1 | Very high | 91.3 | Very high | 25 Ų | 25 | 15.2 Ų | 15.2 | 13% | 0.131 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -71.4 | -39.7 | -177.7 | -64.3 | 174.6 | 0 | 0 | 0 | 111.8 | A109 T110 E111 A116 V117 S148 T151 I206 P210 | A109-L113 PolarHBondContact O-N 3.26Å; T110-L113 PolarHBondContact O-N 3.14Å; E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 PolarHBondContact O-N 3Å; L113-A116 PolarHBondContact O-N 2.85Å; L113-V117 VanDerWaalsContact O-CG2 3.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.3Å; L113-V117 PolarHBondContact O-N 3.43Å; L113-S148 WeakPolarHBondContact CB-OG 3.29Å; L113-T151 HydrophobicContact CD1-CG2 3.66Å; L113-I206 HydrophobicContact CD1-CD1 4.29Å; L113-I206 HydrophobicContact CD2-CD1 4.4Å; L113-I206 HydrophobicContact CG-CD1 4.3Å; L113-P210 HydrophobicContact CD2-CG 3.93Å |
| 114 | L | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 175.4 | -74.8 | 175.7 | 0 | 0 | 0 | 111.6 | F62 N65 L69 T110 E111 A116 V117 M118 | F62-L114 HydrophobicContact CD1-CD2 4Å; N65-L114 HydrophobicContact CB-CD1 3.98Å; N65-L114 HydrophobicContact CB-CD2 4.24Å; L69-L114 HydrophobicContact CD1-CD1 4.03Å; T110-L114 HydrophobicContact CG2-CD1 3.83Å; T110-L114 HydrophobicContact CG2-CG 4.12Å; T110-L114 WeakPolarHBondContact O-CB 3.46Å; T110-L114 WeakPolarHBondContact O-CG 3.22Å; T110-L114 PolarHBondContact O-N 3.01Å; E111-L114 PolarHBondContact O-N 3.02Å; L114-A116 VanDerWaalsContact C-N 3.31Å; L114-A116 PolarHBondContact O-N 2.92Å; L114-V117 PolarHBondContact O-N 2.75Å; L114-M118 WeakPolarHBondContact O-CB 3.26Å; L114-M118 VanDerWaalsContact O-CG 3.22Å; L114-M118 WeakPolarHBondContact O-CG 3.45Å; L114-M118 PolarHBondContact O-N 2.9Å |
| 115 | L | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.8 | -38.2 | 175.6 | -69.2 | 176.7 | 0 | 0 | 0 | 112 | L66 E111 M118 S119 I214 H244 V247 V248 F251 Y252 | L66-L115 HydrophobicContact CD2-CD2 4.35Å; E111-L115 HydrophobicContact CG-CD1 4.09Å; E111-L115 HydrophobicContact CG-CG 4.33Å; E111-L115 WeakPolarHBondContact O-CG 3.49Å; E111-L115 PolarHBondContact O-N 2.84Å; L115-M118 PolarHBondContact O-N 3.2Å; L115-S119 PolarHBondContact O-N 3.42Å; L115-I214 HydrophobicContact CB-CD1 4.31Å; L115-H244 PolarHBondContact O-CE1 3.22Å; L115-H244 PolarHBondContact O-NE2 3Å; L115-V247 HydrophobicContact CD2-CG1 3.86Å; L115-V248 HydrophobicContact CB-CG2 4.45Å; L115-F251 HydrophobicContact CD1-CB 4.08Å; L115-F251 HydrophobicContact CD1-CD1 3.71Å; L115-F251 HydrophobicContact CD1-CE1 4.35Å; L115-F251 HydrophobicContact CD1-CG 3.92Å; L115-Y252 HydrophobicContact CB-CE2 4.48Å; L115-Y252 HydrophobicContact CD1-CE2 4.09Å |
| 116 | A | 94.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 14.4 Ų | 14.4 | 11% | 0.107 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C112 L113 L114 M118 S119 F120 P210 I214 | C112-A116 PolarHBondContact O-N 3.25Å; C112-A116 VanDerWaalsContact O-N 3.14Å; L113-A116 PolarHBondContact O-N 2.85Å; L114-A116 VanDerWaalsContact C-N 3.31Å; L114-A116 PolarHBondContact O-N 2.92Å; A116-M118 VanDerWaalsContact C-N 3.34Å; A116-M118 PolarHBondContact O-N 3.4Å; A116-S119 WeakPolarHBondContact O-CB 3.4Å; A116-S119 PolarHBondContact O-N 3.31Å; A116-S119 VanDerWaalsContact O-N 3.16Å; A116-S119 PolarHBondContact O-OG 2.82Å; A116-F120 PolarHBondContact O-N 2.92Å; A116-P210 HydrophobicContact CB-CB 3.96Å; A116-I214 HydrophobicContact CB-CD1 4.36Å; A116-I214 HydrophobicContact CB-CG1 4.14Å |
| 117 | V | 95.8 | Very high | 92.7 | Very high | 9 Ų | 9 | 16 Ų | 16 | 6% | 0.055 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 177.8 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | F62 L113 L114 S119 F120 D121 M144 | F62-V117 HydrophobicContact CD1-CG1 4.1Å; F62-V117 HydrophobicContact CD2-CG1 4.17Å; F62-V117 HydrophobicContact CE1-CB 4.48Å; F62-V117 HydrophobicContact CE1-CG1 3.53Å; F62-V117 HydrophobicContact CE2-CG1 3.62Å; F62-V117 HydrophobicContact CG-CG1 4.4Å; F62-V117 HydrophobicContact CZ-CG1 3.25Å; L113-V117 VanDerWaalsContact O-CG2 3.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.3Å; L113-V117 PolarHBondContact O-N 3.43Å; L114-V117 PolarHBondContact O-N 2.75Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 3.35Å; V117-F120 WeakPolarHBondContact O-CB 3.47Å; V117-F120 PolarHBondContact O-N 3.48Å; V117-D121 PolarHBondContact O-N 3.14Å; V117-M144 HydrophobicContact CG1-CB 3.92Å; V117-M144 HydrophobicContact CG1-CG 4.34Å; V117-M144 HydrophobicContact CG2-CB 4.19Å; V117-M144 HydrophobicContact CG2-CE 3.53Å |
| 118 | M | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64 | -37.8 | 173 | -70.8 | 170.1 | 75.3 | 0 | 0 | 111.6 | M59 F62 L63 L66 L114 L115 A116 F120 D121 R122 H244 Y290 | M59-M118 HydrophobicContact CE-CE 3.32Å; M59-M118 HydrophobicContact SD-CB 4.25Å; M59-M118 HydrophobicContact SD-CE 4.02Å; M59-M118 HydrophobicContact SD-CG 4.37Å; F62-M118 HydrophobicContact CB-CG 3.52Å; F62-M118 HydrophobicContact CB-SD 4.04Å; F62-M118 HydrophobicContact CG-CG 4.22Å; L63-M118 HydrophobicContact CB-CE 4.45Å; L63-M118 HydrophobicContact CD1-CE 4.3Å; L66-M118 HydrophobicContact CD2-CE 4.46Å; L66-M118 HydrophobicContact CD2-SD 4.33Å; L114-M118 WeakPolarHBondContact O-CB 3.26Å; L114-M118 VanDerWaalsContact O-CG 3.22Å; L114-M118 WeakPolarHBondContact O-CG 3.45Å; L114-M118 PolarHBondContact O-N 2.9Å; L115-M118 PolarHBondContact O-N 3.2Å; A116-M118 VanDerWaalsContact C-N 3.34Å; A116-M118 PolarHBondContact O-N 3.4Å; M118-F120 VanDerWaalsContact C-N 3.31Å; M118-F120 PolarHBondContact O-N 2.96Å; M118-D121 WeakPolarHBondContact O-CB 3.48Å; M118-D121 PolarHBondContact O-N 3.49Å; M118-R122 WeakPolarHBondContact O-CG 3.46Å; M118-R122 PolarHBondContact O-N 2.88Å; M118-R122 VanDerWaalsContact O-N 3.14Å; M118-H244 WeakPolarHBondContact CB-NE2 3.4Å; M118-Y290 HydrophobicContact CE-CE1 4.14Å; M118-Y290 WeakPolarHBondContact CE-OH 3.36Å |
| 119 | S | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.1 | -37.2 | 172.2 | 82.6 | 0 | 0 | 0 | 0 | 112.5 | L115 A116 V117 R122 Y123 I214 | L115-S119 PolarHBondContact O-N 3.42Å; A116-S119 WeakPolarHBondContact O-CB 3.4Å; A116-S119 PolarHBondContact O-N 3.31Å; A116-S119 VanDerWaalsContact O-N 3.16Å; A116-S119 PolarHBondContact O-OG 2.82Å; V117-S119 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 3.35Å; S119-R122 PolarHBondContact O-N 3.28Å; S119-Y123 PolarHBondContact O-N 3.22Å; S119-I214 WeakPolarHBondContact OG-CG1 3.44Å |
| 120 | F | 95.4 | Very high | 93.1 | Very high | 74 Ų | 74 | 33.9 Ų | 33.9 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67.4 | -42.5 | 176.1 | -178 | -104.5 | 0 | 0 | 0 | 111.7 | A116 V117 M118 R122 Y123 V124 I135 M136 F140 | A116-F120 PolarHBondContact O-N 2.92Å; V117-F120 WeakPolarHBondContact O-CB 3.47Å; V117-F120 PolarHBondContact O-N 3.48Å; M118-F120 VanDerWaalsContact C-N 3.31Å; M118-F120 PolarHBondContact O-N 2.96Å; F120-R122 VanDerWaalsContact C-N 3.29Å; F120-R122 PolarHBondContact O-N 2.95Å; F120-Y123 HydrophobicContact CD2-CD1 4.18Å; F120-Y123 HydrophobicContact CE2-CD1 4.13Å; F120-Y123 HydrophobicContact CE2-CE1 4.49Å; F120-Y123 WeakPolarHBondContact O-CB 3.46Å; F120-Y123 PolarHBondContact O-N 3.44Å; F120-Y123 VanDerWaalsContact O-N 3.13Å; F120-V124 HydrophobicContact CD1-CG2 4.17Å; F120-V124 HydrophobicContact CD2-CG2 4.44Å; F120-V124 HydrophobicContact CE1-CG2 3.73Å; F120-V124 HydrophobicContact CE2-CG2 4.03Å; F120-V124 HydrophobicContact CZ-CG2 3.65Å; F120-V124 WeakPolarHBondContact O-CG2 3.31Å; F120-V124 PolarHBondContact O-N 3.38Å; F120-I135 HydrophobicContact CE1-CG2 4.31Å; F120-I135 HydrophobicContact CZ-CG2 4.48Å; F120-M136 HydrophobicContact CD1-SD 4.04Å; F120-M136 HydrophobicContact CE1-SD 4.09Å; F120-F140 HydrophobicContact CD1-CE1 4.25Å; F120-F140 HydrophobicContact CD1-CZ 4.34Å; F120-F140 AromaticContact CE1-CE1 4Å; F120-F140 HydrophobicContact CE1-CE1 4Å; F120-F140 AromaticContact CE1-CZ 3.87Å; F120-F140 HydrophobicContact CE1-CZ 3.87Å |
| 121 | D | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -51.4 | -49.9 | 170.5 | 169.6 | 79.9 | 0 | 0 | 0 | 111 | V117 M118 Y123 V124 A125 Y132 M136 | V117-D121 PolarHBondContact O-N 3.14Å; M118-D121 WeakPolarHBondContact O-CB 3.48Å; M118-D121 PolarHBondContact O-N 3.49Å; D121-Y123 VanDerWaalsContact C-N 3.33Å; D121-Y123 PolarHBondContact O-N 3.48Å; D121-V124 PolarHBondContact O-N 3.09Å; D121-A125 VanDerWaalsContact O-CB 3.31Å; D121-A125 WeakPolarHBondContact O-CB 3.27Å; D121-A125 PolarHBondContact O-N 3.46Å; D121-Y132 WeakPolarHBondContact OD1-CE2 3.24Å; D121-Y132 PolarHBondContact OD1-OH 2.98Å; D121-M136 HydrophobicContact CB-CE 3.69Å |
| 122 | R | 93.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 41 Ų | 41 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 179.1 | -64.5 | -43.4 | -169.9 | -169.9 | 9.9 | 112.5 | M59 M118 S119 F120 A125 V126 I221 | M59-R122 VanDerWaalsContact CG-CZ 3.47Å; M59-R122 VanDerWaalsContact CG-NH2 3.3Å; M59-R122 PolarHBondContact SD-NE 3.11Å; M59-R122 VanDerWaalsContact SD-NE 3.37Å; M118-R122 WeakPolarHBondContact O-CG 3.46Å; M118-R122 PolarHBondContact O-N 2.88Å; M118-R122 VanDerWaalsContact O-N 3.14Å; S119-R122 PolarHBondContact O-N 3.28Å; F120-R122 VanDerWaalsContact C-N 3.29Å; F120-R122 PolarHBondContact O-N 2.95Å; R122-A125 PolarHBondContact O-N 3.25Å; R122-V126 WeakPolarHBondContact O-CB 3.36Å; R122-V126 WeakPolarHBondContact O-CG2 3.23Å; R122-V126 PolarHBondContact O-N 2.93Å; R122-I221 HydrophobicContact CB-CD1 3.86Å |
| 123 | Y | 94.3 | Very high | 93.1 | Very high | 52 Ų | 52 | 46.4 Ų | 46.4 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.7 | -51.5 | 175.2 | 164.4 | -97.7 | 0 | 0 | 0 | 111.1 | S119 F120 D121 A125 V126 C127 F220 | S119-Y123 PolarHBondContact O-N 3.22Å; F120-Y123 HydrophobicContact CD2-CD1 4.18Å; F120-Y123 HydrophobicContact CE2-CD1 4.13Å; F120-Y123 HydrophobicContact CE2-CE1 4.49Å; F120-Y123 WeakPolarHBondContact O-CB 3.46Å; F120-Y123 PolarHBondContact O-N 3.44Å; F120-Y123 VanDerWaalsContact O-N 3.13Å; D121-Y123 VanDerWaalsContact C-N 3.33Å; D121-Y123 PolarHBondContact O-N 3.48Å; Y123-A125 VanDerWaalsContact C-N 3.33Å; Y123-A125 PolarHBondContact O-N 2.88Å; Y123-V126 PolarHBondContact O-N 3.25Å; Y123-C127 HydrophobicContact CD2-CB 3.97Å; Y123-C127 HydrophobicContact CE2-CB 3.72Å; Y123-C127 VanDerWaalsContact O-CB 3.24Å; Y123-C127 WeakPolarHBondContact O-CB 3.4Å; Y123-C127 PolarHBondContact O-N 2.98Å; Y123-F220 HydrophobicContact CD2-CB 3.8Å; Y123-F220 HydrophobicContact CD2-CG 4.48Å; Y123-F220 HydrophobicContact CE2-CB 3.6Å; Y123-F220 AromaticContact CE2-CD2 3.99Å; Y123-F220 HydrophobicContact CE2-CD2 3.99Å; Y123-F220 AromaticContact CE2-CG 3.92Å; Y123-F220 HydrophobicContact CE2-CG 3.92Å |
| 124 | V | 94.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | -179.2 | -177 | 0 | 0 | 0 | 0 | 110.5 | F120 D121 V126 R128 Y132 I135 M136 | F120-V124 HydrophobicContact CD1-CG2 4.17Å; F120-V124 HydrophobicContact CD2-CG2 4.44Å; F120-V124 HydrophobicContact CE1-CG2 3.73Å; F120-V124 HydrophobicContact CE2-CG2 4.03Å; F120-V124 HydrophobicContact CZ-CG2 3.65Å; F120-V124 WeakPolarHBondContact O-CG2 3.31Å; F120-V124 PolarHBondContact O-N 3.38Å; D121-V124 PolarHBondContact O-N 3.09Å; V124-V126 VanDerWaalsContact C-N 3.34Å; V124-V126 PolarHBondContact O-N 2.93Å; V124-R128 HydrophobicContact CG1-CB 4.32Å; V124-R128 CarbonylContact O-C 3.55Å; V124-R128 WeakPolarHBondContact O-CA 3.45Å; V124-R128 PolarHBondContact O-N 3.09Å; V124-Y132 HydrophobicContact CB-CD2 4.22Å; V124-Y132 HydrophobicContact CG1-CD2 3.93Å; V124-I135 HydrophobicContact CG1-CB 4.03Å; V124-I135 HydrophobicContact CG1-CD1 3.83Å; V124-I135 HydrophobicContact CG1-CG2 4.07Å; V124-I135 HydrophobicContact CG2-CG2 4.1Å; V124-M136 HydrophobicContact CB-CG 4.27Å; V124-M136 HydrophobicContact CG1-CG 4.29Å |
| 125 | A | 91.6 | Very high | 93 | Very high | 34 Ų | 34 | 53.3 Ų | 53.3 | 28% | 0.281 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D121 R122 Y123 Y132 | D121-A125 VanDerWaalsContact O-CB 3.31Å; D121-A125 WeakPolarHBondContact O-CB 3.27Å; D121-A125 PolarHBondContact O-N 3.46Å; R122-A125 PolarHBondContact O-N 3.25Å; Y123-A125 VanDerWaalsContact C-N 3.33Å; Y123-A125 PolarHBondContact O-N 2.88Å; A125-Y132 HydrophobicContact CB-CD2 3.84Å; A125-Y132 HydrophobicContact CB-CE2 3.74Å |
| 126 | V | 90.4 | Very high | 93.1 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -90.8 | -46.1 | -176.5 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | R122 Y123 V124 I221 A224 V225 | R122-V126 WeakPolarHBondContact O-CB 3.36Å; R122-V126 WeakPolarHBondContact O-CG2 3.23Å; R122-V126 PolarHBondContact O-N 2.93Å; Y123-V126 PolarHBondContact O-N 3.25Å; V124-V126 VanDerWaalsContact C-N 3.34Å; V124-V126 PolarHBondContact O-N 2.93Å; V126-I221 HydrophobicContact CB-CG1 4.5Å; V126-I221 HydrophobicContact CG1-CG2 4.34Å; V126-I221 HydrophobicContact CG2-CG2 4.48Å; V126-A224 HydrophobicContact CG1-CB 3.9Å; V126-V225 HydrophobicContact CG1-CG2 4.18Å |
| 127 | C | 90.9 | Very high | 93.1 | Very high | 35 Ų | 35 | 55.9 Ų | 55.9 | 24% | 0.236 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -87.5 | -23.5 | -172.4 | -60.7 | 0 | 0 | 0 | 0 | 113 | Y123 | Y123-C127 HydrophobicContact CD2-CB 3.97Å; Y123-C127 HydrophobicContact CE2-CB 3.72Å; Y123-C127 VanDerWaalsContact O-CB 3.24Å; Y123-C127 WeakPolarHBondContact O-CB 3.4Å; Y123-C127 PolarHBondContact O-N 2.98Å |
| 128 | R | 91.7 | Very high | 92.9 | Very high | 144 Ų | 144 | 62.6 Ų | 62.6 | 54% | 0.543 | 32% | 0.318 | S | S | . | . | trans | -135.3 | 53.2 | -177.1 | -62.2 | -66.8 | -172.4 | 171.5 | 2.3 | 112.4 | V124 L130 H131 Y132 | V124-R128 HydrophobicContact CG1-CB 4.32Å; V124-R128 CarbonylContact O-C 3.55Å; V124-R128 WeakPolarHBondContact O-CA 3.45Å; V124-R128 PolarHBondContact O-N 3.09Å; R128-L130 VanDerWaalsContact C-N 3.31Å; R128-L130 PolarHBondContact O-N 3.46Å; R128-L130 VanDerWaalsContact O-N 3.17Å; R128-H131 PolarHBondContact O-N 3.14Å; R128-Y132 PolarHBondContact O-N 2.94Å | ||
| 129 | P | 89.1 | Confident | 92.9 | Very high | 88 Ų | 88 | 70.4 Ų | 70.4 | 57% | 0.571 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -58.1 | -37.5 | -171 | 23.4 | -34.4 | 0 | 0 | 0 | 113.9 | H131 Y132 | P129-H131 VanDerWaalsContact C-N 3.27Å; P129-H131 PolarHBondContact O-N 2.64Å; P129-Y132 WeakPolarHBondContact O-CB 3.39Å; P129-Y132 PolarHBondContact O-N 3.16Å |
| 130 | L | 91.9 | Very high | 92.9 | Very high | 165 Ų | 165 | 73.1 Ų | 73.1 | 86% | 0.864 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -67.4 | -24.6 | 179.6 | -65.8 | 175.9 | 0 | 0 | 0 | 113.9 | R128 | R128-L130 VanDerWaalsContact C-N 3.31Å; R128-L130 PolarHBondContact O-N 3.46Å; R128-L130 VanDerWaalsContact O-N 3.17Å |
| 131 | H | 92.8 | Very high | 92.9 | Very high | 108 Ų | 108 | 69.8 Ų | 69.8 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -103.5 | 0.9 | -178.8 | -66.1 | 74.9 | 0 | 0 | 0 | 112.2 | R128 P129 V133 V134 I135 | R128-H131 PolarHBondContact O-N 3.14Å; P129-H131 VanDerWaalsContact C-N 3.27Å; P129-H131 PolarHBondContact O-N 2.64Å; H131-V133 PolarHBondContact O-N 3.17Å; H131-V134 PolarHBondContact O-N 2.92Å; H131-I135 HydrophobicContact CB-CD1 3.71Å; H131-I135 HydrophobicContact CB-CG1 4.29Å; H131-I135 WeakPolarHBondContact O-CG1 3.33Å; H131-I135 PolarHBondContact O-N 3.48Å |
| 132 | Y | 93.1 | Very high | 92.9 | Very high | 41 Ų | 41 | 73 Ų | 73 | 16% | 0.161 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56 | -49.7 | -172.5 | 177.3 | -103.4 | 0 | 0 | 0 | 112.7 | P58 D121 V124 A125 R128 P129 V134 I135 M136 | P58-Y132 WeakPolarHBondContact CD-OH 3.24Å; P58-Y132 HydrophobicContact CG-CE1 4.5Å; P58-Y132 WeakPolarHBondContact CG-OH 3.27Å; D121-Y132 WeakPolarHBondContact OD1-CE2 3.24Å; D121-Y132 PolarHBondContact OD1-OH 2.98Å; V124-Y132 HydrophobicContact CB-CD2 4.22Å; V124-Y132 HydrophobicContact CG1-CD2 3.93Å; A125-Y132 HydrophobicContact CB-CD2 3.84Å; A125-Y132 HydrophobicContact CB-CE2 3.74Å; R128-Y132 PolarHBondContact O-N 2.94Å; P129-Y132 WeakPolarHBondContact O-CB 3.39Å; P129-Y132 PolarHBondContact O-N 3.16Å; Y132-V134 VanDerWaalsContact C-N 3.29Å; Y132-V134 PolarHBondContact O-N 3.41Å; Y132-I135 PolarHBondContact O-N 3.33Å; Y132-M136 HydrophobicContact CD2-CB 4.24Å; Y132-M136 HydrophobicContact CD2-CG 3.99Å; Y132-M136 HydrophobicContact CE2-CB 3.89Å; Y132-M136 HydrophobicContact CE2-CG 3.69Å; Y132-M136 WeakPolarHBondContact O-CB 3.22Å; Y132-M136 PolarHBondContact O-N 3.4Å |
| 133 | V | 90.6 | Very high | 93.2 | Very high | 118 Ų | 118 | 80.3 Ų | 80.3 | 72% | 0.715 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.9 | -31.5 | -176.4 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | H131 | H131-V133 PolarHBondContact O-N 3.17Å |
| 134 | V | 93.1 | Very high | 93.3 | Very high | 111 Ų | 111 | 80.2 Ų | 80.2 | 67% | 0.673 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -75.3 | -43.1 | 179.1 | -179 | 0 | 0 | 0 | 0 | 110.5 | H131 Y132 N137 | H131-V134 PolarHBondContact O-N 2.92Å; Y132-V134 VanDerWaalsContact C-N 3.29Å; Y132-V134 PolarHBondContact O-N 3.41Å; V134-N137 PolarHBondContact O-ND2 3.44Å |
