| 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 | 40.4 | Very low | 48.6 | Very low | 232 Ų | 232 | 132 Ų | 132 | 100% | 1.143 | 67% | 0.667 | S | S | * | * | 0 | 22.4 | 0 | -71.2 | 167.5 | 167.7 | 0 | 0 | 113.7 | |||||
| 2 | G | 47.9 | Very low | 49.3 | Very low | 54 Ų | 54 | 126.8 Ų | 126.8 | 56% | 0.557 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -89.1 | -12.2 | -166.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 3 | L | 46.9 | Very low | 49.3 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 78% | 0.78 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -81.3 | -24.9 | -175.2 | -70.1 | 168.9 | 0 | 0 | 0 | 113.8 | S6 | L3-S6 PolarHBondContact O-OG 2.91Å |
| 4 | L | 48 | Very low | 49.7 | Very low | 139 Ų | 139 | 118.9 Ų | 118.9 | 73% | 0.728 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -78.4 | -34.5 | 179.7 | -65.9 | 174.5 | 0 | 0 | 0 | 111.7 | K7 Q8 | L4-K7 PolarHBondContact O-N 3.2Å; L4-Q8 WeakPolarHBondContact O-CG 3.38Å; L4-Q8 PolarHBondContact O-N 2.88Å |
| 5 | Q | 49.5 | Very low | 50.5 | Low | 136 Ų | 136 | 114.4 Ų | 114.4 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.2 | -39.2 | 178.1 | -75.8 | 178.7 | -25.7 | 0 | 0 | 112.4 | K7 Q8 L9 | Q5-K7 PolarHBondContact O-N 2.89Å; Q5-Q8 PolarHBondContact O-N 3.48Å; Q5-L9 PolarHBondContact O-N 2.88Å |
| 6 | S | 51.6 | Low | 51 | Low | 56 Ų | 56 | 111.3 Ų | 111.3 | 39% | 0.392 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.3 | -35.4 | 179.8 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | L3 K10 | L3-S6 PolarHBondContact O-OG 2.91Å; S6-K10 WeakPolarHBondContact O-CB 3.32Å; S6-K10 WeakPolarHBondContact O-CG 3.47Å; S6-K10 PolarHBondContact O-N 2.68Å |
| 7 | K | 49.3 | Very low | 51.5 | Low | 153 Ų | 153 | 110.1 Ų | 110.1 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.7 | -40.8 | 173.8 | -81 | -169.3 | 177 | -168.8 | 0 | 112.1 | L4 Q5 K10 K11 | L4-K7 PolarHBondContact O-N 3.2Å; Q5-K7 PolarHBondContact O-N 2.89Å; K7-K10 PolarHBondContact O-N 3.41Å; K7-K11 WeakPolarHBondContact O-CB 3.29Å; K7-K11 PolarHBondContact O-N 3.24Å |
| 8 | Q | 51.6 | Low | 52.4 | Low | 140 Ų | 140 | 111 Ų | 111 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.1 | -42 | 177.1 | -67.2 | -75.2 | -37.5 | 0 | 0 | 111.2 | L4 Q5 K11 S12 | L4-Q8 WeakPolarHBondContact O-CG 3.38Å; L4-Q8 PolarHBondContact O-N 2.88Å; Q5-Q8 PolarHBondContact O-N 3.48Å; Q8-K11 PolarHBondContact O-N 3.24Å; Q8-S12 PolarHBondContact O-N 2.9Å |
| 9 | L | 49.1 | Very low | 52.6 | Low | 86 Ų | 86 | 111.8 Ų | 111.8 | 45% | 0.45 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.9 | -43.6 | 176.2 | -84.1 | 155.4 | 0 | 0 | 0 | 113.1 | Q5 K11 S12 Y13 | Q5-L9 PolarHBondContact O-N 2.88Å; L9-K11 VanDerWaalsContact C-N 3.27Å; L9-K11 PolarHBondContact O-N 3.36Å; L9-S12 PolarHBondContact O-N 3.4Å; L9-Y13 PolarHBondContact O-N 3.48Å |
| 10 | K | 49.4 | Very low | 52.8 | Low | 151 Ų | 151 | 108.4 Ų | 108.4 | 66% | 0.657 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -58.5 | -40.2 | 173.4 | -84.2 | 174.1 | 177.3 | -81.8 | 0 | 111.8 | S6 K7 Y13 S14 | S6-K10 WeakPolarHBondContact O-CB 3.32Å; S6-K10 WeakPolarHBondContact O-CG 3.47Å; S6-K10 PolarHBondContact O-N 2.68Å; K7-K10 PolarHBondContact O-N 3.41Å; K10-Y13 PolarHBondContact O-N 3.34Å; K10-S14 PolarHBondContact O-N 3.03Å; K10-S14 PolarHBondContact O-OG 3.41Å |
| 11 | K | 50.9 | Low | 53.2 | Low | 156 Ų | 156 | 110.2 Ų | 110.2 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.2 | -34.5 | 179.8 | -148.8 | 173.2 | -170.9 | -177.9 | 0 | 112.4 | K7 Q8 L9 S14 A15 | K7-K11 WeakPolarHBondContact O-CB 3.29Å; K7-K11 PolarHBondContact O-N 3.24Å; Q8-K11 PolarHBondContact O-N 3.24Å; L9-K11 VanDerWaalsContact C-N 3.27Å; L9-K11 PolarHBondContact O-N 3.36Å; K11-S14 PolarHBondContact O-OG 2.94Å; K11-A15 VanDerWaalsContact O-CB 3.3Å; K11-A15 WeakPolarHBondContact O-CB 3.3Å; K11-A15 PolarHBondContact O-N 3.24Å; K11-A15 VanDerWaalsContact O-N 3.13Å |
| 12 | S | 57.1 | Low | 54.3 | Low | 70 Ų | 70 | 103.8 Ų | 103.8 | 49% | 0.49 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -45 | 173.1 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | Q8 L9 A15 V16 | Q8-S12 PolarHBondContact O-N 2.9Å; L9-S12 PolarHBondContact O-N 3.4Å; S12-A15 WeakPolarHBondContact O-CB 3.32Å; S12-A15 PolarHBondContact O-N 3.4Å; S12-V16 WeakPolarHBondContact O-CG2 3.45Å; S12-V16 PolarHBondContact O-N 3.15Å |
| 13 | Y | 49.9 | Very low | 54.9 | Low | 81 Ų | 81 | 104 Ų | 104 | 32% | 0.318 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 179.2 | -103.1 | -74.2 | 0 | 0 | 0 | 114 | L9 K10 A15 V16 L17 L134 | L9-Y13 PolarHBondContact O-N 3.48Å; K10-Y13 PolarHBondContact O-N 3.34Å; Y13-A15 VanDerWaalsContact C-N 3.29Å; Y13-A15 PolarHBondContact O-N 2.99Å; Y13-V16 PolarHBondContact O-N 3.48Å; Y13-L17 PolarHBondContact O-N 3.31Å; Y13-L134 HydrophobicContact CD1-CD1 4.47Å; Y13-L134 HydrophobicContact CD1-CD2 3.62Å; Y13-L134 HydrophobicContact CD2-CD1 3.97Å; Y13-L134 HydrophobicContact CE1-CD1 3.91Å; Y13-L134 HydrophobicContact CE1-CD2 2.96Å; Y13-L134 HydrophobicContact CE1-CG 3.96Å; Y13-L134 HydrophobicContact CE2-CD1 3.28Å; Y13-L134 HydrophobicContact CE2-CD2 4.1Å; Y13-L134 HydrophobicContact CE2-CG 4.24Å; Y13-L134 HydrophobicContact CG-CD1 4.5Å; Y13-L134 HydrophobicContact CG-CD2 4.41Å; Y13-L134 WeakPolarHBondContact OH-CD1 3.34Å; Y13-L134 WeakPolarHBondContact OH-CD2 3.49Å |
| 14 | S | 54.5 | Low | 55.7 | Low | 62 Ų | 62 | 102.4 Ų | 102.4 | 43% | 0.434 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 172.6 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | K10 K11 V16 L17 E18 | K10-S14 PolarHBondContact O-N 3.03Å; K10-S14 PolarHBondContact O-OG 3.41Å; K11-S14 PolarHBondContact O-OG 2.94Å; S14-V16 VanDerWaalsContact C-N 3.33Å; S14-V16 PolarHBondContact O-N 2.99Å; S14-L17 PolarHBondContact O-N 3.27Å; S14-E18 VanDerWaalsContact O-CB 3.31Å; S14-E18 WeakPolarHBondContact O-CB 3.47Å; S14-E18 PolarHBondContact O-N 3.27Å |
| 15 | A | 61.8 | Low | 56.4 | Low | 51 Ų | 51 | 100.9 Ų | 100.9 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -34.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K11 S12 Y13 K19 | K11-A15 VanDerWaalsContact O-CB 3.3Å; K11-A15 WeakPolarHBondContact O-CB 3.3Å; K11-A15 PolarHBondContact O-N 3.24Å; K11-A15 VanDerWaalsContact O-N 3.13Å; S12-A15 WeakPolarHBondContact O-CB 3.32Å; S12-A15 PolarHBondContact O-N 3.4Å; Y13-A15 VanDerWaalsContact C-N 3.29Å; Y13-A15 PolarHBondContact O-N 2.99Å; A15-K19 WeakPolarHBondContact O-CB 3.41Å; A15-K19 PolarHBondContact O-N 3.43Å |
| 16 | V | 58.4 | Low | 56.9 | Low | 65 Ų | 65 | 99.6 Ų | 99.6 | 39% | 0.394 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.9 | -33.1 | 175.1 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | S12 Y13 S14 L20 | S12-V16 WeakPolarHBondContact O-CG2 3.45Å; S12-V16 PolarHBondContact O-N 3.15Å; Y13-V16 PolarHBondContact O-N 3.48Å; S14-V16 VanDerWaalsContact C-N 3.33Å; S14-V16 PolarHBondContact O-N 2.99Å; V16-L20 PolarHBondContact O-N 3.16Å |
| 17 | L | 59.6 | Low | 57.2 | Low | 91 Ų | 91 | 100.3 Ų | 100.3 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.5 | -45.3 | 178.4 | -146.8 | 77.4 | 0 | 0 | 0 | 111.9 | Y13 S14 K19 L20 E21 F138 | Y13-L17 PolarHBondContact O-N 3.31Å; S14-L17 PolarHBondContact O-N 3.27Å; L17-K19 VanDerWaalsContact C-N 3.31Å; L17-K19 PolarHBondContact O-N 3.49Å; L17-L20 WeakPolarHBondContact O-CA 3.38Å; L17-L20 VanDerWaalsContact O-CB 3.3Å; L17-L20 WeakPolarHBondContact O-CB 3.5Å; L17-L20 PolarHBondContact O-N 2.99Å; L17-E21 PolarHBondContact O-N 3.06Å; L17-F138 HydrophobicContact CD1-CE1 3.71Å; L17-F138 HydrophobicContact CD1-CZ 3.52Å |
| 18 | E | 67 | Low | 57.5 | Low | 126 Ų | 126 | 98.1 Ų | 98.1 | 59% | 0.589 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.4 | -42.3 | 175.2 | -171.4 | 168.8 | -170.9 | 0 | 0 | 110.5 | S14 L20 E21 D22 | S14-E18 VanDerWaalsContact O-CB 3.31Å; S14-E18 WeakPolarHBondContact O-CB 3.47Å; S14-E18 PolarHBondContact O-N 3.27Å; E18-L20 PolarHBondContact O-N 3.05Å; E18-E21 PolarHBondContact O-N 3.3Å; E18-D22 WeakPolarHBondContact O-CB 3.33Å; E18-D22 PolarHBondContact O-N 2.95Å |
| 19 | K | 56.8 | Low | 57.6 | Low | 127 Ų | 127 | 99.9 Ų | 99.9 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -26 | 173.9 | -166 | 173.9 | -178.9 | -178 | 0 | 113.3 | A15 L17 E23 | A15-K19 WeakPolarHBondContact O-CB 3.41Å; A15-K19 PolarHBondContact O-N 3.43Å; L17-K19 VanDerWaalsContact C-N 3.31Å; L17-K19 PolarHBondContact O-N 3.49Å; K19-E23 WeakPolarHBondContact O-CB 3.43Å; K19-E23 WeakPolarHBondContact O-CG 3.42Å; K19-E23 PolarHBondContact O-N 3.22Å |
| 20 | L | 56.8 | Low | 57.8 | Low | 43 Ų | 43 | 98.4 Ų | 98.4 | 23% | 0.225 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -78.3 | -38.2 | 176.7 | -125 | 69.3 | 0 | 0 | 0 | 113.2 | V16 L17 E18 E23 I24 | V16-L20 PolarHBondContact O-N 3.16Å; L17-L20 WeakPolarHBondContact O-CA 3.38Å; L17-L20 VanDerWaalsContact O-CB 3.3Å; L17-L20 WeakPolarHBondContact O-CB 3.5Å; L17-L20 PolarHBondContact O-N 2.99Å; E18-L20 PolarHBondContact O-N 3.05Å; L20-E23 PolarHBondContact O-N 3.15Å; L20-I24 WeakPolarHBondContact O-CB 3.47Å; L20-I24 WeakPolarHBondContact O-CD1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.37Å; L20-I24 PolarHBondContact O-N 3.24Å |
| 21 | E | 61.2 | Low | 58.1 | Low | 147 Ų | 147 | 93.7 Ų | 93.7 | 69% | 0.687 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.6 | -41 | 173 | -160.7 | 151.9 | -130 | 0 | 0 | 109.9 | L17 E18 E23 I24 E25 | L17-E21 PolarHBondContact O-N 3.06Å; E18-E21 PolarHBondContact O-N 3.3Å; E21-E23 PolarHBondContact O-N 3.37Å; E21-I24 PolarHBondContact O-N 3.5Å; E21-E25 WeakPolarHBondContact O-CB 3.38Å; E21-E25 PolarHBondContact O-N 3.45Å |
| 22 | D | 63.7 | Low | 58.2 | Low | 97 Ų | 97 | 88.8 Ų | 88.8 | 52% | 0.519 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 171 | -81.3 | -19.5 | 0 | 0 | 0 | 112.3 | E18 I24 E25 E26 | E18-D22 WeakPolarHBondContact O-CB 3.33Å; E18-D22 PolarHBondContact O-N 2.95Å; D22-I24 VanDerWaalsContact C-N 3.33Å; D22-I24 PolarHBondContact O-N 3.31Å; D22-E25 PolarHBondContact O-N 3.02Å; D22-E26 WeakPolarHBondContact O-CB 3.48Å; D22-E26 WeakPolarHBondContact O-CG 3.34Å; D22-E26 PolarHBondContact O-N 3.49Å |
