| 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 | 68.5 | Low | 92.5 | Very high | 189 Ų | 189 | 117.9 Ų | 117.9 | 93% | 0.931 | 62% | 0.616 | S | S | * | * | 0 | -54.9 | 0 | -71.6 | -54.4 | -100.3 | 0 | 0 | 111.8 | N3 L4 E5 | M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.09Å; M1-N3 VanDerWaalsContact O-N 3.13Å; M1-L4 WeakPolarHBondContact O-CB 3.28Å; M1-L4 PolarHBondContact O-N 3.2Å; M1-E5 PolarHBondContact O-N 3.39Å | |||
| 2 | N | 90.5 | Very high | 92.8 | Very high | 125 Ų | 125 | 115.8 Ų | 115.8 | 67% | 0.668 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -55.2 | -35 | -175.6 | -51.8 | 5.9 | 0 | 0 | 0 | 115.5 | L4 K6 | N2-L4 VanDerWaalsContact C-N 3.34Å; N2-K6 WeakPolarHBondContact O-CB 3.44Å; N2-K6 PolarHBondContact O-N 3.49Å |
| 3 | N | 93.4 | Very high | 92.9 | Very high | 140 Ų | 140 | 111.5 Ų | 111.5 | 75% | 0.749 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.8 | -38.6 | 176.6 | -79.6 | -2.6 | 0 | 0 | 0 | 112.6 | M1 E7 | M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.09Å; M1-N3 VanDerWaalsContact O-N 3.13Å; N3-E7 WeakPolarHBondContact O-CB 3.34Å; N3-E7 PolarHBondContact O-N 2.85Å |
| 4 | L | 94 | Very high | 93 | Very high | 113 Ų | 113 | 115 Ų | 115 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.4 | -41.7 | 179.8 | -176.6 | 65.7 | 0 | 0 | 0 | 110.8 | M1 N2 E7 M8 | M1-L4 WeakPolarHBondContact O-CB 3.28Å; M1-L4 PolarHBondContact O-N 3.2Å; N2-L4 VanDerWaalsContact C-N 3.34Å; L4-E7 PolarHBondContact O-N 2.89Å; L4-M8 WeakPolarHBondContact O-CB 3.34Å; L4-M8 PolarHBondContact O-N 3.5Å |
| 5 | E | 95.9 | Very high | 93.3 | Very high | 110 Ų | 110 | 114 Ų | 114 | 51% | 0.514 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.8 | -46.9 | 174.1 | -175.8 | 175.8 | -166.1 | 0 | 0 | 111.3 | M1 E7 M8 D9 | M1-E5 PolarHBondContact O-N 3.39Å; E5-E7 VanDerWaalsContact C-N 3.33Å; E5-E7 PolarHBondContact O-N 3.26Å; E5-M8 WeakPolarHBondContact O-CB 3.29Å; E5-M8 PolarHBondContact O-N 3.28Å; E5-D9 PolarHBondContact O-N 2.72Å |
| 6 | K | 95.4 | Very high | 93.4 | Very high | 155 Ų | 155 | 110.8 Ų | 110.8 | 67% | 0.674 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.5 | -40.4 | 175.3 | -176.7 | 179.9 | 178.9 | -179 | 0 | 113 | N2 S10 | N2-K6 WeakPolarHBondContact O-CB 3.44Å; N2-K6 PolarHBondContact O-N 3.49Å; K6-S10 VanDerWaalsContact O-CB 3.24Å; K6-S10 WeakPolarHBondContact O-CB 3.39Å; K6-S10 PolarHBondContact O-N 3.46Å |
| 7 | E | 95.6 | Very high | 93.3 | Very high | 137 Ų | 137 | 113.6 Ų | 113.6 | 64% | 0.64 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.6 | -42.1 | 177 | -174.8 | 173.8 | -175.5 | 0 | 0 | 111.3 | N3 L4 E5 S10 A11 | N3-E7 WeakPolarHBondContact O-CB 3.34Å; N3-E7 PolarHBondContact O-N 2.85Å; L4-E7 PolarHBondContact O-N 2.89Å; E5-E7 VanDerWaalsContact C-N 3.33Å; E5-E7 PolarHBondContact O-N 3.26Å; E7-S10 PolarHBondContact O-N 3.32Å; E7-A11 PolarHBondContact O-N 3.04Å |