| 135 | I | 93.1 | Very high | 93.4 | Very high | 58 Ų | 58 | 80.3 Ų | 80.3 | 30% | 0.297 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -74 | -56.2 | -178.9 | -63.9 | 167.7 | 0 | 0 | 0 | 110.6 | F120 V124 H131 Y132 N137 F140 | F120-I135 HydrophobicContact CE1-CG2 4.31Å; F120-I135 HydrophobicContact CZ-CG2 4.48Å; V124-I135 HydrophobicContact CG1-CB 4.03Å; V124-I135 HydrophobicContact CG1-CD1 3.83Å; V124-I135 HydrophobicContact CG1-CG2 4.07Å; V124-I135 HydrophobicContact CG2-CG2 4.1Å; H131-I135 HydrophobicContact CB-CD1 3.71Å; H131-I135 HydrophobicContact CB-CG1 4.29Å; H131-I135 WeakPolarHBondContact O-CG1 3.33Å; H131-I135 PolarHBondContact O-N 3.48Å; Y132-I135 PolarHBondContact O-N 3.33Å; I135-N137 PolarHBondContact O-N 3.42Å; I135-N137 VanDerWaalsContact O-N 3.1Å; I135-F140 WeakPolarHBondContact O-CB 3.47Å; I135-F140 WeakPolarHBondContact O-CG 3.45Å |
| 136 | M | 94.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 81.3 Ų | 81.3 | 3% | 0.03 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -89.3 | 51.8 | -177.5 | -62.6 | -62.7 | -62.6 | 0 | 0 | 111.3 | P58 F62 F120 D121 V124 Y132 F140 | P58-M136 HydrophobicContact CB-CB 4.19Å; P58-M136 HydrophobicContact CB-CE 3.78Å; P58-M136 HydrophobicContact CG-CB 3.82Å; P58-M136 WeakPolarHBondContact CG-O 3.31Å; F62-M136 HydrophobicContact CE2-CE 3.8Å; F120-M136 HydrophobicContact CD1-SD 4.04Å; F120-M136 HydrophobicContact CE1-SD 4.09Å; D121-M136 HydrophobicContact CB-CE 3.69Å; V124-M136 HydrophobicContact CB-CG 4.27Å; V124-M136 HydrophobicContact CG1-CG 4.29Å; Y132-M136 HydrophobicContact CD2-CB 4.24Å; Y132-M136 HydrophobicContact CD2-CG 3.99Å; Y132-M136 HydrophobicContact CE2-CB 3.89Å; Y132-M136 HydrophobicContact CE2-CG 3.69Å; Y132-M136 WeakPolarHBondContact O-CB 3.22Å; Y132-M136 PolarHBondContact O-N 3.4Å; M136-F140 HydrophobicContact CE-CD1 4.37Å; M136-F140 HydrophobicContact CE-CE1 4.34Å; M136-F140 HydrophobicContact SD-CD1 3.82Å; M136-F140 HydrophobicContact SD-CE1 3.63Å |
| 137 | N | 93.9 | Very high | 94 | Very high | 62 Ų | 62 | 84.7 Ų | 84.7 | 33% | 0.332 | 41% | 0.413 | S | S | . | . | trans | -77.9 | 167.1 | 174.1 | 67.8 | 69.5 | 0 | 0 | 0 | 111.5 | V134 I135 W139 F140 C141 | V134-N137 PolarHBondContact O-ND2 3.44Å; I135-N137 PolarHBondContact O-N 3.42Å; I135-N137 VanDerWaalsContact O-N 3.1Å; N137-W139 VanDerWaalsContact C-N 3.34Å; N137-W139 PolarHBondContact O-N 2.84Å; N137-W139 WeakPolarHBondContact OD1-CB 3.35Å; N137-W139 PolarHBondContact OD1-N 3.07Å; N137-W139 VanDerWaalsContact OD1-N 3.09Å; N137-F140 PolarHBondContact O-N 3.43Å; N137-F140 PolarHBondContact OD1-N 2.75Å; N137-C141 PolarHBondContact O-N 3.32Å; N137-C141 PolarHBondContact O-SG 3.12Å | ||
| 138 | Y | 91.7 | Very high | 94.2 | Very high | 149 Ų | 149 | 83 Ų | 83 | 58% | 0.584 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -55.5 | -44.2 | -177.2 | 175.6 | -102.8 | 0 | 0 | 0 | 113.5 | F140 C141 L142 | Y138-F140 PolarHBondContact O-N 2.85Å; Y138-C141 PolarHBondContact O-N 2.89Å; Y138-L142 HydrophobicContact CE1-CD2 4.41Å; Y138-L142 WeakPolarHBondContact O-CB 3.48Å; Y138-L142 PolarHBondContact O-N 3.3Å |
| 139 | W | 95 | Very high | 94.5 | Very high | 164 Ų | 164 | 78.5 Ų | 78.5 | 62% | 0.621 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.2 | -38.5 | -179 | -67 | 106.4 | 0 | 0 | 0 | 112.4 | N137 L142 R143 | N137-W139 VanDerWaalsContact C-N 3.34Å; N137-W139 PolarHBondContact O-N 2.84Å; N137-W139 WeakPolarHBondContact OD1-CB 3.35Å; N137-W139 PolarHBondContact OD1-N 3.07Å; N137-W139 VanDerWaalsContact OD1-N 3.09Å; W139-L142 HydrophobicContact CE3-CD2 4.28Å; W139-L142 HydrophobicContact CZ3-CD2 4.29Å; W139-L142 PolarHBondContact O-N 3.37Å; W139-R143 WeakPolarHBondContact O-CB 3.49Å; W139-R143 VanDerWaalsContact O-CG 3.24Å; W139-R143 WeakPolarHBondContact O-CG 3.25Å; W139-R143 PolarHBondContact O-N 3.49Å |
| 140 | F | 94.9 | Very high | 94.8 | Very high | 58 Ų | 58 | 81.2 Ų | 81.2 | 25% | 0.254 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 172.4 | -178.1 | -97 | 0 | 0 | 0 | 110.5 | F120 I135 M136 N137 Y138 L142 R143 M144 | F120-F140 HydrophobicContact CD1-CE1 4.25Å; F120-F140 HydrophobicContact CD1-CZ 4.34Å; F120-F140 AromaticContact CE1-CE1 4Å; F120-F140 HydrophobicContact CE1-CE1 4Å; F120-F140 AromaticContact CE1-CZ 3.87Å; F120-F140 HydrophobicContact CE1-CZ 3.87Å; I135-F140 WeakPolarHBondContact O-CB 3.47Å; I135-F140 WeakPolarHBondContact O-CG 3.45Å; M136-F140 HydrophobicContact CE-CD1 4.37Å; M136-F140 HydrophobicContact CE-CE1 4.34Å; M136-F140 HydrophobicContact SD-CD1 3.82Å; M136-F140 HydrophobicContact SD-CE1 3.63Å; N137-F140 PolarHBondContact O-N 3.43Å; N137-F140 PolarHBondContact OD1-N 2.75Å; Y138-F140 PolarHBondContact O-N 2.85Å; F140-L142 VanDerWaalsContact C-N 3.35Å; F140-L142 PolarHBondContact O-N 3.3Å; F140-R143 PolarHBondContact O-N 2.86Å; F140-M144 HydrophobicContact CD1-CG 4.04Å; F140-M144 HydrophobicContact CD2-CG 4.46Å; F140-M144 HydrophobicContact CE1-CG 3.6Å; F140-M144 HydrophobicContact CE1-SD 4.49Å; F140-M144 HydrophobicContact CE2-CG 4.06Å; F140-M144 HydrophobicContact CE2-SD 4.1Å; F140-M144 HydrophobicContact CG-CG 4.45Å; F140-M144 HydrophobicContact CZ-CG 3.61Å; F140-M144 HydrophobicContact CZ-SD 3.9Å; F140-M144 WeakPolarHBondContact O-CG 3.22Å; F140-M144 PolarHBondContact O-N 2.79Å |
| 141 | C | 95.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 75 Ų | 75 | 3% | 0.027 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 179.1 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | P58 F61 F62 N137 Y138 M144 A145 | P58-C141 VanDerWaalsContact CB-SG 3.55Å; F61-C141 HydrophobicContact CD1-CB 3.8Å; F61-C141 HydrophobicContact CE1-CB 3.89Å; F61-C141 WeakPolarHBondContact CE1-O 3.35Å; F62-C141 HydrophobicContact CE2-CB 4.3Å; F62-C141 HydrophobicContact CZ-CB 3.92Å; N137-C141 PolarHBondContact O-N 3.32Å; N137-C141 PolarHBondContact O-SG 3.12Å; Y138-C141 PolarHBondContact O-N 2.89Å; C141-M144 PolarHBondContact O-N 2.75Å; C141-A145 WeakPolarHBondContact O-CB 3.24Å; C141-A145 PolarHBondContact O-N 3.02Å |
| 142 | L | 96.1 | Very high | 94.8 | Very high | 67 Ų | 67 | 69.9 Ų | 69.9 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 177.8 | -176.3 | 64.1 | 0 | 0 | 0 | 111.8 | Y138 W139 F140 A145 A146 | Y138-L142 HydrophobicContact CE1-CD2 4.41Å; Y138-L142 WeakPolarHBondContact O-CB 3.48Å; Y138-L142 PolarHBondContact O-N 3.3Å; W139-L142 HydrophobicContact CE3-CD2 4.28Å; W139-L142 HydrophobicContact CZ3-CD2 4.29Å; W139-L142 PolarHBondContact O-N 3.37Å; F140-L142 VanDerWaalsContact C-N 3.35Å; F140-L142 PolarHBondContact O-N 3.3Å; L142-A145 PolarHBondContact O-N 2.93Å; L142-A146 VanDerWaalsContact O-CB 3.3Å; L142-A146 WeakPolarHBondContact O-CB 3.45Å; L142-A146 PolarHBondContact O-N 3.28Å |
| 143 | R | 97.4 | Very high | 94.8 | Very high | 180 Ų | 180 | 72.8 Ų | 72.8 | 68% | 0.679 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 177.4 | -73.4 | 172.6 | -173.5 | -179.6 | 2.8 | 111.9 | W139 F140 A146 F147 | W139-R143 WeakPolarHBondContact O-CB 3.49Å; W139-R143 VanDerWaalsContact O-CG 3.24Å; W139-R143 WeakPolarHBondContact O-CG 3.25Å; W139-R143 PolarHBondContact O-N 3.49Å; F140-R143 PolarHBondContact O-N 2.86Å; R143-A146 PolarHBondContact O-N 2.94Å; R143-F147 VanDerWaalsContact O-CB 3.26Å; R143-F147 WeakPolarHBondContact O-CB 3.35Å; R143-F147 PolarHBondContact O-N 2.82Å |
| 144 | M | 97.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 69.5 Ų | 69.5 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 178.6 | -66.4 | -51.5 | -64.7 | 0 | 0 | 111.8 | F62 V117 F140 C141 F147 S148 | F62-M144 HydrophobicContact CE1-CB 4.15Å; F62-M144 HydrophobicContact CZ-CB 4.13Å; V117-M144 HydrophobicContact CG1-CB 3.92Å; V117-M144 HydrophobicContact CG1-CG 4.34Å; V117-M144 HydrophobicContact CG2-CB 4.19Å; V117-M144 HydrophobicContact CG2-CE 3.53Å; F140-M144 HydrophobicContact CD1-CG 4.04Å; F140-M144 HydrophobicContact CD2-CG 4.46Å; F140-M144 HydrophobicContact CE1-CG 3.6Å; F140-M144 HydrophobicContact CE1-SD 4.49Å; F140-M144 HydrophobicContact CE2-CG 4.06Å; F140-M144 HydrophobicContact CE2-SD 4.1Å; F140-M144 HydrophobicContact CG-CG 4.45Å; F140-M144 HydrophobicContact CZ-CG 3.61Å; F140-M144 HydrophobicContact CZ-SD 3.9Å; F140-M144 WeakPolarHBondContact O-CG 3.22Å; F140-M144 PolarHBondContact O-N 2.79Å; C141-M144 PolarHBondContact O-N 2.75Å; M144-F147 PolarHBondContact O-N 2.91Å; M144-S148 PolarHBondContact O-N 2.98Å; M144-S148 PolarHBondContact O-OG 3.06Å; M144-S148 VanDerWaalsContact O-OG 3.05Å |
| 145 | A | 96.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F61 F62 C141 L142 F147 S148 W149 | F61-A145 HydrophobicContact CE1-CB 3.73Å; F61-A145 HydrophobicContact CZ-CB 4.03Å; F62-A145 HydrophobicContact CE1-CB 4.24Å; C141-A145 WeakPolarHBondContact O-CB 3.24Å; C141-A145 PolarHBondContact O-N 3.02Å; L142-A145 PolarHBondContact O-N 2.93Å; A145-F147 VanDerWaalsContact C-N 3.3Å; A145-F147 PolarHBondContact O-N 3.47Å; A145-S148 PolarHBondContact O-N 3.39Å; A145-W149 PolarHBondContact O-N 3.01Å |
| 146 | A | 97.2 | Very high | 94.4 | Very high | 55 Ų | 55 | 62.3 Ų | 62.3 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L142 R143 W149 F150 | L142-A146 VanDerWaalsContact O-CB 3.3Å; L142-A146 WeakPolarHBondContact O-CB 3.45Å; L142-A146 PolarHBondContact O-N 3.28Å; R143-A146 PolarHBondContact O-N 2.94Å; A146-W149 PolarHBondContact O-N 2.66Å; A146-F150 WeakPolarHBondContact O-CB 3.29Å; A146-F150 PolarHBondContact O-N 3.39Å |
| 147 | F | 96.8 | Very high | 94 | Very high | 112 Ų | 112 | 66 Ų | 66 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 174 | 178.1 | -98.8 | 0 | 0 | 0 | 111.5 | R143 M144 A145 W149 F150 T151 | R143-F147 VanDerWaalsContact O-CB 3.26Å; R143-F147 WeakPolarHBondContact O-CB 3.35Å; R143-F147 PolarHBondContact O-N 2.82Å; M144-F147 PolarHBondContact O-N 2.91Å; A145-F147 VanDerWaalsContact C-N 3.3Å; A145-F147 PolarHBondContact O-N 3.47Å; F147-W149 VanDerWaalsContact C-N 3.35Å; F147-W149 PolarHBondContact O-N 3.24Å; F147-F150 PolarHBondContact O-N 2.73Å; F147-T151 WeakPolarHBondContact O-CB 3.28Å; F147-T151 PolarHBondContact O-N 2.91Å; F147-T151 PolarHBondContact O-OG1 3.42Å; F147-T151 VanDerWaalsContact O-OG1 3.07Å |
| 148 | S | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 178.6 | -62.3 | 0 | 0 | 0 | 0 | 113 | T110 L113 M144 A145 G152 | T110-S148 PolarHBondContact OG1-O 3.24Å; L113-S148 WeakPolarHBondContact CB-OG 3.29Å; M144-S148 PolarHBondContact O-N 2.98Å; M144-S148 PolarHBondContact O-OG 3.06Å; M144-S148 VanDerWaalsContact O-OG 3.05Å; A145-S148 PolarHBondContact O-N 3.39Å; S148-G152 PolarHBondContact O-N 3Å; S148-G152 VanDerWaalsContact O-N 3.09Å |
| 149 | W | 96.8 | Very high | 93 | Very high | 49 Ų | 49 | 59.9 Ų | 59.9 | 19% | 0.186 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.2 | -50.1 | 176.3 | -79.8 | 110.1 | 0 | 0 | 0 | 111.4 | N65 I68 L69 L107 T110 A145 A146 F147 T151 G152 F153 | N65-W149 PolarHBondContact OD1-NE1 3Å; I68-W149 HydrophobicContact CG2-CZ2 4.4Å; L69-W149 HydrophobicContact CB-CH2 4.3Å; L107-W149 HydrophobicContact CD2-CH2 3.78Å; L107-W149 HydrophobicContact CD2-CZ3 3.55Å; T110-W149 HydrophobicContact CG2-CD2 3.77Å; T110-W149 HydrophobicContact CG2-CE3 3.91Å; T110-W149 HydrophobicContact CG2-CG 4.11Å; T110-W149 HydrophobicContact CG2-CZ3 4.4Å; A145-W149 PolarHBondContact O-N 3.01Å; A146-W149 PolarHBondContact O-N 2.66Å; F147-W149 VanDerWaalsContact C-N 3.35Å; F147-W149 PolarHBondContact O-N 3.24Å; W149-T151 PolarHBondContact O-N 3.27Å; W149-G152 PolarHBondContact O-N 3.25Å; W149-F153 HydrophobicContact CE3-CD2 4.18Å; W149-F153 AromaticContact CE3-CE2 3.48Å; W149-F153 HydrophobicContact CE3-CE2 3.48Å; W149-F153 VanDerWaalsContact CE3-CE2 3.48Å; W149-F153 HydrophobicContact CE3-CZ 4.26Å; W149-F153 AromaticContact CZ3-CE2 3.95Å; W149-F153 HydrophobicContact CZ3-CE2 3.95Å; W149-F153 HydrophobicContact CZ3-CZ 4.29Å; W149-F153 WeakPolarHBondContact O-CD2 3.27Å; W149-F153 PolarHBondContact O-N 3.32Å |
| 150 | F | 96.5 | Very high | 92.2 | Very high | 144 Ų | 144 | 52.2 Ų | 52.2 | 63% | 0.632 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.9 | -46.6 | -178.8 | 178.8 | -98.3 | 0 | 0 | 0 | 112.1 | A146 F147 S154 | A146-F150 WeakPolarHBondContact O-CB 3.29Å; A146-F150 PolarHBondContact O-N 3.39Å; F147-F150 PolarHBondContact O-N 2.73Å; F150-S154 VanDerWaalsContact O-CB 3.27Å; F150-S154 WeakPolarHBondContact O-CB 3.44Å; F150-S154 PolarHBondContact O-N 3.4Å; F150-S154 PolarHBondContact O-OG 3.22Å |
| 151 | T | 93.4 | Very high | 91.4 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 22% | 0.221 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 177.2 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | L113 F147 W149 S154 N155 I206 | L113-T151 HydrophobicContact CD1-CG2 3.66Å; F147-T151 WeakPolarHBondContact O-CB 3.28Å; F147-T151 PolarHBondContact O-N 2.91Å; F147-T151 PolarHBondContact O-OG1 3.42Å; F147-T151 VanDerWaalsContact O-OG1 3.07Å; W149-T151 PolarHBondContact O-N 3.27Å; T151-S154 PolarHBondContact O-N 2.91Å; T151-N155 VanDerWaalsContact O-CB 3.23Å; T151-N155 WeakPolarHBondContact O-CB 3.36Å; T151-N155 PolarHBondContact O-N 3.38Å; T151-I206 HydrophobicContact CG2-CD1 4.43Å |
| 152 | G | 91.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -49.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A106 T110 S148 W149 S154 N155 S156 | A106-G152 WeakPolarHBondContact CA-O 3.05Å; T110-G152 WeakPolarHBondContact OG1-CA 3.43Å; S148-G152 PolarHBondContact O-N 3Å; S148-G152 VanDerWaalsContact O-N 3.09Å; W149-G152 PolarHBondContact O-N 3.25Å; G152-S154 PolarHBondContact O-N 3.29Å; G152-N155 PolarHBondContact O-N 3.41Å; G152-S156 WeakPolarHBondContact O-CB 3.24Å; G152-S156 PolarHBondContact O-N 3.03Å |
| 153 | F | 92.9 | Very high | 89 | Confident | 101 Ų | 101 | 50.6 Ų | 50.6 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 175.4 | -80.8 | -70.2 | 0 | 0 | 0 | 112.4 | A106 W149 S156 V157 | A106-F153 HydrophobicContact CB-CD1 3.77Å; A106-F153 HydrophobicContact CB-CE1 4.01Å; A106-F153 HydrophobicContact CB-CG 4.28Å; W149-F153 HydrophobicContact CE3-CD2 4.18Å; W149-F153 AromaticContact CE3-CE2 3.48Å; W149-F153 HydrophobicContact CE3-CE2 3.48Å; W149-F153 VanDerWaalsContact CE3-CE2 3.48Å; W149-F153 HydrophobicContact CE3-CZ 4.26Å; W149-F153 AromaticContact CZ3-CE2 3.95Å; W149-F153 HydrophobicContact CZ3-CE2 3.95Å; W149-F153 HydrophobicContact CZ3-CZ 4.29Å; W149-F153 WeakPolarHBondContact O-CD2 3.27Å; W149-F153 PolarHBondContact O-N 3.32Å; F153-S156 WeakPolarHBondContact O-CB 3.47Å; F153-S156 PolarHBondContact O-N 3.01Å; F153-V157 WeakPolarHBondContact O-CG2 3.19Å; F153-V157 PolarHBondContact O-N 3.46Å |
| 154 | S | 92 | Very high | 87.7 | Confident | 49 Ų | 49 | 44 Ų | 44 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | F150 T151 G152 S156 V157 L158 | F150-S154 VanDerWaalsContact O-CB 3.27Å; F150-S154 WeakPolarHBondContact O-CB 3.44Å; F150-S154 PolarHBondContact O-N 3.4Å; F150-S154 PolarHBondContact O-OG 3.22Å; T151-S154 PolarHBondContact O-N 2.91Å; G152-S154 PolarHBondContact O-N 3.29Å; S154-S156 VanDerWaalsContact C-N 3.33Å; S154-S156 PolarHBondContact O-N 2.82Å; S154-V157 PolarHBondContact O-N 3.39Å; S154-L158 WeakPolarHBondContact O-CB 3.38Å; S154-L158 PolarHBondContact O-N 3.21Å |
| 155 | N | 88 | Confident | 86.3 | Confident | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 175.3 | 176.8 | 72.6 | 0 | 0 | 0 | 111.3 | A109 T151 G152 L158 Q159 | A109-N155 HydrophobicContact CB-CB 4.44Å; T151-N155 VanDerWaalsContact O-CB 3.23Å; T151-N155 WeakPolarHBondContact O-CB 3.36Å; T151-N155 PolarHBondContact O-N 3.38Å; G152-N155 PolarHBondContact O-N 3.41Å; N155-L158 PolarHBondContact O-N 3.02Å; N155-Q159 PolarHBondContact ND2-NE2 3.27Å; N155-Q159 WeakPolarHBondContact O-CB 3.3Å; N155-Q159 WeakPolarHBondContact O-CG 3.31Å; N155-Q159 PolarHBondContact O-N 2.94Å; N155-Q159 PolarHBondContact OD1-NE2 3.27Å |
| 156 | S | 88 | Confident | 84.7 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 177 | 177.2 | 0 | 0 | 0 | 0 | 113.1 | I102 G152 F153 S154 L158 S160 | I102-S156 VanDerWaalsContact CA-OG 3.31Å; I102-S156 WeakPolarHBondContact CA-OG 3.21Å; I102-S156 WeakPolarHBondContact CG2-OG 3.49Å; I102-S156 PolarHBondContact O-OG 2.73Å; G152-S156 WeakPolarHBondContact O-CB 3.24Å; G152-S156 PolarHBondContact O-N 3.03Å; F153-S156 WeakPolarHBondContact O-CB 3.47Å; F153-S156 PolarHBondContact O-N 3.01Å; S154-S156 VanDerWaalsContact C-N 3.33Å; S154-S156 PolarHBondContact O-N 2.82Å; S156-L158 VanDerWaalsContact C-N 3.32Å; S156-L158 PolarHBondContact O-N 3.5Å; S156-S160 WeakPolarHBondContact O-CB 3.46Å; S156-S160 PolarHBondContact O-N 3.33Å; S156-S160 PolarHBondContact O-OG 2.61Å |
| 157 | V | 87.7 | Confident | 82.9 | Confident | 85 Ų | 85 | 50.2 Ų | 50.2 | 52% | 0.515 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 177.9 | 171 | 0 | 0 | 0 | 0 | 110.7 | F153 S154 S161 | F153-V157 WeakPolarHBondContact O-CG2 3.19Å; F153-V157 PolarHBondContact O-N 3.46Å; S154-V157 PolarHBondContact O-N 3.39Å; V157-S161 WeakPolarHBondContact O-CB 3.35Å; V157-S161 PolarHBondContact O-N 3.02Å; V157-S161 PolarHBondContact O-OG 3.18Å |
| 158 | L | 85.2 | Confident | 81.4 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 38% | 0.377 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.9 | -55.6 | 178 | -177.9 | 62.5 | 0 | 0 | 0 | 111.6 | S154 N155 S156 S160 S161 L162 F202 | S154-L158 WeakPolarHBondContact O-CB 3.38Å; S154-L158 PolarHBondContact O-N 3.21Å; N155-L158 PolarHBondContact O-N 3.02Å; S156-L158 VanDerWaalsContact C-N 3.32Å; S156-L158 PolarHBondContact O-N 3.5Å; L158-S160 VanDerWaalsContact C-N 3.31Å; L158-S160 PolarHBondContact O-N 3.36Å; L158-S161 PolarHBondContact O-N 2.91Å; L158-L162 HydrophobicContact CD1-CD1 4.45Å; L158-L162 HydrophobicContact CG-CD1 4.33Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 3.49Å; L158-F202 HydrophobicContact CD2-CD2 4.5Å; L158-F202 HydrophobicContact CD2-CE1 3.9Å; L158-F202 HydrophobicContact CD2-CE2 3.81Å; L158-F202 HydrophobicContact CD2-CZ 3.48Å; L158-F202 VanDerWaalsContact CD2-CZ 3.48Å |
