| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.5 | Very low | 51.1 | Low | 216 Ų | 216 | 146.3 Ų | 146.3 | 100% | 1.064 | 76% | 0.756 | S | S | * | * | 0 | -29.7 | 0 | -81.6 | 172.7 | -174.1 | 0 | 0 | 114.8 | R3 | M1-R3 PolarHBondContact O-N 3.09Š| |||
| 2 | K | 40.9 | Very low | 51.8 | Low | 223 Ų | 223 | 141.1 Ų | 141.1 | 97% | 0.97 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 1.7 | 167.1 | -76.6 | -177.3 | 173.8 | -179.5 | 0 | 115.6 | ||
| 3 | R | 45.9 | Very low | 52.4 | Low | 242 Ų | 242 | 138.6 Ų | 138.6 | 91% | 0.913 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 3.6 | -174.8 | -79.6 | -173.7 | 176.5 | -173.1 | -1.7 | 114.9 | M1 | M1-R3 PolarHBondContact O-N 3.09Š|
| 4 | I | 54.1 | Low | 52.9 | Low | 137 Ų | 137 | 135.9 Ų | 135.9 | 70% | 0.703 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -113.4 | -8 | -166.6 | -59.5 | 173.1 | 0 | 0 | 0 | 113.7 | ||
| 5 | N | 52 | Low | 53.5 | Low | 136 Ų | 136 | 130.3 Ų | 130.3 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -106.9 | 19 | -170.9 | -81.4 | 7.5 | 0 | 0 | 0 | 116.7 | L7 | N5-L7 PolarHBondContact O-N 3.26Š|
| 6 | G | 47.8 | Very low | 53.8 | Low | 83 Ų | 83 | 125.6 Ų | 125.6 | 86% | 0.856 | 65% | 0.651 | S | S | * | * | trans | 59.3 | 15.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 7 | L | 50 | Low | 54.2 | Low | 152 Ų | 152 | 126.9 Ų | 126.9 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | trans | -102.3 | 83.2 | 176.7 | -84.6 | 139.5 | 0 | 0 | 0 | 108 | N5 S9 | N5-L7 PolarHBondContact O-N 3.26Å; L7-S9 PolarHBondContact O-N 3.05Å; L7-S9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | V | 54.3 | Low | 54.5 | Low | 97 Ų | 97 | 124.2 Ų | 124.2 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | trans | -61.7 | 110.2 | 154.7 | 178.2 | 0 | 0 | 0 | 0 | 105 | D12 | V8-D12 HydrophobicContact CG1-CB 3.63Š| ||
| 9 | S | 55.1 | Low | 54.7 | Low | 49 Ų | 49 | 120.9 Ų | 120.9 | 34% | 0.343 | 63% | 0.633 | S | S | . | * | trans | -63.7 | 148.9 | 175.4 | 165.3 | 0 | 0 | 0 | 0 | 108.8 | L7 Q11 D12 F13 | L7-S9 PolarHBondContact O-N 3.05Å; L7-S9 VanDerWaalsContact O-N 3.13Å; S9-Q11 PolarHBondContact O-N 3.08Å; S9-Q11 WeakPolarHBondContact OG-CB 3.35Å; S9-Q11 PolarHBondContact OG-N 2.84Å; S9-D12 PolarHBondContact N-OD2 3Å; S9-D12 WeakPolarHBondContact O-CA 3.42Å; S9-D12 WeakPolarHBondContact O-CB 3.34Å; S9-D12 PolarHBondContact O-N 2.81Å; S9-F13 PolarHBondContact O-N 3.11Å | ||
| 10 | D | 60.6 | Low | 54.8 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -51.3 | -25.1 | 170.7 | -78.5 | -25.3 | 0 | 0 | 0 | 112.3 | F14 | D10-F14 WeakPolarHBondContact O-CB 3.08Å; D10-F14 PolarHBondContact O-N 2.98Å |
| 11 | Q | 58.5 | Low | 54.8 | Low | 155 Ų | 155 | 122.6 Ų | 122.6 | 72% | 0.724 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.6 | -36.4 | 173.8 | -64.9 | 179.8 | -15.2 | 0 | 0 | 113.2 | S9 F14 A15 | S9-Q11 PolarHBondContact O-N 3.08Å; S9-Q11 WeakPolarHBondContact OG-CB 3.35Å; S9-Q11 PolarHBondContact OG-N 2.84Å; Q11-F14 PolarHBondContact O-N 3.31Å; Q11-A15 WeakPolarHBondContact O-CB 3.36Å; Q11-A15 PolarHBondContact O-N 2.73Å |
| 12 | D | 59.8 | Low | 55.5 | Low | 84 Ų | 84 | 116 Ų | 116 | 45% | 0.449 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69 | -39.9 | 176.3 | -63.5 | -39.1 | 0 | 0 | 0 | 110.1 | V8 S9 F14 A15 L16 | V8-D12 HydrophobicContact CG1-CB 3.63Å; S9-D12 PolarHBondContact N-OD2 3Å; S9-D12 WeakPolarHBondContact O-CA 3.42Å; S9-D12 WeakPolarHBondContact O-CB 3.34Å; S9-D12 PolarHBondContact O-N 2.81Å; D12-F14 VanDerWaalsContact C-N 3.29Å; D12-F14 PolarHBondContact O-N 3.25Å; D12-A15 PolarHBondContact O-N 3.33Å; D12-L16 WeakPolarHBondContact O-CB 3.17Å; D12-L16 WeakPolarHBondContact O-CD1 3.23Å; D12-L16 WeakPolarHBondContact O-CG 3.38Å; D12-L16 PolarHBondContact O-N 3.28Å |
| 13 | F | 60.3 | Low | 56.1 | Low | 109 Ų | 109 | 110.2 Ų | 110.2 | 48% | 0.478 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.2 | -36.9 | 173.1 | -159.8 | -91.7 | 0 | 0 | 0 | 111.6 | S9 K17 | S9-F13 PolarHBondContact O-N 3.11Å; F13-K17 WeakPolarHBondContact O-CB 3.33Å; F13-K17 PolarHBondContact O-N 3.21Å |
| 14 | F | 58.8 | Low | 56.6 | Low | 100 Ų | 100 | 102.1 Ų | 102.1 | 44% | 0.439 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70 | -39.9 | 175.9 | -154.5 | -90.1 | 0 | 0 | 0 | 112.5 | D10 Q11 D12 K17 A18 R135 | D10-F14 WeakPolarHBondContact O-CB 3.08Å; D10-F14 PolarHBondContact O-N 2.98Å; Q11-F14 PolarHBondContact O-N 3.31Å; D12-F14 VanDerWaalsContact C-N 3.29Å; D12-F14 PolarHBondContact O-N 3.25Å; F14-K17 PolarHBondContact O-N 3.14Å; F14-A18 WeakPolarHBondContact O-CB 3.37Å; F14-A18 PolarHBondContact O-N 3.48Å; F14-R135 VanDerWaalsContact CE2-NH1 3.3Å |
| 15 | A | 61.2 | Low | 56.3 | Low | 52 Ų | 52 | 103.3 Ų | 103.3 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.1 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q11 D12 A18 L19 | Q11-A15 WeakPolarHBondContact O-CB 3.36Å; Q11-A15 PolarHBondContact O-N 2.73Å; D12-A15 PolarHBondContact O-N 3.33Å; A15-A18 PolarHBondContact O-N 3.46Å; A15-L19 WeakPolarHBondContact O-CD1 3.32Å; A15-L19 WeakPolarHBondContact O-CG 3.41Å; A15-L19 PolarHBondContact O-N 2.94Å; A15-L19 VanDerWaalsContact O-N 3.12Å |
| 16 | L | 59.3 | Low | 56.3 | Low | 56 Ų | 56 | 99.6 Ų | 99.6 | 29% | 0.293 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 173.7 | -84 | 155.2 | 0 | 0 | 0 | 112.2 | D12 L19 I21 L26 | D12-L16 WeakPolarHBondContact O-CB 3.17Å; D12-L16 WeakPolarHBondContact O-CD1 3.23Å; D12-L16 WeakPolarHBondContact O-CG 3.38Å; D12-L16 PolarHBondContact O-N 3.28Å; L16-L19 PolarHBondContact O-N 3.25Å; L16-I21 HydrophobicContact CD2-CD1 3.88Å; L16-L26 HydrophobicContact CD2-CD1 4.22Å |
| 17 | K | 60.5 | Low | 56.5 | Low | 148 Ų | 148 | 102.5 Ų | 102.5 | 64% | 0.643 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.3 | -34.8 | 177.5 | -158.8 | 173 | -173.7 | 175.7 | 0 | 112.5 | F13 F14 L19 R20 | F13-K17 WeakPolarHBondContact O-CB 3.33Å; F13-K17 PolarHBondContact O-N 3.21Å; F14-K17 PolarHBondContact O-N 3.14Å; K17-L19 VanDerWaalsContact C-N 3.28Å; K17-L19 PolarHBondContact O-N 3.22Å; K17-R20 PolarHBondContact O-N 3.35Å |
| 18 | A | 59.3 | Low | 56.6 | Low | 78 Ų | 78 | 102.3 Ų | 102.3 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.8 | -27.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F14 A15 R20 | F14-A18 WeakPolarHBondContact O-CB 3.37Å; F14-A18 PolarHBondContact O-N 3.48Å; A15-A18 PolarHBondContact O-N 3.46Å; A18-R20 VanDerWaalsContact C-N 3.33Å; A18-R20 PolarHBondContact O-N 3.18Å |
| 19 | L | 58.2 | Low | 56.5 | Low | 62 Ų | 62 | 101.8 Ų | 101.8 | 33% | 0.325 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.6 | 179.1 | -75.9 | 162.7 | 0 | 0 | 0 | 114.6 | A15 L16 K17 I21 L98 | A15-L19 WeakPolarHBondContact O-CD1 3.32Å; A15-L19 WeakPolarHBondContact O-CG 3.41Å; A15-L19 PolarHBondContact O-N 2.94Å; A15-L19 VanDerWaalsContact O-N 3.12Å; L16-L19 PolarHBondContact O-N 3.25Å; K17-L19 VanDerWaalsContact C-N 3.28Å; K17-L19 PolarHBondContact O-N 3.22Å; L19-I21 HydrophobicContact CB-CD1 3.97Å; L19-I21 HydrophobicContact CB-CG1 4.1Å; L19-I21 HydrophobicContact CD1-CD1 4.42Å; L19-I21 PolarHBondContact O-N 2.98Å; L19-L98 HydrophobicContact CD2-CD1 4.44Å |
| 20 | R | 57.3 | Low | 56.4 | Low | 233 Ų | 233 | 103.6 Ų | 103.6 | 88% | 0.879 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 33.9 | -176.9 | -80.2 | -172.3 | 173.7 | 175.8 | -0.9 | 113.7 | K17 A18 P22 | K17-R20 PolarHBondContact O-N 3.35Å; A18-R20 VanDerWaalsContact C-N 3.33Å; A18-R20 PolarHBondContact O-N 3.18Å; R20-P22 WeakPolarHBondContact O-CD 3.3Å |
| 21 | I | 53.7 | Low | 56.3 | Low | 43 Ų | 43 | 100.7 Ų | 100.7 | 22% | 0.221 | 52% | 0.515 | C | S | . | . | trans | -77.6 | 119.4 | 173.3 | -63.4 | 166 | 0 | 0 | 0 | 107.2 | L16 L19 D23 V94 | L16-I21 HydrophobicContact CD2-CD1 3.88Å; L19-I21 HydrophobicContact CB-CD1 3.97Å; L19-I21 HydrophobicContact CB-CG1 4.1Å; L19-I21 HydrophobicContact CD1-CD1 4.42Å; L19-I21 PolarHBondContact O-N 2.98Å; I21-D23 PolarHBondContact O-N 3.48Å; I21-V94 HydrophobicContact CD1-CG2 4.11Å | ||
| 22 | P | 57.3 | Low | 56.2 | Low | 77 Ų | 77 | 97.1 Ų | 97.1 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | trans | -63.8 | 126 | -178.5 | 22.2 | -30.4 | 0 | 0 | 0 | 111.1 | R20 S24 R25 | R20-P22 WeakPolarHBondContact O-CD 3.3Å; P22-S24 PolarHBondContact O-N 3.31Å; P22-R25 PolarHBondContact O-N 3.25Å; P22-R25 VanDerWaalsContact O-N 3.11Å | ||
| 23 | D | 54.6 | Low | 56 | Low | 103 Ų | 103 | 100.2 Ų | 100.2 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -23 | -178.5 | -71.2 | -33.3 | 0 | 0 | 0 | 113.5 | I21 R25 L26 Q27 | I21-D23 PolarHBondContact O-N 3.48Å; D23-R25 PolarHBondContact O-N 2.96Å; D23-L26 PolarHBondContact O-N 2.88Å; D23-Q27 PolarHBondContact O-N 3.49Å |
| 24 | S | 57 | Low | 55.8 | Low | 72 Ų | 72 | 103.4 Ų | 103.4 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -24.7 | 178.9 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | P22 | P22-S24 PolarHBondContact O-N 3.31Å |