| 8 | M | 95.9 | Very high | 93.5 | Very high | 106 Ų | 106 | 114.4 Ų | 114.4 | 52% | 0.522 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.9 | -50 | 175.3 | -177.5 | 179 | 71 | 0 | 0 | 111.8 | L4 E5 S10 A11 I12 | L4-M8 WeakPolarHBondContact O-CB 3.34Å; L4-M8 PolarHBondContact O-N 3.5Å; E5-M8 WeakPolarHBondContact O-CB 3.29Å; E5-M8 PolarHBondContact O-N 3.28Å; M8-S10 VanDerWaalsContact C-N 3.3Å; M8-S10 PolarHBondContact O-N 2.95Å; M8-A11 WeakPolarHBondContact O-CB 3.34Å; M8-A11 PolarHBondContact O-N 2.87Å; M8-A11 VanDerWaalsContact O-N 3.15Å; M8-I12 HydrophobicContact CG-CD1 4.03Å; M8-I12 WeakPolarHBondContact O-CG1 3.49Å; M8-I12 PolarHBondContact O-N 3.4Å |
| 9 | D | 95.9 | Very high | 93.6 | Very high | 85 Ų | 85 | 116.5 Ų | 116.5 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62 | -39.4 | 178.6 | -71.1 | -22.2 | 0 | 0 | 0 | 111.9 | E5 A11 I12 A13 | E5-D9 PolarHBondContact O-N 2.72Å; D9-A11 VanDerWaalsContact C-N 3.34Å; D9-A11 PolarHBondContact O-N 3.37Å; D9-I12 PolarHBondContact O-N 2.75Å; D9-A13 WeakPolarHBondContact O-CB 3.2Å; D9-A13 PolarHBondContact O-N 3.38Å |
| 10 | S | 95.8 | Very high | 93.7 | Very high | 79 Ų | 79 | 114.6 Ų | 114.6 | 55% | 0.552 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.5 | -42.3 | 174.9 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | K6 E7 M8 K14 | K6-S10 VanDerWaalsContact O-CB 3.24Å; K6-S10 WeakPolarHBondContact O-CB 3.39Å; K6-S10 PolarHBondContact O-N 3.46Å; E7-S10 PolarHBondContact O-N 3.32Å; M8-S10 VanDerWaalsContact C-N 3.3Å; M8-S10 PolarHBondContact O-N 2.95Å; S10-K14 WeakPolarHBondContact O-CB 3.39Å; S10-K14 PolarHBondContact O-N 2.87Å |
| 11 | A | 96.1 | Very high | 93.8 | Very high | 58 Ų | 58 | 111.5 Ų | 111.5 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E7 M8 D9 K14 E15 | E7-A11 PolarHBondContact O-N 3.04Å; M8-A11 WeakPolarHBondContact O-CB 3.34Å; M8-A11 PolarHBondContact O-N 2.87Å; M8-A11 VanDerWaalsContact O-N 3.15Å; D9-A11 VanDerWaalsContact C-N 3.34Å; D9-A11 PolarHBondContact O-N 3.37Å; A11-K14 PolarHBondContact O-N 3.46Å; A11-E15 WeakPolarHBondContact O-CB 3.46Å; A11-E15 PolarHBondContact O-N 2.91Å |
| 12 | I | 96.6 | Very high | 95.1 | Very high | 93 Ų | 93 | 105 Ų | 105 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 177.2 | -67.5 | 167.3 | 0 | 0 | 0 | 111.1 | M8 D9 E15 S16 | M8-I12 HydrophobicContact CG-CD1 4.03Å; M8-I12 WeakPolarHBondContact O-CG1 3.49Å; M8-I12 PolarHBondContact O-N 3.4Å; D9-I12 PolarHBondContact O-N 2.75Å; I12-E15 PolarHBondContact O-N 3.5Å; I12-S16 WeakPolarHBondContact O-CB 3.38Å; I12-S16 PolarHBondContact O-N 3.4Å; I12-S16 PolarHBondContact O-OG 3.38Å |