| 159 | Q | 78.9 | Confident | 79.6 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.7 | -39.9 | -179 | -68 | -165.9 | 30.4 | 0 | 0 | 112 | L105 N155 T163 L199 | L105-Q159 HydrophobicContact CD2-CB 4.12Å; L105-Q159 HydrophobicContact CD2-CG 4.43Å; N155-Q159 PolarHBondContact ND2-NE2 3.27Å; N155-Q159 WeakPolarHBondContact O-CB 3.3Å; N155-Q159 WeakPolarHBondContact O-CG 3.31Å; N155-Q159 PolarHBondContact O-N 2.94Å; N155-Q159 PolarHBondContact OD1-NE2 3.27Å; Q159-T163 WeakPolarHBondContact O-CB 3.37Å; Q159-T163 PolarHBondContact O-N 3.42Å; Q159-T163 VanDerWaalsContact O-N 3.08Å; Q159-T163 PolarHBondContact O-OG1 3.19Å; Q159-L199 HydrophobicContact CB-CD2 3.7Å; Q159-L199 HydrophobicContact CG-CD2 3.71Å |
| 160 | S | 78.7 | Confident | 77.4 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 176.8 | -58 | 0 | 0 | 0 | 0 | 111.4 | I102 S156 L158 L162 T163 L164 | I102-S160 WeakPolarHBondContact CG1-OG 3.48Å; S156-S160 WeakPolarHBondContact O-CB 3.46Å; S156-S160 PolarHBondContact O-N 3.33Å; S156-S160 PolarHBondContact O-OG 2.61Å; L158-S160 VanDerWaalsContact C-N 3.31Å; L158-S160 PolarHBondContact O-N 3.36Å; S160-L162 PolarHBondContact O-N 3.49Å; S160-T163 PolarHBondContact O-N 2.83Å; S160-L164 VanDerWaalsContact O-CB 3.25Å; S160-L164 WeakPolarHBondContact O-CB 3.27Å; S160-L164 WeakPolarHBondContact O-CG 3.49Å; S160-L164 PolarHBondContact O-N 3.37Å |
| 161 | S | 77.7 | Confident | 75.2 | Confident | 51 Ų | 51 | 53.8 Ų | 53.8 | 36% | 0.357 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | V157 L158 T163 N165 | V157-S161 WeakPolarHBondContact O-CB 3.35Å; V157-S161 PolarHBondContact O-N 3.02Å; V157-S161 PolarHBondContact O-OG 3.18Å; L158-S161 PolarHBondContact O-N 2.91Å; S161-T163 VanDerWaalsContact C-N 3.28Å; S161-T163 PolarHBondContact O-N 3.21Å; S161-N165 WeakPolarHBondContact O-CB 3.49Å; S161-N165 PolarHBondContact O-N 3.21Å; S161-N165 PolarHBondContact O-ND2 3.46Å |
| 162 | L | 72.5 | Confident | 73.3 | Confident | 40 Ų | 40 | 58.6 Ų | 58.6 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 174.6 | -68.2 | 169.8 | 0 | 0 | 0 | 111.1 | L158 S160 I195 E198 | L158-L162 HydrophobicContact CD1-CD1 4.45Å; L158-L162 HydrophobicContact CG-CD1 4.33Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 3.49Å; S160-L162 PolarHBondContact O-N 3.49Å; L162-I195 HydrophobicContact CB-CG2 4.36Å; L162-I195 WeakPolarHBondContact O-CD1 3.48Å; L162-E198 HydrophobicContact CD1-CG 4.02Å |
| 163 | T | 68 | Low | 71.2 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.1 | -39.5 | -177.8 | -53.3 | 0 | 0 | 0 | 0 | 113.1 | Q159 S160 S161 V181 L184 | Q159-T163 WeakPolarHBondContact O-CB 3.37Å; Q159-T163 PolarHBondContact O-N 3.42Å; Q159-T163 VanDerWaalsContact O-N 3.08Å; Q159-T163 PolarHBondContact O-OG1 3.19Å; S160-T163 PolarHBondContact O-N 2.83Å; S161-T163 VanDerWaalsContact C-N 3.28Å; S161-T163 PolarHBondContact O-N 3.21Å; T163-V181 HydrophobicContact CG2-CG1 4.15Å; T163-V181 WeakPolarHBondContact OG1-CG1 3.13Å; T163-L184 HydrophobicContact CG2-CB 3.57Å; T163-L184 HydrophobicContact CG2-CD1 4.12Å; T163-L184 HydrophobicContact CG2-CG 4.43Å |
| 164 | L | 69.5 | Low | 69.1 | Low | 40 Ų | 40 | 61 Ų | 61 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -81.8 | -22.7 | -172.9 | -65.1 | 171.8 | 0 | 0 | 0 | 113.6 | V98 S160 M166 | V98-L164 HydrophobicContact CG1-CD1 3.67Å; V98-L164 HydrophobicContact CG1-CD2 4.29Å; V98-L164 HydrophobicContact CG2-CD2 3.66Å; S160-L164 VanDerWaalsContact O-CB 3.25Å; S160-L164 WeakPolarHBondContact O-CB 3.27Å; S160-L164 WeakPolarHBondContact O-CG 3.49Å; S160-L164 PolarHBondContact O-N 3.37Å; L164-M166 VanDerWaalsContact C-N 3.26Å; L164-M166 PolarHBondContact O-N 3.29Å |
| 165 | N | 68.1 | Low | 67 | Low | 135 Ų | 135 | 61.6 Ų | 61.6 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -3.4 | 177.6 | -75.1 | -49.3 | 0 | 0 | 0 | 113.7 | S161 | S161-N165 WeakPolarHBondContact O-CB 3.49Å; S161-N165 PolarHBondContact O-N 3.21Å; S161-N165 PolarHBondContact O-ND2 3.46Å |
| 166 | M | 63.3 | Low | 65 | Low | 32 Ų | 32 | 62.8 Ų | 62.8 | 16% | 0.158 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -74.4 | 139.2 | 178.6 | -85.3 | -67.4 | -144.4 | 0 | 0 | 112.8 | L164 R168 A190 I195 | L164-M166 VanDerWaalsContact C-N 3.26Å; L164-M166 PolarHBondContact O-N 3.29Å; M166-R168 PolarHBondContact O-N 3.27Å; M166-A190 HydrophobicContact CE-CB 4.41Å; M166-A190 HydrophobicContact SD-CB 4.22Å; M166-I195 HydrophobicContact CE-CB 4.39Å; M166-I195 HydrophobicContact CE-CD1 3.2Å; M166-I195 HydrophobicContact CE-CG1 3.7Å; M166-I195 HydrophobicContact CG-CD1 3.46Å; M166-I195 VanDerWaalsContact CG-CD1 3.46Å; M166-I195 HydrophobicContact SD-CD1 3.75Å |
| 167 | P | 58.5 | Low | 63 | Low | 74 Ų | 74 | 63.6 Ų | 63.6 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 129.1 | 175.6 | 26.4 | -32 | 0 | 0 | 0 | 110.9 | S188 C189 A190 | P167-S188 WeakPolarHBondContact O-CA 3.36Å; P167-C189 PolarHBondContact O-N 3.18Å; P167-A190 HydrophobicContact CG-CB 4.04Å |
| 168 | R | 64.9 | Low | 61.2 | Low | 98 Ų | 98 | 59.9 Ų | 59.9 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -100.5 | 141.1 | -175.8 | -61.1 | -173.3 | -177.1 | 115.8 | 3.8 | 111.7 | Y94 M166 G170 C189 | Y94-R168 VanDerWaalsContact CE2-CZ 3.48Å; Y94-R168 VanDerWaalsContact CZ-NH1 3.31Å; Y94-R168 PolarHBondContact OH-NH1 2.95Å; Y94-R168 PolarHBondContact OH-NH2 3.39Å; M166-R168 PolarHBondContact O-N 3.27Å; R168-G170 PolarHBondContact O-N 3.47Å; R168-C189 VanDerWaalsContact C-SG 3.53Å |
| 169 | C | 59.4 | Low | 59.7 | Low | 68 Ų | 68 | 56.6 Ų | 56.6 | 46% | 0.459 | 31% | 0.306 | S | S | . | . | trans | -93.2 | 23.3 | -172.8 | -106.8 | 0 | 0 | 0 | 0 | 115.3 | H171 L187 C189 | C169-H171 PolarHBondContact O-N 3Å; C169-H171 PolarHBondContact O-ND1 3.5Å; C169-L187 PolarHBondContact N-O 3.12Å; C169-L187 VanDerWaalsContact N-O 3.14Å; C169-C189 WeakPolarHBondContact CA-SG 3.48Å; C169-C189 HydrophobicContact CB-CB 4.1Å; C169-C189 WeakPolarHBondContact CB-SG 3.38Å; C169-C189 PolarHBondContact N-SG 3.38Å; C169-C189 WeakPolarHBondContact SG-CA 3.45Å; C169-C189 WeakPolarHBondContact SG-CB 3.36Å; C169-C189 CovalentContact SG-SG 2Å; C169-C189 PolarHBondContact SG-SG 3.34Å | ||
| 170 | G | 51.3 | Low | 58.6 | Low | 63 Ų | 63 | 56.9 Ų | 56.9 | 65% | 0.649 | 31% | 0.307 | S | S | * | . | trans | 64.6 | 8.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | R168 | R168-G170 PolarHBondContact O-N 3.47Š| ||
| 171 | H | 50.4 | Low | 57.4 | Low | 150 Ų | 150 | 57.6 Ų | 57.6 | 69% | 0.694 | 31% | 0.311 | S | S | * | . | trans | -77.8 | 130.1 | 175.6 | -84.4 | 61.5 | 0 | 0 | 0 | 111.1 | C169 L187 | C169-H171 PolarHBondContact O-N 3Å; C169-H171 PolarHBondContact O-ND1 3.5Å; H171-L187 HydrophobicContact CB-CD2 4.43Å | ||
| 172 | Q | 53.3 | Low | 56.2 | Low | 137 Ų | 137 | 58.4 Ų | 58.4 | 64% | 0.64 | 32% | 0.315 | S | S | * | . | trans | -102.8 | 3.2 | -159.7 | -79.9 | 177.2 | -40.4 | 0 | 0 | 115.9 | ||||
| 173 | E | 46.8 | Very low | 55.3 | Low | 144 Ų | 144 | 57.1 Ų | 57.1 | 67% | 0.673 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126 | -172.8 | -66.2 | -175 | 172.7 | 0 | 0 | 112.6 | ||
| 174 | V | 49.9 | Very low | 54.6 | Low | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 91 | -175.9 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | F12 I13 H176 V183 L187 | F12-V174 HydrophobicContact CD1-CG2 3.7Å; F12-V174 HydrophobicContact CE1-CG2 4.16Å; F12-V174 HydrophobicContact CG-CG2 4.49Å; I13-V174 CarbonylContact O-C 3.47Å; I13-V174 PolarHBondContact O-N 3.27Å; V174-H176 VanDerWaalsContact C-N 3.3Å; V174-H176 PolarHBondContact O-N 3.13Å; V174-V183 HydrophobicContact CB-CG1 4.45Å; V174-V183 HydrophobicContact CG1-CG1 3.17Å; V174-L187 HydrophobicContact CG2-CD1 3.79Å; V174-L187 HydrophobicContact CG2-CD2 4.47Å |
| 175 | D | 46.5 | Very low | 53.9 | Low | 61 Ų | 61 | 56 Ų | 56 | 33% | 0.326 | 30% | 0.303 | S | S | . | . | trans | -82.2 | 66.2 | -179.6 | -176.2 | 26.5 | 0 | 0 | 0 | 113.6 | L15 G16 K272 | L15-D175 HydrophobicContact CB-CB 4.06Å; L15-D175 WeakPolarHBondContact CB-OD1 3.42Å; L15-D175 HydrophobicContact CD1-CB 4.34Å; G16-D175 PolarHBondContact N-OD1 2.91Å; D175-K272 WeakPolarHBondContact O-CE 3.26Å; D175-K272 PolarHBondContact O-NZ 3.14Å; D175-K272 IonicContact OD1-NZ 3.94Å; D175-K272 PolarHBondContact OD1-NZ 2.77Å; D175-K272 IonicContact OD2-NZ 2.83Å; D175-K272 PolarHBondContact OD2-NZ 2.95Å | ||
| 176 | H | 45.7 | Very low | 53.1 | Low | 41 Ų | 41 | 57.3 Ų | 57.3 | 19% | 0.19 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -142.3 | 161.2 | 173 | -100.9 | -92.3 | 0 | 0 | 0 | 112.9 | L14 V174 V183 | L14-H176 WeakPolarHBondContact CD2-O 3.4Å; L14-H176 WeakPolarHBondContact CG-O 3.23Å; V174-H176 VanDerWaalsContact C-N 3.3Å; V174-H176 PolarHBondContact O-N 3.13Å; H176-V183 HydrophobicContact CB-CG1 4.21Å; H176-V183 HydrophobicContact CB-CG2 3.75Å |
| 177 | F | 45.9 | Very low | 52.6 | Low | 19 Ų | 19 | 56.9 Ų | 56.9 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -78 | -17.1 | -174.4 | -93.5 | -75.7 | 0 | 0 | 0 | 115.2 | L14 G16 F17 L27 M81 K272 | L14-F177 WeakPolarHBondContact CD2-O 3.38Å; G16-F177 VanDerWaalsContact C-CE2 3.47Å; G16-F177 VanDerWaalsContact CA-CE2 3.46Å; F17-F177 HydrophobicContact CB-CE2 4.46Å; F17-F177 HydrophobicContact CB-CZ 3.97Å; F17-F177 AromaticContact CD2-CE2 3.36Å; F17-F177 HydrophobicContact CD2-CE2 3.36Å; F17-F177 AromaticContact CD2-CZ 3.25Å; F17-F177 HydrophobicContact CD2-CZ 3.25Å; F17-F177 AromaticContact CE2-CE2 3.61Å; F17-F177 HydrophobicContact CE2-CE2 3.61Å; F17-F177 AromaticContact CE2-CZ 3.93Å; F17-F177 HydrophobicContact CE2-CZ 3.93Å; F17-F177 AromaticContact CG-CE2 3.95Å; F17-F177 HydrophobicContact CG-CE2 3.95Å; F17-F177 AromaticContact CG-CZ 3.85Å; F17-F177 HydrophobicContact CG-CZ 3.85Å; F17-F177 HydrophobicContact CZ-CE2 4.44Å; F17-F177 VanDerWaalsContact N-CZ 3.27Å; L27-F177 HydrophobicContact CD2-CE1 3.7Å; L27-F177 HydrophobicContact CD2-CZ 3.84Å; M81-F177 HydrophobicContact CE-CB 3.73Å; M81-F177 HydrophobicContact CE-CD1 3.58Å; M81-F177 HydrophobicContact CE-CG 4.02Å; F177-K272 HydrophobicContact CD2-CB 3.79Å; F177-K272 HydrophobicContact CD2-CD 4.06Å; F177-K272 HydrophobicContact CD2-CG 3.96Å; F177-K272 HydrophobicContact CE2-CB 4.14Å; F177-K272 HydrophobicContact CE2-CD 4.15Å; F177-K272 HydrophobicContact CE2-CG 4.44Å |
| 178 | F | 50.8 | Low | 52.4 | Low | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -156.1 | 162.8 | -176.7 | -69.6 | -52.6 | 0 | 0 | 0 | 109.5 | T77 M81 E180 L276 I280 | T77-F178 VanDerWaalsContact CB-CZ 3.41Å; T77-F178 HydrophobicContact CG2-CD1 4.26Å; T77-F178 HydrophobicContact CG2-CE1 3.78Å; T77-F178 HydrophobicContact CG2-CZ 3.89Å; M81-F178 HydrophobicContact CE-CD1 3.81Å; M81-F178 HydrophobicContact CE-CD2 3.7Å; M81-F178 HydrophobicContact CE-CE1 3.23Å; M81-F178 HydrophobicContact CE-CE2 3.1Å; M81-F178 HydrophobicContact CE-CG 4.07Å; M81-F178 HydrophobicContact CE-CZ 2.87Å; M81-F178 HydrophobicContact CG-CD1 4.32Å; M81-F178 HydrophobicContact CG-CE1 3.47Å; M81-F178 VanDerWaalsContact CG-CE1 3.47Å; M81-F178 HydrophobicContact CG-CZ 3.84Å; M81-F178 HydrophobicContact SD-CD1 4.47Å; M81-F178 HydrophobicContact SD-CE1 3.41Å; M81-F178 WeakPolarHBondContact SD-CE1 3.49Å; M81-F178 HydrophobicContact SD-CE2 3.88Å; M81-F178 HydrophobicContact SD-CZ 3.07Å; M81-F178 WeakPolarHBondContact SD-CZ 3.24Å; F178-E180 PolarHBondContact O-N 3.4Å; F178-L276 HydrophobicContact CE2-CD2 4.46Å; F178-I280 HydrophobicContact CE2-CD1 4.24Å; F178-I280 HydrophobicContact CZ-CD1 4.07Å |
| 179 | C | 54.1 | Low | 52.1 | Low | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | trans | -74.5 | 105.3 | 170.4 | -143.7 | 0 | 0 | 0 | 0 | 109.2 | C97 L101 | C97-C179 VanDerWaalsContact CA-SG 3.55Å; C97-C179 HydrophobicContact CB-CB 3.86Å; C97-C179 WeakPolarHBondContact CB-SG 3.11Å; C97-C179 WeakPolarHBondContact O-CB 3.46Å; C97-C179 PolarHBondContact O-SG 2.87Å; C97-C179 WeakPolarHBondContact SG-CB 3.13Å; C97-C179 CovalentContact SG-SG 2.02Å; C97-C179 PolarHBondContact SG-SG 2.85Å; L101-C179 HydrophobicContact CB-CB 4.15Å; L101-C179 VanDerWaalsContact CD1-O 3.26Å; L101-C179 WeakPolarHBondContact CD1-O 3.18Å | ||
| 180 | E | 55.5 | Low | 52.2 | Low | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | trans | -119 | 152.8 | 173.1 | -75.3 | -177.3 | 173.5 | 0 | 0 | 110.4 | F178 V183 L184 S275 Y278 | F178-E180 PolarHBondContact O-N 3.4Å; E180-V183 HydrophobicContact CB-CG2 4.29Å; E180-V183 VanDerWaalsContact O-CB 3.28Å; E180-V183 WeakPolarHBondContact O-CB 3.23Å; E180-V183 PolarHBondContact O-N 3.22Å; E180-L184 PolarHBondContact O-N 3.29Å; E180-S275 WeakPolarHBondContact OE1-CB 3.26Å; E180-S275 PolarHBondContact OE1-OG 3.14Å; E180-Y278 PolarHBondContact OE1-OH 3.31Å | ||
| 181 | V | 54 | Low | 52.7 | Low | 17 Ų | 17 | 53.7 Ų | 53.7 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -51.5 | -44.1 | -178 | -175.3 | 0 | 0 | 0 | 0 | 113.9 | L101 L105 T163 V183 L184 L185 L199 | L101-V181 HydrophobicContact CD1-CG2 3.81Å; L105-V181 HydrophobicContact CD1-CG2 3.72Å; L105-V181 HydrophobicContact CD2-CG2 4.27Å; L105-V181 HydrophobicContact CG-CG2 4.46Å; T163-V181 HydrophobicContact CG2-CG1 4.15Å; T163-V181 WeakPolarHBondContact OG1-CG1 3.13Å; V181-V183 PolarHBondContact O-N 2.91Å; V181-V183 VanDerWaalsContact O-N 3.16Å; V181-L184 PolarHBondContact O-N 2.89Å; V181-L185 HydrophobicContact CG1-CD1 3.99Å; V181-L185 HydrophobicContact CG1-CG 4.39Å; V181-L185 WeakPolarHBondContact O-CG 3.29Å; V181-L185 PolarHBondContact O-N 2.88Å; V181-L185 VanDerWaalsContact O-N 3.15Å; V181-L199 HydrophobicContact CG1-CD1 3.3Å; V181-L199 HydrophobicContact CG1-CD2 4.09Å; V181-L199 HydrophobicContact CG1-CG 4.3Å |
| 182 | P | 51.3 | Low | 53.4 | Low | 68 Ų | 68 | 47.7 Ų | 47.7 | 44% | 0.442 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.5 | -23.2 | -179.7 | -20.1 | 33.8 | 0 | 0 | 0 | 113.5 | K186 | P182-K186 PolarHBondContact O-N 3.41Å |
| 183 | V | 53.5 | Low | 54.1 | Low | 13 Ų | 13 | 47.9 Ų | 47.9 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -79.1 | -37.5 | -178.9 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | V174 H176 E180 V181 | V174-V183 HydrophobicContact CB-CG1 4.45Å; V174-V183 HydrophobicContact CG1-CG1 3.17Å; H176-V183 HydrophobicContact CB-CG1 4.21Å; H176-V183 HydrophobicContact CB-CG2 3.75Å; E180-V183 HydrophobicContact CB-CG2 4.29Å; E180-V183 VanDerWaalsContact O-CB 3.28Å; E180-V183 WeakPolarHBondContact O-CB 3.23Å; E180-V183 PolarHBondContact O-N 3.22Å; V181-V183 PolarHBondContact O-N 2.91Å; V181-V183 VanDerWaalsContact O-N 3.16Å |
| 184 | L | 54.8 | Low | 55.1 | Low | 11 Ų | 11 | 44.9 Ų | 44.9 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.8 | -35.9 | 175.8 | -81.2 | 151.3 | 0 | 0 | 0 | 112.6 | L101 T163 E180 V181 K186 L187 | L101-L184 HydrophobicContact CD2-CD1 3.38Å; T163-L184 HydrophobicContact CG2-CB 3.57Å; T163-L184 HydrophobicContact CG2-CD1 4.12Å; T163-L184 HydrophobicContact CG2-CG 4.43Å; E180-L184 PolarHBondContact O-N 3.29Å; V181-L184 PolarHBondContact O-N 2.89Å; L184-K186 VanDerWaalsContact C-N 3.33Å; L184-K186 PolarHBondContact O-N 3.23Å; L184-L187 PolarHBondContact O-N 3.42Å |
| 185 | L | 52.9 | Low | 55.9 | Low | 10 Ų | 10 | 45.4 Ų | 45.4 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.9 | -34.9 | 177.3 | -68.9 | 170.5 | 0 | 0 | 0 | 112.3 | V181 L187 S188 T192 I195 E196 L199 | V181-L185 HydrophobicContact CG1-CD1 3.99Å; V181-L185 HydrophobicContact CG1-CG 4.39Å; V181-L185 WeakPolarHBondContact O-CG 3.29Å; V181-L185 PolarHBondContact O-N 2.88Å; V181-L185 VanDerWaalsContact O-N 3.15Å; L185-L187 PolarHBondContact O-N 3.28Å; L185-S188 PolarHBondContact O-N 2.83Å; L185-S188 PolarHBondContact O-OG 3.44Å; L185-T192 HydrophobicContact CB-CG2 4.11Å; L185-T192 HydrophobicContact CD2-CG2 4.28Å; L185-T192 WeakPolarHBondContact O-CG2 3.45Å; L185-I195 HydrophobicContact CD2-CB 4.41Å; L185-I195 HydrophobicContact CD2-CG2 3.88Å; L185-E196 HydrophobicContact CD1-CG 3.77Å; L185-L199 HydrophobicContact CD1-CD1 3.59Å |
| 186 | K | 53.3 | Low | 56.8 | Low | 163 Ų | 163 | 46.8 Ų | 46.8 | 71% | 0.709 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -12.2 | 175 | -77.4 | 178.7 | -179.8 | 172.4 | 0 | 114.7 | P182 L184 | P182-K186 PolarHBondContact O-N 3.41Å; L184-K186 VanDerWaalsContact C-N 3.33Å; L184-K186 PolarHBondContact O-N 3.23Å |
| 187 | L | 52.3 | Low | 58 | Low | 24 Ų | 24 | 47.6 Ų | 47.6 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -3.9 | -179.7 | -63.4 | 166.2 | 0 | 0 | 0 | 113.4 | F12 C169 H171 V174 L184 L185 | F12-L187 HydrophobicContact CE1-CD1 4.23Å; C169-L187 PolarHBondContact N-O 3.12Å; C169-L187 VanDerWaalsContact N-O 3.14Å; H171-L187 HydrophobicContact CB-CD2 4.43Å; V174-L187 HydrophobicContact CG2-CD1 3.79Å; V174-L187 HydrophobicContact CG2-CD2 4.47Å; L184-L187 PolarHBondContact O-N 3.42Å; L185-L187 PolarHBondContact O-N 3.28Å |
| 188 | S | 54.8 | Low | 59.2 | Low | 21 Ų | 21 | 50.4 Ų | 50.4 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -83.9 | 145.5 | -177 | 66.8 | 0 | 0 | 0 | 0 | 113 | P167 L185 A190 T192 | P167-S188 WeakPolarHBondContact O-CA 3.36Å; L185-S188 PolarHBondContact O-N 2.83Å; L185-S188 PolarHBondContact O-OG 3.44Å; S188-A190 VanDerWaalsContact C-N 3.34Å; S188-T192 WeakPolarHBondContact OG-CG2 3.23Å |