| 23 | E | 60.4 | Low | 57.9 | Low | 58 Ų | 58 | 89.8 Ų | 89.8 | 27% | 0.271 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.2 | -31.7 | 177.5 | -85.4 | 176.3 | -165.5 | 0 | 0 | 112.3 | K19 L20 E21 E26 L27 | K19-E23 WeakPolarHBondContact O-CB 3.43Å; K19-E23 WeakPolarHBondContact O-CG 3.42Å; K19-E23 PolarHBondContact O-N 3.22Å; L20-E23 PolarHBondContact O-N 3.15Å; E21-E23 PolarHBondContact O-N 3.37Å; E23-E26 WeakPolarHBondContact O-CG 3.47Å; E23-L27 WeakPolarHBondContact O-CB 3.44Å; E23-L27 WeakPolarHBondContact O-CD1 3.3Å; E23-L27 PolarHBondContact O-N 3.13Å |
| 24 | I | 62.5 | Low | 57.9 | Low | 115 Ų | 115 | 93.1 Ų | 93.1 | 59% | 0.59 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -77.7 | -40.6 | 175.9 | -69.8 | 165.8 | 0 | 0 | 0 | 110.5 | L20 E21 D22 L27 D28 | L20-I24 WeakPolarHBondContact O-CB 3.47Å; L20-I24 WeakPolarHBondContact O-CD1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.37Å; L20-I24 PolarHBondContact O-N 3.24Å; E21-I24 PolarHBondContact O-N 3.5Å; D22-I24 VanDerWaalsContact C-N 3.33Å; D22-I24 PolarHBondContact O-N 3.31Å; I24-L27 PolarHBondContact O-N 3Å; I24-D28 PolarHBondContact O-N 3.13Å |
| 25 | E | 64.4 | Low | 57.7 | Low | 107 Ų | 107 | 98.7 Ų | 98.7 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.8 | -38.7 | 177.2 | -164.1 | -169.6 | 138 | 0 | 0 | 111.4 | E21 D22 L27 D28 R29 | E21-E25 WeakPolarHBondContact O-CB 3.38Å; E21-E25 PolarHBondContact O-N 3.45Å; D22-E25 PolarHBondContact O-N 3.02Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.22Å; E25-D28 PolarHBondContact O-N 3.02Å; E25-R29 VanDerWaalsContact O-CB 3.3Å; E25-R29 WeakPolarHBondContact O-CB 3.34Å; E25-R29 WeakPolarHBondContact O-CG 3.32Å; E25-R29 PolarHBondContact O-N 3.06Å; E25-R29 IonicContact OE1-NE 3.67Å |
| 26 | E | 59.2 | Low | 57.1 | Low | 110 Ų | 110 | 103.1 Ų | 103.1 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.2 | -33.1 | 173.1 | 81.2 | -179.9 | 174.1 | 0 | 0 | 111.5 | D22 E23 S30 | D22-E26 WeakPolarHBondContact O-CB 3.48Å; D22-E26 WeakPolarHBondContact O-CG 3.34Å; D22-E26 PolarHBondContact O-N 3.49Å; E23-E26 WeakPolarHBondContact O-CG 3.47Å; E26-S30 WeakPolarHBondContact O-CB 3.48Å; E26-S30 PolarHBondContact O-N 3.46Å; E26-S30 PolarHBondContact O-OG 3.01Å |
| 27 | L | 57.1 | Low | 57 | Low | 71 Ų | 71 | 103.6 Ų | 103.6 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.1 | -43.6 | 173.8 | -117.3 | 90.4 | 0 | 0 | 0 | 111.8 | E23 I24 E25 S30 D31 L108 | E23-L27 WeakPolarHBondContact O-CB 3.44Å; E23-L27 WeakPolarHBondContact O-CD1 3.3Å; E23-L27 PolarHBondContact O-N 3.13Å; I24-L27 PolarHBondContact O-N 3Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.22Å; L27-S30 CarbonylContact O-C 3.42Å; L27-S30 WeakPolarHBondContact O-CA 3.44Å; L27-S30 VanDerWaalsContact O-CB 3.3Å; L27-S30 WeakPolarHBondContact O-CB 3.49Å; L27-S30 PolarHBondContact O-N 2.96Å; L27-D31 PolarHBondContact O-N 3.27Å; L27-L108 HydrophobicContact CD1-CD1 4.34Å; L27-L108 HydrophobicContact CD1-CD2 3.92Å |
| 28 | D | 56.6 | Low | 57.3 | Low | 107 Ų | 107 | 105 Ų | 105 | 57% | 0.572 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71.3 | -36.3 | 179.7 | -164.2 | 40.5 | 0 | 0 | 0 | 111.1 | I24 E25 S30 D31 A32 | I24-D28 PolarHBondContact O-N 3.13Å; E25-D28 PolarHBondContact O-N 3.02Å; D28-S30 VanDerWaalsContact C-N 3.26Å; D28-S30 PolarHBondContact O-N 3.23Å; D28-D31 PolarHBondContact O-N 2.79Å; D28-A32 WeakPolarHBondContact O-CB 3.27Å; D28-A32 PolarHBondContact O-N 3.39Å |
| 29 | R | 54.6 | Low | 57.2 | Low | 176 Ų | 176 | 108 Ų | 108 | 66% | 0.664 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.5 | -37.9 | 165.5 | -81.8 | -143.3 | -98.3 | 167.6 | -8.9 | 111.6 | E25 L33 | E25-R29 VanDerWaalsContact O-CB 3.3Å; E25-R29 WeakPolarHBondContact O-CB 3.34Å; E25-R29 WeakPolarHBondContact O-CG 3.32Å; E25-R29 PolarHBondContact O-N 3.06Å; E25-R29 IonicContact OE1-NE 3.67Å; R29-L33 VanDerWaalsContact O-CG 3.22Å; R29-L33 WeakPolarHBondContact O-CG 3.35Å; R29-L33 PolarHBondContact O-N 3.37Å; R29-L33 VanDerWaalsContact O-N 3.08Å |
| 30 | S | 52.7 | Low | 57.9 | Low | 55 Ų | 55 | 107.2 Ų | 107.2 | 39% | 0.385 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69 | -36.2 | 175.4 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | E26 L27 D28 L33 R34 | E26-S30 WeakPolarHBondContact O-CB 3.48Å; E26-S30 PolarHBondContact O-N 3.46Å; E26-S30 PolarHBondContact O-OG 3.01Å; L27-S30 CarbonylContact O-C 3.42Å; L27-S30 WeakPolarHBondContact O-CA 3.44Å; L27-S30 VanDerWaalsContact O-CB 3.3Å; L27-S30 WeakPolarHBondContact O-CB 3.49Å; L27-S30 PolarHBondContact O-N 2.96Å; D28-S30 VanDerWaalsContact C-N 3.26Å; D28-S30 PolarHBondContact O-N 3.23Å; S30-L33 CarbonylContact O-C 3.45Å; S30-L33 WeakPolarHBondContact O-CB 3.31Å; S30-L33 PolarHBondContact O-N 2.9Å; S30-R34 WeakPolarHBondContact O-CG 3.16Å; S30-R34 PolarHBondContact O-N 2.92Å |
| 31 | D | 54.5 | Low | 58.5 | Low | 52 Ų | 52 | 108.3 Ų | 108.3 | 28% | 0.278 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.7 | -38.9 | 177.7 | -82.2 | -1 | 0 | 0 | 0 | 112.2 | L27 D28 L33 R34 R35 | L27-D31 PolarHBondContact O-N 3.27Å; D28-D31 PolarHBondContact O-N 2.79Å; D31-L33 VanDerWaalsContact C-N 3.29Å; D31-L33 PolarHBondContact O-N 3.4Å; D31-R34 WeakPolarHBondContact O-CA 3.43Å; D31-R34 WeakPolarHBondContact O-CB 3.46Å; D31-R34 PolarHBondContact O-N 3.44Å; D31-R34 VanDerWaalsContact OD1-CD 3.24Å; D31-R34 WeakPolarHBondContact OD1-CD 3.42Å; D31-R34 IonicContact OD1-CZ 3.81Å; D31-R34 IonicContact OD1-NE 3.9Å; D31-R34 IonicContact OD1-NH1 3.6Å; D31-R34 PolarHBondContact OD1-NH1 3.35Å; D31-R34 IonicContact OD2-NH1 2.66Å; D31-R35 PolarHBondContact O-N 2.99Å |
| 32 | A | 53.2 | Low | 59.2 | Low | 53 Ų | 53 | 106.5 Ų | 106.5 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111.6 | D28 R34 | D28-A32 WeakPolarHBondContact O-CB 3.27Å; D28-A32 PolarHBondContact O-N 3.39Å; A32-R34 VanDerWaalsContact C-N 3.32Å |
| 33 | L | 52.2 | Low | 59.9 | Low | 91 Ų | 91 | 106.9 Ų | 106.9 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.6 | -22.7 | 171.4 | -66.6 | 172 | 0 | 0 | 0 | 112.8 | R29 S30 D31 R37 | R29-L33 VanDerWaalsContact O-CG 3.22Å; R29-L33 WeakPolarHBondContact O-CG 3.35Å; R29-L33 PolarHBondContact O-N 3.37Å; R29-L33 VanDerWaalsContact O-N 3.08Å; S30-L33 CarbonylContact O-C 3.45Å; S30-L33 WeakPolarHBondContact O-CB 3.31Å; S30-L33 PolarHBondContact O-N 2.9Å; D31-L33 VanDerWaalsContact C-N 3.29Å; D31-L33 PolarHBondContact O-N 3.4Å; L33-R37 VanDerWaalsContact CB-NH2 3.28Å; L33-R37 PolarHBondContact O-NE 3.3Å; L33-R37 PolarHBondContact O-NH2 3.37Å |
| 34 | R | 48.3 | Very low | 60.9 | Low | 152 Ų | 152 | 108.1 Ų | 108.1 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.2 | -42.6 | 176 | -78 | 169.9 | 67.9 | -137.1 | -4.1 | 111.3 | S30 D31 A32 K36 R37 | S30-R34 WeakPolarHBondContact O-CG 3.16Å; S30-R34 PolarHBondContact O-N 2.92Å; D31-R34 WeakPolarHBondContact O-CA 3.43Å; D31-R34 WeakPolarHBondContact O-CB 3.46Å; D31-R34 PolarHBondContact O-N 3.44Å; D31-R34 VanDerWaalsContact OD1-CD 3.24Å; D31-R34 WeakPolarHBondContact OD1-CD 3.42Å; D31-R34 IonicContact OD1-CZ 3.81Å; D31-R34 IonicContact OD1-NE 3.9Å; D31-R34 IonicContact OD1-NH1 3.6Å; D31-R34 PolarHBondContact OD1-NH1 3.35Å; D31-R34 IonicContact OD2-NH1 2.66Å; A32-R34 VanDerWaalsContact C-N 3.32Å; R34-K36 VanDerWaalsContact C-N 3.35Å; R34-K36 PolarHBondContact O-N 2.99Å; R34-R37 PolarHBondContact O-N 3.43Å; R34-R37 VanDerWaalsContact O-N 3.09Å |
| 35 | R | 50.6 | Low | 61.8 | Low | 178 Ų | 178 | 106.9 Ų | 106.9 | 67% | 0.672 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -37.3 | 176.7 | -71.3 | -155.3 | -68.5 | -94.7 | 2 | 113 | D31 R37 | D31-R35 PolarHBondContact O-N 2.99Å; R35-R37 PolarHBondContact O-N 3.48Å |
| 36 | K | 50.5 | Low | 62.8 | Low | 144 Ų | 144 | 108.4 Ų | 108.4 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.3 | -24.1 | 174.5 | -85.4 | -173.2 | 178.9 | 178.1 | 0 | 113.9 | R34 | R34-K36 VanDerWaalsContact C-N 3.35Å; R34-K36 PolarHBondContact O-N 2.99Å |
| 37 | R | 56 | Low | 64.1 | Low | 76 Ų | 76 | 107.2 Ų | 107.2 | 29% | 0.287 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -84.1 | -24.2 | -171.9 | -83.8 | 179.5 | -92.6 | -124.8 | 9 | 113.8 | L33 R34 R35 W39 Q40 F41 | L33-R37 VanDerWaalsContact CB-NH2 3.28Å; L33-R37 PolarHBondContact O-NE 3.3Å; L33-R37 PolarHBondContact O-NH2 3.37Å; R34-R37 PolarHBondContact O-N 3.43Å; R34-R37 VanDerWaalsContact O-N 3.09Å; R35-R37 PolarHBondContact O-N 3.48Å; R37-W39 VanDerWaalsContact C-N 3.34Å; R37-Q40 PolarHBondContact O-N 3.06Å; R37-F41 WeakPolarHBondContact O-CD2 3.35Å |
| 38 | E | 64.7 | Low | 65.4 | Low | 121 Ų | 121 | 108.9 Ų | 108.9 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 173.2 | -68.5 | 179.3 | 173.9 | 0 | 0 | 110.3 | Q40 F41 | E38-Q40 VanDerWaalsContact C-N 3.31Å; E38-Q40 PolarHBondContact O-N 2.92Å; E38-F41 PolarHBondContact O-N 2.89Å; E38-F41 VanDerWaalsContact O-N 3.11Å |
| 39 | W | 66.1 | Low | 66.7 | Low | 188 Ų | 188 | 106.8 Ų | 106.8 | 71% | 0.712 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.7 | -31 | 178.7 | -63.9 | -2.1 | 0 | 0 | 0 | 113.7 | R37 F41 D42 I43 | R37-W39 VanDerWaalsContact C-N 3.34Å; W39-F41 PolarHBondContact O-N 2.95Å; W39-D42 PolarHBondContact O-N 3.4Å; W39-I43 WeakPolarHBondContact O-CD1 3.47Å; W39-I43 VanDerWaalsContact O-CG1 3.24Å; W39-I43 WeakPolarHBondContact O-CG1 3.32Å; W39-I43 PolarHBondContact O-N 3.35Å |
| 40 | Q | 70.5 | Confident | 68.3 | Low | 110 Ų | 110 | 102 Ų | 102 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.1 | -33.2 | 175.8 | -72.6 | -178.1 | -14.1 | 0 | 0 | 111.6 | R37 E38 C44 | R37-Q40 PolarHBondContact O-N 3.06Å; E38-Q40 VanDerWaalsContact C-N 3.31Å; E38-Q40 PolarHBondContact O-N 2.92Å; Q40-C44 WeakPolarHBondContact O-CB 3.32Å; Q40-C44 PolarHBondContact O-N 3.21Å; Q40-C44 PolarHBondContact O-SG 3.25Å |