| 25 | R | 47.8 | Very low | 55.8 | Low | 161 Ų | 161 | 107.5 Ų | 107.5 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -86.9 | -20 | 178.7 | -67 | -156.4 | 163.3 | -154.1 | -5.3 | 113.7 | P22 D23 | P22-R25 PolarHBondContact O-N 3.25Å; P22-R25 VanDerWaalsContact O-N 3.11Å; D23-R25 PolarHBondContact O-N 2.96Å |
| 26 | L | 50.9 | Low | 55.7 | Low | 58 Ų | 58 | 110.3 Ų | 110.3 | 30% | 0.304 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -80.9 | -30.5 | 172 | -84 | 154.8 | 0 | 0 | 0 | 112 | L16 D23 H28 L29 T30 | L16-L26 HydrophobicContact CD2-CD1 4.22Å; D23-L26 PolarHBondContact O-N 2.88Å; L26-H28 PolarHBondContact O-N 3Å; L26-L29 HydrophobicContact CD2-CD1 4.31Å; L26-L29 PolarHBondContact O-N 3.18Å; L26-T30 PolarHBondContact O-N 3.19Å; L26-T30 PolarHBondContact O-OG1 3.03Å |
| 27 | Q | 51.6 | Low | 55.6 | Low | 144 Ų | 144 | 110.4 Ų | 110.4 | 67% | 0.673 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -55.6 | -34 | 173.6 | -89.9 | -176.3 | -10.9 | 0 | 0 | 113 | D23 A31 | D23-Q27 PolarHBondContact O-N 3.49Å; Q27-A31 WeakPolarHBondContact O-CB 3.42Å; Q27-A31 PolarHBondContact O-N 3.41Å |
| 28 | H | 51.6 | Low | 55.4 | Low | 148 Ų | 148 | 108 Ų | 108 | 69% | 0.685 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.5 | -42.1 | 174.4 | -89.9 | -79.4 | 0 | 0 | 0 | 112.6 | L26 E32 | L26-H28 PolarHBondContact O-N 3Å; H28-E32 WeakPolarHBondContact O-CB 3.24Å; H28-E32 PolarHBondContact O-N 2.93Å |
| 29 | L | 52.6 | Low | 55.3 | Low | 87 Ų | 87 | 108.7 Ų | 108.7 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.3 | -41.1 | 178.2 | -74.6 | 159 | 0 | 0 | 0 | 111.7 | L26 E32 E33 | L26-L29 HydrophobicContact CD2-CD1 4.31Å; L26-L29 PolarHBondContact O-N 3.18Å; L29-E32 PolarHBondContact O-N 2.84Å; L29-E33 WeakPolarHBondContact O-CB 3.48Å; L29-E33 PolarHBondContact O-N 2.86Å |
| 30 | T | 54.6 | Low | 55.1 | Low | 87 Ų | 87 | 115.1 Ų | 115.1 | 53% | 0.534 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70.4 | -38.3 | 177.4 | -39.5 | 0 | 0 | 0 | 0 | 111.7 | L26 R34 | L26-T30 PolarHBondContact O-N 3.19Å; L26-T30 PolarHBondContact O-OG1 3.03Å; T30-R34 WeakPolarHBondContact O-CB 3.31Å; T30-R34 PolarHBondContact O-N 2.89Å |
| 31 | A | 56.5 | Low | 54.9 | Low | 57 Ų | 57 | 108 Ų | 108 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.4 | -35.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q27 R35 | Q27-A31 WeakPolarHBondContact O-CB 3.42Å; Q27-A31 PolarHBondContact O-N 3.41Å; A31-R35 WeakPolarHBondContact O-CB 3.44Å; A31-R35 PolarHBondContact O-N 2.61Å |
| 32 | E | 56.9 | Low | 54.8 | Low | 81 Ų | 81 | 110.6 Ų | 110.6 | 38% | 0.379 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -76.4 | -39 | 178.6 | -154.8 | -172.4 | 151.5 | 0 | 0 | 112.4 | H28 L29 R34 R35 K36 | H28-E32 WeakPolarHBondContact O-CB 3.24Å; H28-E32 PolarHBondContact O-N 2.93Å; L29-E32 PolarHBondContact O-N 2.84Å; E32-R34 VanDerWaalsContact C-N 3.35Å; E32-R35 PolarHBondContact O-N 3.4Å; E32-K36 WeakPolarHBondContact O-CB 3.49Å; E32-K36 VanDerWaalsContact O-CG 3.31Å; E32-K36 WeakPolarHBondContact O-CG 3.28Å; E32-K36 PolarHBondContact O-N 3.47Å; E32-K36 VanDerWaalsContact OE1-CE 3.26Å; E32-K36 WeakPolarHBondContact OE1-CE 3.33Å; E32-K36 IonicContact OE1-NZ 3.98Å; E32-K36 PolarHBondContact OE1-NZ 2.89Å |
| 33 | E | 56.4 | Low | 54.3 | Low | 148 Ų | 148 | 117.3 Ų | 117.3 | 69% | 0.692 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.4 | -39.5 | 170.3 | -82 | -160.7 | 152 | 0 | 0 | 111.8 | L29 K36 A37 | L29-E33 WeakPolarHBondContact O-CB 3.48Å; L29-E33 PolarHBondContact O-N 2.86Å; E33-K36 PolarHBondContact O-N 3.32Å; E33-A37 WeakPolarHBondContact O-CB 3.3Å; E33-A37 PolarHBondContact O-N 2.6Å |
| 34 | R | 56.6 | Low | 53.7 | Low | 176 Ų | 176 | 118.8 Ų | 118.8 | 66% | 0.664 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.2 | -42.2 | 175.3 | -156.1 | -180 | -166.6 | 167.5 | 4.3 | 111.4 | T30 E32 K36 A37 E38 | T30-R34 WeakPolarHBondContact O-CB 3.31Å; T30-R34 PolarHBondContact O-N 2.89Å; E32-R34 VanDerWaalsContact C-N 3.35Å; R34-K36 PolarHBondContact O-N 2.88Å; R34-A37 PolarHBondContact O-N 2.86Å; R34-E38 IonicContact NE-OE1 3.28Å; R34-E38 WeakPolarHBondContact O-CB 3.35Å; R34-E38 VanDerWaalsContact O-CG 3.23Å; R34-E38 WeakPolarHBondContact O-CG 3.36Å; R34-E38 PolarHBondContact O-N 3.44Å |
| 35 | R | 58.1 | Low | 53.2 | Low | 187 Ų | 187 | 120.4 Ų | 120.4 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.8 | -40.8 | 171.6 | -99.9 | -173.5 | 175.9 | 171.8 | -0.1 | 112.8 | A31 E32 E38 T39 | A31-R35 WeakPolarHBondContact O-CB 3.44Å; A31-R35 PolarHBondContact O-N 2.61Å; E32-R35 PolarHBondContact O-N 3.4Å; R35-E38 PolarHBondContact O-N 3.19Å; R35-T39 PolarHBondContact O-N 3.28Å; R35-T39 PolarHBondContact O-OG1 2.93Å |
| 36 | K | 58.9 | Low | 53 | Low | 110 Ų | 110 | 120.9 Ų | 120.9 | 48% | 0.478 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.5 | -33.5 | 177.8 | -76.9 | 172.3 | -175.1 | 165 | 0 | 112.2 | E32 E33 R34 T39 R40 | E32-K36 WeakPolarHBondContact O-CB 3.49Å; E32-K36 VanDerWaalsContact O-CG 3.31Å; E32-K36 WeakPolarHBondContact O-CG 3.28Å; E32-K36 PolarHBondContact O-N 3.47Å; E32-K36 VanDerWaalsContact OE1-CE 3.26Å; E32-K36 WeakPolarHBondContact OE1-CE 3.33Å; E32-K36 IonicContact OE1-NZ 3.98Å; E32-K36 PolarHBondContact OE1-NZ 2.89Å; E33-K36 PolarHBondContact O-N 3.32Å; R34-K36 PolarHBondContact O-N 2.88Å; K36-T39 WeakPolarHBondContact CA-OG1 3.3Å; K36-T39 PolarHBondContact O-OG1 3.33Å; K36-R40 PolarHBondContact O-N 3.24Å |
| 37 | A | 57.8 | Low | 52.6 | Low | 58 Ų | 58 | 126.9 Ų | 126.9 | 48% | 0.479 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.5 | -45.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E33 R34 T39 R40 T41 | E33-A37 WeakPolarHBondContact O-CB 3.3Å; E33-A37 PolarHBondContact O-N 2.6Å; R34-A37 PolarHBondContact O-N 2.86Å; A37-T39 PolarHBondContact O-N 3.24Å; A37-R40 PolarHBondContact O-N 2.94Å; A37-T41 PolarHBondContact O-N 2.9Å; A37-T41 PolarHBondContact O-OG1 3.46Å |
| 38 | E | 55.7 | Low | 51.9 | Low | 98 Ų | 98 | 124.9 Ų | 124.9 | 46% | 0.458 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.1 | -36.9 | 176.8 | -74.5 | 166.1 | -173 | 0 | 0 | 112.4 | R34 R35 T41 T42 | R34-E38 IonicContact NE-OE1 3.28Å; R34-E38 WeakPolarHBondContact O-CB 3.35Å; R34-E38 VanDerWaalsContact O-CG 3.23Å; R34-E38 WeakPolarHBondContact O-CG 3.36Å; R34-E38 PolarHBondContact O-N 3.44Å; R35-E38 PolarHBondContact O-N 3.19Å; E38-T41 WeakPolarHBondContact CA-OG1 3.47Å; E38-T41 PolarHBondContact O-N 3.42Å; E38-T41 PolarHBondContact O-OG1 3.42Å; E38-T42 WeakPolarHBondContact O-CB 3.26Å; E38-T42 PolarHBondContact O-N 2.9Å; E38-T42 PolarHBondContact O-OG1 2.88Å |
| 39 | T | 56.6 | Low | 51.2 | Low | 93 Ų | 93 | 125.4 Ų | 125.4 | 57% | 0.571 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.9 | -25 | 174.8 | 28.1 | 0 | 0 | 0 | 0 | 113.5 | R35 K36 A37 R43 | R35-T39 PolarHBondContact O-N 3.28Å; R35-T39 PolarHBondContact O-OG1 2.93Å; K36-T39 WeakPolarHBondContact CA-OG1 3.3Å; K36-T39 PolarHBondContact O-OG1 3.33Å; A37-T39 PolarHBondContact O-N 3.24Å; T39-R43 WeakPolarHBondContact O-CB 3.5Å; T39-R43 PolarHBondContact O-N 3.33Å |
| 40 | R | 54.6 | Low | 50.4 | Low | 197 Ų | 197 | 128.7 Ų | 128.7 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72 | -45.4 | 169.9 | -84.6 | -178.5 | 174 | 170.5 | -1.1 | 111.4 | K36 A37 T42 R43 D44 | K36-R40 PolarHBondContact O-N 3.24Å; A37-R40 PolarHBondContact O-N 2.94Å; R40-T42 VanDerWaalsContact C-N 3.34Å; R40-T42 PolarHBondContact O-N 3.45Å; R40-R43 PolarHBondContact O-N 3.42Å; R40-D44 PolarHBondContact O-N 2.91Å |
| 41 | T | 53.5 | Low | 49.6 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 52% | 0.515 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -65.8 | -34.9 | 174.6 | 30.5 | 0 | 0 | 0 | 0 | 112.5 | A37 E38 R43 D44 V45 | A37-T41 PolarHBondContact O-N 2.9Å; A37-T41 PolarHBondContact O-OG1 3.46Å; E38-T41 WeakPolarHBondContact CA-OG1 3.47Å; E38-T41 PolarHBondContact O-N 3.42Å; E38-T41 PolarHBondContact O-OG1 3.42Å; T41-R43 VanDerWaalsContact C-N 3.33Å; T41-R43 PolarHBondContact O-N 2.83Å; T41-D44 PolarHBondContact O-N 3.38Å; T41-V45 WeakPolarHBondContact O-CB 3.42Å; T41-V45 WeakPolarHBondContact O-CG2 3.35Å; T41-V45 PolarHBondContact O-N 2.96Å |
| 42 | T | 50.6 | Low | 48.4 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 59% | 0.589 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.3 | -26 | 178.6 | -45.3 | 0 | 0 | 0 | 0 | 112.9 | E38 R40 | E38-T42 WeakPolarHBondContact O-CB 3.26Å; E38-T42 PolarHBondContact O-N 2.9Å; E38-T42 PolarHBondContact O-OG1 2.88Å; R40-T42 VanDerWaalsContact C-N 3.34Å; R40-T42 PolarHBondContact O-N 3.45Å |
| 43 | R | 47.7 | Very low | 47.6 | Very low | 219 Ų | 219 | 135.1 Ų | 135.1 | 83% | 0.826 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -82.6 | -24.8 | 177 | -158.7 | 172.7 | -174.4 | 144.2 | 0.6 | 113 | T39 R40 T41 | T39-R43 WeakPolarHBondContact O-CB 3.5Å; T39-R43 PolarHBondContact O-N 3.33Å; R40-R43 PolarHBondContact O-N 3.42Å; T41-R43 VanDerWaalsContact C-N 3.33Å; T41-R43 PolarHBondContact O-N 2.83Å |