| 189 | C | 57.7 | Low | 60.2 | Low | 72 Ų | 72 | 50.7 Ų | 50.7 | 49% | 0.486 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -77.5 | -17.8 | 175.4 | -60.1 | 0 | 0 | 0 | 0 | 114.5 | P167 R168 C169 | P167-C189 PolarHBondContact O-N 3.18Å; R168-C189 VanDerWaalsContact C-SG 3.53Å; C169-C189 WeakPolarHBondContact CA-SG 3.48Å; C169-C189 HydrophobicContact CB-CB 4.1Å; C169-C189 WeakPolarHBondContact CB-SG 3.38Å; C169-C189 PolarHBondContact N-SG 3.38Å; C169-C189 WeakPolarHBondContact SG-CA 3.45Å; C169-C189 WeakPolarHBondContact SG-CB 3.36Å; C169-C189 CovalentContact SG-SG 2Å; C169-C189 PolarHBondContact SG-SG 3.34Å |
| 190 | A | 61.3 | Low | 61 | Low | 41 Ų | 41 | 55.6 Ų | 55.6 | 34% | 0.339 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -98.3 | 162.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M166 P167 S188 T192 | M166-A190 HydrophobicContact CE-CB 4.41Å; M166-A190 HydrophobicContact SD-CB 4.22Å; P167-A190 HydrophobicContact CG-CB 4.04Å; S188-A190 VanDerWaalsContact C-N 3.34Å; A190-T192 PolarHBondContact O-N 3.08Å; A190-T192 VanDerWaalsContact O-N 3.14Å |
| 191 | D | 62.6 | Low | 62 | Low | 101 Ų | 101 | 60.6 Ų | 60.6 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | trans | -61.2 | 115.7 | 173.7 | -167.9 | 1 | 0 | 0 | 0 | 109.9 | K193 P194 | D191-K193 WeakPolarHBondContact OD1-CB 3.34Å; D191-K193 WeakPolarHBondContact OD1-CD 3.48Å; D191-K193 WeakPolarHBondContact OD1-CG 3.27Å; D191-K193 PolarHBondContact OD1-N 2.94Å; D191-P194 WeakPolarHBondContact O-CD 3.42Å | ||
| 192 | T | 64 | Low | 63.2 | Low | 24 Ų | 24 | 62.1 Ų | 62.1 | 15% | 0.147 | 33% | 0.329 | C | S | . | . | trans | -82 | -16.2 | -176.4 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | L185 S188 A190 P194 I195 E196 | L185-T192 HydrophobicContact CB-CG2 4.11Å; L185-T192 HydrophobicContact CD2-CG2 4.28Å; L185-T192 WeakPolarHBondContact O-CG2 3.45Å; S188-T192 WeakPolarHBondContact OG-CG2 3.23Å; A190-T192 PolarHBondContact O-N 3.08Å; A190-T192 VanDerWaalsContact O-N 3.14Å; T192-P194 VanDerWaalsContact C-CD 3.48Å; T192-I195 PolarHBondContact O-N 3.36Å; T192-E196 VanDerWaalsContact CB-OE1 3.31Å; T192-E196 WeakPolarHBondContact CB-OE1 3.4Å; T192-E196 WeakPolarHBondContact O-CG 3.39Å; T192-E196 PolarHBondContact O-N 3.06Å; T192-E196 PolarHBondContact OG1-OE1 2.97Å | ||
| 193 | K | 67.4 | Low | 64.2 | Low | 142 Ų | 142 | 59.6 Ų | 59.6 | 62% | 0.617 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -48.6 | -45.4 | -175.4 | -71.2 | 175.6 | -175.6 | 175.4 | 0 | 115.5 | D191 E196 A197 | D191-K193 WeakPolarHBondContact OD1-CB 3.34Å; D191-K193 WeakPolarHBondContact OD1-CD 3.48Å; D191-K193 WeakPolarHBondContact OD1-CG 3.27Å; D191-K193 PolarHBondContact OD1-N 2.94Å; K193-E196 PolarHBondContact O-N 3.39Å; K193-A197 WeakPolarHBondContact O-CB 3.31Å; K193-A197 PolarHBondContact O-N 2.92Å |
| 194 | P | 68 | Low | 65.4 | Low | 81 Ų | 81 | 60.6 Ų | 60.6 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 178.9 | 23.1 | -32.8 | 0 | 0 | 0 | 112.7 | D191 T192 A197 E198 | D191-P194 WeakPolarHBondContact O-CD 3.42Å; T192-P194 VanDerWaalsContact C-CD 3.48Å; P194-A197 PolarHBondContact O-N 3.41Å; P194-E198 WeakPolarHBondContact O-CB 3.49Å; P194-E198 PolarHBondContact O-N 2.98Å |
| 195 | I | 67.6 | Low | 66.8 | Low | 20 Ų | 20 | 63.2 Ų | 63.2 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.3 | -39.7 | 178 | -62.8 | -166.9 | 0 | 0 | 0 | 110.8 | L162 M166 L185 T192 A197 E198 L199 | L162-I195 HydrophobicContact CB-CG2 4.36Å; L162-I195 WeakPolarHBondContact O-CD1 3.48Å; M166-I195 HydrophobicContact CE-CB 4.39Å; M166-I195 HydrophobicContact CE-CD1 3.2Å; M166-I195 HydrophobicContact CE-CG1 3.7Å; M166-I195 HydrophobicContact CG-CD1 3.46Å; M166-I195 VanDerWaalsContact CG-CD1 3.46Å; M166-I195 HydrophobicContact SD-CD1 3.75Å; L185-I195 HydrophobicContact CD2-CB 4.41Å; L185-I195 HydrophobicContact CD2-CG2 3.88Å; T192-I195 PolarHBondContact O-N 3.36Å; I195-A197 VanDerWaalsContact C-N 3.3Å; I195-A197 PolarHBondContact O-N 3.42Å; I195-E198 PolarHBondContact O-N 2.87Å; I195-L199 HydrophobicContact CG2-CD1 3.72Å; I195-L199 HydrophobicContact CG2-CG 4.12Å; I195-L199 WeakPolarHBondContact O-CB 3.35Å; I195-L199 WeakPolarHBondContact O-CD1 3.4Å; I195-L199 WeakPolarHBondContact O-CG 3.44Å; I195-L199 PolarHBondContact O-N 3.02Å |
| 196 | E | 66 | Low | 68.3 | Low | 89 Ų | 89 | 64 Ų | 64 | 42% | 0.416 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 172.8 | -74.6 | 176.7 | -165.9 | 0 | 0 | 111.6 | L185 T192 K193 F200 | L185-E196 HydrophobicContact CD1-CG 3.77Å; T192-E196 VanDerWaalsContact CB-OE1 3.31Å; T192-E196 WeakPolarHBondContact CB-OE1 3.4Å; T192-E196 WeakPolarHBondContact O-CG 3.39Å; T192-E196 PolarHBondContact O-N 3.06Å; T192-E196 PolarHBondContact OG1-OE1 2.97Å; K193-E196 PolarHBondContact O-N 3.39Å; E196-F200 WeakPolarHBondContact O-CB 3.22Å; E196-F200 PolarHBondContact O-N 2.93Å |
| 197 | A | 69.3 | Low | 69.7 | Low | 59 Ų | 59 | 56.6 Ų | 56.6 | 49% | 0.488 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K193 P194 I195 F200 F201 | K193-A197 WeakPolarHBondContact O-CB 3.31Å; K193-A197 PolarHBondContact O-N 2.92Å; P194-A197 PolarHBondContact O-N 3.41Å; I195-A197 VanDerWaalsContact C-N 3.3Å; I195-A197 PolarHBondContact O-N 3.42Å; A197-F200 PolarHBondContact O-N 3.47Å; A197-F201 WeakPolarHBondContact O-CB 3.45Å; A197-F201 PolarHBondContact O-N 2.92Å |
| 198 | E | 72.3 | Confident | 71.2 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 177.9 | -173.6 | 168.5 | -169.3 | 0 | 0 | 112 | L162 P194 I195 F200 F201 F202 | L162-E198 HydrophobicContact CD1-CG 4.02Å; P194-E198 WeakPolarHBondContact O-CB 3.49Å; P194-E198 PolarHBondContact O-N 2.98Å; I195-E198 PolarHBondContact O-N 2.87Å; E198-F200 PolarHBondContact O-N 3.34Å; E198-F201 WeakPolarHBondContact O-CB 3.21Å; E198-F201 PolarHBondContact O-N 2.92Å; E198-F202 HydrophobicContact CG-CD2 3.92Å; E198-F202 HydrophobicContact CG-CE2 3.54Å; E198-F202 WeakPolarHBondContact O-CD2 3.49Å; E198-F202 PolarHBondContact O-N 2.99Å |
| 199 | L | 70.9 | Confident | 72.9 | Confident | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 174.2 | -70.6 | 166.2 | 0 | 0 | 0 | 112.2 | Q159 V181 L185 I195 F201 F202 S203 | Q159-L199 HydrophobicContact CB-CD2 3.7Å; Q159-L199 HydrophobicContact CG-CD2 3.71Å; V181-L199 HydrophobicContact CG1-CD1 3.3Å; V181-L199 HydrophobicContact CG1-CD2 4.09Å; V181-L199 HydrophobicContact CG1-CG 4.3Å; L185-L199 HydrophobicContact CD1-CD1 3.59Å; I195-L199 HydrophobicContact CG2-CD1 3.72Å; I195-L199 HydrophobicContact CG2-CG 4.12Å; I195-L199 WeakPolarHBondContact O-CB 3.35Å; I195-L199 WeakPolarHBondContact O-CD1 3.4Å; I195-L199 WeakPolarHBondContact O-CG 3.44Å; I195-L199 PolarHBondContact O-N 3.02Å; L199-F201 VanDerWaalsContact C-N 3.34Å; L199-F202 PolarHBondContact O-N 2.86Å; L199-S203 VanDerWaalsContact O-CB 3.26Å; L199-S203 WeakPolarHBondContact O-CB 3.36Å; L199-S203 PolarHBondContact O-N 3.48Å; L199-S203 PolarHBondContact O-OG 2.97Å |
| 200 | F | 70.6 | Confident | 74.5 | Confident | 107 Ų | 107 | 58.8 Ų | 58.8 | 47% | 0.469 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 174.2 | 179.9 | -99.3 | 0 | 0 | 0 | 110.6 | E196 A197 E198 F202 S203 V204 L260 | E196-F200 WeakPolarHBondContact O-CB 3.22Å; E196-F200 PolarHBondContact O-N 2.93Å; A197-F200 PolarHBondContact O-N 3.47Å; E198-F200 PolarHBondContact O-N 3.34Å; F200-F202 PolarHBondContact O-N 3.48Å; F200-S203 PolarHBondContact O-N 2.9Å; F200-V204 HydrophobicContact CD1-CG2 4.02Å; F200-V204 HydrophobicContact CD2-CG2 4.45Å; F200-V204 HydrophobicContact CE1-CG2 3.65Å; F200-V204 HydrophobicContact CE2-CG2 4.12Å; F200-V204 HydrophobicContact CG-CG2 4.4Å; F200-V204 HydrophobicContact CZ-CG2 3.71Å; F200-V204 WeakPolarHBondContact O-CB 3.33Å; F200-V204 VanDerWaalsContact O-CG2 3.22Å; F200-V204 WeakPolarHBondContact O-CG2 3.42Å; F200-V204 PolarHBondContact O-N 3.15Å; F200-L260 HydrophobicContact CE2-CD2 3.68Å; F200-L260 HydrophobicContact CZ-CD2 3.97Å |
| 201 | F | 78.3 | Confident | 75.9 | Confident | 121 Ų | 121 | 57.7 Ų | 57.7 | 53% | 0.531 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.5 | -49.5 | 176.4 | 178.8 | -100.9 | 0 | 0 | 0 | 112.2 | A197 E198 L199 S203 V204 L205 | A197-F201 WeakPolarHBondContact O-CB 3.45Å; A197-F201 PolarHBondContact O-N 2.92Å; E198-F201 WeakPolarHBondContact O-CB 3.21Å; E198-F201 PolarHBondContact O-N 2.92Å; L199-F201 VanDerWaalsContact C-N 3.34Å; F201-S203 PolarHBondContact O-N 3.32Å; F201-V204 PolarHBondContact O-N 3.34Å; F201-L205 HydrophobicContact CD1-CD1 3.98Å; F201-L205 HydrophobicContact CE1-CD1 3.43Å; F201-L205 VanDerWaalsContact CE1-CD1 3.43Å; F201-L205 HydrophobicContact CE1-CG 4.29Å; F201-L205 HydrophobicContact CE2-CD1 4.49Å; F201-L205 HydrophobicContact CZ-CD1 3.73Å; F201-L205 HydrophobicContact CZ-CD2 4.49Å; F201-L205 HydrophobicContact CZ-CG 4.3Å; F201-L205 WeakPolarHBondContact O-CG 3.29Å; F201-L205 PolarHBondContact O-N 2.95Å |
| 202 | F | 78.4 | Confident | 77.2 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 21% | 0.211 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 176.4 | -74.6 | -62.8 | 0 | 0 | 0 | 112.8 | L158 E198 L199 F200 V204 L205 I206 | L158-F202 HydrophobicContact CD2-CD2 4.5Å; L158-F202 HydrophobicContact CD2-CE1 3.9Å; L158-F202 HydrophobicContact CD2-CE2 3.81Å; L158-F202 HydrophobicContact CD2-CZ 3.48Å; L158-F202 VanDerWaalsContact CD2-CZ 3.48Å; E198-F202 HydrophobicContact CG-CD2 3.92Å; E198-F202 HydrophobicContact CG-CE2 3.54Å; E198-F202 WeakPolarHBondContact O-CD2 3.49Å; E198-F202 PolarHBondContact O-N 2.99Å; L199-F202 PolarHBondContact O-N 2.86Å; F200-F202 PolarHBondContact O-N 3.48Å; F202-V204 VanDerWaalsContact C-N 3.34Å; F202-L205 PolarHBondContact O-N 3.45Å; F202-I206 PolarHBondContact O-N 3.48Å |
| 203 | S | 73.1 | Confident | 78.7 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 176.5 | -60 | 0 | 0 | 0 | 0 | 111.5 | L199 F200 F201 L207 | L199-S203 VanDerWaalsContact O-CB 3.26Å; L199-S203 WeakPolarHBondContact O-CB 3.36Å; L199-S203 PolarHBondContact O-N 3.48Å; L199-S203 PolarHBondContact O-OG 2.97Å; F200-S203 PolarHBondContact O-N 2.9Å; F201-S203 PolarHBondContact O-N 3.32Å; S203-L207 WeakPolarHBondContact O-CB 3.09Å; S203-L207 VanDerWaalsContact O-CG 3.28Å; S203-L207 WeakPolarHBondContact O-CG 3.24Å; S203-L207 PolarHBondContact O-N 3.41Å |
| 204 | V | 77.8 | Confident | 79.9 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 174 | 165.9 | 0 | 0 | 0 | 0 | 110.6 | F200 F201 F202 L208 L260 | F200-V204 HydrophobicContact CD1-CG2 4.02Å; F200-V204 HydrophobicContact CD2-CG2 4.45Å; F200-V204 HydrophobicContact CE1-CG2 3.65Å; F200-V204 HydrophobicContact CE2-CG2 4.12Å; F200-V204 HydrophobicContact CG-CG2 4.4Å; F200-V204 HydrophobicContact CZ-CG2 3.71Å; F200-V204 WeakPolarHBondContact O-CB 3.33Å; F200-V204 VanDerWaalsContact O-CG2 3.22Å; F200-V204 WeakPolarHBondContact O-CG2 3.42Å; F200-V204 PolarHBondContact O-N 3.15Å; F201-V204 PolarHBondContact O-N 3.34Å; F202-V204 VanDerWaalsContact C-N 3.34Å; V204-L208 HydrophobicContact CG1-CD1 3.65Å; V204-L208 HydrophobicContact CG1-CG 4.13Å; V204-L208 WeakPolarHBondContact O-CB 3.46Å; V204-L208 WeakPolarHBondContact O-CG 3.33Å; V204-L208 PolarHBondContact O-N 2.93Å; V204-L260 HydrophobicContact CG2-CD2 3.82Å |
| 205 | L | 84.1 | Confident | 81.2 | Confident | 66 Ų | 66 | 54 Ų | 54 | 35% | 0.346 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -48.6 | 178.7 | -68.4 | 177.5 | 0 | 0 | 0 | 112.1 | F201 F202 L207 I209 | F201-L205 HydrophobicContact CD1-CD1 3.98Å; F201-L205 HydrophobicContact CE1-CD1 3.43Å; F201-L205 VanDerWaalsContact CE1-CD1 3.43Å; F201-L205 HydrophobicContact CE1-CG 4.29Å; F201-L205 HydrophobicContact CE2-CD1 4.49Å; F201-L205 HydrophobicContact CZ-CD1 3.73Å; F201-L205 HydrophobicContact CZ-CD2 4.49Å; F201-L205 HydrophobicContact CZ-CG 4.3Å; F201-L205 WeakPolarHBondContact O-CG 3.29Å; F201-L205 PolarHBondContact O-N 2.95Å; F202-L205 PolarHBondContact O-N 3.45Å; L205-L207 VanDerWaalsContact C-N 3.32Å; L205-L207 PolarHBondContact O-N 3.31Å; L205-I209 HydrophobicContact CB-CD1 4.28Å; L205-I209 HydrophobicContact CD2-CD1 3.79Å; L205-I209 WeakPolarHBondContact O-CB 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.27Å; L205-I209 PolarHBondContact O-N 3.16Å |
| 206 | I | 83.9 | Confident | 82.5 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -72.7 | -24.6 | -176.1 | -155.7 | 68.3 | 0 | 0 | 0 | 112.7 | A109 L113 T151 F202 P210 | A109-I206 HydrophobicContact CB-CD1 4.33Å; A109-I206 HydrophobicContact CB-CG1 3.94Å; L113-I206 HydrophobicContact CD1-CD1 4.29Å; L113-I206 HydrophobicContact CD2-CD1 4.4Å; L113-I206 HydrophobicContact CG-CD1 4.3Å; T151-I206 HydrophobicContact CG2-CD1 4.43Å; F202-I206 PolarHBondContact O-N 3.48Å; I206-P210 WeakPolarHBondContact O-CD 3.22Å; I206-P210 WeakPolarHBondContact O-CG 3.45Å |
| 207 | L | 82.6 | Confident | 83.9 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -89.5 | -53.6 | 176.1 | -69.8 | 170.4 | 0 | 0 | 0 | 111.9 | S203 L205 V211 Y252 A255 Y259 | S203-L207 WeakPolarHBondContact O-CB 3.09Å; S203-L207 VanDerWaalsContact O-CG 3.28Å; S203-L207 WeakPolarHBondContact O-CG 3.24Å; S203-L207 PolarHBondContact O-N 3.41Å; L205-L207 VanDerWaalsContact C-N 3.32Å; L205-L207 PolarHBondContact O-N 3.31Å; L207-V211 WeakPolarHBondContact O-CB 3.46Å; L207-V211 PolarHBondContact O-N 3.34Å; L207-V211 VanDerWaalsContact O-N 3.16Å; L207-Y252 HydrophobicContact CD2-CD1 4.2Å; L207-Y252 HydrophobicContact CD2-CE1 4.04Å; L207-Y252 VanDerWaalsContact O-CE1 3.3Å; L207-Y252 WeakPolarHBondContact O-CE1 3.5Å; L207-A255 HydrophobicContact CD2-CB 3.96Å; L207-Y259 HydrophobicContact CD1-CD2 4.26Å; L207-Y259 HydrophobicContact CD1-CG 4.32Å |
| 208 | L | 85.2 | Confident | 85 | Confident | 66 Ų | 66 | 52 Ų | 52 | 35% | 0.346 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.6 | -43.3 | -170.8 | -64.3 | -170.5 | 0 | 0 | 0 | 112.6 | V204 V211 T212 L260 | V204-L208 HydrophobicContact CG1-CD1 3.65Å; V204-L208 HydrophobicContact CG1-CG 4.13Å; V204-L208 WeakPolarHBondContact O-CB 3.46Å; V204-L208 WeakPolarHBondContact O-CG 3.33Å; V204-L208 PolarHBondContact O-N 2.93Å; L208-V211 PolarHBondContact O-N 3.34Å; L208-T212 WeakPolarHBondContact O-CB 3.31Å; L208-T212 PolarHBondContact O-N 2.92Å; L208-T212 PolarHBondContact O-OG1 3.26Å; L208-L260 HydrophobicContact CD2-CD1 4.19Å |
| 209 | I | 89.9 | Confident | 86 | Confident | 93 Ų | 93 | 49.9 Ų | 49.9 | 48% | 0.477 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.8 | -52.4 | -177.4 | -64.3 | 170.3 | 0 | 0 | 0 | 110.3 | L205 V211 T212 L213 | L205-I209 HydrophobicContact CB-CD1 4.28Å; L205-I209 HydrophobicContact CD2-CD1 3.79Å; L205-I209 WeakPolarHBondContact O-CB 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.27Å; L205-I209 PolarHBondContact O-N 3.16Å; I209-V211 PolarHBondContact O-N 2.96Å; I209-T212 PolarHBondContact O-N 3.25Å; I209-L213 HydrophobicContact CG2-CD1 4.17Å; I209-L213 WeakPolarHBondContact O-CG 3.19Å; I209-L213 PolarHBondContact O-N 3.02Å |
| 210 | P | 91.4 | Very high | 87.1 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.7 | -32 | 44.2 | 0 | 0 | 0 | 113.6 | C112 L113 A116 I206 T212 L213 I214 Y252 | C112-P210 HydrophobicContact CB-CG 4.47Å; L113-P210 HydrophobicContact CD2-CG 3.93Å; A116-P210 HydrophobicContact CB-CB 3.96Å; I206-P210 WeakPolarHBondContact O-CD 3.22Å; I206-P210 WeakPolarHBondContact O-CG 3.45Å; P210-T212 VanDerWaalsContact C-N 3.33Å; P210-T212 PolarHBondContact O-N 3.12Å; P210-L213 PolarHBondContact O-N 3.2Å; P210-I214 VanDerWaalsContact O-CG1 3.23Å; P210-I214 WeakPolarHBondContact O-CG1 3.35Å; P210-I214 PolarHBondContact O-N 2.95Å; P210-Y252 WeakPolarHBondContact CB-OH 3.29Å |
| 211 | V | 90.1 | Very high | 88.2 | Confident | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | -178.9 | 102.5 | 0 | 0 | 0 | 0 | 111.5 | L207 L208 I209 I214 L215 Y252 | L207-V211 WeakPolarHBondContact O-CB 3.46Å; L207-V211 PolarHBondContact O-N 3.34Å; L207-V211 VanDerWaalsContact O-N 3.16Å; L208-V211 PolarHBondContact O-N 3.34Å; I209-V211 PolarHBondContact O-N 2.96Å; V211-I214 PolarHBondContact O-N 3.08Å; V211-L215 VanDerWaalsContact O-CG 3.27Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 2.93Å; V211-Y252 HydrophobicContact CB-CD1 3.8Å; V211-Y252 HydrophobicContact CB-CE1 3.89Å; V211-Y252 HydrophobicContact CB-CG 4.31Å; V211-Y252 HydrophobicContact CG2-CD1 3.47Å; V211-Y252 VanDerWaalsContact CG2-CD1 3.47Å; V211-Y252 HydrophobicContact CG2-CD2 4Å; V211-Y252 HydrophobicContact CG2-CE1 3.97Å; V211-Y252 HydrophobicContact CG2-CE2 4.44Å; V211-Y252 HydrophobicContact CG2-CG 3.49Å; V211-Y252 VanDerWaalsContact CG2-CG 3.49Å |
| 212 | T | 91 | Very high | 88.7 | Confident | 70 Ų | 70 | 45.7 Ų | 45.7 | 43% | 0.429 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 175.6 | -63.4 | 0 | 0 | 0 | 0 | 110.9 | L208 I209 P210 I214 L215 I216 | L208-T212 WeakPolarHBondContact O-CB 3.31Å; L208-T212 PolarHBondContact O-N 2.92Å; L208-T212 PolarHBondContact O-OG1 3.26Å; I209-T212 PolarHBondContact O-N 3.25Å; P210-T212 VanDerWaalsContact C-N 3.33Å; P210-T212 PolarHBondContact O-N 3.12Å; T212-I214 VanDerWaalsContact C-N 3.32Å; T212-I214 PolarHBondContact O-N 3.42Å; T212-L215 PolarHBondContact O-N 3.49Å; T212-I216 HydrophobicContact CG2-CD1 3.81Å; T212-I216 HydrophobicContact CG2-CG1 4.42Å; T212-I216 WeakPolarHBondContact O-CB 3Å; T212-I216 VanDerWaalsContact O-CG1 3.27Å; T212-I216 WeakPolarHBondContact O-CG1 3.37Å; T212-I216 PolarHBondContact O-N 3.31Å |