| 13 | A | 93.7 | Very high | 95.4 | Very high | 60 Ų | 60 | 102.4 Ų | 102.4 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | D9 S16 R17 | D9-A13 WeakPolarHBondContact O-CB 3.2Å; D9-A13 PolarHBondContact O-N 3.38Å; A13-S16 PolarHBondContact O-N 2.89Å; A13-R17 VanDerWaalsContact O-CB 3.31Å; A13-R17 WeakPolarHBondContact O-CB 3.28Å; A13-R17 PolarHBondContact O-N 2.92Å |
| 14 | K | 95 | Very high | 95.5 | Very high | 160 Ų | 160 | 95.9 Ų | 95.9 | 70% | 0.696 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.6 | -43.6 | 176.5 | -172.5 | 179.7 | -180 | -177 | 0 | 111.8 | S10 A11 R17 Y18 | S10-K14 WeakPolarHBondContact O-CB 3.39Å; S10-K14 PolarHBondContact O-N 2.87Å; A11-K14 PolarHBondContact O-N 3.46Å; K14-R17 PolarHBondContact O-N 3.26Å; K14-Y18 WeakPolarHBondContact O-CB 3.5Å; K14-Y18 PolarHBondContact O-N 2.98Å |
| 15 | E | 96.9 | Very high | 95.6 | Very high | 100 Ų | 100 | 94.4 Ų | 94.4 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.1 | -51.5 | 176 | -169.3 | 62.3 | -151 | 0 | 0 | 110.4 | A11 I12 R17 Y18 W19 | A11-E15 WeakPolarHBondContact O-CB 3.46Å; A11-E15 PolarHBondContact O-N 2.91Å; I12-E15 PolarHBondContact O-N 3.5Å; E15-R17 VanDerWaalsContact C-N 3.26Å; E15-R17 PolarHBondContact O-N 2.91Å; E15-Y18 WeakPolarHBondContact O-CB 3.41Å; E15-Y18 PolarHBondContact O-N 3.4Å; E15-W19 PolarHBondContact O-N 2.92Å; E15-W19 PolarHBondContact OE1-NE1 3.4Å |
| 16 | S | 94.3 | Very high | 95.6 | Very high | 63 Ų | 63 | 92.8 Ų | 92.8 | 44% | 0.441 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -55.6 | -42.7 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | I12 A13 W19 L20 | I12-S16 WeakPolarHBondContact O-CB 3.38Å; I12-S16 PolarHBondContact O-N 3.4Å; I12-S16 PolarHBondContact O-OG 3.38Å; A13-S16 PolarHBondContact O-N 2.89Å; S16-W19 PolarHBondContact O-N 3.24Å; S16-L20 WeakPolarHBondContact O-CG 3.43Å; S16-L20 PolarHBondContact O-N 3.44Å; S16-L20 VanDerWaalsContact O-N 3.11Å |
| 17 | R | 93.2 | Very high | 95.6 | Very high | 158 Ų | 158 | 90.9 Ų | 90.9 | 60% | 0.596 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.4 | -43.4 | 176.5 | -178 | 174.7 | 176.8 | 150 | 4.3 | 112.4 | A13 K14 E15 W19 L20 E21 | A13-R17 VanDerWaalsContact O-CB 3.31Å; A13-R17 WeakPolarHBondContact O-CB 3.28Å; A13-R17 PolarHBondContact O-N 2.92Å; K14-R17 PolarHBondContact O-N 3.26Å; E15-R17 VanDerWaalsContact C-N 3.26Å; E15-R17 PolarHBondContact O-N 2.91Å; R17-W19 VanDerWaalsContact C-N 3.29Å; R17-W19 PolarHBondContact O-N 3.11Å; R17-L20 PolarHBondContact O-N 3.05Å; R17-E21 HydrophobicContact CG-CG 4.38Å; R17-E21 IonicContact CZ-OE1 2.53Å; R17-E21 IonicContact NE-OE1 2.73Å; R17-E21 PolarHBondContact NE-OE1 3.25Å; R17-E21 IonicContact NH2-OE1 2.82Å; R17-E21 WeakPolarHBondContact O-CG 3.41Å; R17-E21 PolarHBondContact O-N 3.5Å |