| 44 | D | 42.4 | Very low | 46.9 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -93.2 | -15.7 | 175.6 | -72.2 | -26.4 | 0 | 0 | 0 | 113.7 | R40 T41 | R40-D44 PolarHBondContact O-N 2.91Å; T41-D44 PolarHBondContact O-N 3.38Å |
| 45 | V | 45.7 | Very low | 46 | Very low | 105 Ų | 105 | 131 Ų | 131 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -6.6 | -179.7 | 172.8 | 0 | 0 | 0 | 0 | 113.5 | T41 Q47 | T41-V45 WeakPolarHBondContact O-CB 3.42Å; T41-V45 WeakPolarHBondContact O-CG2 3.35Å; T41-V45 PolarHBondContact O-N 2.96Å; V45-Q47 VanDerWaalsContact C-N 3.26Å; V45-Q47 PolarHBondContact O-N 3.29Å |
| 46 | M | 43.3 | Very low | 45.4 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 85% | 0.847 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 13.7 | 178.1 | -147.7 | 159.2 | 166 | 0 | 0 | 113.8 | ||
| 47 | Q | 42.3 | Very low | 44.8 | Very low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -131.6 | 60.2 | 173.6 | -82.3 | -173 | -7.9 | 0 | 0 | 111.9 | V45 | V45-Q47 VanDerWaalsContact C-N 3.26Å; V45-Q47 PolarHBondContact O-N 3.29Å |
| 48 | S | 38.1 | Very low | 44.1 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -158.5 | 90.1 | 154.1 | 65.2 | 0 | 0 | 0 | 0 | 110.1 | D50 | S48-D50 PolarHBondContact O-N 3.46Š| ||
| 49 | N | 35.5 | Very low | 43.3 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | trans | -66.2 | 118.9 | 159.8 | -76.3 | -22.6 | 0 | 0 | 0 | 108.3 | ||||
| 50 | D | 35.7 | Very low | 42.7 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | 155 | 137.8 | 134.5 | -83.1 | -28.4 | 0 | 0 | 0 | 112.2 | S48 | S48-D50 PolarHBondContact O-N 3.46Š| ||
| 51 | A | 38.7 | Very low | 41.8 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | trans | 66.1 | 91.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 52 | S | 32.2 | Very low | 41.3 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | 84.9 | 130.1 | 89.7 | 74.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 53 | L | 38.1 | Very low | 40.6 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | trans | 73.5 | 105.9 | 162.3 | -67.6 | 147.6 | 0 | 0 | 0 | 118.4 | ||||
| 54 | A | 42.2 | Very low | 39.8 | Very low | 89 Ų | 89 | 130 Ų | 130 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | 145.5 | 90.9 | 109.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 55 | V | 39.2 | Very low | 39.4 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | 59.1 | 119.7 | 126.2 | -172.8 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 56 | D | 43.8 | Very low | 39.2 | Very low | 109 Ų | 109 | 130 Ų | 130 | 58% | 0.583 | 78% | 0.779 | S | S | * | * | trans | -86.3 | 131.2 | 179.3 | 176.4 | 0.6 | 0 | 0 | 0 | 112.8 | F58 | D56-F58 PolarHBondContact OD1-N 2.82Š| ||
| 57 | P | 46.8 | Very low | 39 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -81.5 | -4.2 | -178.1 | 29.3 | -31.5 | 0 | 0 | 0 | 116.9 | ||
| 58 | F | 43.2 | Very low | 38.6 | Very low | 184 Ų | 184 | 125.1 Ų | 125.1 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | -141.4 | 30.3 | -176.2 | -68.2 | -75.4 | 0 | 0 | 0 | 117.1 | D56 I60 | D56-F58 PolarHBondContact OD1-N 2.82Å; F58-I60 PolarHBondContact O-N 3.25Å; F58-I60 VanDerWaalsContact O-N 3.09Å | ||
| 59 | N | 39.6 | Very low | 38.5 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | trans | -63.5 | 110.3 | 169.2 | -170.6 | 15.2 | 0 | 0 | 0 | 111.5 | ||||
| 60 | I | 44.3 | Very low | 38.3 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 82% | 0.821 | 78% | 0.777 | S | S | * | * | trans | -118.5 | 102 | 155.5 | -61.4 | 178.8 | 0 | 0 | 0 | 107.3 | F58 | F58-I60 PolarHBondContact O-N 3.25Å; F58-I60 VanDerWaalsContact O-N 3.09Å | ||
| 61 | D | 35.4 | Very low | 38.5 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | trans | -58.8 | 131.9 | 170.9 | -158 | -2 | 0 | 0 | 0 | 110.9 | ||||
| 62 | N | 42.7 | Very low | 38.4 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -169 | 80.7 | 150.1 | -97.6 | -22.7 | 0 | 0 | 0 | 110.4 | ||||
| 63 | G | 35.7 | Very low | 38.5 | Very low | 75 Ų | 75 | 130 Ų | 130 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 48.1 | 118.3 | 132.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 64 | G | 31.1 | Very low | 38.5 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 170.2 | 53.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 65 | S | 34.1 | Very low | 38.1 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | 37 | 134.3 | 156.5 | -129.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 66 | P | 41.4 | Very low | 38 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -95.2 | 152.3 | -175.9 | 38.5 | -32.5 | 0 | 0 | 0 | 113.2 | ||||
| 67 | S | 38.5 | Very low | 37.6 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -155.2 | 112.8 | 153.3 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 68 | N | 34.2 | Very low | 37.4 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | 41.3 | 114.7 | 129.5 | -55.2 | -17.6 | 0 | 0 | 0 | 118.5 | |||||
| 69 | Q | 35.7 | Very low | 37.6 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | -177.9 | 116.2 | 98.5 | -97.5 | 171.7 | 32.4 | 0 | 0 | 111.7 | A71 | Q69-A71 PolarHBondContact O-N 2.94Š| |||
| 70 | S | 31.3 | Very low | 38.1 | Very low | 126 Ų | 126 | 131 Ų | 131 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | -57.7 | 108.4 | 152.5 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 71 | A | 39.7 | Very low | 38.2 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 60% | 0.595 | 77% | 0.768 | S | S | * | * | trans | -127.9 | 103.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q69 | Q69-A71 PolarHBondContact O-N 2.94Š| ||
| 72 | I | 37.8 | Very low | 38.8 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | 78.2 | 96 | 134.9 | -54.1 | 162 | 0 | 0 | 0 | 116 | Q74 | I72-Q74 PolarHBondContact O-N 3.5Š| ||
| 73 | M | 33.6 | Very low | 39.1 | Very low | 185 Ų | 185 | 119.3 Ų | 119.3 | 91% | 0.911 | 74% | 0.742 | S | S | * | * | trans | -51.3 | 114.3 | 146.5 | -83.9 | 160.4 | 68.2 | 0 | 0 | 109.8 | ||||
| 74 | Q | 37.8 | Very low | 39.9 | Very low | 178 Ų | 178 | 122.9 Ų | 122.9 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | 179 | 91.2 | 150.1 | -102.2 | 171.6 | 40 | 0 | 0 | 108.7 | I72 | I72-Q74 PolarHBondContact O-N 3.5Š| ||
| 75 | Q | 35.5 | Very low | 41.1 | Very low | 188 Ų | 188 | 128.1 Ų | 128.1 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | trans | 162.3 | 65.7 | 152.8 | -93.7 | 172.3 | -10.2 | 0 | 0 | 109.3 | ||||
| 76 | A | 35.2 | Very low | 42.2 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | trans | -79.1 | 144.6 | 148 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 77 | E | 36.7 | Very low | 43 | Very low | 190 Ų | 190 | 124.9 Ų | 124.9 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 90.8 | 79 | -177.4 | -54.1 | 180 | 164.5 | 0 | 0 | 115.4 | ||
| 78 | S | 42.2 | Very low | 43.9 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | 172.4 | 10.8 | 146.2 | 43.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 79 | S | 46.8 | Very low | 45.2 | Very low | 95 Ų | 95 | 120.4 Ų | 120.4 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | trans | -87 | -13.1 | -176.5 | 55.3 | 0 | 0 | 0 | 0 | 116.6 | G81 C82 | S79-G81 VanDerWaalsContact C-N 3.33Å; S79-G81 PolarHBondContact O-N 3.16Å; S79-C82 PolarHBondContact O-N 3.25Å | ||
| 80 | S | 50.9 | Low | 46.3 | Very low | 100 Ų | 100 | 115.3 Ų | 115.3 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73.3 | -20.3 | -175.5 | 70.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 81 | G | 45.4 | Very low | 47.9 | Very low | 40 Ų | 40 | 115.7 Ų | 115.7 | 41% | 0.412 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -78.3 | -19.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S79 R85 | S79-G81 VanDerWaalsContact C-N 3.33Å; S79-G81 PolarHBondContact O-N 3.16Å; G81-R85 WeakPolarHBondContact O-CG 3.32Å |
| 82 | C | 49.1 | Very low | 49 | Very low | 85 Ų | 85 | 115.5 Ų | 115.5 | 57% | 0.574 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -80.2 | -45.9 | 179.7 | -157.8 | 0 | 0 | 0 | 0 | 110.7 | S79 Q84 R85 V86 | S79-C82 PolarHBondContact O-N 3.25Å; C82-Q84 PolarHBondContact O-N 2.94Å; C82-R85 PolarHBondContact O-N 3.33Å; C82-V86 WeakPolarHBondContact O-CG2 3.39Å; C82-V86 PolarHBondContact O-N 2.94Å; C82-V86 VanDerWaalsContact O-N 3.11Å |
| 83 | D | 49.6 | Very low | 50.1 | Low | 75 Ų | 75 | 113.3 Ų | 113.3 | 40% | 0.401 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.1 | -38.1 | -176.5 | -65.3 | -16.9 | 0 | 0 | 0 | 112.6 | R85 V86 I87 | D83-R85 VanDerWaalsContact C-N 3.31Å; D83-R85 PolarHBondContact O-N 3.23Å; D83-V86 PolarHBondContact O-N 3.24Å; D83-I87 WeakPolarHBondContact O-CG1 3.44Å; D83-I87 PolarHBondContact O-N 3.47Å |