| 213 | L | 93.9 | Very high | 89.3 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 48% | 0.482 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 175.7 | -69.5 | 174.3 | 0 | 0 | 0 | 112.2 | I209 P210 S217 | I209-L213 HydrophobicContact CG2-CD1 4.17Å; I209-L213 WeakPolarHBondContact O-CG 3.19Å; I209-L213 PolarHBondContact O-N 3.02Å; P210-L213 PolarHBondContact O-N 3.2Å; L213-S217 VanDerWaalsContact O-CB 3.31Å; L213-S217 WeakPolarHBondContact O-CB 3.15Å; L213-S217 PolarHBondContact O-N 3.43Å; L213-S217 PolarHBondContact O-OG 3.48Å |
| 214 | I | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.4 | -50.2 | 175.1 | -66.1 | 162.8 | 0 | 0 | 0 | 110.1 | L115 A116 S119 P210 V211 T212 I216 S217 Y218 M245 V248 Y252 | L115-I214 HydrophobicContact CB-CD1 4.31Å; A116-I214 HydrophobicContact CB-CD1 4.36Å; A116-I214 HydrophobicContact CB-CG1 4.14Å; S119-I214 WeakPolarHBondContact OG-CG1 3.44Å; P210-I214 VanDerWaalsContact O-CG1 3.23Å; P210-I214 WeakPolarHBondContact O-CG1 3.35Å; P210-I214 PolarHBondContact O-N 2.95Å; V211-I214 PolarHBondContact O-N 3.08Å; T212-I214 VanDerWaalsContact C-N 3.32Å; T212-I214 PolarHBondContact O-N 3.42Å; I214-I216 PolarHBondContact O-N 2.93Å; I214-S217 WeakPolarHBondContact O-CB 3.27Å; I214-S217 PolarHBondContact O-N 3.5Å; I214-Y218 HydrophobicContact CG2-CD2 3.84Å; I214-Y218 HydrophobicContact CG2-CE2 4.16Å; I214-Y218 WeakPolarHBondContact O-CB 2.92Å; I214-Y218 WeakPolarHBondContact O-CD2 3.47Å; I214-Y218 PolarHBondContact O-N 3.32Å; I214-M245 HydrophobicContact CG2-SD 4.35Å; I214-V248 HydrophobicContact CD1-CG1 4.18Å; I214-V248 HydrophobicContact CD1-CG2 4.23Å; I214-V248 HydrophobicContact CG2-CG1 3.96Å; I214-V248 HydrophobicContact CG2-CG2 4.28Å; I214-Y252 HydrophobicContact CD1-CD2 4.41Å; I214-Y252 HydrophobicContact CD1-CE2 3.73Å |
| 215 | L | 93.9 | Very high | 90.6 | Very high | 107 Ų | 107 | 48 Ų | 48 | 56% | 0.56 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | -179 | -69.8 | 174.5 | 0 | 0 | 0 | 112.2 | V211 T212 Y218 G219 | V211-L215 VanDerWaalsContact O-CG 3.27Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 2.93Å; T212-L215 PolarHBondContact O-N 3.49Å; L215-Y218 PolarHBondContact O-N 3.43Å; L215-G219 PolarHBondContact O-N 3.37Å |
| 216 | I | 95.4 | Very high | 90.8 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 45% | 0.451 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -49.8 | 175 | -69.9 | 168.9 | 0 | 0 | 0 | 110.3 | T212 I214 Y218 G219 F220 | T212-I216 HydrophobicContact CG2-CD1 3.81Å; T212-I216 HydrophobicContact CG2-CG1 4.42Å; T212-I216 WeakPolarHBondContact O-CB 3Å; T212-I216 VanDerWaalsContact O-CG1 3.27Å; T212-I216 WeakPolarHBondContact O-CG1 3.37Å; T212-I216 PolarHBondContact O-N 3.31Å; I214-I216 PolarHBondContact O-N 2.93Å; I216-Y218 VanDerWaalsContact C-N 3.29Å; I216-Y218 PolarHBondContact O-N 2.69Å; I216-G219 PolarHBondContact O-N 2.93Å; I216-F220 HydrophobicContact CG2-CD2 3.93Å; I216-F220 HydrophobicContact CG2-CE2 3.6Å; I216-F220 VanDerWaalsContact O-CD2 3.23Å; I216-F220 WeakPolarHBondContact O-CD2 3.24Å; I216-F220 PolarHBondContact O-N 2.94Å; I216-F220 VanDerWaalsContact O-N 3.12Å |
| 217 | S | 95.2 | Very high | 91 | Very high | 13 Ų | 13 | 57.6 Ų | 57.6 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.1 | -45.5 | 178.5 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | L213 I214 F220 I221 | L213-S217 VanDerWaalsContact O-CB 3.31Å; L213-S217 WeakPolarHBondContact O-CB 3.15Å; L213-S217 PolarHBondContact O-N 3.43Å; L213-S217 PolarHBondContact O-OG 3.48Å; I214-S217 WeakPolarHBondContact O-CB 3.27Å; I214-S217 PolarHBondContact O-N 3.5Å; S217-F220 PolarHBondContact O-N 2.94Å; S217-I221 VanDerWaalsContact O-CG1 3.24Å; S217-I221 WeakPolarHBondContact O-CG1 3.42Å; S217-I221 PolarHBondContact O-N 3.38Å |
| 218 | Y | 92.8 | Very high | 91.2 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 10% | 0.102 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.2 | -28.7 | 179.5 | -90.1 | -90.5 | 0 | 0 | 0 | 114.6 | I214 L215 I216 I221 A222 C241 H244 M245 | I214-Y218 HydrophobicContact CG2-CD2 3.84Å; I214-Y218 HydrophobicContact CG2-CE2 4.16Å; I214-Y218 WeakPolarHBondContact O-CB 2.92Å; I214-Y218 WeakPolarHBondContact O-CD2 3.47Å; I214-Y218 PolarHBondContact O-N 3.32Å; L215-Y218 PolarHBondContact O-N 3.43Å; I216-Y218 VanDerWaalsContact C-N 3.29Å; I216-Y218 PolarHBondContact O-N 2.69Å; Y218-I221 HydrophobicContact CD1-CD1 4.25Å; Y218-I221 HydrophobicContact CD2-CD1 4.3Å; Y218-I221 HydrophobicContact CE1-CD1 4.36Å; Y218-I221 HydrophobicContact CE2-CD1 4.4Å; Y218-I221 HydrophobicContact CG-CD1 4.25Å; Y218-I221 PolarHBondContact O-N 2.94Å; Y218-A222 VanDerWaalsContact O-CB 3.29Å; Y218-A222 WeakPolarHBondContact O-CB 3.44Å; Y218-A222 PolarHBondContact O-N 3.02Å; Y218-C241 HydrophobicContact CE1-CB 3.77Å; Y218-C241 WeakPolarHBondContact CE1-O 3.37Å; Y218-C241 PolarHBondContact OH-O 3.29Å; Y218-H244 AromaticContact CE2-ND1 3.6Å; Y218-H244 AromaticContact CZ-ND1 3.64Å; Y218-H244 VanDerWaalsContact OH-CB 3.28Å; Y218-H244 WeakPolarHBondContact OH-CB 3.33Å; Y218-H244 PolarHBondContact OH-ND1 3.09Å; Y218-M245 HydrophobicContact CD1-CG 3.49Å; Y218-M245 VanDerWaalsContact CD1-CG 3.49Å; Y218-M245 HydrophobicContact CD1-SD 3.48Å; Y218-M245 WeakPolarHBondContact CD1-SD 3.43Å; Y218-M245 HydrophobicContact CD2-CG 4.48Å; Y218-M245 HydrophobicContact CD2-SD 3.51Å; Y218-M245 VanDerWaalsContact CD2-SD 3.51Å; Y218-M245 HydrophobicContact CE1-CB 4.48Å; Y218-M245 HydrophobicContact CE1-CG 3.15Å; Y218-M245 HydrophobicContact CE1-SD 3.52Å; Y218-M245 VanDerWaalsContact CE1-SD 3.52Å; Y218-M245 HydrophobicContact CE2-CG 4.23Å; Y218-M245 HydrophobicContact CE2-SD 3.55Å; Y218-M245 VanDerWaalsContact CE2-SD 3.55Å; Y218-M245 HydrophobicContact CG-CG 4.12Å; Y218-M245 HydrophobicContact CG-SD 3.44Å; Y218-M245 VanDerWaalsContact CZ-SD 3.52Å |
| 219 | G | 92.9 | Very high | 91.1 | Very high | 34 Ų | 34 | 68.2 Ų | 68.2 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L215 I216 A222 Q223 | L215-G219 PolarHBondContact O-N 3.37Å; I216-G219 PolarHBondContact O-N 2.93Å; G219-A222 PolarHBondContact O-N 2.99Å; G219-Q223 WeakPolarHBondContact O-CG 3.33Å; G219-Q223 PolarHBondContact O-N 3.19Å; G219-Q223 VanDerWaalsContact O-N 3.08Å |
| 220 | F | 94.4 | Very high | 91 | Very high | 95 Ų | 95 | 66.9 Ų | 66.9 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 175.3 | -72.4 | -64.3 | 0 | 0 | 0 | 113.1 | Y123 I216 S217 A222 Q223 A224 | Y123-F220 HydrophobicContact CD2-CB 3.8Å; Y123-F220 HydrophobicContact CD2-CG 4.48Å; Y123-F220 HydrophobicContact CE2-CB 3.6Å; Y123-F220 AromaticContact CE2-CD2 3.99Å; Y123-F220 HydrophobicContact CE2-CD2 3.99Å; Y123-F220 AromaticContact CE2-CG 3.92Å; Y123-F220 HydrophobicContact CE2-CG 3.92Å; I216-F220 HydrophobicContact CG2-CD2 3.93Å; I216-F220 HydrophobicContact CG2-CE2 3.6Å; I216-F220 VanDerWaalsContact O-CD2 3.23Å; I216-F220 WeakPolarHBondContact O-CD2 3.24Å; I216-F220 PolarHBondContact O-N 2.94Å; I216-F220 VanDerWaalsContact O-N 3.12Å; S217-F220 PolarHBondContact O-N 2.94Å; F220-A222 VanDerWaalsContact C-N 3.34Å; F220-A222 PolarHBondContact O-N 3.26Å; F220-Q223 PolarHBondContact O-N 3.33Å; F220-A224 WeakPolarHBondContact O-CB 3.31Å; F220-A224 PolarHBondContact O-N 2.94Å |
| 221 | I | 92.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 175.3 | -68.8 | 164.2 | 0 | 0 | 0 | 109.9 | R122 V126 S217 Y218 Q223 A224 V225 C241 | R122-I221 HydrophobicContact CB-CD1 3.86Å; V126-I221 HydrophobicContact CB-CG1 4.5Å; V126-I221 HydrophobicContact CG1-CG2 4.34Å; V126-I221 HydrophobicContact CG2-CG2 4.48Å; S217-I221 VanDerWaalsContact O-CG1 3.24Å; S217-I221 WeakPolarHBondContact O-CG1 3.42Å; S217-I221 PolarHBondContact O-N 3.38Å; Y218-I221 HydrophobicContact CD1-CD1 4.25Å; Y218-I221 HydrophobicContact CD2-CD1 4.3Å; Y218-I221 HydrophobicContact CE1-CD1 4.36Å; Y218-I221 HydrophobicContact CE2-CD1 4.4Å; Y218-I221 HydrophobicContact CG-CD1 4.25Å; Y218-I221 PolarHBondContact O-N 2.94Å; I221-Q223 VanDerWaalsContact C-N 3.34Å; I221-Q223 PolarHBondContact O-N 3.5Å; I221-A224 PolarHBondContact O-N 2.83Å; I221-V225 HydrophobicContact CG2-CG2 4.07Å; I221-V225 WeakPolarHBondContact O-CB 3.4Å; I221-V225 VanDerWaalsContact O-CG2 3.26Å; I221-V225 WeakPolarHBondContact O-CG2 3.37Å; I221-V225 PolarHBondContact O-N 2.75Å; I221-C241 HydrophobicContact CG2-CB 4.45Å |
| 222 | A | 90.7 | Very high | 90.1 | Very high | 52 Ų | 52 | 76.8 Ų | 76.8 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y218 G219 F220 A224 V225 L226 | Y218-A222 VanDerWaalsContact O-CB 3.29Å; Y218-A222 WeakPolarHBondContact O-CB 3.44Å; Y218-A222 PolarHBondContact O-N 3.02Å; G219-A222 PolarHBondContact O-N 2.99Å; F220-A222 VanDerWaalsContact C-N 3.34Å; F220-A222 PolarHBondContact O-N 3.26Å; A222-A224 VanDerWaalsContact C-N 3.33Å; A222-A224 PolarHBondContact O-N 3.03Å; A222-V225 PolarHBondContact O-N 2.85Å; A222-L226 VanDerWaalsContact O-CG 3.27Å; A222-L226 WeakPolarHBondContact O-CG 3.37Å; A222-L226 PolarHBondContact O-N 3.02Å |
| 223 | Q | 90.9 | Very high | 89.5 | Confident | 111 Ų | 111 | 74.7 Ų | 74.7 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 175.3 | -70.6 | 177.7 | 14.1 | 0 | 0 | 112.5 | G219 F220 I221 K227 | G219-Q223 WeakPolarHBondContact O-CG 3.33Å; G219-Q223 PolarHBondContact O-N 3.19Å; G219-Q223 VanDerWaalsContact O-N 3.08Å; F220-Q223 PolarHBondContact O-N 3.33Å; I221-Q223 VanDerWaalsContact C-N 3.34Å; I221-Q223 PolarHBondContact O-N 3.5Å; Q223-K227 WeakPolarHBondContact O-CG 3.32Å; Q223-K227 PolarHBondContact O-N 2.95Å |
| 224 | A | 89.7 | Confident | 88.9 | Confident | 24 Ų | 24 | 75.2 Ų | 75.2 | 20% | 0.198 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V126 F220 I221 A222 L226 K227 I228 | V126-A224 HydrophobicContact CG1-CB 3.9Å; F220-A224 WeakPolarHBondContact O-CB 3.31Å; F220-A224 PolarHBondContact O-N 2.94Å; I221-A224 PolarHBondContact O-N 2.83Å; A222-A224 VanDerWaalsContact C-N 3.33Å; A222-A224 PolarHBondContact O-N 3.03Å; A224-L226 PolarHBondContact O-N 3.16Å; A224-K227 WeakPolarHBondContact O-CB 3.12Å; A224-K227 PolarHBondContact O-N 3.27Å; A224-K227 VanDerWaalsContact O-N 3.12Å; A224-I228 PolarHBondContact O-N 3.46Å |
| 225 | V | 88.4 | Confident | 88.2 | Confident | 10 Ų | 10 | 85.1 Ų | 85.1 | 6% | 0.061 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 179.5 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | V126 I221 A222 K227 I228 R234 A237 F238 | V126-V225 HydrophobicContact CG1-CG2 4.18Å; I221-V225 HydrophobicContact CG2-CG2 4.07Å; I221-V225 WeakPolarHBondContact O-CB 3.4Å; I221-V225 VanDerWaalsContact O-CG2 3.26Å; I221-V225 WeakPolarHBondContact O-CG2 3.37Å; I221-V225 PolarHBondContact O-N 2.75Å; A222-V225 PolarHBondContact O-N 2.85Å; V225-K227 PolarHBondContact O-N 3.45Å; V225-I228 HydrophobicContact CG2-CD1 4.4Å; V225-I228 WeakPolarHBondContact O-CB 3.3Å; V225-I228 PolarHBondContact O-N 2.67Å; V225-I228 VanDerWaalsContact O-N 3.11Å; V225-R234 HydrophobicContact CG1-CG 4.34Å; V225-A237 HydrophobicContact CG1-CB 4.37Å; V225-A237 HydrophobicContact CG2-CB 3.64Å; V225-F238 HydrophobicContact CG1-CE2 4.01Å; V225-F238 HydrophobicContact CG1-CZ 4.34Å |
| 226 | L | 87.6 | Confident | 87.5 | Confident | 124 Ų | 124 | 86.5 Ų | 86.5 | 65% | 0.649 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.5 | -32 | 175.4 | -70.9 | 172.2 | 0 | 0 | 0 | 112.1 | A222 A224 R234 | A222-L226 VanDerWaalsContact O-CG 3.27Å; A222-L226 WeakPolarHBondContact O-CG 3.37Å; A222-L226 PolarHBondContact O-N 3.02Å; A224-L226 PolarHBondContact O-N 3.16Å; L226-R234 PolarHBondContact O-NH2 3.44Å |
| 227 | K | 88 | Confident | 86.7 | Confident | 170 Ų | 170 | 82.8 Ų | 82.8 | 74% | 0.739 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -77.9 | -16.2 | 177.3 | -67.1 | 174.7 | -177.8 | -179.2 | 0 | 114.1 | Q223 A224 V225 R229 | Q223-K227 WeakPolarHBondContact O-CG 3.32Å; Q223-K227 PolarHBondContact O-N 2.95Å; A224-K227 WeakPolarHBondContact O-CB 3.12Å; A224-K227 PolarHBondContact O-N 3.27Å; A224-K227 VanDerWaalsContact O-N 3.12Å; V225-K227 PolarHBondContact O-N 3.45Å; K227-R229 PolarHBondContact O-N 3.19Å |
| 228 | I | 86.9 | Confident | 85.9 | Confident | 51 Ų | 51 | 88.8 Ų | 88.8 | 26% | 0.262 | 44% | 0.44 | S | S | . | . | trans | -66.2 | 126.6 | 176.9 | -62.3 | 174.8 | 0 | 0 | 0 | 109.1 | A224 V225 S230 R234 | A224-I228 PolarHBondContact O-N 3.46Å; V225-I228 HydrophobicContact CG2-CD1 4.4Å; V225-I228 WeakPolarHBondContact O-CB 3.3Å; V225-I228 PolarHBondContact O-N 2.67Å; V225-I228 VanDerWaalsContact O-N 3.11Å; I228-S230 WeakPolarHBondContact CG2-O 3.42Å; I228-R234 HydrophobicContact CB-CG 4.04Å; I228-R234 HydrophobicContact CG2-CG 4.12Å; I228-R234 PolarHBondContact O-NE 2.82Å; I228-R234 PolarHBondContact O-NH2 2.85Å | ||
| 229 | R | 83.3 | Confident | 84.9 | Confident | 246 Ų | 246 | 89 Ų | 89 | 93% | 0.928 | 45% | 0.449 | S | S | * | . | trans | -83.5 | -25.2 | 178.1 | -66.2 | -173.2 | 178 | -175.8 | -0.6 | 113.9 | K227 | K227-R229 PolarHBondContact O-N 3.19Š| ||
| 230 | S | 87.7 | Confident | 84.1 | Confident | 64 Ų | 64 | 88.4 Ų | 88.4 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | trans | -80.5 | 126 | 180 | 172.1 | 0 | 0 | 0 | 0 | 112.3 | I228 E232 G233 R234 | I228-S230 WeakPolarHBondContact CG2-O 3.42Å; S230-E232 VanDerWaalsContact C-N 3.27Å; S230-E232 PolarHBondContact O-N 3.37Å; S230-E232 PolarHBondContact OG-N 2.91Å; S230-G233 PolarHBondContact O-N 3.27Å; S230-G233 PolarHBondContact OG-N 3.37Å; S230-R234 PolarHBondContact O-N 3.24Å | ||
| 231 | A | 81.6 | Confident | 83.6 | Confident | 82 Ų | 82 | 84.3 Ų | 84.3 | 68% | 0.678 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.2 | -35.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R234 R235 | A231-R234 PolarHBondContact O-N 2.92Å; A231-R235 WeakPolarHBondContact O-CB 3.16Å; A231-R235 PolarHBondContact O-N 2.99Å |
| 232 | E | 80.1 | Confident | 83.2 | Confident | 149 Ų | 149 | 85.3 Ų | 85.3 | 70% | 0.696 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -69.1 | -41.4 | 177.2 | -175 | 162.1 | -162.6 | 0 | 0 | 111.8 | S230 R234 R235 K236 | S230-E232 VanDerWaalsContact C-N 3.27Å; S230-E232 PolarHBondContact O-N 3.37Å; S230-E232 PolarHBondContact OG-N 2.91Å; E232-R234 PolarHBondContact O-N 2.94Å; E232-R235 PolarHBondContact O-N 3Å; E232-K236 WeakPolarHBondContact O-CB 3.16Å; E232-K236 PolarHBondContact O-N 3.1Å |
| 233 | G | 78.6 | Confident | 82.8 | Confident | 27 Ų | 27 | 82.9 Ų | 82.9 | 28% | 0.278 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S230 K236 A237 | S230-G233 PolarHBondContact O-N 3.27Å; S230-G233 PolarHBondContact OG-N 3.37Å; G233-K236 PolarHBondContact O-N 3.42Å; G233-A237 PolarHBondContact O-N 3.4Å; G233-A237 VanDerWaalsContact O-N 3.12Å |
| 234 | R | 82 | Confident | 82.7 | Confident | 102 Ų | 102 | 77.6 Ų | 77.6 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 174 | -72 | -179.1 | 178.2 | 176.3 | -0.8 | 111.6 | V225 L226 I228 S230 A231 E232 K236 A237 F238 | V225-R234 HydrophobicContact CG1-CG 4.34Å; L226-R234 PolarHBondContact O-NH2 3.44Å; I228-R234 HydrophobicContact CB-CG 4.04Å; I228-R234 HydrophobicContact CG2-CG 4.12Å; I228-R234 PolarHBondContact O-NE 2.82Å; I228-R234 PolarHBondContact O-NH2 2.85Å; S230-R234 PolarHBondContact O-N 3.24Å; A231-R234 PolarHBondContact O-N 2.92Å; E232-R234 PolarHBondContact O-N 2.94Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 PolarHBondContact O-N 3.36Å; R234-A237 PolarHBondContact O-N 2.93Å; R234-F238 WeakPolarHBondContact O-CD2 3.45Å; R234-F238 PolarHBondContact O-N 3.36Å |
| 235 | R | 79.6 | Confident | 82.6 | Confident | 208 Ų | 208 | 78.7 Ų | 78.7 | 79% | 0.785 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.4 | -39.6 | -178.8 | -168.9 | 177 | -178 | -174 | 2.1 | 112.1 | A231 E232 G239 | A231-R235 WeakPolarHBondContact O-CB 3.16Å; A231-R235 PolarHBondContact O-N 2.99Å; E232-R235 PolarHBondContact O-N 3Å; R235-G239 PolarHBondContact O-N 2.86Å; R235-G239 VanDerWaalsContact O-N 3.07Å |
| 236 | K | 78.3 | Confident | 82.5 | Confident | 136 Ų | 136 | 81 Ų | 81 | 59% | 0.591 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.8 | -48.1 | 174.5 | -172.2 | 175.4 | -178.8 | 179 | 0 | 111.2 | E232 G233 R234 F238 G239 T240 | E232-K236 WeakPolarHBondContact O-CB 3.16Å; E232-K236 PolarHBondContact O-N 3.1Å; G233-K236 PolarHBondContact O-N 3.42Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 PolarHBondContact O-N 3.36Å; K236-F238 PolarHBondContact O-N 3.37Å; K236-G239 PolarHBondContact O-N 3.41Å; K236-T240 PolarHBondContact O-N 3.03Å; K236-T240 VanDerWaalsContact O-N 3.16Å; K236-T240 PolarHBondContact O-OG1 3.28Å |
| 237 | A | 80.4 | Confident | 82.4 | Confident | 10 Ų | 10 | 75 Ų | 75 | 8% | 0.083 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V225 G233 R234 G239 T240 C241 | V225-A237 HydrophobicContact CG1-CB 4.37Å; V225-A237 HydrophobicContact CG2-CB 3.64Å; G233-A237 PolarHBondContact O-N 3.4Å; G233-A237 VanDerWaalsContact O-N 3.12Å; R234-A237 PolarHBondContact O-N 2.93Å; A237-G239 VanDerWaalsContact C-N 3.34Å; A237-G239 PolarHBondContact O-N 2.99Å; A237-T240 PolarHBondContact O-N 3.39Å; A237-T240 PolarHBondContact O-OG1 3.08Å; A237-C241 WeakPolarHBondContact O-CB 3.27Å; A237-C241 PolarHBondContact O-N 3.29Å; A237-C241 PolarHBondContact O-SG 2.93Å |