| 41 | F | 69 | Low | 70 | Confident | 66 Ų | 66 | 104.4 Ų | 104.4 | 29% | 0.289 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.4 | -45 | 178.6 | -73.2 | -71.9 | 0 | 0 | 0 | 112.4 | R37 E38 W39 I43 C44 F45 Y96 | R37-F41 WeakPolarHBondContact O-CD2 3.35Å; E38-F41 PolarHBondContact O-N 2.89Å; E38-F41 VanDerWaalsContact O-N 3.11Å; W39-F41 PolarHBondContact O-N 2.95Å; F41-I43 VanDerWaalsContact C-N 3.27Å; F41-I43 PolarHBondContact O-N 3.23Å; F41-C44 PolarHBondContact O-N 3.36Å; F41-F45 WeakPolarHBondContact O-CB 3.4Å; F41-F45 PolarHBondContact O-N 3.38Å; F41-Y96 HydrophobicContact CE2-CD1 4.3Å; F41-Y96 AromaticContact CE2-CE1 3.79Å; F41-Y96 HydrophobicContact CE2-CE1 3.79Å; F41-Y96 AromaticContact CZ-CD1 3.71Å; F41-Y96 HydrophobicContact CZ-CD1 3.71Å; F41-Y96 AromaticContact CZ-CE1 3.37Å; F41-Y96 HydrophobicContact CZ-CE1 3.37Å; F41-Y96 HydrophobicContact CZ-CE2 4.36Å; F41-Y96 HydrophobicContact CZ-CG 4.31Å; F41-Y96 AromaticContact CZ-CZ 3.7Å |
| 42 | D | 76 | Confident | 71.4 | Confident | 109 Ų | 109 | 104 Ų | 104 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.9 | -41.2 | 176 | -72.7 | -42.2 | 0 | 0 | 0 | 111.2 | W39 F45 F46 | W39-D42 PolarHBondContact O-N 3.4Å; D42-F45 PolarHBondContact O-N 3.17Å; D42-F46 PolarHBondContact O-N 3.46Å |
| 43 | I | 80.1 | Confident | 73 | Confident | 106 Ų | 106 | 108.9 Ų | 108.9 | 54% | 0.544 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 176.2 | -66.4 | 164.9 | 0 | 0 | 0 | 110.9 | W39 F41 F45 F46 V47 | W39-I43 WeakPolarHBondContact O-CD1 3.47Å; W39-I43 VanDerWaalsContact O-CG1 3.24Å; W39-I43 WeakPolarHBondContact O-CG1 3.32Å; W39-I43 PolarHBondContact O-N 3.35Å; F41-I43 VanDerWaalsContact C-N 3.27Å; F41-I43 PolarHBondContact O-N 3.23Å; I43-F45 VanDerWaalsContact C-N 3.29Å; I43-F45 PolarHBondContact O-N 3.07Å; I43-F46 PolarHBondContact O-N 3.06Å; I43-V47 HydrophobicContact CG2-CG2 4.4Å; I43-V47 WeakPolarHBondContact O-CG2 3.46Å; I43-V47 PolarHBondContact O-N 3.48Å |
| 44 | C | 80.5 | Confident | 74.8 | Confident | 83 Ų | 83 | 109.3 Ų | 109.3 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.7 | -38.6 | 177.8 | -76.6 | 0 | 0 | 0 | 0 | 112.2 | Q40 F41 F48 | Q40-C44 WeakPolarHBondContact O-CB 3.32Å; Q40-C44 PolarHBondContact O-N 3.21Å; Q40-C44 PolarHBondContact O-SG 3.25Å; F41-C44 PolarHBondContact O-N 3.36Å; C44-F48 WeakPolarHBondContact O-CB 3.44Å; C44-F48 PolarHBondContact O-N 3.35Å |
| 45 | F | 82.1 | Confident | 76.5 | Confident | 89 Ų | 89 | 107 Ų | 107 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 174.9 | 174.6 | -104 | 0 | 0 | 0 | 111.1 | F41 D42 I43 V47 F48 V49 L89 | F41-F45 WeakPolarHBondContact O-CB 3.4Å; F41-F45 PolarHBondContact O-N 3.38Å; D42-F45 PolarHBondContact O-N 3.17Å; I43-F45 VanDerWaalsContact C-N 3.29Å; I43-F45 PolarHBondContact O-N 3.07Å; F45-V47 PolarHBondContact O-N 2.86Å; F45-F48 PolarHBondContact O-N 3.27Å; F45-V49 HydrophobicContact CD2-CG2 4.37Å; F45-V49 HydrophobicContact CE1-CG2 4.15Å; F45-V49 HydrophobicContact CE2-CG2 3.98Å; F45-V49 HydrophobicContact CZ-CG2 3.87Å; F45-V49 WeakPolarHBondContact O-CG2 3.37Å; F45-V49 PolarHBondContact O-N 3.11Å; F45-L89 HydrophobicContact CD2-CD1 3.61Å; F45-L89 HydrophobicContact CD2-CD2 4.03Å; F45-L89 HydrophobicContact CD2-CG 4.5Å; F45-L89 HydrophobicContact CE2-CD1 3.57Å |
| 46 | F | 84.7 | Confident | 78 | Confident | 140 Ų | 140 | 100.9 Ų | 100.9 | 61% | 0.614 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.1 | -45.8 | 179.6 | -158.6 | -101.9 | 0 | 0 | 0 | 111.9 | D42 I43 F48 V49 I50 | D42-F46 PolarHBondContact O-N 3.46Å; I43-F46 PolarHBondContact O-N 3.06Å; F46-F48 VanDerWaalsContact C-N 3.33Å; F46-F48 PolarHBondContact O-N 3.25Å; F46-V49 PolarHBondContact O-N 3.44Å; F46-I50 HydrophobicContact CD1-CD1 3.5Å; F46-I50 HydrophobicContact CD1-CG1 4.45Å; F46-I50 HydrophobicContact CE1-CD1 3.44Å; F46-I50 VanDerWaalsContact CE1-CD1 3.44Å; F46-I50 HydrophobicContact CE1-CG1 4.43Å; F46-I50 HydrophobicContact CG-CD1 4.46Å; F46-I50 HydrophobicContact CZ-CD1 4.34Å; F46-I50 WeakPolarHBondContact O-CG1 3.3Å; F46-I50 PolarHBondContact O-N 3.04Å; F46-I50 VanDerWaalsContact O-N 3.07Å |
| 47 | V | 86.2 | Confident | 79.6 | Confident | 85 Ų | 85 | 97.5 Ų | 97.5 | 52% | 0.515 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | I43 F45 I50 L51 | I43-V47 HydrophobicContact CG2-CG2 4.4Å; I43-V47 WeakPolarHBondContact O-CG2 3.46Å; I43-V47 PolarHBondContact O-N 3.48Å; F45-V47 PolarHBondContact O-N 2.86Å; V47-I50 PolarHBondContact O-N 3.19Å; V47-L51 WeakPolarHBondContact O-CB 3.42Å; V47-L51 PolarHBondContact O-N 3.43Å |
| 48 | F | 84.1 | Confident | 80.9 | Confident | 105 Ų | 105 | 101.4 Ų | 101.4 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | -179.1 | -167.9 | -77.5 | 0 | 0 | 0 | 112.1 | C44 F45 F46 I50 L51 S52 L85 | C44-F48 WeakPolarHBondContact O-CB 3.44Å; C44-F48 PolarHBondContact O-N 3.35Å; F45-F48 PolarHBondContact O-N 3.27Å; F46-F48 VanDerWaalsContact C-N 3.33Å; F46-F48 PolarHBondContact O-N 3.25Å; F48-I50 VanDerWaalsContact C-N 3.32Å; F48-I50 PolarHBondContact O-N 2.99Å; F48-L51 PolarHBondContact O-N 3.46Å; F48-S52 WeakPolarHBondContact O-CB 3.4Å; F48-S52 PolarHBondContact O-N 3.41Å; F48-L85 HydrophobicContact CD1-CD1 3.35Å; F48-L85 HydrophobicContact CD1-CD2 3.49Å; F48-L85 VanDerWaalsContact CD1-CD2 3.49Å; F48-L85 HydrophobicContact CD1-CG 4.01Å; F48-L85 HydrophobicContact CE1-CD1 3.05Å; F48-L85 HydrophobicContact CE1-CD2 3.5Å; F48-L85 VanDerWaalsContact CE1-CD2 3.5Å; F48-L85 HydrophobicContact CE1-CG 3.81Å; F48-L85 HydrophobicContact CE2-CD1 4.46Å; F48-L85 HydrophobicContact CG-CD1 4.21Å; F48-L85 HydrophobicContact CZ-CD1 3.66Å |
| 49 | V | 84.8 | Confident | 81.4 | Confident | 64 Ų | 64 | 97.8 Ų | 97.8 | 39% | 0.388 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 176.3 | 171 | 0 | 0 | 0 | 0 | 110.7 | F45 F46 S52 Y53 | F45-V49 HydrophobicContact CD2-CG2 4.37Å; F45-V49 HydrophobicContact CE1-CG2 4.15Å; F45-V49 HydrophobicContact CE2-CG2 3.98Å; F45-V49 HydrophobicContact CZ-CG2 3.87Å; F45-V49 WeakPolarHBondContact O-CG2 3.37Å; F45-V49 PolarHBondContact O-N 3.11Å; F46-V49 PolarHBondContact O-N 3.44Å; V49-S52 PolarHBondContact O-N 3.35Å; V49-Y53 WeakPolarHBondContact O-CB 3.19Å; V49-Y53 PolarHBondContact O-N 3.46Å |
| 50 | I | 88.3 | Confident | 81.9 | Confident | 76 Ų | 76 | 90.6 Ų | 90.6 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 175.6 | -68.6 | 168.7 | 0 | 0 | 0 | 110.8 | F46 V47 F48 S52 Y53 L54 | F46-I50 HydrophobicContact CD1-CD1 3.5Å; F46-I50 HydrophobicContact CD1-CG1 4.45Å; F46-I50 HydrophobicContact CE1-CD1 3.44Å; F46-I50 VanDerWaalsContact CE1-CD1 3.44Å; F46-I50 HydrophobicContact CE1-CG1 4.43Å; F46-I50 HydrophobicContact CG-CD1 4.46Å; F46-I50 HydrophobicContact CZ-CD1 4.34Å; F46-I50 WeakPolarHBondContact O-CG1 3.3Å; F46-I50 PolarHBondContact O-N 3.04Å; F46-I50 VanDerWaalsContact O-N 3.07Å; V47-I50 PolarHBondContact O-N 3.19Å; F48-I50 VanDerWaalsContact C-N 3.32Å; F48-I50 PolarHBondContact O-N 2.99Å; I50-S52 VanDerWaalsContact C-N 3.32Å; I50-S52 PolarHBondContact O-N 3.13Å; I50-Y53 WeakPolarHBondContact O-CB 3.42Å; I50-Y53 PolarHBondContact O-N 3.39Å; I50-Y53 VanDerWaalsContact O-N 3.14Å; I50-L54 HydrophobicContact CG2-CD1 3.98Å; I50-L54 HydrophobicContact CG2-CG 4.22Å; I50-L54 WeakPolarHBondContact O-CG 3.18Å; I50-L54 PolarHBondContact O-N 2.95Å |
| 51 | L | 87.8 | Confident | 82.3 | Confident | 105 Ų | 105 | 92.6 Ų | 92.6 | 55% | 0.55 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | -179.1 | -167.9 | 74.4 | 0 | 0 | 0 | 111.3 | V47 F48 Y53 L54 L55 | V47-L51 WeakPolarHBondContact O-CB 3.42Å; V47-L51 PolarHBondContact O-N 3.43Å; F48-L51 PolarHBondContact O-N 3.46Å; L51-Y53 PolarHBondContact O-N 3.32Å; L51-L54 PolarHBondContact O-N 3.09Å; L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.45Å; L51-L55 PolarHBondContact O-N 3.17Å |
| 52 | S | 84.5 | Confident | 82.5 | Confident | 42 Ų | 42 | 93.2 Ų | 93.2 | 29% | 0.294 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -55.9 | -49.9 | 172.9 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | F48 V49 I50 L54 L55 L56 | F48-S52 WeakPolarHBondContact O-CB 3.4Å; F48-S52 PolarHBondContact O-N 3.41Å; V49-S52 PolarHBondContact O-N 3.35Å; I50-S52 VanDerWaalsContact C-N 3.32Å; I50-S52 PolarHBondContact O-N 3.13Å; S52-L54 PolarHBondContact O-N 3.21Å; S52-L55 PolarHBondContact O-N 3.42Å; S52-L56 WeakPolarHBondContact O-CB 3.1Å; S52-L56 WeakPolarHBondContact O-CD1 3.37Å; S52-L56 PolarHBondContact O-N 3.18Å |
| 53 | Y | 86.4 | Confident | 82.1 | Confident | 157 Ų | 157 | 89.2 Ų | 89.2 | 62% | 0.616 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.1 | -42.5 | 179 | 178.6 | -98.4 | 0 | 0 | 0 | 113.1 | V49 I50 L51 L55 L56 T57 | V49-Y53 WeakPolarHBondContact O-CB 3.19Å; V49-Y53 PolarHBondContact O-N 3.46Å; I50-Y53 WeakPolarHBondContact O-CB 3.42Å; I50-Y53 PolarHBondContact O-N 3.39Å; I50-Y53 VanDerWaalsContact O-N 3.14Å; L51-Y53 PolarHBondContact O-N 3.32Å; Y53-L55 VanDerWaalsContact C-N 3.34Å; Y53-L56 PolarHBondContact O-N 2.95Å; Y53-T57 PolarHBondContact O-N 3.42Å; Y53-T57 PolarHBondContact O-OG1 3.49Å |
| 54 | L | 88.8 | Confident | 81.4 | Confident | 100 Ų | 100 | 90.1 Ų | 90.1 | 52% | 0.524 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 174.8 | -71.5 | 177.8 | 0 | 0 | 0 | 111.2 | I50 L51 S52 T57 Y58 | I50-L54 HydrophobicContact CG2-CD1 3.98Å; I50-L54 HydrophobicContact CG2-CG 4.22Å; I50-L54 WeakPolarHBondContact O-CG 3.18Å; I50-L54 PolarHBondContact O-N 2.95Å; L51-L54 PolarHBondContact O-N 3.09Å; S52-L54 PolarHBondContact O-N 3.21Å; L54-T57 PolarHBondContact O-N 3.5Å; L54-Y58 VanDerWaalsContact O-CB 3.27Å; L54-Y58 WeakPolarHBondContact O-CB 3.37Å; L54-Y58 PolarHBondContact O-N 3.46Å |
| 55 | L | 85.4 | Confident | 80.6 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 53% | 0.534 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 179.4 | -160 | 68.8 | 0 | 0 | 0 | 111.1 | L51 S52 Y53 T57 I59 | L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.45Å; L51-L55 PolarHBondContact O-N 3.17Å; S52-L55 PolarHBondContact O-N 3.42Å; Y53-L55 VanDerWaalsContact C-N 3.34Å; L55-T57 PolarHBondContact O-N 3.37Å; L55-I59 HydrophobicContact CD1-CD1 4.05Å; L55-I59 HydrophobicContact CG-CD1 3.77Å; L55-I59 WeakPolarHBondContact O-CD1 3.1Å; L55-I59 WeakPolarHBondContact O-CG1 3.35Å; L55-I59 PolarHBondContact O-N 3.47Å; L55-I59 VanDerWaalsContact O-N 3.08Å |