| 84 | Q | 52.4 | Low | 51.5 | Low | 149 Ų | 149 | 106.5 Ų | 106.5 | 70% | 0.696 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.1 | -33.1 | 178.3 | -161.2 | 169 | 24 | 0 | 0 | 112.3 | C82 A88 | C82-Q84 PolarHBondContact O-N 2.94Å; Q84-A88 WeakPolarHBondContact O-CB 3.31Å; Q84-A88 PolarHBondContact O-N 2.91Å |
| 85 | R | 54.7 | Low | 53 | Low | 190 Ų | 190 | 103 Ų | 103 | 72% | 0.717 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.7 | -35.8 | 174 | -70.1 | -177.3 | -169.6 | -152.6 | 2.9 | 111.9 | G81 C82 D83 N89 | G81-R85 WeakPolarHBondContact O-CG 3.32Å; C82-R85 PolarHBondContact O-N 3.33Å; D83-R85 VanDerWaalsContact C-N 3.31Å; D83-R85 PolarHBondContact O-N 3.23Å; R85-N89 VanDerWaalsContact O-CB 3.31Å; R85-N89 WeakPolarHBondContact O-CB 3.45Å; R85-N89 PolarHBondContact O-N 3.36Å; R85-N89 PolarHBondContact O-ND2 3.13Å |
| 86 | V | 58.2 | Low | 54.8 | Low | 80 Ų | 80 | 100.4 Ų | 100.4 | 49% | 0.485 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -43.4 | 176.5 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | C82 D83 N89 L90 | C82-V86 WeakPolarHBondContact O-CG2 3.39Å; C82-V86 PolarHBondContact O-N 2.94Å; C82-V86 VanDerWaalsContact O-N 3.11Å; D83-V86 PolarHBondContact O-N 3.24Å; V86-N89 PolarHBondContact O-N 3.22Å; V86-L90 PolarHBondContact O-N 2.99Å |
| 87 | I | 58.2 | Low | 56.3 | Low | 91 Ų | 91 | 98.5 Ų | 98.5 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -44.7 | 177.2 | -65.3 | 167.3 | 0 | 0 | 0 | 111.2 | D83 N89 L90 F91 | D83-I87 WeakPolarHBondContact O-CG1 3.44Å; D83-I87 PolarHBondContact O-N 3.47Å; I87-N89 VanDerWaalsContact C-N 3.31Å; I87-N89 PolarHBondContact O-N 3.12Å; I87-L90 WeakPolarHBondContact O-CB 3.24Å; I87-L90 PolarHBondContact O-N 3.43Å; I87-L90 VanDerWaalsContact O-N 3.13Å; I87-F91 HydrophobicContact CG2-CD2 3.79Å; I87-F91 HydrophobicContact CG2-CE2 3.39Å; I87-F91 HydrophobicContact CG2-CZ 4.49Å; I87-F91 WeakPolarHBondContact O-CD2 3.43Å; I87-F91 PolarHBondContact O-N 3.4Å; I87-F91 VanDerWaalsContact O-N 3.08Å |
| 88 | A | 56.7 | Low | 57.8 | Low | 49 Ų | 49 | 93 Ų | 93 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q84 L90 F91 C92 | Q84-A88 WeakPolarHBondContact O-CB 3.31Å; Q84-A88 PolarHBondContact O-N 2.91Å; A88-L90 VanDerWaalsContact C-N 3.31Å; A88-L90 PolarHBondContact O-N 3.44Å; A88-F91 PolarHBondContact O-N 2.93Å; A88-C92 WeakPolarHBondContact O-CB 3.24Å; A88-C92 PolarHBondContact O-N 3.28Å; A88-C92 PolarHBondContact O-SG 3.23Å; A88-C92 VanDerWaalsContact O-SG 3.39Å |
| 89 | N | 61.4 | Low | 59.3 | Low | 110 Ų | 110 | 94.2 Ų | 94.2 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.3 | -36.7 | 174 | -73.9 | -18.2 | 0 | 0 | 0 | 111.9 | R85 V86 I87 C92 E93 | R85-N89 VanDerWaalsContact O-CB 3.31Å; R85-N89 WeakPolarHBondContact O-CB 3.45Å; R85-N89 PolarHBondContact O-N 3.36Å; R85-N89 PolarHBondContact O-ND2 3.13Å; V86-N89 PolarHBondContact O-N 3.22Å; I87-N89 VanDerWaalsContact C-N 3.31Å; I87-N89 PolarHBondContact O-N 3.12Å; N89-C92 PolarHBondContact O-N 3.48Å; N89-E93 WeakPolarHBondContact O-CB 3.37Å; N89-E93 PolarHBondContact O-N 2.98Å |
| 90 | L | 59.9 | Low | 60.5 | Low | 70 Ų | 70 | 98 Ų | 98 | 37% | 0.366 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 175.5 | -125.8 | 97.4 | 0 | 0 | 0 | 111.5 | V86 I87 A88 E93 V94 | V86-L90 PolarHBondContact O-N 2.99Å; I87-L90 WeakPolarHBondContact O-CB 3.24Å; I87-L90 PolarHBondContact O-N 3.43Å; I87-L90 VanDerWaalsContact O-N 3.13Å; A88-L90 VanDerWaalsContact C-N 3.31Å; A88-L90 PolarHBondContact O-N 3.44Å; L90-E93 PolarHBondContact O-N 3.39Å; L90-V94 VanDerWaalsContact O-CG2 3.32Å; L90-V94 WeakPolarHBondContact O-CG2 3.42Å; L90-V94 PolarHBondContact O-N 3.32Å |
| 91 | F | 64.8 | Low | 61.4 | Low | 134 Ų | 134 | 95.8 Ų | 95.8 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 177.7 | -73.1 | -64.9 | 0 | 0 | 0 | 112 | I87 A88 E93 V94 D95 | I87-F91 HydrophobicContact CG2-CD2 3.79Å; I87-F91 HydrophobicContact CG2-CE2 3.39Å; I87-F91 HydrophobicContact CG2-CZ 4.49Å; I87-F91 WeakPolarHBondContact O-CD2 3.43Å; I87-F91 PolarHBondContact O-N 3.4Å; I87-F91 VanDerWaalsContact O-N 3.08Å; A88-F91 PolarHBondContact O-N 2.93Å; F91-E93 VanDerWaalsContact C-N 3.26Å; F91-E93 PolarHBondContact O-N 2.94Å; F91-V94 PolarHBondContact O-N 3.29Å; F91-D95 PolarHBondContact O-N 3.43Å |
| 92 | C | 62.4 | Low | 62.8 | Low | 68 Ų | 68 | 100 Ų | 100 | 46% | 0.459 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -34.9 | 174.1 | -75.6 | 0 | 0 | 0 | 0 | 112.9 | A88 N89 K96 | A88-C92 WeakPolarHBondContact O-CB 3.24Å; A88-C92 PolarHBondContact O-N 3.28Å; A88-C92 PolarHBondContact O-SG 3.23Å; A88-C92 VanDerWaalsContact O-SG 3.39Å; N89-C92 PolarHBondContact O-N 3.48Å; C92-K96 WeakPolarHBondContact O-CB 3.45Å; C92-K96 VanDerWaalsContact O-CG 3.28Å; C92-K96 WeakPolarHBondContact O-CG 3.39Å; C92-K96 PolarHBondContact O-N 3.04Å; C92-K96 VanDerWaalsContact O-N 3.16Å |
| 93 | E | 61.3 | Low | 63.9 | Low | 104 Ų | 104 | 99.7 Ų | 99.7 | 49% | 0.486 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.9 | -37.4 | 177.7 | -167.5 | 166.6 | -161.7 | 0 | 0 | 111.9 | N89 L90 F91 N97 | N89-E93 WeakPolarHBondContact O-CB 3.37Å; N89-E93 PolarHBondContact O-N 2.98Å; L90-E93 PolarHBondContact O-N 3.39Å; F91-E93 VanDerWaalsContact C-N 3.26Å; F91-E93 PolarHBondContact O-N 2.94Å; E93-N97 WeakPolarHBondContact O-CB 3.33Å; E93-N97 PolarHBondContact O-N 3.24Å; E93-N97 PolarHBondContact O-ND2 3.41Å |
| 94 | V | 63.7 | Low | 65 | Low | 42 Ų | 42 | 100.6 Ų | 100.6 | 26% | 0.255 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 172.7 | 172.9 | 0 | 0 | 0 | 0 | 111 | I21 L90 F91 K96 N97 L98 | I21-V94 HydrophobicContact CD1-CG2 4.11Å; L90-V94 VanDerWaalsContact O-CG2 3.32Å; L90-V94 WeakPolarHBondContact O-CG2 3.42Å; L90-V94 PolarHBondContact O-N 3.32Å; F91-V94 PolarHBondContact O-N 3.29Å; V94-K96 PolarHBondContact O-N 3.07Å; V94-N97 PolarHBondContact O-N 3.11Å; V94-L98 WeakPolarHBondContact O-CB 3.47Å; V94-L98 PolarHBondContact O-N 3.18Å |
| 95 | D | 68.7 | Low | 65.9 | Low | 105 Ų | 105 | 98.7 Ų | 98.7 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.7 | -43.5 | 178.8 | -78.1 | -18.3 | 0 | 0 | 0 | 111.6 | F91 N97 L98 E99 | F91-D95 PolarHBondContact O-N 3.43Å; D95-N97 VanDerWaalsContact C-N 3.34Å; D95-N97 PolarHBondContact O-N 2.95Å; D95-L98 PolarHBondContact O-N 2.91Å; D95-E99 WeakPolarHBondContact O-CB 3.38Å; D95-E99 PolarHBondContact O-N 3.38Å |
| 96 | K | 73.2 | Confident | 66.7 | Low | 132 Ų | 132 | 93.2 Ų | 93.2 | 57% | 0.574 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.7 | -38.9 | 174.9 | -75.9 | 176.3 | -177.8 | 178.9 | 0 | 112.6 | C92 V94 R100 | C92-K96 WeakPolarHBondContact O-CB 3.45Å; C92-K96 VanDerWaalsContact O-CG 3.28Å; C92-K96 WeakPolarHBondContact O-CG 3.39Å; C92-K96 PolarHBondContact O-N 3.04Å; C92-K96 VanDerWaalsContact O-N 3.16Å; V94-K96 PolarHBondContact O-N 3.07Å; K96-R100 WeakPolarHBondContact O-CB 3.47Å; K96-R100 VanDerWaalsContact O-CG 3.3Å; K96-R100 WeakPolarHBondContact O-CG 3.39Å; K96-R100 PolarHBondContact O-N 2.95Å |
| 97 | N | 65.7 | Low | 67.3 | Low | 53 Ų | 53 | 94.9 Ų | 94.9 | 28% | 0.283 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73.8 | -35.9 | 178.5 | -77.6 | -26.4 | 0 | 0 | 0 | 112.1 | E93 V94 D95 E99 R100 A101 | E93-N97 WeakPolarHBondContact O-CB 3.33Å; E93-N97 PolarHBondContact O-N 3.24Å; E93-N97 PolarHBondContact O-ND2 3.41Å; V94-N97 PolarHBondContact O-N 3.11Å; D95-N97 VanDerWaalsContact C-N 3.34Å; D95-N97 PolarHBondContact O-N 2.95Å; N97-E99 VanDerWaalsContact C-N 3.32Å; N97-R100 PolarHBondContact O-N 2.98Å; N97-A101 VanDerWaalsContact O-CB 3.31Å; N97-A101 WeakPolarHBondContact O-CB 3.5Å; N97-A101 PolarHBondContact O-N 3.43Å |
| 98 | L | 69.6 | Low | 67.4 | Low | 74 Ų | 74 | 96.8 Ų | 96.8 | 39% | 0.387 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 172.1 | -168.8 | 85.5 | 0 | 0 | 0 | 110.6 | L19 V94 D95 A101 K102 | L19-L98 HydrophobicContact CD2-CD1 4.44Å; V94-L98 WeakPolarHBondContact O-CB 3.47Å; V94-L98 PolarHBondContact O-N 3.18Å; D95-L98 PolarHBondContact O-N 2.91Å; L98-A101 PolarHBondContact O-N 3.39Å; L98-K102 WeakPolarHBondContact O-CB 3.26Å; L98-K102 WeakPolarHBondContact O-CG 3.35Å; L98-K102 PolarHBondContact O-N 3.3Å |
| 99 | E | 72.5 | Confident | 67.7 | Low | 133 Ų | 133 | 100.7 Ų | 100.7 | 62% | 0.621 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.2 | -44.1 | 176.5 | -166 | 170.5 | -157.7 | 0 | 0 | 111.4 | D95 N97 A101 K102 V103 | D95-E99 WeakPolarHBondContact O-CB 3.38Å; D95-E99 PolarHBondContact O-N 3.38Å; N97-E99 VanDerWaalsContact C-N 3.32Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 2.99Å; E99-K102 PolarHBondContact O-N 3.44Å; E99-V103 VanDerWaalsContact O-CG2 3.3Å; E99-V103 WeakPolarHBondContact O-CG2 3.31Å; E99-V103 PolarHBondContact O-N 3.43Å |
| 100 | R | 73.1 | Confident | 67.7 | Low | 174 Ų | 174 | 104.8 Ų | 104.8 | 66% | 0.657 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.4 | -40.6 | 172.4 | -75.2 | 174 | 179.5 | 173.5 | -2.3 | 112.7 | K96 N97 V103 L104 | K96-R100 WeakPolarHBondContact O-CB 3.47Å; K96-R100 VanDerWaalsContact O-CG 3.3Å; K96-R100 WeakPolarHBondContact O-CG 3.39Å; K96-R100 PolarHBondContact O-N 2.95Å; N97-R100 PolarHBondContact O-N 2.98Å; R100-V103 PolarHBondContact O-N 3.35Å; R100-L104 WeakPolarHBondContact O-CB 3.38Å; R100-L104 PolarHBondContact O-N 3.13Å |