| 238 | F | 76.8 | Confident | 82.3 | Confident | 140 Ų | 140 | 67.2 Ų | 67.2 | 61% | 0.614 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.9 | -37.8 | 176 | -82.6 | -68.1 | 0 | 0 | 0 | 113 | V225 R234 K236 G242 | V225-F238 HydrophobicContact CG1-CE2 4.01Å; V225-F238 HydrophobicContact CG1-CZ 4.34Å; R234-F238 WeakPolarHBondContact O-CD2 3.45Å; R234-F238 PolarHBondContact O-N 3.36Å; K236-F238 PolarHBondContact O-N 3.37Å; F238-G242 VanDerWaalsContact O-CA 3.24Å; F238-G242 WeakPolarHBondContact O-CA 3.2Å; F238-G242 PolarHBondContact O-N 3.31Å |
| 239 | G | 73.1 | Confident | 82.2 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | R235 K236 A237 S243 | R235-G239 PolarHBondContact O-N 2.86Å; R235-G239 VanDerWaalsContact O-N 3.07Å; K236-G239 PolarHBondContact O-N 3.41Å; A237-G239 VanDerWaalsContact C-N 3.34Å; A237-G239 PolarHBondContact O-N 2.99Å; G239-S243 WeakPolarHBondContact O-CB 3.33Å; G239-S243 PolarHBondContact O-N 2.9Å; G239-S243 PolarHBondContact O-OG 3.44Å |
| 240 | T | 76.1 | Confident | 82.1 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 14% | 0.135 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -80.4 | -42.1 | -176.7 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | K236 A237 S243 | K236-T240 PolarHBondContact O-N 3.03Å; K236-T240 VanDerWaalsContact O-N 3.16Å; K236-T240 PolarHBondContact O-OG1 3.28Å; A237-T240 PolarHBondContact O-N 3.39Å; A237-T240 PolarHBondContact O-OG1 3.08Å; T240-S243 PolarHBondContact O-OG 2.76Å |
| 241 | C | 83.3 | Confident | 81.9 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -80.2 | -34.2 | -178.4 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | Y218 I221 A237 M245 | Y218-C241 HydrophobicContact CE1-CB 3.77Å; Y218-C241 WeakPolarHBondContact CE1-O 3.37Å; Y218-C241 PolarHBondContact OH-O 3.29Å; I221-C241 HydrophobicContact CG2-CB 4.45Å; A237-C241 WeakPolarHBondContact O-CB 3.27Å; A237-C241 PolarHBondContact O-N 3.29Å; A237-C241 PolarHBondContact O-SG 2.93Å; C241-M245 PolarHBondContact O-N 3.27Å |
| 242 | G | 83.6 | Confident | 81.8 | Confident | 25 Ų | 25 | 53 Ų | 53 | 26% | 0.258 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.8 | -37.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F238 M245 I246 | F238-G242 VanDerWaalsContact O-CA 3.24Å; F238-G242 WeakPolarHBondContact O-CA 3.2Å; F238-G242 PolarHBondContact O-N 3.31Å; G242-M245 PolarHBondContact O-N 3.23Å; G242-I246 VanDerWaalsContact O-CG1 3.29Å; G242-I246 WeakPolarHBondContact O-CG1 3.3Å; G242-I246 PolarHBondContact O-N 3.44Å |
| 243 | S | 83 | Confident | 81.6 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 173.8 | 43.8 | 0 | 0 | 0 | 0 | 111.7 | G239 T240 M245 I246 V247 I289 | G239-S243 WeakPolarHBondContact O-CB 3.33Å; G239-S243 PolarHBondContact O-N 2.9Å; G239-S243 PolarHBondContact O-OG 3.44Å; T240-S243 PolarHBondContact O-OG 2.76Å; S243-M245 PolarHBondContact O-N 3.38Å; S243-I246 PolarHBondContact O-N 2.02Å; S243-V247 PolarHBondContact O-N 3.21Å; S243-I289 WeakPolarHBondContact O-CG2 3.28Å |
| 244 | H | 87.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 175.6 | 179.4 | -88.9 | 0 | 0 | 0 | 112.4 | L115 M118 Y218 I246 V247 V248 Y290 | L115-H244 PolarHBondContact O-CE1 3.22Å; L115-H244 PolarHBondContact O-NE2 3Å; M118-H244 WeakPolarHBondContact CB-NE2 3.4Å; Y218-H244 AromaticContact CE2-ND1 3.6Å; Y218-H244 AromaticContact CZ-ND1 3.64Å; Y218-H244 VanDerWaalsContact OH-CB 3.28Å; Y218-H244 WeakPolarHBondContact OH-CB 3.33Å; Y218-H244 PolarHBondContact OH-ND1 3.09Å; H244-I246 VanDerWaalsContact C-N 3.31Å; H244-I246 PolarHBondContact O-N 2.82Å; H244-V247 PolarHBondContact O-N 2.69Å; H244-V248 WeakPolarHBondContact CE1-CG2 3.34Å; H244-V248 WeakPolarHBondContact O-CG2 3.46Å; H244-V248 PolarHBondContact O-N 3Å; H244-Y290 PolarHBondContact CD2-OH 3.05Å; H244-Y290 VanDerWaalsContact CD2-OH 3.28Å |
| 245 | M | 88.4 | Confident | 80.8 | Confident | 46 Ų | 46 | 43.6 Ų | 43.6 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -36 | 174.6 | -77.2 | -54.4 | -57.5 | 0 | 0 | 113.5 | I214 Y218 C241 G242 S243 V247 V248 S249 | I214-M245 HydrophobicContact CG2-SD 4.35Å; Y218-M245 HydrophobicContact CD1-CG 3.49Å; Y218-M245 VanDerWaalsContact CD1-CG 3.49Å; Y218-M245 HydrophobicContact CD1-SD 3.48Å; Y218-M245 WeakPolarHBondContact CD1-SD 3.43Å; Y218-M245 HydrophobicContact CD2-CG 4.48Å; Y218-M245 HydrophobicContact CD2-SD 3.51Å; Y218-M245 VanDerWaalsContact CD2-SD 3.51Å; Y218-M245 HydrophobicContact CE1-CB 4.48Å; Y218-M245 HydrophobicContact CE1-CG 3.15Å; Y218-M245 HydrophobicContact CE1-SD 3.52Å; Y218-M245 VanDerWaalsContact CE1-SD 3.52Å; Y218-M245 HydrophobicContact CE2-CG 4.23Å; Y218-M245 HydrophobicContact CE2-SD 3.55Å; Y218-M245 VanDerWaalsContact CE2-SD 3.55Å; Y218-M245 HydrophobicContact CG-CG 4.12Å; Y218-M245 HydrophobicContact CG-SD 3.44Å; Y218-M245 VanDerWaalsContact CZ-SD 3.52Å; C241-M245 PolarHBondContact O-N 3.27Å; G242-M245 PolarHBondContact O-N 3.23Å; S243-M245 PolarHBondContact O-N 3.38Å; M245-V247 VanDerWaalsContact C-N 3.34Å; M245-V248 PolarHBondContact O-N 3.45Å; M245-S249 VanDerWaalsContact O-CB 3.31Å; M245-S249 WeakPolarHBondContact O-CB 3.35Å; M245-S249 PolarHBondContact O-N 3.43Å; M245-S249 PolarHBondContact O-OG 2.94Å |
| 246 | I | 86.1 | Confident | 80.4 | Confident | 58 Ų | 58 | 36.3 Ų | 36.3 | 30% | 0.297 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 175.6 | -67.3 | 163.3 | 0 | 0 | 0 | 109.9 | G242 S243 H244 S249 L250 I289 | G242-I246 VanDerWaalsContact O-CG1 3.29Å; G242-I246 WeakPolarHBondContact O-CG1 3.3Å; G242-I246 PolarHBondContact O-N 3.44Å; S243-I246 PolarHBondContact O-N 2.02Å; H244-I246 VanDerWaalsContact C-N 3.31Å; H244-I246 PolarHBondContact O-N 2.82Å; I246-S249 PolarHBondContact O-N 3.49Å; I246-L250 HydrophobicContact CG2-CD1 3.92Å; I246-L250 HydrophobicContact CG2-CG 4.43Å; I246-L250 WeakPolarHBondContact O-CB 3.31Å; I246-L250 VanDerWaalsContact O-CG 3.3Å; I246-L250 WeakPolarHBondContact O-CG 3.41Å; I246-L250 PolarHBondContact O-N 3.13Å; I246-I289 HydrophobicContact CG2-CD1 3.82Å; I246-I289 HydrophobicContact CG2-CG1 4.44Å |
| 247 | V | 85.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -49 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | L115 S243 H244 M245 S249 L250 F251 N286 I289 Y290 | L115-V247 HydrophobicContact CD2-CG1 3.86Å; S243-V247 PolarHBondContact O-N 3.21Å; H244-V247 PolarHBondContact O-N 2.69Å; M245-V247 VanDerWaalsContact C-N 3.34Å; V247-S249 VanDerWaalsContact C-N 3.35Å; V247-S249 PolarHBondContact O-N 3.26Å; V247-L250 PolarHBondContact O-N 2.78Å; V247-F251 WeakPolarHBondContact O-CB 3.22Å; V247-F251 PolarHBondContact O-N 3.07Å; V247-N286 VanDerWaalsContact CG1-OD1 3.25Å; V247-N286 WeakPolarHBondContact CG1-OD1 3.21Å; V247-I289 HydrophobicContact CG2-CB 4.08Å; V247-I289 HydrophobicContact CG2-CD1 3.78Å; V247-I289 HydrophobicContact CG2-CG2 3.82Å; V247-Y290 HydrophobicContact CB-CE2 4.44Å; V247-Y290 HydrophobicContact CG1-CE2 4.31Å; V247-Y290 HydrophobicContact CG2-CD2 4.39Å; V247-Y290 HydrophobicContact CG2-CE2 3.75Å |
| 248 | V | 86.5 | Confident | 79 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 176.5 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | L115 I214 H244 M245 F251 Y252 | L115-V248 HydrophobicContact CB-CG2 4.45Å; I214-V248 HydrophobicContact CD1-CG1 4.18Å; I214-V248 HydrophobicContact CD1-CG2 4.23Å; I214-V248 HydrophobicContact CG2-CG1 3.96Å; I214-V248 HydrophobicContact CG2-CG2 4.28Å; H244-V248 WeakPolarHBondContact CE1-CG2 3.34Å; H244-V248 WeakPolarHBondContact O-CG2 3.46Å; H244-V248 PolarHBondContact O-N 3Å; M245-V248 PolarHBondContact O-N 3.45Å; V248-F251 PolarHBondContact O-N 3.41Å; V248-Y252 HydrophobicContact CG1-CD2 3.9Å; V248-Y252 WeakPolarHBondContact O-CB 3.43Å; V248-Y252 PolarHBondContact O-N 3.32Å |
| 249 | S | 85.1 | Confident | 78.1 | Confident | 72 Ų | 72 | 33.8 Ų | 33.8 | 50% | 0.503 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.3 | -39.3 | -179.4 | -67.5 | 0 | 0 | 0 | 0 | 112.4 | M245 I246 V247 G253 | M245-S249 VanDerWaalsContact O-CB 3.31Å; M245-S249 WeakPolarHBondContact O-CB 3.35Å; M245-S249 PolarHBondContact O-N 3.43Å; M245-S249 PolarHBondContact O-OG 2.94Å; I246-S249 PolarHBondContact O-N 3.49Å; V247-S249 VanDerWaalsContact C-N 3.35Å; V247-S249 PolarHBondContact O-N 3.26Å; S249-G253 VanDerWaalsContact O-CA 3.24Å; S249-G253 WeakPolarHBondContact O-CA 3.19Å; S249-G253 PolarHBondContact O-N 2.83Å |
| 250 | L | 81.7 | Confident | 77.6 | Confident | 61 Ų | 61 | 35.4 Ų | 35.4 | 32% | 0.319 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.5 | -46.4 | 175.8 | -71.9 | 170.9 | 0 | 0 | 0 | 111.1 | I246 V247 T254 L285 I289 | I246-L250 HydrophobicContact CG2-CD1 3.92Å; I246-L250 HydrophobicContact CG2-CG 4.43Å; I246-L250 WeakPolarHBondContact O-CB 3.31Å; I246-L250 VanDerWaalsContact O-CG 3.3Å; I246-L250 WeakPolarHBondContact O-CG 3.41Å; I246-L250 PolarHBondContact O-N 3.13Å; V247-L250 PolarHBondContact O-N 2.78Å; L250-T254 WeakPolarHBondContact O-CB 3.35Å; L250-T254 VanDerWaalsContact O-CG2 3.27Å; L250-T254 WeakPolarHBondContact O-CG2 3.07Å; L250-T254 PolarHBondContact O-N 3.46Å; L250-T254 PolarHBondContact O-OG1 2.9Å; L250-L285 HydrophobicContact CD1-CD1 3.84Å; L250-I289 HydrophobicContact CD1-CD1 3.89Å |
| 251 | F | 81.8 | Confident | 76.7 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.2 | -60.3 | -179.1 | -177.7 | -96.1 | 0 | 0 | 0 | 112.3 | E111 C112 L115 V247 V248 T254 A255 T282 | E111-F251 HydrophobicContact CB-CE2 4.24Å; E111-F251 HydrophobicContact CB-CZ 4.08Å; E111-F251 VanDerWaalsContact CD-CD2 3.4Å; E111-F251 HydrophobicContact CG-CD2 4.13Å; E111-F251 HydrophobicContact CG-CE1 4.41Å; E111-F251 HydrophobicContact CG-CE2 3.76Å; E111-F251 HydrophobicContact CG-CZ 3.9Å; E111-F251 VanDerWaalsContact OE1-CD2 3.27Å; E111-F251 WeakPolarHBondContact OE1-CD2 3.36Å; E111-F251 WeakPolarHBondContact OE2-CE2 3.39Å; C112-F251 VanDerWaalsContact SG-CE1 3.5Å; L115-F251 HydrophobicContact CD1-CB 4.08Å; L115-F251 HydrophobicContact CD1-CD1 3.71Å; L115-F251 HydrophobicContact CD1-CE1 4.35Å; L115-F251 HydrophobicContact CD1-CG 3.92Å; V247-F251 WeakPolarHBondContact O-CB 3.22Å; V247-F251 PolarHBondContact O-N 3.07Å; V248-F251 PolarHBondContact O-N 3.41Å; F251-T254 PolarHBondContact O-N 2.74Å; F251-T254 PolarHBondContact O-OG1 3.19Å; F251-A255 WeakPolarHBondContact O-CB 3.17Å; F251-A255 PolarHBondContact O-N 3.17Å; F251-T282 HydrophobicContact CB-CG2 4.02Å; F251-T282 HydrophobicContact CD2-CG2 4.17Å |
| 252 | Y | 79.5 | Confident | 75 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71 | -34.7 | -177.3 | -81.2 | -84.8 | 0 | 0 | 0 | 113 | C112 L115 L207 P210 V211 I214 V248 T254 A255 I256 | C112-Y252 WeakPolarHBondContact CA-OH 3.5Å; C112-Y252 WeakPolarHBondContact CB-OH 3.39Å; C112-Y252 PolarHBondContact O-OH 2.8Å; C112-Y252 VanDerWaalsContact O-OH 3.14Å; L115-Y252 HydrophobicContact CB-CE2 4.48Å; L115-Y252 HydrophobicContact CD1-CE2 4.09Å; L207-Y252 HydrophobicContact CD2-CD1 4.2Å; L207-Y252 HydrophobicContact CD2-CE1 4.04Å; L207-Y252 VanDerWaalsContact O-CE1 3.3Å; L207-Y252 WeakPolarHBondContact O-CE1 3.5Å; P210-Y252 WeakPolarHBondContact CB-OH 3.29Å; V211-Y252 HydrophobicContact CB-CD1 3.8Å; V211-Y252 HydrophobicContact CB-CE1 3.89Å; V211-Y252 HydrophobicContact CB-CG 4.31Å; V211-Y252 HydrophobicContact CG2-CD1 3.47Å; V211-Y252 VanDerWaalsContact CG2-CD1 3.47Å; V211-Y252 HydrophobicContact CG2-CD2 4Å; V211-Y252 HydrophobicContact CG2-CE1 3.97Å; V211-Y252 HydrophobicContact CG2-CE2 4.44Å; V211-Y252 HydrophobicContact CG2-CG 3.49Å; V211-Y252 VanDerWaalsContact CG2-CG 3.49Å; I214-Y252 HydrophobicContact CD1-CD2 4.41Å; I214-Y252 HydrophobicContact CD1-CE2 3.73Å; V248-Y252 HydrophobicContact CG1-CD2 3.9Å; V248-Y252 WeakPolarHBondContact O-CB 3.43Å; V248-Y252 PolarHBondContact O-N 3.32Å; Y252-T254 VanDerWaalsContact C-N 3.31Å; Y252-T254 PolarHBondContact O-N 2.73Å; Y252-A255 PolarHBondContact O-N 3.46Å; Y252-I256 HydrophobicContact CD1-CD1 4.45Å; Y252-I256 WeakPolarHBondContact O-CB 3.44Å; Y252-I256 VanDerWaalsContact O-CG1 3.26Å; Y252-I256 WeakPolarHBondContact O-CG1 3.08Å; Y252-I256 PolarHBondContact O-N 3.08Å |
| 253 | G | 77.2 | Confident | 73.3 | Confident | 44 Ų | 44 | 45.3 Ų | 45.3 | 45% | 0.454 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S249 Y257 | S249-G253 VanDerWaalsContact O-CA 3.24Å; S249-G253 WeakPolarHBondContact O-CA 3.19Å; S249-G253 PolarHBondContact O-N 2.83Å; G253-Y257 WeakPolarHBondContact O-CB 3.35Å; G253-Y257 PolarHBondContact O-N 2.89Å |
| 254 | T | 72.6 | Confident | 71.6 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 19% | 0.19 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.4 | -41 | 176.4 | 55 | 0 | 0 | 0 | 0 | 112.1 | L250 F251 Y252 M258 Y278 | L250-T254 WeakPolarHBondContact O-CB 3.35Å; L250-T254 VanDerWaalsContact O-CG2 3.27Å; L250-T254 WeakPolarHBondContact O-CG2 3.07Å; L250-T254 PolarHBondContact O-N 3.46Å; L250-T254 PolarHBondContact O-OG1 2.9Å; F251-T254 PolarHBondContact O-N 2.74Å; F251-T254 PolarHBondContact O-OG1 3.19Å; Y252-T254 VanDerWaalsContact C-N 3.31Å; Y252-T254 PolarHBondContact O-N 2.73Å; T254-M258 WeakPolarHBondContact O-CG 3.08Å; T254-M258 PolarHBondContact O-N 2.78Å; T254-Y278 WeakPolarHBondContact OG1-CB 3.22Å |
| 255 | A | 70.1 | Confident | 69.7 | Low | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L207 F251 Y252 Y257 M258 Y259 | L207-A255 HydrophobicContact CD2-CB 3.96Å; F251-A255 WeakPolarHBondContact O-CB 3.17Å; F251-A255 PolarHBondContact O-N 3.17Å; Y252-A255 PolarHBondContact O-N 3.46Å; A255-Y257 VanDerWaalsContact C-N 3.34Å; A255-Y257 PolarHBondContact O-N 2.78Å; A255-M258 PolarHBondContact O-N 3.4Å; A255-M258 VanDerWaalsContact O-N 3.13Å; A255-Y259 HydrophobicContact CB-CD2 4.48Å; A255-Y259 VanDerWaalsContact O-CD2 3.28Å; A255-Y259 WeakPolarHBondContact O-CD2 3.41Å; A255-Y259 PolarHBondContact O-N 3.22Å |
| 256 | I | 71.3 | Confident | 67.8 | Low | 55 Ų | 55 | 54.4 Ų | 54.4 | 28% | 0.282 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 179 | -73.8 | 169 | 0 | 0 | 0 | 110.9 | Y252 M258 L260 | Y252-I256 HydrophobicContact CD1-CD1 4.45Å; Y252-I256 WeakPolarHBondContact O-CB 3.44Å; Y252-I256 VanDerWaalsContact O-CG1 3.26Å; Y252-I256 WeakPolarHBondContact O-CG1 3.08Å; Y252-I256 PolarHBondContact O-N 3.08Å; I256-M258 PolarHBondContact O-N 3.45Å; I256-L260 HydrophobicContact CG2-CD1 3.96Å; I256-L260 HydrophobicContact CG2-CG 4.44Å; I256-L260 WeakPolarHBondContact O-CB 3.42Å; I256-L260 PolarHBondContact O-N 3.5Å |
| 257 | Y | 67.3 | Low | 66 | Low | 101 Ų | 101 | 55.3 Ų | 55.3 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.8 | -37.6 | 175.7 | -177.5 | -96.4 | 0 | 0 | 0 | 111.6 | G253 A255 Q261 W270 V274 | G253-Y257 WeakPolarHBondContact O-CB 3.35Å; G253-Y257 PolarHBondContact O-N 2.89Å; A255-Y257 VanDerWaalsContact C-N 3.34Å; A255-Y257 PolarHBondContact O-N 2.78Å; Y257-Q261 WeakPolarHBondContact O-CB 2.94Å; Y257-Q261 PolarHBondContact O-OE1 2.87Å; Y257-W270 AromaticContact CE1-NE1 3.89Å; Y257-W270 PolarHBondContact OH-NE1 2.92Å; Y257-V274 HydrophobicContact CD1-CG2 4.48Å; Y257-V274 HydrophobicContact CE1-CG2 4.34Å |
| 258 | M | 61.3 | Low | 64.4 | Low | 48 Ų | 48 | 62.6 Ų | 62.6 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -77.1 | -48.4 | 179.8 | -74 | -62.9 | -80.7 | 0 | 0 | 114.3 | T254 A255 I256 G271 V274 | T254-M258 WeakPolarHBondContact O-CG 3.08Å; T254-M258 PolarHBondContact O-N 2.78Å; A255-M258 PolarHBondContact O-N 3.4Å; A255-M258 VanDerWaalsContact O-N 3.13Å; I256-M258 PolarHBondContact O-N 3.45Å; M258-G271 VanDerWaalsContact CE-O 3.28Å; M258-G271 WeakPolarHBondContact CE-O 3.37Å; M258-V274 HydrophobicContact CE-CB 4.07Å; M258-V274 HydrophobicContact CE-CG1 4.36Å; M258-V274 HydrophobicContact CG-CB 3.91Å; M258-V274 HydrophobicContact CG-CG1 3.19Å; M258-V274 HydrophobicContact SD-CB 3.38Å; M258-V274 WeakPolarHBondContact SD-CB 3.22Å; M258-V274 HydrophobicContact SD-CG1 3.39Å; M258-V274 WeakPolarHBondContact SD-CG1 3.12Å; M258-V274 HydrophobicContact SD-CG2 4.07Å |
| 259 | Y | 59.1 | Low | 62.5 | Low | 84 Ų | 84 | 65.5 Ų | 65.5 | 33% | 0.329 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -88.8 | -21.5 | -168.1 | -73.5 | -78.7 | 0 | 0 | 0 | 113.5 | L207 A255 Y278 | L207-Y259 HydrophobicContact CD1-CD2 4.26Å; L207-Y259 HydrophobicContact CD1-CG 4.32Å; A255-Y259 HydrophobicContact CB-CD2 4.48Å; A255-Y259 VanDerWaalsContact O-CD2 3.28Å; A255-Y259 WeakPolarHBondContact O-CD2 3.41Å; A255-Y259 PolarHBondContact O-N 3.22Å; Y259-Y278 PolarHBondContact OH-OH 3.37Å |
| 260 | L | 62.5 | Low | 60.7 | Low | 62 Ų | 62 | 67.6 Ų | 67.6 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -104.8 | -1.9 | -179.4 | -58.1 | -172.9 | 0 | 0 | 0 | 114 | F200 V204 L208 I256 | F200-L260 HydrophobicContact CE2-CD2 3.68Å; F200-L260 HydrophobicContact CZ-CD2 3.97Å; V204-L260 HydrophobicContact CG2-CD2 3.82Å; L208-L260 HydrophobicContact CD2-CD1 4.19Å; I256-L260 HydrophobicContact CG2-CD1 3.96Å; I256-L260 HydrophobicContact CG2-CG 4.44Å; I256-L260 WeakPolarHBondContact O-CB 3.42Å; I256-L260 PolarHBondContact O-N 3.5Å |
| 261 | Q | 56.8 | Low | 59.2 | Low | 59 Ų | 59 | 65.4 Ų | 65.4 | 28% | 0.276 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -87.3 | 134.2 | 179.5 | -167.8 | 170.7 | -10.3 | 0 | 0 | 111.4 | Y257 S265 T266 | Y257-Q261 WeakPolarHBondContact O-CB 2.94Å; Y257-Q261 PolarHBondContact O-OE1 2.87Å; Q261-S265 WeakPolarHBondContact CG-OG 3.39Å; Q261-S265 PolarHBondContact NE2-OG 2.84Å; Q261-S265 VanDerWaalsContact NE2-OG 3.17Å; Q261-T266 PolarHBondContact NE2-OG1 3.46Å |