| 56 | L | 82.5 | Confident | 79.7 | Confident | 50 Ų | 50 | 97.3 Ų | 97.3 | 26% | 0.262 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 172.7 | -84.3 | 149.1 | 0 | 0 | 0 | 112.4 | S52 Y53 G60 L78 | S52-L56 WeakPolarHBondContact O-CB 3.1Å; S52-L56 WeakPolarHBondContact O-CD1 3.37Å; S52-L56 PolarHBondContact O-N 3.18Å; Y53-L56 PolarHBondContact O-N 2.95Å; L56-G60 PolarHBondContact O-N 3.42Å; L56-L78 HydrophobicContact CD1-CD1 3.66Å; L56-L78 HydrophobicContact CD2-CB 3.77Å; L56-L78 HydrophobicContact CD2-CD1 3.62Å; L56-L78 HydrophobicContact CD2-CD2 4.12Å; L56-L78 HydrophobicContact CD2-CG 4.02Å; L56-L78 HydrophobicContact CG-CD1 4.3Å |
| 57 | T | 82.4 | Confident | 78.5 | Confident | 74 Ų | 74 | 96 Ų | 96 | 45% | 0.454 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.1 | -47.8 | 179.6 | -58.8 | 0 | 0 | 0 | 0 | 112 | Y53 L54 L55 I59 G60 F61 | Y53-T57 PolarHBondContact O-N 3.42Å; Y53-T57 PolarHBondContact O-OG1 3.49Å; L54-T57 PolarHBondContact O-N 3.5Å; L55-T57 PolarHBondContact O-N 3.37Å; T57-I59 VanDerWaalsContact C-N 3.28Å; T57-I59 PolarHBondContact O-N 3.27Å; T57-G60 PolarHBondContact O-N 3.09Å; T57-F61 PolarHBondContact O-N 3.19Å |
| 58 | Y | 84.1 | Confident | 77.5 | Confident | 157 Ų | 157 | 103.5 Ų | 103.5 | 62% | 0.616 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.2 | -45.6 | -179 | 178.1 | -105.1 | 0 | 0 | 0 | 110.7 | L54 F61 V62 | L54-Y58 VanDerWaalsContact O-CB 3.27Å; L54-Y58 WeakPolarHBondContact O-CB 3.37Å; L54-Y58 PolarHBondContact O-N 3.46Å; Y58-F61 WeakPolarHBondContact O-CB 3.36Å; Y58-F61 PolarHBondContact O-N 2.96Å; Y58-V62 HydrophobicContact CE1-CG2 4.08Å; Y58-V62 HydrophobicContact CE2-CG2 4.36Å; Y58-V62 PolarHBondContact O-N 2.87Å |
| 59 | I | 75.7 | Confident | 76.6 | Confident | 45 Ų | 45 | 108.4 Ų | 108.4 | 23% | 0.231 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -84.4 | -26.8 | -173.8 | -43.3 | 162.4 | 0 | 0 | 0 | 111.9 | L55 T57 F61 V62 G63 W74 | L55-I59 HydrophobicContact CD1-CD1 4.05Å; L55-I59 HydrophobicContact CG-CD1 3.77Å; L55-I59 WeakPolarHBondContact O-CD1 3.1Å; L55-I59 WeakPolarHBondContact O-CG1 3.35Å; L55-I59 PolarHBondContact O-N 3.47Å; L55-I59 VanDerWaalsContact O-N 3.08Å; T57-I59 VanDerWaalsContact C-N 3.28Å; T57-I59 PolarHBondContact O-N 3.27Å; I59-F61 PolarHBondContact O-N 3.2Å; I59-V62 PolarHBondContact O-N 3.01Å; I59-G63 WeakPolarHBondContact O-CA 3.11Å; I59-G63 PolarHBondContact O-N 3.33Å; I59-W74 HydrophobicContact CB-CE3 4.22Å; I59-W74 HydrophobicContact CB-CH2 3.14Å; I59-W74 HydrophobicContact CB-CZ2 3.57Å; I59-W74 HydrophobicContact CB-CZ3 3.43Å; I59-W74 VanDerWaalsContact CB-CZ3 3.43Å; I59-W74 HydrophobicContact CD1-CH2 3.25Å; I59-W74 HydrophobicContact CD1-CZ2 4.26Å; I59-W74 HydrophobicContact CD1-CZ3 3.72Å; I59-W74 HydrophobicContact CG1-CH2 3.72Å; I59-W74 HydrophobicContact CG1-CZ2 4.43Å; I59-W74 HydrophobicContact CG1-CZ3 4.13Å; I59-W74 HydrophobicContact CG2-CD2 4.45Å; I59-W74 HydrophobicContact CG2-CE3 4.47Å; I59-W74 HydrophobicContact CG2-CH2 3.02Å; I59-W74 HydrophobicContact CG2-CZ2 2.87Å; I59-W74 HydrophobicContact CG2-CZ3 3.81Å |
| 60 | G | 76.2 | Confident | 75.7 | Confident | 38 Ų | 38 | 112.1 Ų | 112.1 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.9 | -28.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L56 T57 K64 | L56-G60 PolarHBondContact O-N 3.42Å; T57-G60 PolarHBondContact O-N 3.09Å; G60-K64 WeakPolarHBondContact O-CG 3.44Å |
| 61 | F | 78.1 | Confident | 74.9 | Confident | 152 Ų | 152 | 114.5 Ų | 114.5 | 67% | 0.667 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -76.6 | -51.8 | 174.9 | -168.4 | -94.8 | 0 | 0 | 0 | 112 | T57 Y58 I59 G63 K64 | T57-F61 PolarHBondContact O-N 3.19Å; Y58-F61 WeakPolarHBondContact O-CB 3.36Å; Y58-F61 PolarHBondContact O-N 2.96Å; I59-F61 PolarHBondContact O-N 3.2Å; F61-G63 VanDerWaalsContact C-N 3.3Å; F61-G63 PolarHBondContact O-N 2.83Å; F61-K64 WeakPolarHBondContact O-CB 3.19Å; F61-K64 PolarHBondContact O-N 3.45Å; F61-K64 VanDerWaalsContact O-N 3.15Å |
| 62 | V | 74.3 | Confident | 74.4 | Confident | 78 Ų | 78 | 113.5 Ų | 113.5 | 47% | 0.473 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 177.6 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | Y58 I59 K64 E65 | Y58-V62 HydrophobicContact CE1-CG2 4.08Å; Y58-V62 HydrophobicContact CE2-CG2 4.36Å; Y58-V62 PolarHBondContact O-N 2.87Å; I59-V62 PolarHBondContact O-N 3.01Å; V62-K64 PolarHBondContact O-N 3.5Å; V62-K64 VanDerWaalsContact O-N 3.16Å; V62-E65 PolarHBondContact O-N 3.27Å |
| 63 | G | 66.9 | Low | 74.1 | Confident | 25 Ų | 25 | 118.2 Ų | 118.2 | 26% | 0.258 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.4 | -16.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | I59 F61 E65 H66 K67 | I59-G63 WeakPolarHBondContact O-CA 3.11Å; I59-G63 PolarHBondContact O-N 3.33Å; F61-G63 VanDerWaalsContact C-N 3.3Å; F61-G63 PolarHBondContact O-N 2.83Å; G63-E65 VanDerWaalsContact C-N 3.25Å; G63-E65 PolarHBondContact O-N 3.48Å; G63-H66 PolarHBondContact O-N 2.79Å; G63-K67 WeakPolarHBondContact O-CG 3.3Å; G63-K67 PolarHBondContact O-N 3.24Å |
| 64 | K | 64.8 | Low | 73.5 | Confident | 125 Ų | 125 | 114.5 Ų | 114.5 | 54% | 0.543 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -33.6 | 177.8 | -69.4 | -165 | 161.3 | 136.2 | 0 | 113 | G60 F61 V62 K67 | G60-K64 WeakPolarHBondContact O-CG 3.44Å; F61-K64 WeakPolarHBondContact O-CB 3.19Å; F61-K64 PolarHBondContact O-N 3.45Å; F61-K64 VanDerWaalsContact O-N 3.15Å; V62-K64 PolarHBondContact O-N 3.5Å; V62-K64 VanDerWaalsContact O-N 3.16Å; K64-K67 VanDerWaalsContact CA-CE 3.48Å; K64-K67 WeakPolarHBondContact O-CD 3.22Å; K64-K67 WeakPolarHBondContact O-CG 3.37Å |
| 65 | E | 65.3 | Low | 73 | Confident | 171 Ų | 171 | 115.7 Ų | 115.7 | 80% | 0.799 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -35.5 | -176.7 | -148.5 | 92.6 | -173.9 | 0 | 0 | 112.3 | V62 G63 | V62-E65 PolarHBondContact O-N 3.27Å; G63-E65 VanDerWaalsContact C-N 3.25Å; G63-E65 PolarHBondContact O-N 3.48Å |
| 66 | H | 61.7 | Low | 73 | Confident | 153 Ų | 153 | 116.8 Ų | 116.8 | 71% | 0.708 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 32.8 | -175 | -79 | -53.6 | 0 | 0 | 0 | 113.7 | G63 R68 | G63-H66 PolarHBondContact O-N 2.79Å; H66-R68 VanDerWaalsContact C-N 3.29Å; H66-R68 PolarHBondContact O-N 2.94Å |
| 67 | K | 60.2 | Low | 73 | Confident | 111 Ų | 111 | 119 Ų | 119 | 48% | 0.483 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.8 | -16.9 | -160.2 | -106.9 | 176.4 | -173.7 | -145 | 0 | 119.5 | G63 K64 | G63-K67 WeakPolarHBondContact O-CG 3.3Å; G63-K67 PolarHBondContact O-N 3.24Å; K64-K67 VanDerWaalsContact CA-CE 3.48Å; K64-K67 WeakPolarHBondContact O-CD 3.22Å; K64-K67 WeakPolarHBondContact O-CG 3.37Å |
| 68 | R | 64.5 | Low | 73 | Confident | 244 Ų | 244 | 119.7 Ų | 119.7 | 92% | 0.921 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -21.9 | -165.5 | -160 | 167.8 | 177.9 | -142.4 | -1.4 | 116.1 | H66 | H66-R68 VanDerWaalsContact C-N 3.29Å; H66-R68 PolarHBondContact O-N 2.94Å |
| 69 | R | 65.8 | Low | 73 | Confident | 208 Ų | 208 | 118.3 Ų | 118.3 | 79% | 0.785 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | -21.3 | -170.2 | -145 | 168.2 | -171.6 | 173.8 | 0.8 | 115.8 | ||
| 70 | Y | 65.8 | Low | 73.5 | Confident | 142 Ų | 142 | 121.6 Ų | 121.6 | 56% | 0.557 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -112.2 | 1.2 | -171 | -58.3 | -71.6 | 0 | 0 | 0 | 115.1 | P72 F73 W74 | Y70-P72 VanDerWaalsContact C-N 3.34Å; Y70-F73 HydrophobicContact CD1-CD2 4.08Å; Y70-F73 HydrophobicContact CD1-CE2 4.42Å; Y70-F73 PolarHBondContact O-N 2.68Å; Y70-W74 VanDerWaalsContact O-CD1 3.23Å |
| 71 | E | 71.9 | Confident | 73.8 | Confident | 125 Ų | 125 | 121 Ų | 121 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -45.3 | -45.8 | 173.3 | -84.6 | -175.2 | 112.1 | 0 | 0 | 114.9 | F73 W74 | E71-F73 PolarHBondContact O-N 3.06Å; E71-W74 PolarHBondContact O-N 2.88Å |
| 72 | P | 76.5 | Confident | 74 | Confident | 84 Ų | 84 | 121.6 Ų | 121.6 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.2 | -31 | -175.9 | 25.3 | -33.5 | 0 | 0 | 0 | 113.4 | Y70 W74 L75 F76 | Y70-P72 VanDerWaalsContact C-N 3.34Å; P72-W74 VanDerWaalsContact C-N 3.26Å; P72-W74 PolarHBondContact O-N 3.41Å; P72-L75 PolarHBondContact O-N 2.82Å; P72-F76 PolarHBondContact O-N 2.74Å; P72-F76 VanDerWaalsContact O-N 3.1Å |
| 73 | F | 78.1 | Confident | 74.6 | Confident | 141 Ų | 141 | 121 Ų | 121 | 62% | 0.618 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.6 | -31.8 | 179 | -72.6 | -81.3 | 0 | 0 | 0 | 111.8 | Y70 E71 F76 I77 | Y70-F73 HydrophobicContact CD1-CD2 4.08Å; Y70-F73 HydrophobicContact CD1-CE2 4.42Å; Y70-F73 PolarHBondContact O-N 2.68Å; E71-F73 PolarHBondContact O-N 3.06Å; F73-F76 PolarHBondContact O-N 3.48Å; F73-I77 PolarHBondContact O-N 3.28Å |
| 74 | W | 74.6 | Confident | 75.5 | Confident | 80 Ų | 80 | 125 Ų | 125 | 30% | 0.303 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.7 | -45.7 | 176.7 | -78.4 | 98.9 | 0 | 0 | 0 | 113.2 | I59 Y70 E71 P72 F76 I77 L78 | I59-W74 HydrophobicContact CB-CE3 4.22Å; I59-W74 HydrophobicContact CB-CH2 3.14Å; I59-W74 HydrophobicContact CB-CZ2 3.57Å; I59-W74 HydrophobicContact CB-CZ3 3.43Å; I59-W74 VanDerWaalsContact CB-CZ3 3.43Å; I59-W74 HydrophobicContact CD1-CH2 3.25Å; I59-W74 HydrophobicContact CD1-CZ2 4.26Å; I59-W74 HydrophobicContact CD1-CZ3 3.72Å; I59-W74 HydrophobicContact CG1-CH2 3.72Å; I59-W74 HydrophobicContact CG1-CZ2 4.43Å; I59-W74 HydrophobicContact CG1-CZ3 4.13Å; I59-W74 HydrophobicContact CG2-CD2 4.45Å; I59-W74 HydrophobicContact CG2-CE3 4.47Å; I59-W74 HydrophobicContact CG2-CH2 3.02Å; I59-W74 HydrophobicContact CG2-CZ2 2.87Å; I59-W74 HydrophobicContact CG2-CZ3 3.81Å; Y70-W74 VanDerWaalsContact O-CD1 3.23Å; E71-W74 PolarHBondContact O-N 2.88Å; P72-W74 VanDerWaalsContact C-N 3.26Å; P72-W74 PolarHBondContact O-N 3.41Å; W74-F76 PolarHBondContact O-N 2.85Å; W74-I77 HydrophobicContact CE3-CG2 4.01Å; W74-I77 HydrophobicContact CZ3-CG2 3.94Å; W74-I77 WeakPolarHBondContact O-CG2 3.24Å; W74-I77 PolarHBondContact O-N 3.48Å; W74-L78 PolarHBondContact O-N 2.77Å; W74-L78 VanDerWaalsContact O-N 3.15Å |