| 101 | A | 69.7 | Low | 67.7 | Low | 54 Ų | 54 | 111.7 Ų | 111.7 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N97 L98 E99 L104 H105 | N97-A101 VanDerWaalsContact O-CB 3.31Å; N97-A101 WeakPolarHBondContact O-CB 3.5Å; N97-A101 PolarHBondContact O-N 3.43Å; L98-A101 PolarHBondContact O-N 3.39Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 2.99Å; A101-L104 PolarHBondContact O-N 3.3Å; A101-H105 WeakPolarHBondContact O-CB 3.39Å; A101-H105 PolarHBondContact O-N 2.71Å |
| 102 | K | 73.6 | Confident | 67.1 | Low | 127 Ų | 127 | 108.4 Ų | 108.4 | 55% | 0.552 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.4 | -46.9 | 172.9 | -76.6 | -179.7 | 178.4 | -178.7 | 0 | 111.7 | L98 E99 L104 H105 D106 | L98-K102 WeakPolarHBondContact O-CB 3.26Å; L98-K102 WeakPolarHBondContact O-CG 3.35Å; L98-K102 PolarHBondContact O-N 3.3Å; E99-K102 PolarHBondContact O-N 3.44Å; K102-L104 VanDerWaalsContact C-N 3.32Å; K102-L104 PolarHBondContact O-N 2.97Å; K102-H105 PolarHBondContact O-N 2.83Å; K102-D106 WeakPolarHBondContact O-CB 3.38Å; K102-D106 PolarHBondContact O-N 3.28Å |
| 103 | V | 73.5 | Confident | 66.6 | Low | 79 Ų | 79 | 108 Ų | 108 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | E99 R100 Q107 | E99-V103 VanDerWaalsContact O-CG2 3.3Å; E99-V103 WeakPolarHBondContact O-CG2 3.31Å; E99-V103 PolarHBondContact O-N 3.43Å; R100-V103 PolarHBondContact O-N 3.35Å; V103-Q107 WeakPolarHBondContact O-CB 3.01Å; V103-Q107 WeakPolarHBondContact O-CG 3.19Å; V103-Q107 PolarHBondContact O-N 2.87Å |
| 104 | L | 72.2 | Confident | 66.1 | Low | 95 Ų | 95 | 110.3 Ų | 110.3 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.3 | -42.2 | 176.3 | -171.2 | 73 | 0 | 0 | 0 | 111.6 | R100 A101 K102 Q107 M108 | R100-L104 WeakPolarHBondContact O-CB 3.38Å; R100-L104 PolarHBondContact O-N 3.13Å; A101-L104 PolarHBondContact O-N 3.3Å; K102-L104 VanDerWaalsContact C-N 3.32Å; K102-L104 PolarHBondContact O-N 2.97Å; L104-Q107 PolarHBondContact O-N 3.48Å; L104-M108 HydrophobicContact CD1-CE 4.43Å; L104-M108 HydrophobicContact CD2-CE 4.15Å; L104-M108 HydrophobicContact CG-CE 4.07Å; L104-M108 WeakPolarHBondContact O-CG 3.34Å; L104-M108 PolarHBondContact O-N 3.03Å |
| 105 | H | 71 | Confident | 65.2 | Low | 108 Ų | 108 | 113 Ų | 113 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.4 | -44.1 | 176.6 | -174.8 | -86 | 0 | 0 | 0 | 111.6 | A101 K102 Q107 M108 Q109 | A101-H105 WeakPolarHBondContact O-CB 3.39Å; A101-H105 PolarHBondContact O-N 2.71Å; K102-H105 PolarHBondContact O-N 2.83Å; H105-Q107 VanDerWaalsContact C-N 3.32Å; H105-Q107 PolarHBondContact O-N 2.92Å; H105-M108 PolarHBondContact O-N 3.2Å; H105-Q109 PolarHBondContact O-N 3.48Å |
| 106 | D | 71.1 | Confident | 63.8 | Low | 75 Ų | 75 | 113.7 Ų | 113.7 | 40% | 0.401 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.5 | -36.1 | 175.1 | -77.2 | -1.6 | 0 | 0 | 0 | 111.7 | K102 R110 | K102-D106 WeakPolarHBondContact O-CB 3.38Å; K102-D106 PolarHBondContact O-N 3.28Å; D106-R110 VanDerWaalsContact O-CB 3.3Å; D106-R110 WeakPolarHBondContact O-CB 3.44Å; D106-R110 VanDerWaalsContact O-CG 3.24Å; D106-R110 WeakPolarHBondContact O-CG 3.43Å; D106-R110 PolarHBondContact O-N 3.2Å |
| 107 | Q | 70.3 | Confident | 62.3 | Low | 115 Ų | 115 | 111.5 Ų | 111.5 | 54% | 0.537 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.5 | -42 | 172.5 | -86.3 | -172.3 | 6.2 | 0 | 0 | 112.4 | V103 L104 H105 R110 R111 | V103-Q107 WeakPolarHBondContact O-CB 3.01Å; V103-Q107 WeakPolarHBondContact O-CG 3.19Å; V103-Q107 PolarHBondContact O-N 2.87Å; L104-Q107 PolarHBondContact O-N 3.48Å; H105-Q107 VanDerWaalsContact C-N 3.32Å; H105-Q107 PolarHBondContact O-N 2.92Å; Q107-R110 PolarHBondContact O-N 3.47Å; Q107-R111 WeakPolarHBondContact O-CB 3.4Å; Q107-R111 PolarHBondContact O-N 3.18Å |
| 108 | M | 60.1 | Low | 61.2 | Low | 131 Ų | 131 | 117.8 Ų | 117.8 | 65% | 0.645 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.9 | -40.9 | 176.6 | -72.2 | -169.4 | -169.5 | 0 | 0 | 111.4 | L104 H105 G112 | L104-M108 HydrophobicContact CD1-CE 4.43Å; L104-M108 HydrophobicContact CD2-CE 4.15Å; L104-M108 HydrophobicContact CG-CE 4.07Å; L104-M108 WeakPolarHBondContact O-CG 3.34Å; L104-M108 PolarHBondContact O-N 3.03Å; H105-M108 PolarHBondContact O-N 3.2Å; M108-G112 PolarHBondContact O-N 3.5Å |
| 109 | Q | 64.9 | Low | 59.6 | Low | 132 Ų | 132 | 118 Ų | 118 | 62% | 0.617 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.2 | -41.8 | 174.9 | -86.9 | -167.5 | -18.4 | 0 | 0 | 112.5 | H105 G112 | H105-Q109 PolarHBondContact O-N 3.48Å; Q109-G112 PolarHBondContact O-N 3.34Å |
| 110 | R | 61 | Low | 57.7 | Low | 196 Ų | 196 | 118.1 Ų | 118.1 | 74% | 0.74 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.1 | -33.6 | 178.3 | -73.3 | 178.5 | -173.6 | -173.8 | 4.1 | 112.8 | D106 Q107 G112 | D106-R110 VanDerWaalsContact O-CB 3.3Å; D106-R110 WeakPolarHBondContact O-CB 3.44Å; D106-R110 VanDerWaalsContact O-CG 3.24Å; D106-R110 WeakPolarHBondContact O-CG 3.43Å; D106-R110 PolarHBondContact O-N 3.2Å; Q107-R110 PolarHBondContact O-N 3.47Å; R110-G112 VanDerWaalsContact C-N 3.31Å |
| 111 | R | 58.6 | Low | 56 | Low | 214 Ų | 214 | 113 Ų | 113 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.1 | -24.4 | 173.6 | -85.6 | -173.1 | 171.6 | -154.4 | -1.8 | 113.5 | Q107 G113 | Q107-R111 WeakPolarHBondContact O-CB 3.4Å; Q107-R111 PolarHBondContact O-N 3.18Å; R111-G113 VanDerWaalsContact C-N 3.26Å; R111-G113 PolarHBondContact O-N 3.26Å |
| 112 | G | 53.4 | Low | 54.4 | Low | 66 Ų | 66 | 122.2 Ų | 122.2 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -2.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | M108 Q109 R110 | M108-G112 PolarHBondContact O-N 3.5Å; Q109-G112 PolarHBondContact O-N 3.34Å; R110-G112 VanDerWaalsContact C-N 3.31Å |
| 113 | G | 51.7 | Low | 53 | Low | 58 Ų | 58 | 120.1 Ų | 120.1 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -98.3 | -22.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | R111 | R111-G113 VanDerWaalsContact C-N 3.26Å; R111-G113 PolarHBondContact O-N 3.26Å |
| 114 | D | 50.3 | Low | 51.3 | Low | 153 Ų | 153 | 123.4 Ų | 123.4 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -123.2 | 7.6 | -164.9 | -77.7 | -22 | 0 | 0 | 0 | 115.5 | ||
| 115 | S | 44.2 | Very low | 50.1 | Low | 100 Ų | 100 | 127.4 Ų | 127.4 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | trans | -108 | 69.2 | 173.2 | 66.6 | 0 | 0 | 0 | 0 | 111.4 | S117 | S115-S117 VanDerWaalsContact C-N 3.26Å; S115-S117 PolarHBondContact O-N 3.43Å | ||
| 116 | S | 39.8 | Very low | 49.1 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -81.4 | 66.4 | 162.3 | 42.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 117 | S | 41.6 | Very low | 48.1 | Very low | 87 Ų | 87 | 127.7 Ų | 127.7 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -168 | 115 | 161.4 | -142.1 | 0 | 0 | 0 | 0 | 110.3 | S115 | S115-S117 VanDerWaalsContact C-N 3.26Å; S115-S117 PolarHBondContact O-N 3.43Å |
| 118 | E | 43.2 | Very low | 47.1 | Very low | 185 Ų | 185 | 126.7 Ų | 126.7 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | 50.5 | 103.7 | 137.4 | -61.5 | 177.8 | 128.3 | 0 | 0 | 118.8 | ||||
| 119 | G | 35.7 | Very low | 46.8 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | 94.6 | 134.1 | 140.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 120 | S | 32.9 | Very low | 46.3 | Very low | 136 Ų | 136 | 124.1 Ų | 124.1 | 95% | 0.951 | 72% | 0.721 | S | S | * | * | trans | 80.1 | 99.8 | 170.8 | -163.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 121 | G | 37.4 | Very low | 46.2 | Very low | 66 Ų | 66 | 120 Ų | 120 | 68% | 0.68 | 71% | 0.712 | S | S | * | * | trans | 171.3 | 23.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | A123 | G121-A123 PolarHBondContact O-N 2.88Š| ||
| 122 | Y | 36.8 | Very low | 46.2 | Very low | 248 Ų | 248 | 112.9 Ų | 112.9 | 97% | 0.973 | 69% | 0.69 | S | S | * | * | trans | -72.4 | 50.6 | 161.1 | -74.3 | -83 | 0 | 0 | 0 | 110.2 | E124 | Y122-E124 PolarHBondContact O-N 3.46Š| ||
| 123 | A | 43 | Very low | 46.7 | Very low | 83 Ų | 83 | 114.3 Ų | 114.3 | 69% | 0.686 | 68% | 0.678 | S | S | * | * | trans | -76 | 80.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | G121 L125 | G121-A123 PolarHBondContact O-N 2.88Å; A123-L125 PolarHBondContact O-N 3.19Å; A123-L125 VanDerWaalsContact O-N 3.08Å | ||
| 124 | E | 39.2 | Very low | 47.2 | Very low | 149 Ų | 149 | 118 Ų | 118 | 70% | 0.696 | 68% | 0.679 | S | S | * | * | trans | 40.8 | 67.5 | 133.2 | -134.5 | -178.1 | 160.5 | 0 | 0 | 114.6 | Y122 L126 | Y122-E124 PolarHBondContact O-N 3.46Å; E124-L126 HydrophobicContact CB-CD1 4.46Å; E124-L126 HydrophobicContact CG-CD1 3.86Å; E124-L126 HydrophobicContact CG-CG 3.87Å; E124-L126 PolarHBondContact O-N 2.98Å; E124-L126 WeakPolarHBondContact OE1-CD1 3.5Å | ||