| 262 | P | 47.8 | Very low | 57.9 | Low | 74 Ų | 74 | 65.3 Ų | 65.3 | 48% | 0.481 | 37% | 0.366 | S | S | . | . | trans | -63.2 | 137.9 | -175.7 | 19.4 | -30.4 | 0 | 0 | 0 | 112.1 | S264 S265 | P262-S264 PolarHBondContact O-N 2.82Å; P262-S265 PolarHBondContact O-N 3.3Å; P262-S265 VanDerWaalsContact O-N 3.14Å; P262-S265 PolarHBondContact O-OG 3Å | ||
| 263 | P | 48.3 | Very low | 56.6 | Low | 132 Ų | 132 | 68.2 Ų | 68.2 | 86% | 0.857 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -55.2 | -22.6 | -175.7 | -26.3 | 32.1 | 0 | 0 | 0 | 115.3 | S265 | P263-S265 VanDerWaalsContact C-N 3.33Å; P263-S265 PolarHBondContact O-N 3.28Å |
| 264 | S | 47.9 | Very low | 55.4 | Low | 117 Ų | 117 | 66.7 Ų | 66.7 | 82% | 0.818 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -80 | -5.6 | -176.8 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | P262 | P262-S264 PolarHBondContact O-N 2.82Š|
| 265 | S | 47.3 | Very low | 54.8 | Low | 64 Ų | 64 | 65.4 Ų | 65.4 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -107.6 | -1.2 | -167.3 | 64.8 | 0 | 0 | 0 | 0 | 116.2 | Q261 P262 P263 | Q261-S265 WeakPolarHBondContact CG-OG 3.39Å; Q261-S265 PolarHBondContact NE2-OG 2.84Å; Q261-S265 VanDerWaalsContact NE2-OG 3.17Å; P262-S265 PolarHBondContact O-N 3.3Å; P262-S265 VanDerWaalsContact O-N 3.14Å; P262-S265 PolarHBondContact O-OG 3Å; P263-S265 VanDerWaalsContact C-N 3.33Å; P263-S265 PolarHBondContact O-N 3.28Å |
| 266 | T | 47.3 | Very low | 54.3 | Low | 57 Ų | 57 | 66 Ų | 66 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -134.4 | 139.3 | -169.1 | -49.6 | 0 | 0 | 0 | 0 | 113 | Q261 W270 | Q261-T266 PolarHBondContact NE2-OG1 3.46Å; T266-W270 HydrophobicContact CG2-CB 3.77Å; T266-W270 HydrophobicContact CG2-CG 4.18Å |
| 267 | S | 50.1 | Low | 53.8 | Low | 77 Ų | 77 | 67.8 Ų | 67.8 | 54% | 0.538 | 36% | 0.363 | S | S | . | . | trans | -72.4 | 145.5 | 173.4 | 68.5 | 0 | 0 | 0 | 0 | 111.3 | D269 W270 | S267-D269 PolarHBondContact O-N 3.5Å; S267-D269 VanDerWaalsContact O-N 3.12Å; S267-W270 PolarHBondContact O-N 2.97Å | ||
| 268 | K | 50.4 | Low | 53.7 | Low | 153 Ų | 153 | 63.3 Ų | 63.3 | 67% | 0.665 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -54 | -33.7 | -178.6 | -66 | -178.9 | -179 | 178.5 | 0 | 113.2 | K272 | K268-K272 WeakPolarHBondContact O-CG 3.37Å; K268-K272 PolarHBondContact O-N 3.24Å |
| 269 | D | 46.9 | Very low | 53.8 | Low | 68 Ų | 68 | 61 Ų | 61 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.5 | -27.9 | 179.9 | -67.6 | -22.1 | 0 | 0 | 0 | 113.5 | F17 S267 M273 | F17-D269 HydrophobicContact CE1-CB 4.26Å; S267-D269 PolarHBondContact O-N 3.5Å; S267-D269 VanDerWaalsContact O-N 3.12Å; D269-M273 PolarHBondContact O-N 3.42Å |
| 270 | W | 47.7 | Very low | 54.3 | Low | 116 Ų | 116 | 57.1 Ų | 57.1 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -77.6 | -41.2 | -179.2 | -161.8 | -117.1 | 0 | 0 | 0 | 111.9 | Y257 T266 S267 K272 M273 V274 | Y257-W270 AromaticContact CE1-NE1 3.89Å; Y257-W270 PolarHBondContact OH-NE1 2.92Å; T266-W270 HydrophobicContact CG2-CB 3.77Å; T266-W270 HydrophobicContact CG2-CG 4.18Å; S267-W270 PolarHBondContact O-N 2.97Å; W270-K272 VanDerWaalsContact C-N 3.29Å; W270-K272 PolarHBondContact O-N 3.26Å; W270-M273 HydrophobicContact CE3-CE 4.05Å; W270-M273 HydrophobicContact CE3-SD 4.21Å; W270-M273 HydrophobicContact CH2-CE 3.56Å; W270-M273 HydrophobicContact CZ2-CE 4.47Å; W270-M273 HydrophobicContact CZ3-CE 3.31Å; W270-M273 HydrophobicContact CZ3-SD 3.84Å; W270-M273 WeakPolarHBondContact O-CB 3.28Å; W270-M273 PolarHBondContact O-N 3.48Å; W270-V274 WeakPolarHBondContact O-CG2 3.25Å; W270-V274 PolarHBondContact O-N 3.38Å |
| 271 | G | 51 | Low | 54.6 | Low | 15 Ų | 15 | 55.8 Ų | 55.8 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.3 | -38.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M258 M273 V274 S275 | M258-G271 VanDerWaalsContact CE-O 3.28Å; M258-G271 WeakPolarHBondContact CE-O 3.37Å; G271-M273 VanDerWaalsContact C-N 3.35Å; G271-M273 PolarHBondContact O-N 3.48Å; G271-V274 PolarHBondContact O-N 2.99Å; G271-S275 PolarHBondContact O-N 3.42Å; G271-S275 VanDerWaalsContact O-N 3.07Å; G271-S275 PolarHBondContact O-OG 3.26Å |
| 272 | K | 53.2 | Low | 55.4 | Low | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.017 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59 | -43 | 171.6 | -73.9 | 176.5 | -175.3 | -179.6 | 0 | 112.2 | G16 D175 F177 K268 W270 L276 | G16-K272 PolarHBondContact O-NZ 3Å; D175-K272 WeakPolarHBondContact O-CE 3.26Å; D175-K272 PolarHBondContact O-NZ 3.14Å; D175-K272 IonicContact OD1-NZ 3.94Å; D175-K272 PolarHBondContact OD1-NZ 2.77Å; D175-K272 IonicContact OD2-NZ 2.83Å; D175-K272 PolarHBondContact OD2-NZ 2.95Å; F177-K272 HydrophobicContact CD2-CB 3.79Å; F177-K272 HydrophobicContact CD2-CD 4.06Å; F177-K272 HydrophobicContact CD2-CG 3.96Å; F177-K272 HydrophobicContact CE2-CB 4.14Å; F177-K272 HydrophobicContact CE2-CD 4.15Å; F177-K272 HydrophobicContact CE2-CG 4.44Å; K268-K272 WeakPolarHBondContact O-CG 3.37Å; K268-K272 PolarHBondContact O-N 3.24Å; W270-K272 VanDerWaalsContact C-N 3.29Å; W270-K272 PolarHBondContact O-N 3.26Å; K272-L276 WeakPolarHBondContact O-CG 3.1Å; K272-L276 PolarHBondContact O-N 3.47Å |
| 273 | M | 51.8 | Low | 56.6 | Low | 66 Ų | 66 | 49.6 Ų | 49.6 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.9 | -40.9 | -179.4 | -147.4 | 176.8 | 91.6 | 0 | 0 | 111.7 | D269 W270 G271 L276 F277 | D269-M273 PolarHBondContact O-N 3.42Å; W270-M273 HydrophobicContact CE3-CE 4.05Å; W270-M273 HydrophobicContact CE3-SD 4.21Å; W270-M273 HydrophobicContact CH2-CE 3.56Å; W270-M273 HydrophobicContact CZ2-CE 4.47Å; W270-M273 HydrophobicContact CZ3-CE 3.31Å; W270-M273 HydrophobicContact CZ3-SD 3.84Å; W270-M273 WeakPolarHBondContact O-CB 3.28Å; W270-M273 PolarHBondContact O-N 3.48Å; G271-M273 VanDerWaalsContact C-N 3.35Å; G271-M273 PolarHBondContact O-N 3.48Å; M273-L276 WeakPolarHBondContact O-CB 3.25Å; M273-L276 PolarHBondContact O-N 3.34Å; M273-F277 HydrophobicContact CE-CE2 4.06Å; M273-F277 WeakPolarHBondContact O-CD2 3.28Å; M273-F277 PolarHBondContact O-N 3.08Å |
| 274 | V | 53.6 | Low | 58.1 | Low | 13 Ų | 13 | 44.8 Ų | 44.8 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.7 | -32.4 | -179.4 | -176.5 | 0 | 0 | 0 | 0 | 112 | Y257 M258 W270 G271 L276 F277 Y278 | Y257-V274 HydrophobicContact CD1-CG2 4.48Å; Y257-V274 HydrophobicContact CE1-CG2 4.34Å; M258-V274 HydrophobicContact CE-CB 4.07Å; M258-V274 HydrophobicContact CE-CG1 4.36Å; M258-V274 HydrophobicContact CG-CB 3.91Å; M258-V274 HydrophobicContact CG-CG1 3.19Å; M258-V274 HydrophobicContact SD-CB 3.38Å; M258-V274 WeakPolarHBondContact SD-CB 3.22Å; M258-V274 HydrophobicContact SD-CG1 3.39Å; M258-V274 WeakPolarHBondContact SD-CG1 3.12Å; M258-V274 HydrophobicContact SD-CG2 4.07Å; W270-V274 WeakPolarHBondContact O-CG2 3.25Å; W270-V274 PolarHBondContact O-N 3.38Å; G271-V274 PolarHBondContact O-N 2.99Å; V274-L276 VanDerWaalsContact C-N 3.28Å; V274-L276 PolarHBondContact O-N 3.12Å; V274-F277 WeakPolarHBondContact O-CA 3.41Å; V274-F277 WeakPolarHBondContact O-CB 3.41Å; V274-F277 PolarHBondContact O-N 3.22Å; V274-Y278 VanDerWaalsContact O-CD1 3.25Å; V274-Y278 WeakPolarHBondContact O-CD1 3.36Å; V274-Y278 PolarHBondContact O-N 3.16Å; V274-Y278 VanDerWaalsContact O-N 3.09Å |
| 275 | S | 59.7 | Low | 59.4 | Low | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -33.7 | 169.7 | -65.6 | 0 | 0 | 0 | 0 | 113.8 | E180 G271 F277 G279 | E180-S275 WeakPolarHBondContact OE1-CB 3.26Å; E180-S275 PolarHBondContact OE1-OG 3.14Å; G271-S275 PolarHBondContact O-N 3.42Å; G271-S275 VanDerWaalsContact O-N 3.07Å; G271-S275 PolarHBondContact O-OG 3.26Å; S275-F277 VanDerWaalsContact C-N 3.34Å; S275-G279 VanDerWaalsContact O-CA 3.29Å; S275-G279 WeakPolarHBondContact O-CA 3.32Å; S275-G279 PolarHBondContact O-N 3.07Å |
| 276 | L | 60.2 | Low | 61 | Low | 18 Ų | 18 | 38.5 Ų | 38.5 | 9% | 0.094 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.5 | -35.8 | 170.7 | -62.6 | 168.2 | 0 | 0 | 0 | 111.6 | L27 M81 F178 K272 M273 V274 I280 I281 | L27-L276 HydrophobicContact CD1-CD1 4.14Å; M81-L276 HydrophobicContact CE-CD2 3.48Å; M81-L276 VanDerWaalsContact CE-CD2 3.48Å; M81-L276 HydrophobicContact SD-CD2 4.18Å; F178-L276 HydrophobicContact CE2-CD2 4.46Å; K272-L276 WeakPolarHBondContact O-CG 3.1Å; K272-L276 PolarHBondContact O-N 3.47Å; M273-L276 WeakPolarHBondContact O-CB 3.25Å; M273-L276 PolarHBondContact O-N 3.34Å; V274-L276 VanDerWaalsContact C-N 3.28Å; V274-L276 PolarHBondContact O-N 3.12Å; L276-I280 HydrophobicContact CD2-CD1 3.53Å; L276-I280 WeakPolarHBondContact O-CA 3.37Å; L276-I280 VanDerWaalsContact O-CB 3.24Å; L276-I280 WeakPolarHBondContact O-CB 3.22Å; L276-I280 PolarHBondContact O-N 3.03Å; L276-I281 PolarHBondContact O-N 3.33Å |
| 277 | F | 60.7 | Low | 62.3 | Low | 92 Ų | 92 | 35.9 Ų | 35.9 | 40% | 0.404 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -66.9 | -53 | -179.8 | -91.9 | -85.9 | 0 | 0 | 0 | 112.7 | M273 V274 S275 I281 T282 | M273-F277 HydrophobicContact CE-CE2 4.06Å; M273-F277 WeakPolarHBondContact O-CD2 3.28Å; M273-F277 PolarHBondContact O-N 3.08Å; V274-F277 WeakPolarHBondContact O-CA 3.41Å; V274-F277 WeakPolarHBondContact O-CB 3.41Å; V274-F277 PolarHBondContact O-N 3.22Å; S275-F277 VanDerWaalsContact C-N 3.34Å; F277-I281 HydrophobicContact CD1-CB 3.93Å; F277-I281 HydrophobicContact CD1-CG1 3.93Å; F277-I281 HydrophobicContact CD1-CG2 3.96Å; F277-I281 HydrophobicContact CE1-CB 4.48Å; F277-I281 HydrophobicContact CE1-CG1 4.24Å; F277-I281 HydrophobicContact CE1-CG2 4.18Å; F277-I281 HydrophobicContact CG-CB 4.5Å; F277-I281 HydrophobicContact CG-CG1 4.26Å; F277-I281 WeakPolarHBondContact O-CA 3.4Å; F277-I281 WeakPolarHBondContact O-CB 3.26Å; F277-I281 PolarHBondContact O-N 2.85Å; F277-I281 VanDerWaalsContact O-N 3.12Å; F277-T282 PolarHBondContact O-N 3.38Å; F277-T282 PolarHBondContact O-OG1 3.01Å |
| 278 | Y | 63.7 | Low | 63.6 | Low | 7 Ų | 7 | 35.4 Ų | 35.4 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -75.9 | -31.9 | 179.5 | 82.5 | -99 | 0 | 0 | 0 | 112.1 | F104 E180 T254 Y259 V274 | F104-Y278 AromaticContact CE1-CE2 3.45Å; F104-Y278 HydrophobicContact CE1-CE2 3.45Å; F104-Y278 VanDerWaalsContact CE1-CE2 3.45Å; F104-Y278 AromaticContact CE1-CZ 3.72Å; F104-Y278 WeakPolarHBondContact CE1-OH 3.4Å; F104-Y278 HydrophobicContact CE2-CE2 4.39Å; F104-Y278 HydrophobicContact CZ-CD2 4.15Å; F104-Y278 AromaticContact CZ-CE2 3.21Å; F104-Y278 HydrophobicContact CZ-CE2 3.21Å; F104-Y278 AromaticContact CZ-CZ 3.56Å; F104-Y278 WeakPolarHBondContact CZ-OH 3.2Å; E180-Y278 PolarHBondContact OE1-OH 3.31Å; T254-Y278 WeakPolarHBondContact OG1-CB 3.22Å; Y259-Y278 PolarHBondContact OH-OH 3.37Å; V274-Y278 VanDerWaalsContact O-CD1 3.25Å; V274-Y278 WeakPolarHBondContact O-CD1 3.36Å; V274-Y278 PolarHBondContact O-N 3.16Å; V274-Y278 VanDerWaalsContact O-N 3.09Å |
| 279 | G | 64.5 | Low | 65.1 | Low | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -69.4 | -35.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y73 S275 | Y73-G279 WeakPolarHBondContact CD1-O 3.4Å; Y73-G279 WeakPolarHBondContact CE1-O 3.2Å; S275-G279 VanDerWaalsContact O-CA 3.29Å; S275-G279 WeakPolarHBondContact O-CA 3.32Å; S275-G279 PolarHBondContact O-N 3.07Å |
| 280 | I | 68.2 | Low | 66.6 | Low | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -133.8 | -44.4 | -163.5 | -52.9 | 177 | 0 | 0 | 0 | 111.4 | L31 S34 V78 M81 F178 L276 M284 | L31-I280 HydrophobicContact CD2-CD1 3.41Å; L31-I280 VanDerWaalsContact CD2-CD1 3.41Å; L31-I280 HydrophobicContact CD2-CG2 4.33Å; S34-I280 VanDerWaalsContact OG-CG2 3.27Å; S34-I280 WeakPolarHBondContact OG-CG2 3.37Å; V78-I280 HydrophobicContact CG2-CD1 4.09Å; V78-I280 HydrophobicContact CG2-CG1 4.13Å; V78-I280 HydrophobicContact CG2-CG2 4.11Å; M81-I280 HydrophobicContact CE-CD1 4.36Å; M81-I280 HydrophobicContact SD-CD1 3.76Å; F178-I280 HydrophobicContact CE2-CD1 4.24Å; F178-I280 HydrophobicContact CZ-CD1 4.07Å; L276-I280 HydrophobicContact CD2-CD1 3.53Å; L276-I280 WeakPolarHBondContact O-CA 3.37Å; L276-I280 VanDerWaalsContact O-CB 3.24Å; L276-I280 WeakPolarHBondContact O-CB 3.22Å; L276-I280 PolarHBondContact O-N 3.03Å; I280-M284 WeakPolarHBondContact O-CB 3.43Å; I280-M284 PolarHBondContact O-N 3.15Å |
| 281 | I | 69.9 | Low | 67.8 | Low | 33 Ų | 33 | 21.2 Ų | 21.2 | 17% | 0.169 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -74.3 | -40.6 | -176.3 | -56.3 | -60.4 | 0 | 0 | 0 | 111.3 | L276 F277 M284 L285 | L276-I281 PolarHBondContact O-N 3.33Å; F277-I281 HydrophobicContact CD1-CB 3.93Å; F277-I281 HydrophobicContact CD1-CG1 3.93Å; F277-I281 HydrophobicContact CD1-CG2 3.96Å; F277-I281 HydrophobicContact CE1-CB 4.48Å; F277-I281 HydrophobicContact CE1-CG1 4.24Å; F277-I281 HydrophobicContact CE1-CG2 4.18Å; F277-I281 HydrophobicContact CG-CB 4.5Å; F277-I281 HydrophobicContact CG-CG1 4.26Å; F277-I281 WeakPolarHBondContact O-CA 3.4Å; F277-I281 WeakPolarHBondContact O-CB 3.26Å; F277-I281 PolarHBondContact O-N 2.85Å; F277-I281 VanDerWaalsContact O-N 3.12Å; I281-M284 HydrophobicContact CG2-CE 4.32Å; I281-M284 WeakPolarHBondContact O-CB 3.38Å; I281-M284 PolarHBondContact O-N 3.21Å; I281-L285 HydrophobicContact CG2-CD1 3.8Å; I281-L285 HydrophobicContact CG2-CG 4.2Å; I281-L285 VanDerWaalsContact O-CG 3.29Å; I281-L285 WeakPolarHBondContact O-CG 3.47Å; I281-L285 PolarHBondContact O-N 2.85Å |
| 282 | T | 72.5 | Confident | 68.8 | Low | 4 Ų | 4 | 25.5 Ų | 25.5 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.3 | -52 | 177.8 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | F251 F277 M284 L285 N286 | F251-T282 HydrophobicContact CB-CG2 4.02Å; F251-T282 HydrophobicContact CD2-CG2 4.17Å; F277-T282 PolarHBondContact O-N 3.38Å; F277-T282 PolarHBondContact O-OG1 3.01Å; T282-M284 VanDerWaalsContact C-N 3.26Å; T282-M284 PolarHBondContact O-N 3.49Å; T282-L285 PolarHBondContact O-N 3.49Å; T282-N286 PolarHBondContact O-N 3.25Å; T282-N286 PolarHBondContact O-OD1 2.86Å |
| 283 | P | 73.3 | Confident | 69.8 | Low | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.4 | -34.1 | 173.4 | -26.4 | 34.1 | 0 | 0 | 0 | 114.2 | T38 D70 Y73 P287 | T38-P283 HydrophobicContact CG2-CB 4.11Å; D70-P283 HydrophobicContact CB-CB 4.01Å; Y73-P283 HydrophobicContact CD1-CG 3.89Å; Y73-P283 HydrophobicContact CE1-CG 4.37Å; P283-P287 WeakPolarHBondContact O-CD 3.42Å |
| 284 | M | 79.4 | Confident | 71.1 | Confident | 30 Ų | 30 | 30.3 Ų | 30.3 | 15% | 0.148 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.6 | -37.7 | 175.9 | -176.6 | -159 | 72.1 | 0 | 0 | 112.2 | S34 I37 T38 I280 I281 T282 | S34-M284 VanDerWaalsContact CB-SD 3.58Å; I37-M284 HydrophobicContact CB-CG 3.99Å; I37-M284 HydrophobicContact CD1-SD 4.38Å; I37-M284 HydrophobicContact CG2-CG 3.76Å; T38-M284 VanDerWaalsContact OG1-CA 3.22Å; T38-M284 WeakPolarHBondContact OG1-CA 3.19Å; T38-M284 WeakPolarHBondContact OG1-CB 3.14Å; I280-M284 WeakPolarHBondContact O-CB 3.43Å; I280-M284 PolarHBondContact O-N 3.15Å; I281-M284 HydrophobicContact CG2-CE 4.32Å; I281-M284 WeakPolarHBondContact O-CB 3.38Å; I281-M284 PolarHBondContact O-N 3.21Å; T282-M284 VanDerWaalsContact C-N 3.26Å; T282-M284 PolarHBondContact O-N 3.49Å |
| 285 | L | 76.2 | Confident | 72.4 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 25% | 0.246 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -78.8 | -27.6 | -179.3 | -68.7 | 174.9 | 0 | 0 | 0 | 112.7 | L250 I281 T282 L288 I289 | L250-L285 HydrophobicContact CD1-CD1 3.84Å; I281-L285 HydrophobicContact CG2-CD1 3.8Å; I281-L285 HydrophobicContact CG2-CG 4.2Å; I281-L285 VanDerWaalsContact O-CG 3.29Å; I281-L285 WeakPolarHBondContact O-CG 3.47Å; I281-L285 PolarHBondContact O-N 2.85Å; T282-L285 PolarHBondContact O-N 3.49Å; L285-L288 HydrophobicContact CD2-CD1 4.45Å; L285-L288 PolarHBondContact O-N 3.5Å; L285-L288 VanDerWaalsContact O-N 3.11Å; L285-I289 HydrophobicContact CB-CD1 3.96Å; L285-I289 VanDerWaalsContact O-CG1 3.29Å; L285-I289 WeakPolarHBondContact O-CG1 3.24Å; L285-I289 PolarHBondContact O-N 2.93Å |
| 286 | N | 80.3 | Confident | 73.5 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -50.3 | -54.3 | -179.4 | -79.1 | -8.3 | 0 | 0 | 0 | 112.3 | D70 V247 T282 L288 I289 Y290 | D70-N286 PolarHBondContact OD1-ND2 3.4Å; D70-N286 WeakPolarHBondContact OD2-CB 3.26Å; D70-N286 PolarHBondContact OD2-ND2 3.33Å; V247-N286 VanDerWaalsContact CG1-OD1 3.25Å; V247-N286 WeakPolarHBondContact CG1-OD1 3.21Å; T282-N286 PolarHBondContact O-N 3.25Å; T282-N286 PolarHBondContact O-OD1 2.86Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-L288 PolarHBondContact O-N 3.49Å; N286-I289 PolarHBondContact O-N 3.47Å; N286-Y290 WeakPolarHBondContact O-CD2 3.35Å; N286-Y290 PolarHBondContact O-N 3.44Å |
| 287 | P | 75.5 | Confident | 74.6 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 177.7 | -26.9 | 33.5 | 0 | 0 | 0 | 114.3 | N42 I45 P283 S291 | N42-P287 HydrophobicContact CB-CG 4.47Å; N42-P287 VanDerWaalsContact ND2-CG 3.29Å; N42-P287 WeakPolarHBondContact ND2-CG 3.22Å; I45-P287 VanDerWaalsContact CD1-CA 3.45Å; I45-P287 HydrophobicContact CD1-CB 3.71Å; I45-P287 HydrophobicContact CD1-CG 4.34Å; P283-P287 WeakPolarHBondContact O-CD 3.42Å; P287-S291 WeakPolarHBondContact O-CB 3.28Å; P287-S291 PolarHBondContact O-N 3.02Å; P287-S291 PolarHBondContact O-OG 3.4Å |