| 75 | L | 78.8 | Confident | 76.4 | Confident | 124 Ų | 124 | 120.3 Ų | 120.3 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.5 | -36.9 | 176.1 | -66.2 | 172.2 | 0 | 0 | 0 | 110.5 | P72 L78 L79 | P72-L75 PolarHBondContact O-N 2.82Å; L75-L78 PolarHBondContact O-N 3.48Å; L75-L79 WeakPolarHBondContact O-CB 3.17Å; L75-L79 PolarHBondContact O-N 2.84Å |
| 76 | F | 83.9 | Confident | 77.3 | Confident | 126 Ų | 126 | 116.1 Ų | 116.1 | 55% | 0.553 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.8 | -46.9 | 177.5 | -163.9 | -98.5 | 0 | 0 | 0 | 112.4 | P72 F73 W74 L78 L79 F80 | P72-F76 PolarHBondContact O-N 2.74Å; P72-F76 VanDerWaalsContact O-N 3.1Å; F73-F76 PolarHBondContact O-N 3.48Å; W74-F76 PolarHBondContact O-N 2.85Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 3.39Å; F76-L79 PolarHBondContact O-N 3.43Å; F76-F80 HydrophobicContact CE1-CB 4.47Å; F76-F80 HydrophobicContact CE1-CD2 4.17Å; F76-F80 HydrophobicContact CE1-CG 4.34Å; F76-F80 HydrophobicContact CE2-CD2 4.17Å; F76-F80 AromaticContact CZ-CD2 3.77Å; F76-F80 HydrophobicContact CZ-CD2 3.77Å; F76-F80 HydrophobicContact CZ-CE2 4.05Å; F76-F80 HydrophobicContact CZ-CG 4.38Å; F76-F80 WeakPolarHBondContact O-CB 3.41Å; F76-F80 PolarHBondContact O-N 2.97Å |
| 77 | I | 82.6 | Confident | 78.5 | Confident | 97 Ų | 97 | 115 Ų | 115 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 178.9 | -167.4 | 72.4 | 0 | 0 | 0 | 111.8 | F73 W74 G81 | F73-I77 PolarHBondContact O-N 3.28Å; W74-I77 HydrophobicContact CE3-CG2 4.01Å; W74-I77 HydrophobicContact CZ3-CG2 3.94Å; W74-I77 WeakPolarHBondContact O-CG2 3.24Å; W74-I77 PolarHBondContact O-N 3.48Å; I77-G81 WeakPolarHBondContact O-CA 3.22Å; I77-G81 PolarHBondContact O-N 2.75Å |
| 78 | L | 83.5 | Confident | 79.5 | Confident | 88 Ų | 88 | 112.9 Ų | 112.9 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69 | -46.2 | 175.4 | -179.5 | 52 | 0 | 0 | 0 | 111.3 | L56 W74 L75 F76 F80 Y82 | L56-L78 HydrophobicContact CD1-CD1 3.66Å; L56-L78 HydrophobicContact CD2-CB 3.77Å; L56-L78 HydrophobicContact CD2-CD1 3.62Å; L56-L78 HydrophobicContact CD2-CD2 4.12Å; L56-L78 HydrophobicContact CD2-CG 4.02Å; L56-L78 HydrophobicContact CG-CD1 4.3Å; W74-L78 PolarHBondContact O-N 2.77Å; W74-L78 VanDerWaalsContact O-N 3.15Å; L75-L78 PolarHBondContact O-N 3.48Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 3.39Å; L78-F80 PolarHBondContact O-N 3.02Å; L78-Y82 PolarHBondContact O-N 3Å |
| 79 | L | 84.6 | Confident | 80.3 | Confident | 128 Ų | 128 | 104.1 Ų | 104.1 | 67% | 0.67 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | -179.2 | -175.2 | 66.4 | 0 | 0 | 0 | 112 | L75 F76 P83 | L75-L79 WeakPolarHBondContact O-CB 3.17Å; L75-L79 PolarHBondContact O-N 2.84Å; F76-L79 PolarHBondContact O-N 3.43Å; L79-P83 WeakPolarHBondContact O-CD 3.44Å; L79-P83 WeakPolarHBondContact O-CG 3.22Å |
| 80 | F | 84.8 | Confident | 81.1 | Confident | 114 Ų | 114 | 103.5 Ų | 103.5 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -85.9 | -33.4 | 179.5 | -125.7 | -97.6 | 0 | 0 | 0 | 112.4 | F76 L78 Y82 P83 F84 | F76-F80 HydrophobicContact CE1-CB 4.47Å; F76-F80 HydrophobicContact CE1-CD2 4.17Å; F76-F80 HydrophobicContact CE1-CG 4.34Å; F76-F80 HydrophobicContact CE2-CD2 4.17Å; F76-F80 AromaticContact CZ-CD2 3.77Å; F76-F80 HydrophobicContact CZ-CD2 3.77Å; F76-F80 HydrophobicContact CZ-CE2 4.05Å; F76-F80 HydrophobicContact CZ-CG 4.38Å; F76-F80 WeakPolarHBondContact O-CB 3.41Å; F76-F80 PolarHBondContact O-N 2.97Å; L78-F80 PolarHBondContact O-N 3.02Å; F80-Y82 PolarHBondContact O-N 2.66Å; F80-P83 VanDerWaalsContact O-CD 3.28Å; F80-P83 WeakPolarHBondContact O-CD 3.3Å; F80-P83 WeakPolarHBondContact O-CG 3.5Å; F80-F84 WeakPolarHBondContact O-CB 3.23Å; F80-F84 PolarHBondContact O-N 2.97Å |
| 81 | G | 83.6 | Confident | 81.9 | Confident | 26 Ų | 26 | 104 Ų | 104 | 27% | 0.268 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I77 L85 | I77-G81 WeakPolarHBondContact O-CA 3.22Å; I77-G81 PolarHBondContact O-N 2.75Å; G81-L85 WeakPolarHBondContact O-CB 3.49Å; G81-L85 PolarHBondContact O-N 3.24Å |
| 82 | Y | 82 | Confident | 82.3 | Confident | 163 Ų | 163 | 102.6 Ų | 102.6 | 64% | 0.639 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.1 | -56.1 | 179.9 | -170.1 | -98.2 | 0 | 0 | 0 | 114 | L78 F80 L85 L86 | L78-Y82 PolarHBondContact O-N 3Å; F80-Y82 PolarHBondContact O-N 2.66Å; Y82-L85 PolarHBondContact O-N 3.18Å; Y82-L86 HydrophobicContact CD1-CD1 4.03Å; Y82-L86 HydrophobicContact CE1-CD1 3.59Å; Y82-L86 WeakPolarHBondContact O-CG 3.37Å; Y82-L86 PolarHBondContact O-N 3.43Å |
| 83 | P | 87.1 | Confident | 82.2 | Confident | 67 Ų | 67 | 104.4 Ų | 104.4 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67 | -37 | 178.1 | 26.4 | -34.6 | 0 | 0 | 0 | 112.5 | L79 F80 L85 L86 Y87 | L79-P83 WeakPolarHBondContact O-CD 3.44Å; L79-P83 WeakPolarHBondContact O-CG 3.22Å; F80-P83 VanDerWaalsContact O-CD 3.28Å; F80-P83 WeakPolarHBondContact O-CD 3.3Å; F80-P83 WeakPolarHBondContact O-CG 3.5Å; P83-L85 VanDerWaalsContact C-N 3.29Å; P83-L85 PolarHBondContact O-N 2.82Å; P83-L86 PolarHBondContact O-N 2.9Å; P83-Y87 WeakPolarHBondContact O-CB 3.44Å; P83-Y87 PolarHBondContact O-N 2.99Å |
| 84 | F | 86.1 | Confident | 82 | Confident | 109 Ų | 109 | 101 Ų | 101 | 48% | 0.478 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 177.9 | -171.9 | -107.6 | 0 | 0 | 0 | 111.4 | F80 Y87 L88 | F80-F84 WeakPolarHBondContact O-CB 3.23Å; F80-F84 PolarHBondContact O-N 2.97Å; F84-Y87 PolarHBondContact O-N 3.29Å; F84-L88 HydrophobicContact CD1-CD1 3.72Å; F84-L88 HydrophobicContact CD1-CG 4.19Å; F84-L88 HydrophobicContact CE1-CD1 3.25Å; F84-L88 HydrophobicContact CE1-CG 3.88Å; F84-L88 HydrophobicContact CE2-CG 4.49Å; F84-L88 HydrophobicContact CZ-CD1 3.79Å; F84-L88 HydrophobicContact CZ-CD2 4.31Å; F84-L88 HydrophobicContact CZ-CG 4.03Å; F84-L88 WeakPolarHBondContact O-CB 3.43Å; F84-L88 WeakPolarHBondContact O-CG 3.34Å; F84-L88 PolarHBondContact O-N 2.85Å |
| 85 | L | 83.9 | Confident | 82 | Confident | 25 Ų | 25 | 103.6 Ų | 103.6 | 13% | 0.131 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -62.9 | -50.2 | 176 | -178.9 | 56.1 | 0 | 0 | 0 | 111.7 | F48 G81 Y82 P83 Y87 L88 L89 | F48-L85 HydrophobicContact CD1-CD1 3.35Å; F48-L85 HydrophobicContact CD1-CD2 3.49Å; F48-L85 VanDerWaalsContact CD1-CD2 3.49Å; F48-L85 HydrophobicContact CD1-CG 4.01Å; F48-L85 HydrophobicContact CE1-CD1 3.05Å; F48-L85 HydrophobicContact CE1-CD2 3.5Å; F48-L85 VanDerWaalsContact CE1-CD2 3.5Å; F48-L85 HydrophobicContact CE1-CG 3.81Å; F48-L85 HydrophobicContact CE2-CD1 4.46Å; F48-L85 HydrophobicContact CG-CD1 4.21Å; F48-L85 HydrophobicContact CZ-CD1 3.66Å; G81-L85 WeakPolarHBondContact O-CB 3.49Å; G81-L85 PolarHBondContact O-N 3.24Å; Y82-L85 PolarHBondContact O-N 3.18Å; P83-L85 VanDerWaalsContact C-N 3.29Å; P83-L85 PolarHBondContact O-N 2.82Å; L85-Y87 VanDerWaalsContact C-N 3.26Å; L85-Y87 PolarHBondContact O-N 3.08Å; L85-L88 PolarHBondContact O-N 3.34Å; L85-L89 HydrophobicContact CD1-CD1 3.98Å; L85-L89 HydrophobicContact CD1-CG 4.25Å; L85-L89 HydrophobicContact CG-CD1 3.84Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 WeakPolarHBondContact O-CD1 3.45Å; L85-L89 VanDerWaalsContact O-CG 3.26Å; L85-L89 WeakPolarHBondContact O-CG 2.96Å; L85-L89 PolarHBondContact O-N 3.46Å |
| 86 | L | 84.2 | Confident | 81.6 | Confident | 83 Ų | 83 | 100.9 Ų | 100.9 | 44% | 0.435 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.1 | -40.8 | 176.6 | -68.5 | 174.4 | 0 | 0 | 0 | 111.8 | Y82 P83 R90 | Y82-L86 HydrophobicContact CD1-CD1 4.03Å; Y82-L86 HydrophobicContact CE1-CD1 3.59Å; Y82-L86 WeakPolarHBondContact O-CG 3.37Å; Y82-L86 PolarHBondContact O-N 3.43Å; P83-L86 PolarHBondContact O-N 2.9Å; L86-R90 PolarHBondContact O-N 2.8Å; L86-R90 VanDerWaalsContact O-N 3.09Å |
| 87 | Y | 85.5 | Confident | 80.6 | Confident | 130 Ų | 130 | 97.9 Ų | 97.9 | 51% | 0.51 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.3 | -48.9 | 178.2 | -178.9 | -95.5 | 0 | 0 | 0 | 112.4 | P83 F84 L85 L89 R90 R91 | P83-Y87 WeakPolarHBondContact O-CB 3.44Å; P83-Y87 PolarHBondContact O-N 2.99Å; F84-Y87 PolarHBondContact O-N 3.29Å; L85-Y87 VanDerWaalsContact C-N 3.26Å; L85-Y87 PolarHBondContact O-N 3.08Å; Y87-L89 VanDerWaalsContact C-N 3.32Å; Y87-L89 PolarHBondContact O-N 3.43Å; Y87-R90 PolarHBondContact O-N 3.2Å; Y87-R91 WeakPolarHBondContact O-CB 3.5Å; Y87-R91 PolarHBondContact O-N 3.39Å; Y87-R91 PolarHBondContact OH-NH1 3.44Å |
| 88 | L | 81.8 | Confident | 79.6 | Confident | 67 Ų | 67 | 95.9 Ų | 95.9 | 35% | 0.351 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 177.6 | -82.5 | -176.6 | 0 | 0 | 0 | 111.3 | F84 L85 R91 I92 | F84-L88 HydrophobicContact CD1-CD1 3.72Å; F84-L88 HydrophobicContact CD1-CG 4.19Å; F84-L88 HydrophobicContact CE1-CD1 3.25Å; F84-L88 HydrophobicContact CE1-CG 3.88Å; F84-L88 HydrophobicContact CE2-CG 4.49Å; F84-L88 HydrophobicContact CZ-CD1 3.79Å; F84-L88 HydrophobicContact CZ-CD2 4.31Å; F84-L88 HydrophobicContact CZ-CG 4.03Å; F84-L88 WeakPolarHBondContact O-CB 3.43Å; F84-L88 WeakPolarHBondContact O-CG 3.34Å; F84-L88 PolarHBondContact O-N 2.85Å; L85-L88 PolarHBondContact O-N 3.34Å; L88-R91 PolarHBondContact O-N 3.46Å; L88-I92 WeakPolarHBondContact O-CB 3.42Å; L88-I92 VanDerWaalsContact O-CG1 3.23Å; L88-I92 WeakPolarHBondContact O-CG1 3.08Å; L88-I92 PolarHBondContact O-N 2.98Å |
| 89 | L | 81 | Confident | 78.3 | Confident | 59 Ų | 59 | 99.4 Ų | 99.4 | 31% | 0.309 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.4 | -51.3 | 176.7 | -77.7 | 159.8 | 0 | 0 | 0 | 111.4 | F45 L85 Y87 R91 I92 F93 | F45-L89 HydrophobicContact CD2-CD1 3.61Å; F45-L89 HydrophobicContact CD2-CD2 4.03Å; F45-L89 HydrophobicContact CD2-CG 4.5Å; F45-L89 HydrophobicContact CE2-CD1 3.57Å; L85-L89 HydrophobicContact CD1-CD1 3.98Å; L85-L89 HydrophobicContact CD1-CG 4.25Å; L85-L89 HydrophobicContact CG-CD1 3.84Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 WeakPolarHBondContact O-CD1 3.45Å; L85-L89 VanDerWaalsContact O-CG 3.26Å; L85-L89 WeakPolarHBondContact O-CG 2.96Å; L85-L89 PolarHBondContact O-N 3.46Å; Y87-L89 VanDerWaalsContact C-N 3.32Å; Y87-L89 PolarHBondContact O-N 3.43Å; L89-R91 VanDerWaalsContact C-N 3.27Å; L89-R91 PolarHBondContact O-N 2.99Å; L89-I92 PolarHBondContact O-N 3.43Å; L89-F93 WeakPolarHBondContact O-CB 3.01Å; L89-F93 PolarHBondContact O-N 2.86Å |