| 125 | L | 47.1 | Very low | 47.8 | Very low | 178 Ų | 178 | 117.3 Ų | 117.3 | 93% | 0.932 | 67% | 0.665 | S | S | * | * | trans | -67.6 | 74.8 | 149.6 | -72.3 | 173.6 | 0 | 0 | 0 | 106.8 | A123 | A123-L125 PolarHBondContact O-N 3.19Å; A123-L125 VanDerWaalsContact O-N 3.08Å | ||
| 126 | L | 49.4 | Very low | 48.8 | Very low | 111 Ų | 111 | 121 Ų | 121 | 58% | 0.581 | 66% | 0.664 | S | S | * | * | trans | -45 | 146.5 | 168.6 | -96.9 | 134.7 | 0 | 0 | 0 | 109.3 | E124 C128 | E124-L126 HydrophobicContact CB-CD1 4.46Å; E124-L126 HydrophobicContact CG-CD1 3.86Å; E124-L126 HydrophobicContact CG-CG 3.87Å; E124-L126 PolarHBondContact O-N 2.98Å; E124-L126 WeakPolarHBondContact OE1-CD1 3.5Å; L126-C128 VanDerWaalsContact C-N 3.26Å; L126-C128 PolarHBondContact O-N 3.43Å | ||
| 127 | P | 49.8 | Very low | 50.2 | Low | 79 Ų | 79 | 120.6 Ų | 120.6 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -75.3 | 58.3 | -154.3 | 33.5 | -37.9 | 0 | 0 | 0 | 114.3 | N129 E130 | P127-N129 PolarHBondContact O-N 3.45Å; P127-N129 VanDerWaalsContact O-N 3.14Å; P127-E130 PolarHBondContact O-N 2.88Å |
| 128 | C | 48.8 | Very low | 51.6 | Low | 94 Ų | 94 | 118.4 Ų | 118.4 | 64% | 0.635 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -58.7 | -24.4 | 172.8 | -84.3 | 0 | 0 | 0 | 0 | 112.6 | L126 D132 | L126-C128 VanDerWaalsContact C-N 3.26Å; L126-C128 PolarHBondContact O-N 3.43Å; C128-D132 PolarHBondContact O-N 3.36Å |
| 129 | N | 54.8 | Low | 53 | Low | 110 Ų | 110 | 116.9 Ų | 116.9 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.7 | -31.2 | 179.9 | -157.8 | -2 | 0 | 0 | 0 | 113.1 | P127 K133 | P127-N129 PolarHBondContact O-N 3.45Å; P127-N129 VanDerWaalsContact O-N 3.14Å; N129-K133 VanDerWaalsContact O-CG 3.26Å; N129-K133 WeakPolarHBondContact O-CG 3.46Å; N129-K133 PolarHBondContact O-N 2.84Å |
| 130 | E | 54.3 | Low | 54.8 | Low | 99 Ų | 99 | 119.3 Ų | 119.3 | 46% | 0.463 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -77.5 | -38.4 | -179.8 | -76.7 | -66.5 | 125.4 | 0 | 0 | 112 | P127 D132 K133 Q134 | P127-E130 PolarHBondContact O-N 2.88Å; E130-D132 VanDerWaalsContact C-N 3.34Å; E130-D132 PolarHBondContact O-N 3.08Å; E130-K133 PolarHBondContact O-N 2.93Å; E130-K133 IonicContact OE1-NZ 2.71Å; E130-K133 PolarHBondContact OE1-NZ 3.43Å; E130-Q134 PolarHBondContact O-N 3.35Å |
| 131 | I | 58.3 | Low | 56.8 | Low | 109 Ų | 109 | 122.4 Ų | 122.4 | 56% | 0.559 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.6 | -41.7 | 178.2 | -57.2 | 175 | 0 | 0 | 0 | 110.2 | Q134 R135 | I131-Q134 PolarHBondContact O-N 2.92Å; I131-R135 WeakPolarHBondContact O-CB 3.42Å; I131-R135 PolarHBondContact O-N 3.39Å |
| 132 | D | 59.5 | Low | 58.4 | Low | 64 Ų | 64 | 126.2 Ų | 126.2 | 34% | 0.342 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.9 | -37.5 | 176 | -81.8 | -16.9 | 0 | 0 | 0 | 112.5 | C128 E130 R136 | C128-D132 PolarHBondContact O-N 3.36Å; E130-D132 VanDerWaalsContact C-N 3.34Å; E130-D132 PolarHBondContact O-N 3.08Å; D132-R136 WeakPolarHBondContact O-CB 3.38Å; D132-R136 VanDerWaalsContact O-CG 3.24Å; D132-R136 WeakPolarHBondContact O-CG 3.5Å; D132-R136 PolarHBondContact O-N 2.89Å |
| 133 | K | 62.2 | Low | 60.4 | Low | 97 Ų | 97 | 117.1 Ų | 117.1 | 42% | 0.422 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.5 | -49.1 | 175.1 | -75.5 | 174.1 | -169.6 | 172.7 | 0 | 111.7 | N129 E130 R135 R136 I137 | N129-K133 VanDerWaalsContact O-CG 3.26Å; N129-K133 WeakPolarHBondContact O-CG 3.46Å; N129-K133 PolarHBondContact O-N 2.84Å; E130-K133 PolarHBondContact O-N 2.93Å; E130-K133 IonicContact OE1-NZ 2.71Å; E130-K133 PolarHBondContact OE1-NZ 3.43Å; K133-R135 VanDerWaalsContact C-N 3.3Å; K133-R135 PolarHBondContact O-N 3.02Å; K133-R136 PolarHBondContact O-N 3.32Å; K133-I137 WeakPolarHBondContact O-CD1 3.29Å; K133-I137 VanDerWaalsContact O-CG1 3.24Å; K133-I137 WeakPolarHBondContact O-CG1 3.2Å; K133-I137 PolarHBondContact O-N 3.39Å |
| 134 | Q | 62.7 | Low | 62.3 | Low | 136 Ų | 136 | 117 Ų | 117 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.2 | -40.2 | 178.8 | -77.6 | -175 | -16.6 | 0 | 0 | 111.7 | E130 I131 I137 G138 | E130-Q134 PolarHBondContact O-N 3.35Å; I131-Q134 PolarHBondContact O-N 2.92Å; Q134-I137 PolarHBondContact O-N 2.8Å; Q134-G138 PolarHBondContact O-N 3.45Å |
| 135 | R | 62.8 | Low | 64.4 | Low | 138 Ų | 138 | 113.7 Ų | 113.7 | 52% | 0.521 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.8 | -39.7 | 177.1 | -163.7 | 175.1 | -177.7 | -163.7 | -2.5 | 112.3 | F14 I131 K133 G138 W139 | F14-R135 VanDerWaalsContact CE2-NH1 3.3Å; I131-R135 WeakPolarHBondContact O-CB 3.42Å; I131-R135 PolarHBondContact O-N 3.39Å; K133-R135 VanDerWaalsContact C-N 3.3Å; K133-R135 PolarHBondContact O-N 3.02Å; R135-G138 PolarHBondContact O-N 3.16Å; R135-W139 WeakPolarHBondContact O-CB 3.47Å; R135-W139 PolarHBondContact O-N 3.21Å |
| 136 | R | 65.8 | Low | 66.1 | Low | 178 Ų | 178 | 111.1 Ų | 111.1 | 67% | 0.672 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -39.8 | 173.1 | -74.1 | 178.1 | -153.6 | -147.1 | 7 | 112.1 | D132 K133 W139 F140 | D132-R136 WeakPolarHBondContact O-CB 3.38Å; D132-R136 VanDerWaalsContact O-CG 3.24Å; D132-R136 WeakPolarHBondContact O-CG 3.5Å; D132-R136 PolarHBondContact O-N 2.89Å; K133-R136 PolarHBondContact O-N 3.32Å; R136-W139 PolarHBondContact O-N 3.05Å; R136-F140 VanDerWaalsContact O-CB 3.29Å; R136-F140 WeakPolarHBondContact O-CB 3.35Å; R136-F140 PolarHBondContact O-N 3Å |
| 137 | I | 68.5 | Low | 67.8 | Low | 108 Ų | 108 | 112.4 Ų | 112.4 | 55% | 0.554 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.7 | -42.7 | 177.9 | -65.7 | 160.7 | 0 | 0 | 0 | 110.9 | K133 Q134 F140 R141 | K133-I137 WeakPolarHBondContact O-CD1 3.29Å; K133-I137 VanDerWaalsContact O-CG1 3.24Å; K133-I137 WeakPolarHBondContact O-CG1 3.2Å; K133-I137 PolarHBondContact O-N 3.39Å; Q134-I137 PolarHBondContact O-N 2.8Å; I137-F140 PolarHBondContact O-N 3.06Å; I137-R141 PolarHBondContact O-N 2.85Å |
| 138 | G | 71.1 | Confident | 69.7 | Low | 41 Ų | 41 | 112 Ų | 112 | 42% | 0.423 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q134 R135 F140 R141 Q142 | Q134-G138 PolarHBondContact O-N 3.45Å; R135-G138 PolarHBondContact O-N 3.16Å; G138-F140 VanDerWaalsContact C-N 3.34Å; G138-F140 PolarHBondContact O-N 3.41Å; G138-R141 PolarHBondContact O-N 3.22Å; G138-Q142 PolarHBondContact O-N 2.94Å; G138-Q142 VanDerWaalsContact O-N 3.13Å |
| 139 | W | 72.8 | Confident | 71.7 | Confident | 153 Ų | 153 | 111 Ų | 111 | 58% | 0.58 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 176 | -174.6 | 86.3 | 0 | 0 | 0 | 112 | R135 R136 Q142 N143 | R135-W139 WeakPolarHBondContact O-CB 3.47Å; R135-W139 PolarHBondContact O-N 3.21Å; R136-W139 PolarHBondContact O-N 3.05Å; W139-Q142 PolarHBondContact O-N 2.84Å; W139-N143 WeakPolarHBondContact CZ2-ND2 3.43Å; W139-N143 PolarHBondContact NE1-ND2 3.34Å; W139-N143 VanDerWaalsContact NE1-ND2 3.16Å; W139-N143 WeakPolarHBondContact O-CB 3.38Å; W139-N143 PolarHBondContact O-N 2.84Å; W139-N143 PolarHBondContact O-ND2 3.13Å |
| 140 | F | 73.5 | Confident | 73.4 | Confident | 129 Ų | 129 | 110.4 Ų | 110.4 | 57% | 0.566 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 177.6 | -165.2 | -100 | 0 | 0 | 0 | 111.5 | R136 I137 G138 Q142 N143 I144 | R136-F140 VanDerWaalsContact O-CB 3.29Å; R136-F140 WeakPolarHBondContact O-CB 3.35Å; R136-F140 PolarHBondContact O-N 3Å; I137-F140 PolarHBondContact O-N 3.06Å; G138-F140 VanDerWaalsContact C-N 3.34Å; G138-F140 PolarHBondContact O-N 3.41Å; F140-Q142 VanDerWaalsContact C-N 3.33Å; F140-Q142 PolarHBondContact O-N 2.83Å; F140-N143 PolarHBondContact O-N 3.25Å; F140-I144 HydrophobicContact CD1-CD1 4.38Å; F140-I144 HydrophobicContact CE1-CD1 3.74Å; F140-I144 HydrophobicContact CE1-CG1 4.44Å; F140-I144 HydrophobicContact CZ-CD1 4.39Å; F140-I144 WeakPolarHBondContact O-CB 3.48Å; F140-I144 PolarHBondContact O-N 3.34Å |
| 141 | R | 74.7 | Confident | 75.2 | Confident | 201 Ų | 201 | 108.5 Ų | 108.5 | 76% | 0.758 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -37.8 | 175.7 | -86.8 | -175.3 | 142.6 | -139.9 | -3.6 | 113.3 | I137 G138 I144 | I137-R141 PolarHBondContact O-N 2.85Å; G138-R141 PolarHBondContact O-N 3.22Å; R141-I144 WeakPolarHBondContact O-CG2 3.38Å |
| 142 | Q | 72.2 | Confident | 76.8 | Confident | 145 Ų | 145 | 108.1 Ų | 108.1 | 68% | 0.678 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -74.2 | -38.4 | 178.6 | -165.2 | 166.9 | -1.7 | 0 | 0 | 111.6 | G138 W139 F140 H146 | G138-Q142 PolarHBondContact O-N 2.94Å; G138-Q142 VanDerWaalsContact O-N 3.13Å; W139-Q142 PolarHBondContact O-N 2.84Å; F140-Q142 VanDerWaalsContact C-N 3.33Å; F140-Q142 PolarHBondContact O-N 2.83Å; Q142-H146 PolarHBondContact O-CD2 3.46Å |