| 288 | L | 77.6 | Confident | 75.7 | Confident | 66 Ų | 66 | 38.7 Ų | 38.7 | 35% | 0.346 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.1 | -41.2 | -179.2 | -62.3 | 177.2 | 0 | 0 | 0 | 110.8 | I37 L285 N286 L292 | I37-L288 HydrophobicContact CG2-CD1 4.43Å; I37-L288 HydrophobicContact CG2-CG 4.5Å; L285-L288 HydrophobicContact CD2-CD1 4.45Å; L285-L288 PolarHBondContact O-N 3.5Å; L285-L288 VanDerWaalsContact O-N 3.11Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-L288 PolarHBondContact O-N 3.49Å; L288-L292 HydrophobicContact CB-CD1 4.24Å; L288-L292 HydrophobicContact CD2-CD1 4.09Å; L288-L292 WeakPolarHBondContact O-CA 3.48Å; L288-L292 WeakPolarHBondContact O-CB 3.38Å; L288-L292 WeakPolarHBondContact O-CG 3.38Å; L288-L292 PolarHBondContact O-N 2.96Å |
| 289 | I | 81.8 | Confident | 76.8 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.9 | -49.2 | 179.2 | -64.9 | 161.7 | 0 | 0 | 0 | 110.3 | S243 I246 V247 L250 L285 N286 S291 R293 | S243-I289 WeakPolarHBondContact O-CG2 3.28Å; I246-I289 HydrophobicContact CG2-CD1 3.82Å; I246-I289 HydrophobicContact CG2-CG1 4.44Å; V247-I289 HydrophobicContact CG2-CB 4.08Å; V247-I289 HydrophobicContact CG2-CD1 3.78Å; V247-I289 HydrophobicContact CG2-CG2 3.82Å; L250-I289 HydrophobicContact CD1-CD1 3.89Å; L285-I289 HydrophobicContact CB-CD1 3.96Å; L285-I289 VanDerWaalsContact O-CG1 3.29Å; L285-I289 WeakPolarHBondContact O-CG1 3.24Å; L285-I289 PolarHBondContact O-N 2.93Å; N286-I289 PolarHBondContact O-N 3.47Å; I289-S291 PolarHBondContact O-N 3.46Å; I289-R293 WeakPolarHBondContact O-CB 3.38Å; I289-R293 PolarHBondContact O-N 2.73Å |
| 290 | Y | 77.1 | Confident | 77.8 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72 | -26.7 | -178.7 | -73.3 | -64.3 | 0 | 0 | 0 | 113.7 | M59 L63 L66 M118 H244 V247 N286 N294 M297 | M59-Y290 HydrophobicContact CE-CE1 3.84Å; L63-Y290 HydrophobicContact CD1-CD1 4.04Å; L63-Y290 HydrophobicContact CD1-CD2 3.34Å; L63-Y290 HydrophobicContact CD1-CE1 4.3Å; L63-Y290 HydrophobicContact CD1-CE2 3.63Å; L63-Y290 HydrophobicContact CD1-CG 3.58Å; L63-Y290 HydrophobicContact CD2-CG 4.27Å; L66-Y290 HydrophobicContact CD2-CE2 3.9Å; M118-Y290 HydrophobicContact CE-CE1 4.14Å; M118-Y290 WeakPolarHBondContact CE-OH 3.36Å; H244-Y290 PolarHBondContact CD2-OH 3.05Å; H244-Y290 VanDerWaalsContact CD2-OH 3.28Å; V247-Y290 HydrophobicContact CB-CE2 4.44Å; V247-Y290 HydrophobicContact CG1-CE2 4.31Å; V247-Y290 HydrophobicContact CG2-CD2 4.39Å; V247-Y290 HydrophobicContact CG2-CE2 3.75Å; N286-Y290 WeakPolarHBondContact O-CD2 3.35Å; N286-Y290 PolarHBondContact O-N 3.44Å; Y290-N294 WeakPolarHBondContact O-CB 3.39Å; Y290-M297 WeakPolarHBondContact O-CB 3.19Å |
| 291 | S | 73.3 | Confident | 78.7 | Confident | 19 Ų | 19 | 43.3 Ų | 43.3 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -88.7 | -48.5 | 176 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | P287 I289 K298 | P287-S291 WeakPolarHBondContact O-CB 3.28Å; P287-S291 PolarHBondContact O-N 3.02Å; P287-S291 PolarHBondContact O-OG 3.4Å; I289-S291 PolarHBondContact O-N 3.46Å; S291-K298 WeakPolarHBondContact O-CG 3.08Å |
| 292 | L | 72.9 | Confident | 79.5 | Confident | 105 Ų | 105 | 48 Ų | 48 | 55% | 0.55 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -83.9 | -16.1 | -171.5 | -58 | 175.3 | 0 | 0 | 0 | 113.8 | L288 K298 | L288-L292 HydrophobicContact CB-CD1 4.24Å; L288-L292 HydrophobicContact CD2-CD1 4.09Å; L288-L292 WeakPolarHBondContact O-CA 3.48Å; L288-L292 WeakPolarHBondContact O-CB 3.38Å; L288-L292 WeakPolarHBondContact O-CG 3.38Å; L288-L292 PolarHBondContact O-N 2.96Å; L292-K298 WeakPolarHBondContact O-CE 3.33Å; L292-K298 PolarHBondContact O-NZ 3.12Å |
| 293 | R | 74.3 | Confident | 80.2 | Confident | 166 Ų | 166 | 51.6 Ų | 51.6 | 63% | 0.626 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -106.2 | -17.8 | 174.7 | -69.2 | -162.6 | 168.5 | -150.3 | 0.1 | 114.2 | I289 | I289-R293 WeakPolarHBondContact O-CB 3.38Å; I289-R293 PolarHBondContact O-N 2.73Å |
| 294 | N | 78.6 | Confident | 80.7 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | trans | -92 | 115.7 | 179.1 | -170.2 | -29.7 | 0 | 0 | 0 | 111.3 | Y60 Y290 D296 M297 K298 | Y60-N294 PolarHBondContact OH-ND2 3.37Å; Y60-N294 PolarHBondContact OH-OD1 2.94Å; Y290-N294 WeakPolarHBondContact O-CB 3.39Å; N294-D296 VanDerWaalsContact C-N 3.33Å; N294-D296 PolarHBondContact O-N 3.4Å; N294-D296 WeakPolarHBondContact OD1-CB 3.46Å; N294-D296 PolarHBondContact OD1-N 2.79Å; N294-M297 HydrophobicContact CB-CB 3.89Å; N294-M297 PolarHBondContact O-N 3.07Å; N294-M297 PolarHBondContact OD1-N 2.93Å; N294-K298 WeakPolarHBondContact O-CG 3.48Å; N294-K298 PolarHBondContact O-N 2.84Å | ||
| 295 | K | 80.3 | Confident | 80.7 | Confident | 145 Ų | 145 | 53.1 Ų | 53.1 | 63% | 0.63 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60.5 | -41.5 | 179.2 | -173.7 | -179.1 | 177.6 | -176.6 | 0 | 111.9 | M297 K298 E299 | K295-M297 VanDerWaalsContact C-N 3.31Å; K295-M297 PolarHBondContact O-N 3.04Å; K295-K298 PolarHBondContact O-N 3.45Å; K295-E299 HydrophobicContact CG-CG 4.43Å; K295-E299 WeakPolarHBondContact O-CG 2.9Å; K295-E299 PolarHBondContact O-N 3.02Å |
| 296 | D | 82.8 | Confident | 81 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 35% | 0.348 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | -177.4 | -60.5 | -23.1 | 0 | 0 | 0 | 110.4 | L55 Y60 N294 E299 A300 | L55-D296 HydrophobicContact CD2-CB 4.4Å; Y60-D296 WeakPolarHBondContact OH-CB 3.45Å; N294-D296 VanDerWaalsContact C-N 3.33Å; N294-D296 PolarHBondContact O-N 3.4Å; N294-D296 WeakPolarHBondContact OD1-CB 3.46Å; N294-D296 PolarHBondContact OD1-N 2.79Å; D296-E299 PolarHBondContact O-N 3.35Å; D296-A300 WeakPolarHBondContact O-CB 3.12Å; D296-A300 PolarHBondContact O-N 3.48Å |
| 297 | M | 83.6 | Confident | 81 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 175.3 | -172.3 | 55.8 | 82.3 | 0 | 0 | 111.4 | I45 V48 L55 Y60 L63 Y290 N294 K295 E299 A300 F301 | I45-M297 HydrophobicContact CG2-CE 4.16Å; V48-M297 HydrophobicContact CB-SD 4.49Å; V48-M297 HydrophobicContact CG1-SD 3.85Å; L55-M297 HydrophobicContact CD1-CE 4.3Å; L55-M297 HydrophobicContact CD1-SD 4.06Å; Y60-M297 HydrophobicContact CD1-CE 3.75Å; Y60-M297 HydrophobicContact CE1-CE 3.66Å; L63-M297 HydrophobicContact CD2-CE 3.77Å; Y290-M297 WeakPolarHBondContact O-CB 3.19Å; N294-M297 HydrophobicContact CB-CB 3.89Å; N294-M297 PolarHBondContact O-N 3.07Å; N294-M297 PolarHBondContact OD1-N 2.93Å; K295-M297 VanDerWaalsContact C-N 3.31Å; K295-M297 PolarHBondContact O-N 3.04Å; M297-E299 VanDerWaalsContact C-N 3.3Å; M297-E299 PolarHBondContact O-N 2.89Å; M297-A300 WeakPolarHBondContact O-CB 3.08Å; M297-A300 PolarHBondContact O-N 3.01Å; M297-A300 VanDerWaalsContact O-N 3.13Å; M297-F301 HydrophobicContact CG-CD2 3.71Å; M297-F301 HydrophobicContact CG-CE2 3.5Å; M297-F301 VanDerWaalsContact O-CD2 3.23Å; M297-F301 WeakPolarHBondContact O-CD2 3.1Å; M297-F301 PolarHBondContact O-N 3.48Å; M297-F301 HydrophobicContact SD-CD2 3.88Å; M297-F301 HydrophobicContact SD-CE2 3.53Å; M297-F301 VanDerWaalsContact SD-CE2 3.53Å; M297-F301 HydrophobicContact SD-CZ 4.46Å |
| 298 | K | 84.6 | Confident | 80.9 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.1 | -45.4 | 174.8 | -73.2 | -175.3 | -179.7 | 177.8 | 0 | 112.9 | S291 L292 N294 K295 A300 F301 K302 | S291-K298 WeakPolarHBondContact O-CG 3.08Å; L292-K298 WeakPolarHBondContact O-CE 3.33Å; L292-K298 PolarHBondContact O-NZ 3.12Å; N294-K298 WeakPolarHBondContact O-CG 3.48Å; N294-K298 PolarHBondContact O-N 2.84Å; K295-K298 PolarHBondContact O-N 3.45Å; K298-A300 VanDerWaalsContact C-N 3.31Å; K298-F301 WeakPolarHBondContact O-CB 3.36Å; K298-F301 PolarHBondContact O-N 3.17Å; K298-K302 WeakPolarHBondContact O-CG 2.92Å; K298-K302 PolarHBondContact O-N 3.1Å |
| 299 | E | 86.8 | Confident | 80.6 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.2 | -33.1 | -179.2 | -68.9 | -56.2 | 130.7 | 0 | 0 | 111.5 | K295 D296 M297 K302 R303 | K295-E299 HydrophobicContact CG-CG 4.43Å; K295-E299 WeakPolarHBondContact O-CG 2.9Å; K295-E299 PolarHBondContact O-N 3.02Å; D296-E299 PolarHBondContact O-N 3.35Å; M297-E299 VanDerWaalsContact C-N 3.3Å; M297-E299 PolarHBondContact O-N 2.89Å; E299-K302 IonicContact OE1-NZ 2.69Å; E299-K302 PolarHBondContact OE1-NZ 3.32Å; E299-R303 WeakPolarHBondContact O-CG 3.32Å; E299-R303 PolarHBondContact O-N 2Å; E299-R303 PolarHBondContact O-NH1 3.19Å |
| 300 | A | 85.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.3 | -43.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | V48 D52 L55 D296 M297 K298 K302 R303 V304 | V48-A300 HydrophobicContact CG1-CB 3.49Å; V48-A300 VanDerWaalsContact CG1-CB 3.49Å; D52-A300 HydrophobicContact CB-CB 4.24Å; D52-A300 WeakPolarHBondContact OD2-CA 3.45Å; D52-A300 VanDerWaalsContact OD2-CB 3.3Å; D52-A300 WeakPolarHBondContact OD2-CB 3.47Å; L55-A300 HydrophobicContact CD1-CB 3.39Å; L55-A300 HydrophobicContact CD2-CB 4.15Å; L55-A300 HydrophobicContact CG-CB 3.84Å; D296-A300 WeakPolarHBondContact O-CB 3.12Å; D296-A300 PolarHBondContact O-N 3.48Å; M297-A300 WeakPolarHBondContact O-CB 3.08Å; M297-A300 PolarHBondContact O-N 3.01Å; M297-A300 VanDerWaalsContact O-N 3.13Å; K298-A300 VanDerWaalsContact C-N 3.31Å; A300-K302 VanDerWaalsContact C-N 3.31Å; A300-K302 PolarHBondContact O-N 3.39Å; A300-R303 PolarHBondContact O-N 3.14Å; A300-V304 WeakPolarHBondContact O-CB 3.33Å; A300-V304 WeakPolarHBondContact O-CG2 3.31Å; A300-V304 PolarHBondContact O-N 3.06Å |
| 301 | F | 85.9 | Confident | 78.6 | Confident | 38 Ų | 38 | 81.2 Ų | 81.2 | 17% | 0.167 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -54.4 | -46.3 | 172.8 | -89.2 | -73.1 | 0 | 0 | 0 | 111.8 | I45 V48 M297 K298 R303 V304 M305 | I45-F301 HydrophobicContact CG1-CZ 4.28Å; V48-F301 HydrophobicContact CG2-CD1 3.74Å; V48-F301 HydrophobicContact CG2-CE1 3.67Å; V48-F301 HydrophobicContact CG2-CG 4.23Å; V48-F301 HydrophobicContact CG2-CZ 4.09Å; M297-F301 HydrophobicContact CG-CD2 3.71Å; M297-F301 HydrophobicContact CG-CE2 3.5Å; M297-F301 VanDerWaalsContact O-CD2 3.23Å; M297-F301 WeakPolarHBondContact O-CD2 3.1Å; M297-F301 PolarHBondContact O-N 3.48Å; M297-F301 HydrophobicContact SD-CD2 3.88Å; M297-F301 HydrophobicContact SD-CE2 3.53Å; M297-F301 VanDerWaalsContact SD-CE2 3.53Å; M297-F301 HydrophobicContact SD-CZ 4.46Å; K298-F301 WeakPolarHBondContact O-CB 3.36Å; K298-F301 PolarHBondContact O-N 3.17Å; F301-R303 VanDerWaalsContact C-N 3.27Å; F301-R303 PolarHBondContact O-N 3.43Å; F301-V304 PolarHBondContact O-N 2.99Å; F301-M305 HydrophobicContact CB-CG 4.39Å; F301-M305 HydrophobicContact CD1-CG 3.68Å; F301-M305 HydrophobicContact CD1-SD 4.01Å; F301-M305 HydrophobicContact CE1-SD 4.3Å; F301-M305 WeakPolarHBondContact O-CB 2.95Å; F301-M305 WeakPolarHBondContact O-CG 3.47Å; F301-M305 PolarHBondContact O-N 2.72Å |
| 302 | K | 86.7 | Confident | 77.5 | Confident | 133 Ų | 133 | 90.2 Ų | 90.2 | 58% | 0.578 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.3 | -32 | 176.3 | -71.4 | 175.8 | -175.2 | 171.1 | 0 | 113.5 | K298 E299 A300 P306 | K298-K302 WeakPolarHBondContact O-CG 2.92Å; K298-K302 PolarHBondContact O-N 3.1Å; E299-K302 IonicContact OE1-NZ 2.69Å; E299-K302 PolarHBondContact OE1-NZ 3.32Å; A300-K302 VanDerWaalsContact C-N 3.31Å; A300-K302 PolarHBondContact O-N 3.39Å; K302-P306 WeakPolarHBondContact O-CD 3.44Å; K302-P306 VanDerWaalsContact O-CG 3.3Å; K302-P306 WeakPolarHBondContact O-CG 3.49Å |
| 303 | R | 86.6 | Confident | 76 | Confident | 78 Ų | 78 | 98.2 Ų | 98.2 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -80.1 | -39.6 | 179.4 | -73.3 | -173.8 | -64.4 | -89.5 | 3.8 | 113 | D52 E299 A300 F301 R307 | D52-R303 IonicContact OD1-NH2 3.16Å; D52-R303 IonicContact OD2-CZ 2.77Å; D52-R303 IonicContact OD2-NE 2.84Å; D52-R303 PolarHBondContact OD2-NE 3.46Å; D52-R303 IonicContact OD2-NH2 2.89Å; D52-R303 PolarHBondContact OD2-NH2 3.37Å; E299-R303 WeakPolarHBondContact O-CG 3.32Å; E299-R303 PolarHBondContact O-N 2Å; E299-R303 PolarHBondContact O-NH1 3.19Å; A300-R303 PolarHBondContact O-N 3.14Å; F301-R303 VanDerWaalsContact C-N 3.27Å; F301-R303 PolarHBondContact O-N 3.43Å; R303-R307 PolarHBondContact O-NE 3.31Å |
| 304 | V | 84.2 | Confident | 76.1 | Confident | 5 Ų | 5 | 94.9 Ų | 94.9 | 3% | 0.03 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -93.2 | -42.2 | -168.8 | 175.9 | 0 | 0 | 0 | 0 | 112 | V48 L51 D52 A300 F301 R307 I308 | V48-V304 HydrophobicContact CG2-CB 4.27Å; V48-V304 HydrophobicContact CG2-CG1 4.21Å; L51-V304 HydrophobicContact CB-CG1 3.86Å; L51-V304 HydrophobicContact CB-CG2 4.34Å; L51-V304 HydrophobicContact CD1-CG1 3.69Å; L51-V304 HydrophobicContact CG-CG1 4.45Å; D52-V304 HydrophobicContact CB-CG2 3.9Å; A300-V304 WeakPolarHBondContact O-CB 3.33Å; A300-V304 WeakPolarHBondContact O-CG2 3.31Å; A300-V304 PolarHBondContact O-N 3.06Å; F301-V304 PolarHBondContact O-N 2.99Å; V304-R307 WeakPolarHBondContact O-CB 2.96Å; V304-R307 PolarHBondContact O-N 2.99Å; V304-I308 HydrophobicContact CG1-CD1 3.61Å; V304-I308 HydrophobicContact CG1-CG1 4.08Å; V304-I308 PolarHBondContact O-N 3.05Å |
| 305 | M | 80.6 | Confident | 76 | Confident | 57 Ų | 57 | 99.6 Ų | 99.6 | 28% | 0.281 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -56.8 | -43.6 | -176.6 | -68 | -69.4 | -74.2 | 0 | 0 | 113.1 | F301 R307 I308 F309 | F301-M305 HydrophobicContact CB-CG 4.39Å; F301-M305 HydrophobicContact CD1-CG 3.68Å; F301-M305 HydrophobicContact CD1-SD 4.01Å; F301-M305 HydrophobicContact CE1-SD 4.3Å; F301-M305 WeakPolarHBondContact O-CB 2.95Å; F301-M305 WeakPolarHBondContact O-CG 3.47Å; F301-M305 PolarHBondContact O-N 2.72Å; M305-R307 PolarHBondContact O-N 3.14Å; M305-I308 PolarHBondContact O-N 3.28Å; M305-I308 VanDerWaalsContact O-N 3.16Å; M305-F309 HydrophobicContact CB-CD2 4.48Å; M305-F309 HydrophobicContact CE-CD2 3.72Å; M305-F309 HydrophobicContact CE-CE2 3.13Å; M305-F309 HydrophobicContact CE-CZ 3.93Å; M305-F309 WeakPolarHBondContact O-CD2 3.37Å; M305-F309 PolarHBondContact O-N 3.47Å; M305-F309 HydrophobicContact SD-CD2 4.23Å; M305-F309 HydrophobicContact SD-CE2 3.72Å |
| 306 | P | 82.1 | Confident | 75.8 | Confident | 62 Ų | 62 | 97.1 Ų | 97.1 | 40% | 0.403 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.1 | -31.6 | 177 | -24.1 | 35.4 | 0 | 0 | 0 | 113.2 | K302 F310 | K302-P306 WeakPolarHBondContact O-CD 3.44Å; K302-P306 VanDerWaalsContact O-CG 3.3Å; K302-P306 WeakPolarHBondContact O-CG 3.49Å; P306-F310 HydrophobicContact CB-CD2 4.33Å; P306-F310 CarbonylContact O-C 3.4Å; P306-F310 WeakPolarHBondContact O-CA 3.22Å; P306-F310 VanDerWaalsContact O-CB 3.23Å; P306-F310 WeakPolarHBondContact O-CB 3.42Å; P306-F310 PolarHBondContact O-N 3.14Å |
| 307 | R | 80.3 | Confident | 75.3 | Confident | 187 Ų | 187 | 99 Ų | 99 | 71% | 0.706 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -74 | -30.3 | 179.4 | -59.2 | 177.7 | -178.7 | -175.3 | -3.1 | 112.7 | R303 V304 M305 | R303-R307 PolarHBondContact O-NE 3.31Å; V304-R307 WeakPolarHBondContact O-CB 2.96Å; V304-R307 PolarHBondContact O-N 2.99Å; M305-R307 PolarHBondContact O-N 3.14Å |
| 308 | I | 72.4 | Confident | 74.8 | Confident | 66 Ų | 66 | 105.2 Ų | 105.2 | 34% | 0.338 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78.2 | -47.4 | 178.5 | -63.3 | 175.2 | 0 | 0 | 0 | 110.5 | M47 L51 V304 M305 | M47-I308 HydrophobicContact CE-CD1 4.44Å; L51-I308 HydrophobicContact CD1-CD1 3.73Å; L51-I308 HydrophobicContact CD1-CG1 4.02Å; V304-I308 HydrophobicContact CG1-CD1 3.61Å; V304-I308 HydrophobicContact CG1-CG1 4.08Å; V304-I308 PolarHBondContact O-N 3.05Å; M305-I308 PolarHBondContact O-N 3.28Å; M305-I308 VanDerWaalsContact O-N 3.16Å |
| 309 | F | 71.9 | Confident | 74.2 | Confident | 141 Ų | 141 | 106.1 Ų | 106.1 | 62% | 0.618 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -87.8 | -28.8 | -172.9 | -73.2 | -85.7 | 0 | 0 | 0 | 113.4 | M305 | M305-F309 HydrophobicContact CB-CD2 4.48Å; M305-F309 HydrophobicContact CE-CD2 3.72Å; M305-F309 HydrophobicContact CE-CE2 3.13Å; M305-F309 HydrophobicContact CE-CZ 3.93Å; M305-F309 WeakPolarHBondContact O-CD2 3.37Å; M305-F309 PolarHBondContact O-N 3.47Å; M305-F309 HydrophobicContact SD-CD2 4.23Å; M305-F309 HydrophobicContact SD-CE2 3.72Å |
| 310 | F | 64.6 | Low | 73.3 | Confident | 160 Ų | 160 | 108.7 Ų | 108.7 | 70% | 0.702 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -109.3 | 86.5 | 171.2 | -53.4 | -81.9 | 0 | 0 | 0 | 107.7 | P306 K312 | P306-F310 HydrophobicContact CB-CD2 4.33Å; P306-F310 CarbonylContact O-C 3.4Å; P306-F310 WeakPolarHBondContact O-CA 3.22Å; P306-F310 VanDerWaalsContact O-CB 3.23Å; P306-F310 WeakPolarHBondContact O-CB 3.42Å; P306-F310 PolarHBondContact O-N 3.14Å; F310-K312 PolarHBondContact O-N 2.96Å |
| 311 | C | 52.7 | Low | 72.3 | Confident | 113 Ų | 113 | 117.1 Ų | 117.1 | 76% | 0.764 | 54% | 0.537 | S | S | * | . | trans | -52.7 | 111.2 | 160.9 | -93.1 | 0 | 0 | 0 | 0 | 107.1 | K313 | C311-K313 VanDerWaalsContact C-N 3.29Å; C311-K313 PolarHBondContact O-N 2.84Å | ||
| 312 | K | 49.3 | Very low | 71.2 | Confident | 209 Ų | 209 | 123.7 Ų | 123.7 | 91% | 0.909 | 57% | 0.567 | S | S | * | * | trans | -61.3 | 102.3 | 162.1 | -89.7 | -170.7 | 172.5 | -172.2 | 0 | 106 | F310 | F310-K312 PolarHBondContact O-N 2.96Š| ||
| 313 | K | 42.9 | Very low | 69.8 | Low | 273 Ų | 273 | 122.8 Ų | 122.8 | 100% | 1.187 | 57% | 0.566 | S | S | * | * | trans | -64.3 | 0 | 164.5 | -138.4 | -176.9 | -173.1 | -176.6 | 0 | 109.1 | C311 | C311-K313 VanDerWaalsContact C-N 3.29Å; C311-K313 PolarHBondContact O-N 2.84Å |
Retrieved 313 of 313 residues in 79.6 ms
(Link to these results)