| 90 | R | 83 | Confident | 76.8 | Confident | 196 Ų | 196 | 99.2 Ų | 99.2 | 74% | 0.74 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58 | -42.2 | 178 | -173.4 | 176.1 | -179.6 | 174.5 | 0.9 | 111.5 | L86 Y87 F93 S94 | L86-R90 PolarHBondContact O-N 2.8Å; L86-R90 VanDerWaalsContact O-N 3.09Å; Y87-R90 PolarHBondContact O-N 3.2Å; R90-F93 PolarHBondContact O-N 3.32Å; R90-S94 PolarHBondContact O-N 2.8Å; R90-S94 PolarHBondContact O-OG 3.23Å |
| 91 | R | 83.4 | Confident | 75.1 | Confident | 152 Ų | 152 | 101.7 Ų | 101.7 | 57% | 0.574 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70.7 | -42.3 | -178.6 | -170.1 | 161.8 | -178.2 | 158.4 | -4 | 112.5 | Y87 L88 L89 F93 S94 F95 | Y87-R91 WeakPolarHBondContact O-CB 3.5Å; Y87-R91 PolarHBondContact O-N 3.39Å; Y87-R91 PolarHBondContact OH-NH1 3.44Å; L88-R91 PolarHBondContact O-N 3.46Å; L89-R91 VanDerWaalsContact C-N 3.27Å; L89-R91 PolarHBondContact O-N 2.99Å; R91-F93 VanDerWaalsContact C-N 3.32Å; R91-S94 PolarHBondContact O-N 3.32Å; R91-F95 WeakPolarHBondContact O-CB 3.33Å; R91-F95 PolarHBondContact O-N 2.97Å |
| 92 | I | 79.2 | Confident | 73.7 | Confident | 95 Ų | 95 | 106 Ų | 106 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 173.7 | -68.5 | 166.2 | 0 | 0 | 0 | 109.1 | L88 L89 F95 Y96 | L88-I92 WeakPolarHBondContact O-CB 3.42Å; L88-I92 VanDerWaalsContact O-CG1 3.23Å; L88-I92 WeakPolarHBondContact O-CG1 3.08Å; L88-I92 PolarHBondContact O-N 2.98Å; L89-I92 PolarHBondContact O-N 3.43Å; I92-F95 PolarHBondContact O-N 3.11Å; I92-Y96 WeakPolarHBondContact O-CA 3.26Å; I92-Y96 WeakPolarHBondContact O-CB 3.39Å; I92-Y96 PolarHBondContact O-N 3.4Å |
| 93 | F | 74.4 | Confident | 72.3 | Confident | 122 Ų | 122 | 102.6 Ų | 102.6 | 54% | 0.535 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.2 | -53.7 | 176.9 | -163.7 | -100.1 | 0 | 0 | 0 | 111.6 | L89 R90 R91 F95 F97 | L89-F93 WeakPolarHBondContact O-CB 3.01Å; L89-F93 PolarHBondContact O-N 2.86Å; R90-F93 PolarHBondContact O-N 3.32Å; R91-F93 VanDerWaalsContact C-N 3.32Å; F93-F95 PolarHBondContact O-N 3.33Å; F93-F97 HydrophobicContact CD1-CD2 4.17Å; F93-F97 HydrophobicContact CD2-CD2 4.04Å; F93-F97 AromaticContact CD2-CE2 3.83Å; F93-F97 HydrophobicContact CD2-CE2 3.83Å; F93-F97 HydrophobicContact CE1-CD2 4.04Å; F93-F97 HydrophobicContact CE1-CE2 4.09Å; F93-F97 AromaticContact CE2-CD2 3.92Å; F93-F97 HydrophobicContact CE2-CD2 3.92Å; F93-F97 AromaticContact CE2-CE2 3.34Å; F93-F97 HydrophobicContact CE2-CE2 3.34Å; F93-F97 HydrophobicContact CE2-CZ 4.29Å; F93-F97 HydrophobicContact CG-CD2 4.17Å; F93-F97 HydrophobicContact CG-CE2 4.4Å; F93-F97 AromaticContact CZ-CD2 3.91Å; F93-F97 HydrophobicContact CZ-CD2 3.91Å; F93-F97 AromaticContact CZ-CE2 3.48Å; F93-F97 HydrophobicContact CZ-CE2 3.48Å; F93-F97 VanDerWaalsContact CZ-CE2 3.48Å; F93-F97 HydrophobicContact CZ-CZ 4.23Å; F93-F97 WeakPolarHBondContact O-CB 3.35Å; F93-F97 WeakPolarHBondContact O-CD2 3.38Å; F93-F97 PolarHBondContact O-N 3.17Å |
| 94 | S | 74.8 | Confident | 70.9 | Confident | 71 Ų | 71 | 103 Ų | 103 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 178.7 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | R90 R91 A98 | R90-S94 PolarHBondContact O-N 2.8Å; R90-S94 PolarHBondContact O-OG 3.23Å; R91-S94 PolarHBondContact O-N 3.32Å; S94-A98 WeakPolarHBondContact O-CB 3.36Å; S94-A98 PolarHBondContact O-N 3.43Å |
| 95 | F | 73.1 | Confident | 69.5 | Low | 134 Ų | 134 | 103.6 Ų | 103.6 | 59% | 0.588 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.7 | -41.8 | -177.8 | -174.7 | -98.6 | 0 | 0 | 0 | 112.1 | R91 I92 F93 A98 R99 | R91-F95 WeakPolarHBondContact O-CB 3.33Å; R91-F95 PolarHBondContact O-N 2.97Å; I92-F95 PolarHBondContact O-N 3.11Å; F93-F95 PolarHBondContact O-N 3.33Å; F95-A98 PolarHBondContact O-N 3.32Å; F95-R99 HydrophobicContact CD1-CB 4.43Å; F95-R99 HydrophobicContact CE1-CB 4.19Å; F95-R99 HydrophobicContact CE1-CG 4.24Å; F95-R99 HydrophobicContact CZ-CB 4.39Å; F95-R99 HydrophobicContact CZ-CG 4.29Å; F95-R99 WeakPolarHBondContact O-CB 3.45Å; F95-R99 PolarHBondContact O-N 3.37Å |
| 96 | Y | 70.9 | Confident | 68.3 | Low | 67 Ų | 67 | 106.1 Ų | 106.1 | 26% | 0.263 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -47.4 | 179.9 | -176.4 | -92.1 | 0 | 0 | 0 | 111.1 | F41 I92 A98 R100 | F41-Y96 HydrophobicContact CE2-CD1 4.3Å; F41-Y96 AromaticContact CE2-CE1 3.79Å; F41-Y96 HydrophobicContact CE2-CE1 3.79Å; F41-Y96 AromaticContact CZ-CD1 3.71Å; F41-Y96 HydrophobicContact CZ-CD1 3.71Å; F41-Y96 AromaticContact CZ-CE1 3.37Å; F41-Y96 HydrophobicContact CZ-CE1 3.37Å; F41-Y96 HydrophobicContact CZ-CE2 4.36Å; F41-Y96 HydrophobicContact CZ-CG 4.31Å; F41-Y96 AromaticContact CZ-CZ 3.7Å; I92-Y96 WeakPolarHBondContact O-CA 3.26Å; I92-Y96 WeakPolarHBondContact O-CB 3.39Å; I92-Y96 PolarHBondContact O-N 3.4Å; Y96-A98 PolarHBondContact O-N 2.87Å; Y96-R100 VanDerWaalsContact CZ-CD 3.49Å; Y96-R100 WeakPolarHBondContact O-CB 3.24Å; Y96-R100 PolarHBondContact O-N 2.95Å; Y96-R100 PolarHBondContact OH-NE 3.09Å; Y96-R100 PolarHBondContact OH-NH1 2.93Å |
| 97 | F | 62.5 | Low | 67.3 | Low | 63 Ų | 63 | 108.2 Ų | 108.2 | 28% | 0.276 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -35.1 | 174.9 | -88 | -83.2 | 0 | 0 | 0 | 112.6 | F93 R101 | F93-F97 HydrophobicContact CD1-CD2 4.17Å; F93-F97 HydrophobicContact CD2-CD2 4.04Å; F93-F97 AromaticContact CD2-CE2 3.83Å; F93-F97 HydrophobicContact CD2-CE2 3.83Å; F93-F97 HydrophobicContact CE1-CD2 4.04Å; F93-F97 HydrophobicContact CE1-CE2 4.09Å; F93-F97 AromaticContact CE2-CD2 3.92Å; F93-F97 HydrophobicContact CE2-CD2 3.92Å; F93-F97 AromaticContact CE2-CE2 3.34Å; F93-F97 HydrophobicContact CE2-CE2 3.34Å; F93-F97 HydrophobicContact CE2-CZ 4.29Å; F93-F97 HydrophobicContact CG-CD2 4.17Å; F93-F97 HydrophobicContact CG-CE2 4.4Å; F93-F97 AromaticContact CZ-CD2 3.91Å; F93-F97 HydrophobicContact CZ-CD2 3.91Å; F93-F97 AromaticContact CZ-CE2 3.48Å; F93-F97 HydrophobicContact CZ-CE2 3.48Å; F93-F97 VanDerWaalsContact CZ-CE2 3.48Å; F93-F97 HydrophobicContact CZ-CZ 4.23Å; F93-F97 WeakPolarHBondContact O-CB 3.35Å; F93-F97 WeakPolarHBondContact O-CD2 3.38Å; F93-F97 PolarHBondContact O-N 3.17Å; F97-R101 WeakPolarHBondContact O-CB 3.33Å; F97-R101 WeakPolarHBondContact O-CG 3.2Å; F97-R101 PolarHBondContact O-N 3.26Å; F97-R101 PolarHBondContact O-NE 3.09Å |
| 98 | A | 62.9 | Low | 66.2 | Low | 55 Ų | 55 | 105.6 Ų | 105.6 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.4 | -50.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | S94 F95 Y96 H102 | S94-A98 WeakPolarHBondContact O-CB 3.36Å; S94-A98 PolarHBondContact O-N 3.43Å; F95-A98 PolarHBondContact O-N 3.32Å; Y96-A98 PolarHBondContact O-N 2.87Å; A98-H102 WeakPolarHBondContact O-CB 3.43Å; A98-H102 PolarHBondContact O-N 3.34Å |
| 99 | R | 56.3 | Low | 65.5 | Low | 161 Ų | 161 | 105.3 Ų | 105.3 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.2 | -39.9 | -176.2 | -167.7 | 74.3 | -178.7 | -178.6 | 2.8 | 111.9 | F95 | F95-R99 HydrophobicContact CD1-CB 4.43Å; F95-R99 HydrophobicContact CE1-CB 4.19Å; F95-R99 HydrophobicContact CE1-CG 4.24Å; F95-R99 HydrophobicContact CZ-CB 4.39Å; F95-R99 HydrophobicContact CZ-CG 4.29Å; F95-R99 WeakPolarHBondContact O-CB 3.45Å; F95-R99 PolarHBondContact O-N 3.37Å |
| 100 | R | 52.7 | Low | 65 | Low | 124 Ų | 124 | 106.1 Ų | 106.1 | 47% | 0.468 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -83 | -29.4 | -175.2 | -160.8 | 155.6 | 164.3 | 152.3 | -7.7 | 113.1 | Y96 | Y96-R100 VanDerWaalsContact CZ-CD 3.49Å; Y96-R100 WeakPolarHBondContact O-CB 3.24Å; Y96-R100 PolarHBondContact O-N 2.95Å; Y96-R100 PolarHBondContact OH-NE 3.09Å; Y96-R100 PolarHBondContact OH-NH1 2.93Å |
| 101 | R | 48.2 | Very low | 64.4 | Low | 167 Ų | 167 | 100.9 Ų | 100.9 | 63% | 0.63 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.5 | -38.2 | 170.2 | -73.9 | -173.4 | -68.9 | -173.6 | 1.4 | 112.3 | F97 N103 H105 | F97-R101 WeakPolarHBondContact O-CB 3.33Å; F97-R101 WeakPolarHBondContact O-CG 3.2Å; F97-R101 PolarHBondContact O-N 3.26Å; F97-R101 PolarHBondContact O-NE 3.09Å; R101-N103 PolarHBondContact O-N 2.96Å; R101-H105 WeakPolarHBondContact O-CB 3.07Å; R101-H105 PolarHBondContact O-N 3.27Å; R101-H105 VanDerWaalsContact O-N 3.09Å |
| 102 | H | 54.8 | Low | 63.6 | Low | 115 Ų | 115 | 100.7 Ų | 100.7 | 53% | 0.532 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | -175.7 | -168.6 | -66 | 0 | 0 | 0 | 113 | A98 N106 | A98-H102 WeakPolarHBondContact O-CB 3.43Å; A98-H102 PolarHBondContact O-N 3.34Å; H102-N106 PolarHBondContact CE1-ND2 3.4Å; H102-N106 PolarHBondContact ND1-ND2 3.38Å; H102-N106 WeakPolarHBondContact O-CB 3.37Å; H102-N106 VanDerWaalsContact O-CG 3.31Å; H102-N106 PolarHBondContact O-N 2.88Å |
| 103 | N | 53.1 | Low | 63.3 | Low | 93 Ų | 93 | 101.7 Ų | 101.7 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -76 | -39.3 | -177.9 | -74.5 | 1.7 | 0 | 0 | 0 | 112.8 | R101 Q107 | R101-N103 PolarHBondContact O-N 2.96Å; N103-Q107 WeakPolarHBondContact O-CG 2.95Å; N103-Q107 PolarHBondContact O-N 3.28Å |
| 104 | C | 57.6 | Low | 63.2 | Low | 75 Ų | 75 | 101.2 Ų | 101.2 | 51% | 0.507 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.5 | -41 | -177.7 | -164 | 0 | 0 | 0 | 0 | 112.2 | N106 Q107 L108 | C104-N106 PolarHBondContact O-N 3.4Å; C104-Q107 PolarHBondContact O-N 3.35Å; C104-L108 PolarHBondContact O-N 3.5Å; C104-L108 VanDerWaalsContact O-N 3.13Å |
| 105 | H | 55.3 | Low | 62.6 | Low | 121 Ų | 121 | 103.4 Ų | 103.4 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66 | -40.8 | 179.3 | -169.7 | 66.3 | 0 | 0 | 0 | 112 | R101 Q107 L108 V109 | R101-H105 WeakPolarHBondContact O-CB 3.07Å; R101-H105 PolarHBondContact O-N 3.27Å; R101-H105 VanDerWaalsContact O-N 3.09Å; H105-Q107 VanDerWaalsContact C-N 3.35Å; H105-Q107 PolarHBondContact O-N 2.83Å; H105-L108 PolarHBondContact O-N 2.96Å; H105-V109 WeakPolarHBondContact O-CG2 3.28Å; H105-V109 PolarHBondContact O-N 2.96Å |