| 143 | N | 78.7 | Confident | 78.4 | Confident | 58 Ų | 58 | 109.1 Ų | 109.1 | 31% | 0.31 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -78.6 | -24.9 | 179.9 | -74.3 | -70.2 | 0 | 0 | 0 | 114.1 | W139 F140 C145 H146 F147 | W139-N143 WeakPolarHBondContact CZ2-ND2 3.43Å; W139-N143 PolarHBondContact NE1-ND2 3.34Å; W139-N143 VanDerWaalsContact NE1-ND2 3.16Å; W139-N143 WeakPolarHBondContact O-CB 3.38Å; W139-N143 PolarHBondContact O-N 2.84Å; W139-N143 PolarHBondContact O-ND2 3.13Å; F140-N143 PolarHBondContact O-N 3.25Å; N143-C145 VanDerWaalsContact C-N 3.27Å; N143-C145 PolarHBondContact O-N 3.33Å; N143-H146 PolarHBondContact O-N 2.85Å; N143-F147 WeakPolarHBondContact O-CB 3.37Å; N143-F147 PolarHBondContact O-N 2.9Å |
| 144 | I | 82.9 | Confident | 79.9 | Confident | 80 Ų | 80 | 108.4 Ų | 108.4 | 41% | 0.41 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -38 | -178.8 | -151.9 | 169.9 | 0 | 0 | 0 | 111.2 | F140 R141 F147 T148 | F140-I144 HydrophobicContact CD1-CD1 4.38Å; F140-I144 HydrophobicContact CE1-CD1 3.74Å; F140-I144 HydrophobicContact CE1-CG1 4.44Å; F140-I144 HydrophobicContact CZ-CD1 4.39Å; F140-I144 WeakPolarHBondContact O-CB 3.48Å; F140-I144 PolarHBondContact O-N 3.34Å; R141-I144 WeakPolarHBondContact O-CG2 3.38Å; I144-F147 PolarHBondContact O-N 3.33Å; I144-T148 WeakPolarHBondContact O-CB 3.44Å; I144-T148 PolarHBondContact O-N 3.41Å; I144-T148 PolarHBondContact O-OG1 3.23Å |
| 145 | C | 81.7 | Confident | 81.3 | Confident | 80 Ų | 80 | 105.7 Ų | 105.7 | 54% | 0.541 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -49.1 | 177.4 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | N143 F147 T148 V149 | N143-C145 VanDerWaalsContact C-N 3.27Å; N143-C145 PolarHBondContact O-N 3.33Å; C145-F147 VanDerWaalsContact C-N 3.33Å; C145-F147 PolarHBondContact O-N 2.8Å; C145-T148 PolarHBondContact O-N 3.34Å; C145-V149 VanDerWaalsContact O-CG2 3.32Å; C145-V149 WeakPolarHBondContact O-CG2 3.36Å; C145-V149 PolarHBondContact O-N 2.98Å |
| 146 | H | 84.3 | Confident | 82.8 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 57% | 0.569 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.4 | -44.1 | 175.8 | -73.6 | -71.1 | 0 | 0 | 0 | 111.8 | Q142 N143 V149 I150 | Q142-H146 PolarHBondContact O-CD2 3.46Å; N143-H146 PolarHBondContact O-N 2.85Å; H146-V149 PolarHBondContact O-N 3Å; H146-I150 WeakPolarHBondContact O-CD1 3.39Å; H146-I150 VanDerWaalsContact O-CG1 3.22Å; H146-I150 WeakPolarHBondContact O-CG1 3.32Å; H146-I150 PolarHBondContact O-N 2.96Å |
| 147 | F | 85.4 | Confident | 84.1 | Confident | 138 Ų | 138 | 101.4 Ų | 101.4 | 61% | 0.605 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | 178.4 | -172 | -97.4 | 0 | 0 | 0 | 112.1 | N143 I144 C145 V149 I150 V151 | N143-F147 WeakPolarHBondContact O-CB 3.37Å; N143-F147 PolarHBondContact O-N 2.9Å; I144-F147 PolarHBondContact O-N 3.33Å; C145-F147 VanDerWaalsContact C-N 3.33Å; C145-F147 PolarHBondContact O-N 2.8Å; F147-V149 PolarHBondContact O-N 3.46Å; F147-I150 PolarHBondContact O-N 3.28Å; F147-V151 HydrophobicContact CD1-CG2 4.02Å; F147-V151 HydrophobicContact CE1-CG2 3.67Å; F147-V151 HydrophobicContact CZ-CG2 4.03Å; F147-V151 WeakPolarHBondContact O-CG2 3.34Å; F147-V151 PolarHBondContact O-N 3.18Å |
| 148 | T | 88.4 | Confident | 85.2 | Confident | 71 Ų | 71 | 98.2 Ų | 98.2 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 176.8 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | I144 C145 I150 V151 L152 | I144-T148 WeakPolarHBondContact O-CB 3.44Å; I144-T148 PolarHBondContact O-N 3.41Å; I144-T148 PolarHBondContact O-OG1 3.23Å; C145-T148 PolarHBondContact O-N 3.34Å; T148-I150 PolarHBondContact O-N 2.97Å; T148-V151 PolarHBondContact O-N 3.3Å; T148-L152 HydrophobicContact CG2-CD1 4.36Å; T148-L152 WeakPolarHBondContact O-CG 3.22Å; T148-L152 PolarHBondContact O-N 3.5Å |
| 149 | V | 90.2 | Very high | 86.1 | Confident | 73 Ų | 73 | 99.2 Ų | 99.2 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | C145 H146 F147 V151 L152 L153 | C145-V149 VanDerWaalsContact O-CG2 3.32Å; C145-V149 WeakPolarHBondContact O-CG2 3.36Å; C145-V149 PolarHBondContact O-N 2.98Å; H146-V149 PolarHBondContact O-N 3Å; F147-V149 PolarHBondContact O-N 3.46Å; V149-V151 VanDerWaalsContact C-N 3.35Å; V149-V151 PolarHBondContact O-N 3.44Å; V149-L152 PolarHBondContact O-N 3.42Å; V149-L153 HydrophobicContact CG1-CD1 4.11Å; V149-L153 HydrophobicContact CG1-CG 4.45Å; V149-L153 VanDerWaalsContact O-CG 3.31Å; V149-L153 WeakPolarHBondContact O-CG 3.31Å; V149-L153 PolarHBondContact O-N 2.92Å |
| 150 | I | 90.9 | Very high | 87 | Confident | 98 Ų | 98 | 96.5 Ų | 96.5 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.5 | -68.4 | 163.8 | 0 | 0 | 0 | 110.9 | H146 F147 T148 L152 L153 V154 | H146-I150 WeakPolarHBondContact O-CD1 3.39Å; H146-I150 VanDerWaalsContact O-CG1 3.22Å; H146-I150 WeakPolarHBondContact O-CG1 3.32Å; H146-I150 PolarHBondContact O-N 2.96Å; F147-I150 PolarHBondContact O-N 3.28Å; T148-I150 PolarHBondContact O-N 2.97Å; I150-L152 PolarHBondContact O-N 3.01Å; I150-L153 PolarHBondContact O-N 3.25Å; I150-V154 WeakPolarHBondContact O-CG2 3.28Å; I150-V154 PolarHBondContact O-N 3.47Å |
| 151 | V | 91.8 | Very high | 87.8 | Confident | 59 Ų | 59 | 93.4 Ų | 93.4 | 36% | 0.358 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | F147 T148 V149 L153 V154 I155 | F147-V151 HydrophobicContact CD1-CG2 4.02Å; F147-V151 HydrophobicContact CE1-CG2 3.67Å; F147-V151 HydrophobicContact CZ-CG2 4.03Å; F147-V151 WeakPolarHBondContact O-CG2 3.34Å; F147-V151 PolarHBondContact O-N 3.18Å; T148-V151 PolarHBondContact O-N 3.3Å; V149-V151 VanDerWaalsContact C-N 3.35Å; V149-V151 PolarHBondContact O-N 3.44Å; V151-L153 VanDerWaalsContact C-N 3.34Å; V151-L153 PolarHBondContact O-N 2.94Å; V151-V154 PolarHBondContact O-N 3.25Å; V151-I155 HydrophobicContact CG1-CD1 4.12Å; V151-I155 WeakPolarHBondContact O-CG1 3.36Å; V151-I155 PolarHBondContact O-N 3.47Å |
| 152 | L | 92.9 | Very high | 88.7 | Confident | 100 Ų | 100 | 88.9 Ų | 88.9 | 52% | 0.524 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 176.5 | -71.5 | 174.6 | 0 | 0 | 0 | 112.1 | T148 V149 I150 I155 T156 | T148-L152 HydrophobicContact CG2-CD1 4.36Å; T148-L152 WeakPolarHBondContact O-CG 3.22Å; T148-L152 PolarHBondContact O-N 3.5Å; V149-L152 PolarHBondContact O-N 3.42Å; I150-L152 PolarHBondContact O-N 3.01Å; L152-I155 PolarHBondContact O-N 2.98Å; L152-T156 WeakPolarHBondContact O-CB 3.43Å; L152-T156 PolarHBondContact O-N 3.41Å; L152-T156 PolarHBondContact O-OG1 2.75Å |
| 153 | L | 93.6 | Very high | 89.6 | Confident | 86 Ų | 86 | 86.9 Ų | 86.9 | 45% | 0.45 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 174.6 | -69.3 | 171.7 | 0 | 0 | 0 | 111.1 | V149 I150 V151 I155 T156 F157 | V149-L153 HydrophobicContact CG1-CD1 4.11Å; V149-L153 HydrophobicContact CG1-CG 4.45Å; V149-L153 VanDerWaalsContact O-CG 3.31Å; V149-L153 WeakPolarHBondContact O-CG 3.31Å; V149-L153 PolarHBondContact O-N 2.92Å; I150-L153 PolarHBondContact O-N 3.25Å; V151-L153 VanDerWaalsContact C-N 3.34Å; V151-L153 PolarHBondContact O-N 2.94Å; L153-I155 PolarHBondContact O-N 2.85Å; L153-T156 PolarHBondContact O-N 3.23Å; L153-F157 HydrophobicContact CB-CD2 4.32Å; L153-F157 HydrophobicContact CD2-CD2 4.11Å; L153-F157 HydrophobicContact CD2-CE2 3.66Å; L153-F157 WeakPolarHBondContact O-CB 3.35Å; L153-F157 VanDerWaalsContact O-CD2 3.28Å; L153-F157 WeakPolarHBondContact O-CD2 3.42Å; L153-F157 PolarHBondContact O-N 3.44Å |
| 154 | V | 93.3 | Very high | 90.2 | Very high | 82 Ų | 82 | 91.8 Ų | 91.8 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.2 | 172 | 0 | 0 | 0 | 0 | 111.4 | I150 V151 T156 A158 V159 | I150-V154 WeakPolarHBondContact O-CG2 3.28Å; I150-V154 PolarHBondContact O-N 3.47Å; V151-V154 PolarHBondContact O-N 3.25Å; V154-T156 VanDerWaalsContact C-N 3.35Å; V154-T156 PolarHBondContact O-N 3.38Å; V154-A158 HydrophobicContact CG1-CB 4.43Å; V154-A158 WeakPolarHBondContact O-CA 3.42Å; V154-A158 WeakPolarHBondContact O-CB 3.37Å; V154-A158 PolarHBondContact O-N 3.48Å; V154-V159 PolarHBondContact O-N 3.03Å |
| 155 | I | 92.7 | Very high | 90.7 | Very high | 79 Ų | 79 | 93.7 Ų | 93.7 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | I | π-helix | trans | -62.2 | -45.9 | 176.6 | -66.3 | 168.6 | 0 | 0 | 0 | 110.5 | V151 L152 L153 V159 L160 | V151-I155 HydrophobicContact CG1-CD1 4.12Å; V151-I155 WeakPolarHBondContact O-CG1 3.36Å; V151-I155 PolarHBondContact O-N 3.47Å; L152-I155 PolarHBondContact O-N 2.98Å; L153-I155 PolarHBondContact O-N 2.85Å; I155-V159 HydrophobicContact CG2-CB 4.36Å; I155-V159 WeakPolarHBondContact O-CB 3.35Å; I155-V159 PolarHBondContact O-N 2.87Å; I155-V159 VanDerWaalsContact O-N 3.14Å; I155-L160 PolarHBondContact O-N 3.14Å |
| 156 | T | 92.6 | Very high | 91.2 | Very high | 73 Ų | 73 | 92.7 Ų | 92.7 | 45% | 0.448 | 48% | 0.483 | S | S | . | . | I | π-helix | trans | -68.2 | -41.6 | -175.6 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | L152 L153 V154 L160 | L152-T156 WeakPolarHBondContact O-CB 3.43Å; L152-T156 PolarHBondContact O-N 3.41Å; L152-T156 PolarHBondContact O-OG1 2.75Å; L153-T156 PolarHBondContact O-N 3.23Å; V154-T156 VanDerWaalsContact C-N 3.35Å; V154-T156 PolarHBondContact O-N 3.38Å; T156-L160 HydrophobicContact CG2-CD1 4.25Å |