| 106 | N | 60.3 | Low | 62.4 | Low | 78 Ų | 78 | 101.9 Ų | 101.9 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 178.2 | -76.1 | 8 | 0 | 0 | 0 | 111.9 | H102 C104 V109 T110 | H102-N106 PolarHBondContact CE1-ND2 3.4Å; H102-N106 PolarHBondContact ND1-ND2 3.38Å; H102-N106 WeakPolarHBondContact O-CB 3.37Å; H102-N106 VanDerWaalsContact O-CG 3.31Å; H102-N106 PolarHBondContact O-N 2.88Å; C104-N106 PolarHBondContact O-N 3.4Å; N106-V109 PolarHBondContact O-N 3.03Å; N106-T110 WeakPolarHBondContact O-CB 3.19Å; N106-T110 VanDerWaalsContact O-CG2 3.3Å; N106-T110 WeakPolarHBondContact O-CG2 3.47Å; N106-T110 PolarHBondContact O-N 3.4Å; N106-T110 PolarHBondContact O-OG1 2.76Å |
| 107 | Q | 63.2 | Low | 62.6 | Low | 128 Ų | 128 | 104.7 Ų | 104.7 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -44 | 177.2 | -74.1 | 178.8 | -35.4 | 0 | 0 | 111.8 | N103 C104 H105 T110 L111 | N103-Q107 WeakPolarHBondContact O-CG 2.95Å; N103-Q107 PolarHBondContact O-N 3.28Å; C104-Q107 PolarHBondContact O-N 3.35Å; H105-Q107 VanDerWaalsContact C-N 3.35Å; H105-Q107 PolarHBondContact O-N 2.83Å; Q107-T110 WeakPolarHBondContact CA-OG1 3.17Å; Q107-T110 PolarHBondContact O-N 3.45Å; Q107-T110 PolarHBondContact O-OG1 3.17Å; Q107-L111 WeakPolarHBondContact O-CG 3.35Å; Q107-L111 PolarHBondContact O-N 3.38Å |
| 108 | L | 61.2 | Low | 63.1 | Low | 75 Ų | 75 | 106.1 Ų | 106.1 | 39% | 0.393 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 175.8 | -96.2 | 160.9 | 0 | 0 | 0 | 113 | L27 C104 H105 L111 K112 | L27-L108 HydrophobicContact CD1-CD1 4.34Å; L27-L108 HydrophobicContact CD1-CD2 3.92Å; C104-L108 PolarHBondContact O-N 3.5Å; C104-L108 VanDerWaalsContact O-N 3.13Å; H105-L108 PolarHBondContact O-N 2.96Å; L108-L111 PolarHBondContact O-N 3.38Å; L108-K112 WeakPolarHBondContact O-CB 3.34Å; L108-K112 PolarHBondContact O-N 3.41Å |
| 109 | V | 66.9 | Low | 63.4 | Low | 60 Ų | 60 | 108.2 Ų | 108.2 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | H105 N106 K112 Q113 | H105-V109 WeakPolarHBondContact O-CG2 3.28Å; H105-V109 PolarHBondContact O-N 2.96Å; N106-V109 PolarHBondContact O-N 3.03Å; V109-K112 PolarHBondContact O-N 3.47Å; V109-Q113 VanDerWaalsContact O-CB 3.27Å; V109-Q113 WeakPolarHBondContact O-CB 3.33Å; V109-Q113 PolarHBondContact O-N 2.87Å |
| 110 | T | 70.8 | Confident | 63.9 | Low | 76 Ų | 76 | 104.8 Ų | 104.8 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 177.2 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | N106 Q107 Q113 Q114 | N106-T110 WeakPolarHBondContact O-CB 3.19Å; N106-T110 VanDerWaalsContact O-CG2 3.3Å; N106-T110 WeakPolarHBondContact O-CG2 3.47Å; N106-T110 PolarHBondContact O-N 3.4Å; N106-T110 PolarHBondContact O-OG1 2.76Å; Q107-T110 WeakPolarHBondContact CA-OG1 3.17Å; Q107-T110 PolarHBondContact O-N 3.45Å; Q107-T110 PolarHBondContact O-OG1 3.17Å; T110-Q113 PolarHBondContact O-N 2.91Å; T110-Q114 WeakPolarHBondContact O-CB 3.13Å; T110-Q114 WeakPolarHBondContact O-CG 3.36Å; T110-Q114 PolarHBondContact O-N 3.29Å |
| 111 | L | 70.9 | Confident | 64.8 | Low | 87 Ų | 87 | 104.9 Ų | 104.9 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 177.5 | -75.3 | 165.9 | 0 | 0 | 0 | 111.5 | Q107 L108 Q113 Q114 R115 | Q107-L111 WeakPolarHBondContact O-CG 3.35Å; Q107-L111 PolarHBondContact O-N 3.38Å; L108-L111 PolarHBondContact O-N 3.38Å; L111-Q113 VanDerWaalsContact C-N 3.3Å; L111-Q113 PolarHBondContact O-N 3.44Å; L111-Q114 PolarHBondContact O-N 3.47Å; L111-R115 WeakPolarHBondContact O-CB 3.35Å; L111-R115 PolarHBondContact O-N 3.01Å |
| 112 | K | 66.1 | Low | 65.6 | Low | 148 Ų | 148 | 100.5 Ų | 100.5 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62 | -38.4 | 174.6 | -170 | 174.3 | -176.3 | 176.5 | 0 | 112 | L108 V109 R115 L116 | L108-K112 WeakPolarHBondContact O-CB 3.34Å; L108-K112 PolarHBondContact O-N 3.41Å; V109-K112 PolarHBondContact O-N 3.47Å; K112-R115 PolarHBondContact O-N 2.87Å; K112-L116 WeakPolarHBondContact O-CG 3.14Å; K112-L116 PolarHBondContact O-N 3.47Å |
| 113 | Q | 72.5 | Confident | 65.8 | Low | 115 Ų | 115 | 100.8 Ų | 100.8 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73 | -39.3 | 179.2 | -165.6 | 154.6 | -18.4 | 0 | 0 | 112.1 | V109 T110 L111 R115 L116 Q117 | V109-Q113 VanDerWaalsContact O-CB 3.27Å; V109-Q113 WeakPolarHBondContact O-CB 3.33Å; V109-Q113 PolarHBondContact O-N 2.87Å; T110-Q113 PolarHBondContact O-N 2.91Å; L111-Q113 VanDerWaalsContact C-N 3.3Å; L111-Q113 PolarHBondContact O-N 3.44Å; Q113-R115 VanDerWaalsContact C-N 3.32Å; Q113-R115 PolarHBondContact O-N 3.4Å; Q113-L116 PolarHBondContact O-N 2.99Å; Q113-Q117 WeakPolarHBondContact O-CG 3.28Å; Q113-Q117 PolarHBondContact O-N 3.39Å |
| 114 | Q | 73.6 | Confident | 66 | Low | 112 Ų | 112 | 103.9 Ų | 103.9 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 170.1 | -76.2 | 179.5 | -22 | 0 | 0 | 111.5 | T110 L111 L116 Q117 V118 | T110-Q114 WeakPolarHBondContact O-CB 3.13Å; T110-Q114 WeakPolarHBondContact O-CG 3.36Å; T110-Q114 PolarHBondContact O-N 3.29Å; L111-Q114 PolarHBondContact O-N 3.47Å; Q114-L116 PolarHBondContact O-N 3.23Å; Q114-Q117 PolarHBondContact O-N 3.43Å; Q114-V118 WeakPolarHBondContact O-CG2 3.33Å; Q114-V118 PolarHBondContact O-N 3.38Å |
| 115 | R | 60.9 | Low | 66.2 | Low | 117 Ų | 117 | 106.2 Ų | 106.2 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 175.2 | -177.2 | -178.6 | 172.1 | -155.2 | -2.2 | 112.6 | L111 K112 Q113 L119 | L111-R115 WeakPolarHBondContact O-CB 3.35Å; L111-R115 PolarHBondContact O-N 3.01Å; K112-R115 PolarHBondContact O-N 2.87Å; Q113-R115 VanDerWaalsContact C-N 3.32Å; Q113-R115 PolarHBondContact O-N 3.4Å; R115-L119 WeakPolarHBondContact O-CB 3.4Å; R115-L119 PolarHBondContact O-N 2.95Å |
| 116 | L | 70.8 | Confident | 65.9 | Low | 103 Ų | 103 | 105.6 Ų | 105.6 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.3 | -37 | 176.7 | -74.6 | 172.2 | 0 | 0 | 0 | 112.2 | K112 Q113 Q114 L119 N120 | K112-L116 WeakPolarHBondContact O-CG 3.14Å; K112-L116 PolarHBondContact O-N 3.47Å; Q113-L116 PolarHBondContact O-N 2.99Å; Q114-L116 PolarHBondContact O-N 3.23Å; L116-L119 PolarHBondContact O-N 3.36Å; L116-N120 WeakPolarHBondContact O-CB 3.49Å; L116-N120 PolarHBondContact O-N 3.41Å |
| 117 | Q | 74 | Confident | 66.1 | Low | 125 Ų | 125 | 107.2 Ų | 107.2 | 58% | 0.584 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.7 | -48.4 | 175.4 | -79.3 | 178.2 | -29.4 | 0 | 0 | 111.6 | Q113 Q114 L119 N120 E121 | Q113-Q117 WeakPolarHBondContact O-CG 3.28Å; Q113-Q117 PolarHBondContact O-N 3.39Å; Q114-Q117 PolarHBondContact O-N 3.43Å; Q117-L119 VanDerWaalsContact C-N 3.33Å; Q117-L119 PolarHBondContact O-N 3.07Å; Q117-N120 PolarHBondContact O-N 3.23Å; Q117-E121 WeakPolarHBondContact O-CB 3.38Å; Q117-E121 PolarHBondContact O-N 3.02Å |
| 118 | V | 72.7 | Confident | 65.8 | Low | 94 Ų | 94 | 109.1 Ų | 109.1 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 177.8 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | Q114 V122 | Q114-V118 WeakPolarHBondContact O-CG2 3.33Å; Q114-V118 PolarHBondContact O-N 3.38Å; V118-V122 VanDerWaalsContact O-CG2 3.29Å; V118-V122 WeakPolarHBondContact O-CG2 3.47Å; V118-V122 PolarHBondContact O-N 3.4Å |
| 119 | L | 68.7 | Low | 65.6 | Low | 98 Ų | 98 | 113.9 Ų | 113.9 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -40.6 | 176.9 | -177.6 | 63.6 | 0 | 0 | 0 | 112.5 | R115 L116 Q117 V122 K123 | R115-L119 WeakPolarHBondContact O-CB 3.4Å; R115-L119 PolarHBondContact O-N 2.95Å; L116-L119 PolarHBondContact O-N 3.36Å; Q117-L119 VanDerWaalsContact C-N 3.33Å; Q117-L119 PolarHBondContact O-N 3.07Å; L119-V122 PolarHBondContact O-N 3.46Å; L119-K123 WeakPolarHBondContact O-CB 3.47Å; L119-K123 PolarHBondContact O-N 3.15Å |
| 120 | N | 67 | Low | 65.3 | Low | 89 Ų | 89 | 113.9 Ų | 113.9 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.4 | -35.2 | -179 | -147.6 | 5.9 | 0 | 0 | 0 | 111.4 | L116 Q117 V122 K123 Q124 | L116-N120 WeakPolarHBondContact O-CB 3.49Å; L116-N120 PolarHBondContact O-N 3.41Å; Q117-N120 PolarHBondContact O-N 3.23Å; N120-V122 VanDerWaalsContact C-N 3.34Å; N120-K123 PolarHBondContact O-N 3.45Å; N120-Q124 WeakPolarHBondContact O-CG 3.27Å; N120-Q124 PolarHBondContact O-N 3.43Å |
| 121 | E | 72.3 | Confident | 65 | Low | 127 Ų | 127 | 112 Ų | 112 | 59% | 0.593 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.4 | -44.7 | 170.6 | -173.2 | 173.7 | 111.6 | 0 | 0 | 110.9 | Q117 K123 Q124 N125 | Q117-E121 WeakPolarHBondContact O-CB 3.38Å; Q117-E121 PolarHBondContact O-N 3.02Å; E121-K123 PolarHBondContact O-N 3.32Å; E121-Q124 PolarHBondContact O-N 3.1Å; E121-N125 VanDerWaalsContact O-CB 3.32Å; E121-N125 WeakPolarHBondContact O-CB 3.48Å; E121-N125 PolarHBondContact O-N 2.86Å |
| 122 | V | 63.9 | Low | 64.6 | Low | 74 Ų | 74 | 113.7 Ų | 113.7 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.8 | -37.2 | 174.6 | 174 | 0 | 0 | 0 | 0 | 111.5 | V118 L119 N120 E126 | V118-V122 VanDerWaalsContact O-CG2 3.29Å; V118-V122 WeakPolarHBondContact O-CG2 3.47Å; V118-V122 PolarHBondContact O-N 3.4Å; L119-V122 PolarHBondContact O-N 3.46Å; N120-V122 VanDerWaalsContact C-N 3.34Å; V122-E126 VanDerWaalsContact O-CB 3.3Å; V122-E126 WeakPolarHBondContact O-CB 3.35Å; V122-E126 PolarHBondContact O-N 3.17Å |
| 123 | K | 59.1 | Low | 64.5 | Low | 121 Ų | 121 | 112.4 Ų | 112.4 | 53% | 0.526 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.2 | -32 | 176.8 | -173.2 | -179.8 | 178.4 | -178.7 | 0 | 113.4 | L119 N120 E121 | L119-K123 WeakPolarHBondContact O-CB 3.47Å; L119-K123 PolarHBondContact O-N 3.15Å; N120-K123 PolarHBondContact O-N 3.45Å; E121-K123 PolarHBondContact O-N 3.32Å |
| 124 | Q | 57.2 | Low | 64.2 | Low | 158 Ų | 158 | 108.7 Ų | 108.7 | 74% | 0.738 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -79.3 | -36.3 | 175.7 | -74 | -170.4 | 7.2 | 0 | 0 | 111.8 | N120 E121 | N120-Q124 WeakPolarHBondContact O-CG 3.27Å; N120-Q124 PolarHBondContact O-N 3.43Å; E121-Q124 PolarHBondContact O-N 3.1Å |
| 125 | N | 63.5 | Low | 63.8 | Low | 125 Ų | 125 | 109.1 Ų | 109.1 | 67% | 0.668 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -80.4 | -21.7 | 178.9 | -76.4 | -25.3 | 0 | 0 | 0 | 113.5 | E121 | E121-N125 VanDerWaalsContact O-CB 3.32Å; E121-N125 WeakPolarHBondContact O-CB 3.48Å; E121-N125 PolarHBondContact O-N 2.86Å |
| 126 | E | 48.6 | Very low | 64.1 | Low | 108 Ų | 108 | 108.4 Ų | 108.4 | 51% | 0.505 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -118.8 | 132.7 | 178.9 | -69 | -86 | 143.2 | 0 | 0 | 112.3 | V122 | V122-E126 VanDerWaalsContact O-CB 3.3Å; V122-E126 WeakPolarHBondContact O-CB 3.35Å; V122-E126 PolarHBondContact O-N 3.17Å |
| 127 | T | 65 | Low | 63.9 | Low | 111 Ų | 111 | 111.5 Ų | 111.5 | 68% | 0.681 | 55% | 0.547 | S | S | * | . | trans | -62.2 | 134.8 | -173.1 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | K129 V130 | T127-K129 PolarHBondContact O-N 2.94Å; T127-V130 PolarHBondContact O-N 3.43Å | ||
| 128 | Y | 56.8 | Low | 63.2 | Low | 169 Ų | 169 | 110.3 Ų | 110.3 | 66% | 0.663 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -26.5 | -28.1 | 179.4 | -164.3 | -94.6 | 0 | 0 | 0 | 118.6 | V130 A131 K132 | Y128-V130 PolarHBondContact O-N 3.08Å; Y128-A131 PolarHBondContact O-N 3.25Å; Y128-K132 HydrophobicContact CE1-CD 4.4Å; Y128-K132 PolarHBondContact O-N 3.49Å; Y128-K132 VanDerWaalsContact O-N 3.15Å |
| 129 | K | 57 | Low | 62.8 | Low | 174 Ų | 174 | 111.1 Ų | 111.1 | 76% | 0.757 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.4 | -42.7 | 178.4 | -77.9 | -173.7 | 175.7 | -179.3 | 0 | 113.3 | T127 K132 E133 | T127-K129 PolarHBondContact O-N 2.94Å; K129-K132 PolarHBondContact O-N 3.36Å; K129-E133 PolarHBondContact O-N 2.97Å |
| 130 | V | 60 | Low | 62.4 | Low | 60 Ų | 60 | 109 Ų | 109 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.6 | -40.2 | -177.7 | -177 | 0 | 0 | 0 | 0 | 110.8 | T127 Y128 K132 L134 | T127-V130 PolarHBondContact O-N 3.43Å; Y128-V130 PolarHBondContact O-N 3.08Å; V130-K132 VanDerWaalsContact C-N 3.3Å; V130-K132 PolarHBondContact O-N 2.85Å; V130-L134 HydrophobicContact CG1-CD1 4.29Å; V130-L134 PolarHBondContact O-N 3.46Å |
| 131 | A | 63.5 | Low | 61.9 | Low | 37 Ų | 37 | 108.4 Ų | 108.4 | 31% | 0.306 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y128 L135 | Y128-A131 PolarHBondContact O-N 3.25Å; A131-L135 PolarHBondContact O-N 2.88Å; A131-L135 VanDerWaalsContact O-N 3.15Å |
| 132 | K | 62.4 | Low | 61.1 | Low | 122 Ų | 122 | 106.8 Ų | 106.8 | 53% | 0.53 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.1 | -45.7 | -179.7 | -168.5 | 175.6 | -179.3 | -179.1 | 0 | 112.9 | Y128 K129 V130 L134 L135 D136 | Y128-K132 HydrophobicContact CE1-CD 4.4Å; Y128-K132 PolarHBondContact O-N 3.49Å; Y128-K132 VanDerWaalsContact O-N 3.15Å; K129-K132 PolarHBondContact O-N 3.36Å; V130-K132 VanDerWaalsContact C-N 3.3Å; V130-K132 PolarHBondContact O-N 2.85Å; K132-L134 PolarHBondContact O-N 3.49Å; K132-L135 PolarHBondContact O-N 3.41Å; K132-D136 PolarHBondContact O-N 2.82Å; K132-D136 VanDerWaalsContact O-N 3.13Å |
| 133 | E | 65.8 | Low | 60.5 | Low | 121 Ų | 121 | 113.3 Ų | 113.3 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.7 | -31.4 | 178.6 | -170.1 | -178.9 | 164.4 | 0 | 0 | 111.8 | K129 R137 | K129-E133 PolarHBondContact O-N 2.97Å; E133-R137 PolarHBondContact O-N 2.99Å; E133-R137 IonicContact OE1-NH2 3.99Å |
| 134 | L | 65.3 | Low | 60.2 | Low | 38 Ų | 38 | 114.7 Ų | 114.7 | 20% | 0.199 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -75.1 | -41.9 | 178.4 | -113.8 | 127.2 | 0 | 0 | 0 | 113.7 | Y13 V130 K132 D136 R137 F138 | Y13-L134 HydrophobicContact CD1-CD1 4.47Å; Y13-L134 HydrophobicContact CD1-CD2 3.62Å; Y13-L134 HydrophobicContact CD2-CD1 3.97Å; Y13-L134 HydrophobicContact CE1-CD1 3.91Å; Y13-L134 HydrophobicContact CE1-CD2 2.96Å; Y13-L134 HydrophobicContact CE1-CG 3.96Å; Y13-L134 HydrophobicContact CE2-CD1 3.28Å; Y13-L134 HydrophobicContact CE2-CD2 4.1Å; Y13-L134 HydrophobicContact CE2-CG 4.24Å; Y13-L134 HydrophobicContact CG-CD1 4.5Å; Y13-L134 HydrophobicContact CG-CD2 4.41Å; Y13-L134 WeakPolarHBondContact OH-CD1 3.34Å; Y13-L134 WeakPolarHBondContact OH-CD2 3.49Å; V130-L134 HydrophobicContact CG1-CD1 4.29Å; V130-L134 PolarHBondContact O-N 3.46Å; K132-L134 PolarHBondContact O-N 3.49Å; L134-D136 VanDerWaalsContact C-N 3.31Å; L134-D136 PolarHBondContact O-N 3Å; L134-R137 PolarHBondContact O-N 3.14Å; L134-F138 HydrophobicContact CD2-CD2 4.04Å; L134-F138 HydrophobicContact CD2-CE2 3.62Å; L134-F138 VanDerWaalsContact O-CD2 3.32Å; L134-F138 WeakPolarHBondContact O-CD2 3.43Å; L134-F138 PolarHBondContact O-N 3.34Å |
| 135 | L | 64.6 | Low | 59.8 | Low | 121 Ų | 121 | 113.9 Ų | 113.9 | 63% | 0.634 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.9 | -44.4 | 173.9 | -135.2 | 85.2 | 0 | 0 | 0 | 111.2 | A131 K132 R137 F138 D139 | A131-L135 PolarHBondContact O-N 2.88Å; A131-L135 VanDerWaalsContact O-N 3.15Å; K132-L135 PolarHBondContact O-N 3.41Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-R137 PolarHBondContact O-N 2.91Å; L135-F138 PolarHBondContact O-N 3.19Å; L135-D139 PolarHBondContact O-N 3.36Å |
| 136 | D | 68.9 | Low | 58.7 | Low | 101 Ų | 101 | 116.1 Ų | 116.1 | 54% | 0.54 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.4 | -35.7 | -179.3 | -83.7 | -6.8 | 0 | 0 | 0 | 112.7 | K132 L134 A140 | K132-D136 PolarHBondContact O-N 2.82Å; K132-D136 VanDerWaalsContact O-N 3.13Å; L134-D136 VanDerWaalsContact C-N 3.31Å; L134-D136 PolarHBondContact O-N 3Å; D136-A140 WeakPolarHBondContact O-CB 3.36Å; D136-A140 PolarHBondContact O-N 3.01Å |
| 137 | R | 64.7 | Low | 59.2 | Low | 168 Ų | 168 | 116.5 Ų | 116.5 | 63% | 0.634 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.2 | -35.8 | 176 | -75.3 | -164.5 | -164.8 | -138.3 | 1.8 | 112.8 | E133 L134 L135 A140 T141 | E133-R137 PolarHBondContact O-N 2.99Å; E133-R137 IonicContact OE1-NH2 3.99Å; L134-R137 PolarHBondContact O-N 3.14Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-R137 PolarHBondContact O-N 2.91Å; R137-A140 WeakPolarHBondContact O-CB 3.38Å; R137-A140 PolarHBondContact O-N 3.48Å; R137-T141 PolarHBondContact O-N 3.39Å; R137-T141 VanDerWaalsContact O-N 3.07Å; R137-T141 PolarHBondContact O-OG1 3.32Å |
| 138 | F | 60 | Low | 58.9 | Low | 101 Ų | 101 | 116.8 Ų | 116.8 | 44% | 0.443 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.6 | -40.8 | 178.4 | -86.8 | -73.4 | 0 | 0 | 0 | 112.3 | L17 L134 L135 A140 T141 V142 | L17-F138 HydrophobicContact CD1-CE1 3.71Å; L17-F138 HydrophobicContact CD1-CZ 3.52Å; L134-F138 HydrophobicContact CD2-CD2 4.04Å; L134-F138 HydrophobicContact CD2-CE2 3.62Å; L134-F138 VanDerWaalsContact O-CD2 3.32Å; L134-F138 WeakPolarHBondContact O-CD2 3.43Å; L134-F138 PolarHBondContact O-N 3.34Å; L135-F138 PolarHBondContact O-N 3.19Å; F138-A140 VanDerWaalsContact C-N 3.26Å; F138-A140 PolarHBondContact O-N 3.35Å; F138-T141 PolarHBondContact O-N 3Å; F138-V142 PolarHBondContact O-N 3.38Å; F138-V142 VanDerWaalsContact O-N 3.09Å |
| 139 | D | 63.5 | Low | 59 | Low | 111 Ų | 111 | 113.9 Ų | 113.9 | 59% | 0.594 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.6 | -35.7 | 172.3 | -91.8 | -10.3 | 0 | 0 | 0 | 111.7 | L135 R143 | L135-D139 PolarHBondContact O-N 3.36Å; D139-R143 PolarHBondContact O-N 3.15Å |
| 140 | A | 60.5 | Low | 59.1 | Low | 52 Ų | 52 | 110.4 Ų | 110.4 | 43% | 0.43 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.6 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D136 R137 F138 R143 L144 | D136-A140 WeakPolarHBondContact O-CB 3.36Å; D136-A140 PolarHBondContact O-N 3.01Å; R137-A140 WeakPolarHBondContact O-CB 3.38Å; R137-A140 PolarHBondContact O-N 3.48Å; F138-A140 VanDerWaalsContact C-N 3.26Å; F138-A140 PolarHBondContact O-N 3.35Å; A140-R143 PolarHBondContact O-N 3.05Å; A140-L144 WeakPolarHBondContact O-CG 3.36Å; A140-L144 PolarHBondContact O-N 2.79Å |
| 141 | T | 58 | Low | 59.1 | Low | 78 Ų | 78 | 113.5 Ų | 113.5 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69 | -40.4 | 178.3 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | R137 F138 R143 L144 I145 | R137-T141 PolarHBondContact O-N 3.39Å; R137-T141 VanDerWaalsContact O-N 3.07Å; R137-T141 PolarHBondContact O-OG1 3.32Å; F138-T141 PolarHBondContact O-N 3Å; T141-R143 VanDerWaalsContact C-N 3.3Å; T141-R143 PolarHBondContact O-N 3.28Å; T141-L144 PolarHBondContact O-N 3.43Å; T141-L144 VanDerWaalsContact O-N 3.17Å; T141-I145 HydrophobicContact CG2-CD1 4.3Å; T141-I145 WeakPolarHBondContact O-CG1 3.38Å |
| 142 | V | 55.7 | Low | 58.8 | Low | 92 Ų | 92 | 118.6 Ų | 118.6 | 56% | 0.558 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.1 | -37.9 | 176.2 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | F138 L144 I145 T146 | F138-V142 PolarHBondContact O-N 3.38Å; F138-V142 VanDerWaalsContact O-N 3.09Å; V142-L144 VanDerWaalsContact C-N 3.26Å; V142-L144 PolarHBondContact O-N 3.16Å; V142-I145 PolarHBondContact O-N 3.41Å; V142-T146 PolarHBondContact O-OG1 3.35Å |
| 143 | R | 49.8 | Very low | 58.5 | Low | 212 Ų | 212 | 118.4 Ų | 118.4 | 80% | 0.8 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65 | -23.7 | 175.4 | -114.4 | -174.2 | -157 | 166.7 | 8.6 | 114.8 | D139 A140 T141 | D139-R143 PolarHBondContact O-N 3.15Å; A140-R143 PolarHBondContact O-N 3.05Å; T141-R143 VanDerWaalsContact C-N 3.3Å; T141-R143 PolarHBondContact O-N 3.28Å |
| 144 | L | 52.8 | Low | 58 | Low | 149 Ų | 149 | 118.2 Ų | 118.2 | 78% | 0.78 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -84.6 | -14.5 | 179.3 | -69.6 | 172.4 | 0 | 0 | 0 | 112.8 | A140 T141 V142 | A140-L144 WeakPolarHBondContact O-CG 3.36Å; A140-L144 PolarHBondContact O-N 2.79Å; T141-L144 PolarHBondContact O-N 3.43Å; T141-L144 VanDerWaalsContact O-N 3.17Å; V142-L144 VanDerWaalsContact C-N 3.26Å; V142-L144 PolarHBondContact O-N 3.16Å |
| 145 | I | 50.6 | Low | 57.4 | Low | 141 Ų | 141 | 124.8 Ų | 124.8 | 72% | 0.723 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -93.9 | -16.1 | -179.3 | -60.5 | 166.4 | 0 | 0 | 0 | 111.2 | T141 V142 | T141-I145 HydrophobicContact CG2-CD1 4.3Å; T141-I145 WeakPolarHBondContact O-CG1 3.38Å; V142-I145 PolarHBondContact O-N 3.41Å |
| 146 | T | 39.5 | Very low | 56.7 | Low | 172 Ų | 172 | 125.2 Ų | 125.2 | 100% | 1.055 | 64% | 0.64 | S | S | * | * | trans | -94.1 | 0 | 173.9 | -49.4 | 0 | 0 | 0 | 0 | 110.3 | V142 | V142-T146 PolarHBondContact O-OG1 3.35Š|
Retrieved 146 of 146 residues in 78.4 ms
(Link to these results)