| 157 | F | 93.3 | Very high | 91.5 | Very high | 152 Ų | 152 | 89.6 Ų | 89.6 | 67% | 0.667 | 48% | 0.479 | S | S | * | . | I | π-helix | trans | -97.1 | -20.8 | -173.2 | -71.6 | -72.9 | 0 | 0 | 0 | 114.8 | L153 P161 | L153-F157 HydrophobicContact CB-CD2 4.32Å; L153-F157 HydrophobicContact CD2-CD2 4.11Å; L153-F157 HydrophobicContact CD2-CE2 3.66Å; L153-F157 WeakPolarHBondContact O-CB 3.35Å; L153-F157 VanDerWaalsContact O-CD2 3.28Å; L153-F157 WeakPolarHBondContact O-CD2 3.42Å; L153-F157 PolarHBondContact O-N 3.44Å; F157-P161 WeakPolarHBondContact O-CG 3.2Å |
| 158 | A | 91.3 | Very high | 91.7 | Very high | 41 Ų | 41 | 91 Ų | 91 | 34% | 0.339 | 48% | 0.481 | S | S | . | . | I | π-helix | trans | -108.6 | -54.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V154 P161 I162 | V154-A158 HydrophobicContact CG1-CB 4.43Å; V154-A158 WeakPolarHBondContact O-CA 3.42Å; V154-A158 WeakPolarHBondContact O-CB 3.37Å; V154-A158 PolarHBondContact O-N 3.48Å; A158-P161 WeakPolarHBondContact O-CD 3.43Å; A158-I162 WeakPolarHBondContact O-CB 3.42Å; A158-I162 VanDerWaalsContact O-CD1 3.26Å; A158-I162 WeakPolarHBondContact O-CD1 3.12Å; A158-I162 WeakPolarHBondContact O-CG1 3.26Å; A158-I162 PolarHBondContact O-N 3.4Å |
| 159 | V | 91.5 | Very high | 91.7 | Very high | 63 Ų | 63 | 93.5 Ų | 93.5 | 38% | 0.382 | 49% | 0.491 | S | S | . | . | I | π-helix | trans | -70.1 | -44.8 | -171.3 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | V154 I155 I162 L163 | V154-V159 PolarHBondContact O-N 3.03Å; I155-V159 HydrophobicContact CG2-CB 4.36Å; I155-V159 WeakPolarHBondContact O-CB 3.35Å; I155-V159 PolarHBondContact O-N 2.87Å; I155-V159 VanDerWaalsContact O-N 3.14Å; V159-I162 PolarHBondContact O-N 3.37Å; V159-L163 HydrophobicContact CG1-CD1 3.77Å; V159-L163 HydrophobicContact CG1-CG 4.17Å; V159-L163 WeakPolarHBondContact O-CB 3.42Å; V159-L163 WeakPolarHBondContact O-CG 3.32Å; V159-L163 PolarHBondContact O-N 3.28Å |
| 160 | L | 91.3 | Very high | 91.5 | Very high | 95 Ų | 95 | 97.6 Ų | 97.6 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 180 | -65.1 | 177.5 | 0 | 0 | 0 | 113.1 | I155 T156 I162 L163 W164 | I155-L160 PolarHBondContact O-N 3.14Å; T156-L160 HydrophobicContact CG2-CD1 4.25Å; L160-I162 VanDerWaalsContact C-N 3.35Å; L160-I162 PolarHBondContact O-N 3.46Å; L160-L163 PolarHBondContact O-N 2.86Å; L160-W164 VanDerWaalsContact O-CB 3.32Å; L160-W164 WeakPolarHBondContact O-CB 3.42Å; L160-W164 PolarHBondContact O-N 2.9Å |
| 161 | P | 91 | Very high | 90.6 | Very high | 64 Ų | 64 | 99.4 Ų | 99.4 | 42% | 0.416 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | 176.3 | -27 | 38.4 | 0 | 0 | 0 | 113.4 | F157 A158 W164 F165 | F157-P161 WeakPolarHBondContact O-CG 3.2Å; A158-P161 WeakPolarHBondContact O-CD 3.43Å; P161-W164 PolarHBondContact O-N 3.41Å; P161-F165 VanDerWaalsContact O-CB 3.26Å; P161-F165 WeakPolarHBondContact O-CB 3.26Å; P161-F165 PolarHBondContact O-N 3.43Å |
| 162 | I | 91.9 | Very high | 90.5 | Very high | 106 Ų | 106 | 101.5 Ų | 101.5 | 54% | 0.544 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.9 | -48 | 176.7 | -67.6 | 166.9 | 0 | 0 | 0 | 110.2 | A158 V159 L160 W164 F165 C166 | A158-I162 WeakPolarHBondContact O-CB 3.42Å; A158-I162 VanDerWaalsContact O-CD1 3.26Å; A158-I162 WeakPolarHBondContact O-CD1 3.12Å; A158-I162 WeakPolarHBondContact O-CG1 3.26Å; A158-I162 PolarHBondContact O-N 3.4Å; V159-I162 PolarHBondContact O-N 3.37Å; L160-I162 VanDerWaalsContact C-N 3.35Å; L160-I162 PolarHBondContact O-N 3.46Å; I162-W164 VanDerWaalsContact C-N 3.32Å; I162-W164 PolarHBondContact O-N 3.18Å; I162-F165 PolarHBondContact O-N 2.9Å; I162-C166 WeakPolarHBondContact O-CB 3.49Å; I162-C166 PolarHBondContact O-N 2.9Å; I162-C166 PolarHBondContact O-SG 3.13Å |
| 163 | L | 91.2 | Very high | 90.4 | Very high | 104 Ų | 104 | 101.5 Ų | 101.5 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 176.8 | -75.1 | 173.8 | 0 | 0 | 0 | 111.8 | V159 L160 C166 A167 | V159-L163 HydrophobicContact CG1-CD1 3.77Å; V159-L163 HydrophobicContact CG1-CG 4.17Å; V159-L163 WeakPolarHBondContact O-CB 3.42Å; V159-L163 WeakPolarHBondContact O-CG 3.32Å; V159-L163 PolarHBondContact O-N 3.28Å; L160-L163 PolarHBondContact O-N 2.86Å; L163-C166 PolarHBondContact O-N 3.39Å; L163-A167 WeakPolarHBondContact O-CB 3.46Å; L163-A167 PolarHBondContact O-N 3.42Å |
| 164 | W | 93 | Very high | 90.2 | Very high | 161 Ų | 161 | 102.4 Ų | 102.4 | 61% | 0.61 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63 | -43.3 | 176.3 | -178.9 | 85.7 | 0 | 0 | 0 | 112 | L160 P161 I162 A167 R168 | L160-W164 VanDerWaalsContact O-CB 3.32Å; L160-W164 WeakPolarHBondContact O-CB 3.42Å; L160-W164 PolarHBondContact O-N 2.9Å; P161-W164 PolarHBondContact O-N 3.41Å; I162-W164 VanDerWaalsContact C-N 3.32Å; I162-W164 PolarHBondContact O-N 3.18Å; W164-A167 PolarHBondContact O-N 3.19Å; W164-R168 HydrophobicContact CD2-CG 4.29Å; W164-R168 HydrophobicContact CE3-CG 4.48Å; W164-R168 HydrophobicContact CH2-CG 4.25Å; W164-R168 HydrophobicContact CZ2-CG 4.04Å; W164-R168 HydrophobicContact CZ3-CG 4.46Å; W164-R168 WeakPolarHBondContact O-CB 3.48Å; W164-R168 WeakPolarHBondContact O-CG 3.39Å; W164-R168 PolarHBondContact O-N 3.25Å |
| 165 | F | 92 | Very high | 90 | Very high | 120 Ų | 120 | 103.6 Ų | 103.6 | 53% | 0.526 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -44.1 | 176 | -178 | -102.6 | 0 | 0 | 0 | 111.8 | P161 I162 R168 L169 | P161-F165 VanDerWaalsContact O-CB 3.26Å; P161-F165 WeakPolarHBondContact O-CB 3.26Å; P161-F165 PolarHBondContact O-N 3.43Å; I162-F165 PolarHBondContact O-N 2.9Å; F165-R168 PolarHBondContact O-N 3.17Å; F165-L169 HydrophobicContact CD1-CD1 3.87Å; F165-L169 HydrophobicContact CE1-CD1 3.37Å; F165-L169 HydrophobicContact CE1-CG 4.22Å; F165-L169 HydrophobicContact CZ-CD1 3.8Å; F165-L169 HydrophobicContact CZ-CG 4.31Å; F165-L169 WeakPolarHBondContact O-CG 3.49Å; F165-L169 PolarHBondContact O-N 3.41Å; F165-L169 VanDerWaalsContact O-N 3.08Å |
| 166 | C | 92.2 | Very high | 89.9 | Confident | 58 Ų | 58 | 105.1 Ų | 105.1 | 39% | 0.392 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.9 | -43.1 | 174.8 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | I162 L163 R168 L169 L170 | I162-C166 WeakPolarHBondContact O-CB 3.49Å; I162-C166 PolarHBondContact O-N 2.9Å; I162-C166 PolarHBondContact O-SG 3.13Å; L163-C166 PolarHBondContact O-N 3.39Å; C166-R168 VanDerWaalsContact C-N 3.29Å; C166-R168 PolarHBondContact O-N 2.86Å; C166-L169 PolarHBondContact O-N 2.99Å; C166-L170 PolarHBondContact O-N 3.44Å; C166-L170 VanDerWaalsContact O-N 3.13Å |
| 167 | A | 90.9 | Very high | 89.7 | Confident | 58 Ų | 58 | 107.3 Ų | 107.3 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L163 W164 L169 L170 A171 | L163-A167 WeakPolarHBondContact O-CB 3.46Å; L163-A167 PolarHBondContact O-N 3.42Å; W164-A167 PolarHBondContact O-N 3.19Å; A167-L169 VanDerWaalsContact C-N 3.34Å; A167-L170 PolarHBondContact O-N 3.26Å; A167-A171 PolarHBondContact O-N 3.08Å |
| 168 | R | 89.4 | Confident | 89.4 | Confident | 168 Ų | 168 | 104.1 Ų | 104.1 | 63% | 0.634 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.4 | -25.6 | 175 | -81.9 | -73.3 | -170.3 | 155.2 | 0.2 | 114.3 | W164 F165 C166 | W164-R168 HydrophobicContact CD2-CG 4.29Å; W164-R168 HydrophobicContact CE3-CG 4.48Å; W164-R168 HydrophobicContact CH2-CG 4.25Å; W164-R168 HydrophobicContact CZ2-CG 4.04Å; W164-R168 HydrophobicContact CZ3-CG 4.46Å; W164-R168 WeakPolarHBondContact O-CB 3.48Å; W164-R168 WeakPolarHBondContact O-CG 3.39Å; W164-R168 PolarHBondContact O-N 3.25Å; F165-R168 PolarHBondContact O-N 3.17Å; C166-R168 VanDerWaalsContact C-N 3.29Å; C166-R168 PolarHBondContact O-N 2.86Å |
| 169 | L | 88.1 | Confident | 89.3 | Confident | 124 Ų | 124 | 108.9 Ų | 108.9 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -83.5 | -23.4 | 175.2 | -73.2 | 175.3 | 0 | 0 | 0 | 113 | F165 C166 A167 | F165-L169 HydrophobicContact CD1-CD1 3.87Å; F165-L169 HydrophobicContact CE1-CD1 3.37Å; F165-L169 HydrophobicContact CE1-CG 4.22Å; F165-L169 HydrophobicContact CZ-CD1 3.8Å; F165-L169 HydrophobicContact CZ-CG 4.31Å; F165-L169 WeakPolarHBondContact O-CG 3.49Å; F165-L169 PolarHBondContact O-N 3.41Å; F165-L169 VanDerWaalsContact O-N 3.08Å; C166-L169 PolarHBondContact O-N 2.99Å; A167-L169 VanDerWaalsContact C-N 3.34Å |
| 170 | L | 86 | Confident | 89.1 | Confident | 159 Ų | 159 | 112.8 Ų | 112.8 | 83% | 0.832 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -86.7 | -24.3 | 178.4 | -93.3 | 147.9 | 0 | 0 | 0 | 113.5 | C166 A167 | C166-L170 PolarHBondContact O-N 3.44Å; C166-L170 VanDerWaalsContact O-N 3.13Å; A167-L170 PolarHBondContact O-N 3.26Å |
| 171 | A | 72 | Confident | 88.9 | Confident | 136 Ų | 136 | 114.4 Ų | 114.4 | 100% | 1.124 | 61% | 0.614 | S | S | * | * | trans | -90.3 | 0 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A167 | A167-A171 PolarHBondContact O-N 3.08Š|
Retrieved 171 of 171 residues in 69.6 ms
(Link to these results)