| 18 | Y | 95.5 | Very high | 95.6 | Very high | 129 Ų | 129 | 84.3 Ų | 84.3 | 51% | 0.506 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 176.7 | 170.8 | -95.3 | 0 | 0 | 0 | 111.6 | K14 E15 E21 N22 | K14-Y18 WeakPolarHBondContact O-CB 3.5Å; K14-Y18 PolarHBondContact O-N 2.98Å; E15-Y18 WeakPolarHBondContact O-CB 3.41Å; E15-Y18 PolarHBondContact O-N 3.4Å; Y18-E21 PolarHBondContact O-N 2.87Å; Y18-N22 WeakPolarHBondContact O-CB 3.29Å; Y18-N22 PolarHBondContact O-N 2.68Å |
| 19 | W | 96.1 | Very high | 95.6 | Very high | 154 Ų | 154 | 84.3 Ų | 84.3 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.2 | -43.7 | 176.7 | -74.4 | 104.5 | 0 | 0 | 0 | 112.6 | E15 S16 R17 N22 D23 | E15-W19 PolarHBondContact O-N 2.92Å; E15-W19 PolarHBondContact OE1-NE1 3.4Å; S16-W19 PolarHBondContact O-N 3.24Å; R17-W19 VanDerWaalsContact C-N 3.29Å; R17-W19 PolarHBondContact O-N 3.11Å; W19-N22 PolarHBondContact O-N 3.21Å; W19-D23 VanDerWaalsContact O-CB 3.28Å; W19-D23 WeakPolarHBondContact O-CB 3.49Å; W19-D23 PolarHBondContact O-N 3.49Å |
| 20 | L | 94.9 | Very high | 95.6 | Very high | 77 Ų | 77 | 87.4 Ų | 87.4 | 40% | 0.403 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 176.4 | -70.6 | 172.8 | 0 | 0 | 0 | 112.3 | S16 R17 A24 C46 | S16-L20 WeakPolarHBondContact O-CG 3.43Å; S16-L20 PolarHBondContact O-N 3.44Å; S16-L20 VanDerWaalsContact O-N 3.11Å; R17-L20 PolarHBondContact O-N 3.05Å; L20-A24 VanDerWaalsContact O-CB 3.28Å; L20-A24 WeakPolarHBondContact O-CB 3.29Å; L20-A24 PolarHBondContact O-N 3.21Å; L20-C46 HydrophobicContact CB-CB 4.27Å |
| 21 | E | 95.8 | Very high | 95.5 | Very high | 50 Ų | 50 | 90.1 Ų | 90.1 | 23% | 0.234 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 177.3 | -73.9 | 179.8 | -167.6 | 0 | 0 | 111.3 | R17 Y18 A24 K25 V43 C46 | R17-E21 HydrophobicContact CG-CG 4.38Å; R17-E21 IonicContact CZ-OE1 2.53Å; R17-E21 IonicContact NE-OE1 2.73Å; R17-E21 PolarHBondContact NE-OE1 3.25Å; R17-E21 IonicContact NH2-OE1 2.82Å; R17-E21 WeakPolarHBondContact O-CG 3.41Å; R17-E21 PolarHBondContact O-N 3.5Å; Y18-E21 PolarHBondContact O-N 2.87Å; E21-A24 PolarHBondContact O-N 3.46Å; E21-K25 WeakPolarHBondContact O-CG 3.28Å; E21-K25 PolarHBondContact O-N 3.33Å; E21-V43 HydrophobicContact CB-CG1 4.48Å; E21-V43 HydrophobicContact CG-CG1 4.5Å; E21-C46 VanDerWaalsContact CG-SG 3.59Å |
| 22 | N | 96.7 | Very high | 95.4 | Very high | 52 Ų | 52 | 90 Ų | 90 | 28% | 0.278 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66 | -43.9 | 178.4 | -171.2 | 61.4 | 0 | 0 | 0 | 112.1 | Y18 W19 A24 K25 I26 | Y18-N22 WeakPolarHBondContact O-CB 3.29Å; Y18-N22 PolarHBondContact O-N 2.68Å; W19-N22 PolarHBondContact O-N 3.21Å; N22-A24 VanDerWaalsContact C-N 3.35Å; N22-A24 PolarHBondContact O-N 3.42Å; N22-K25 WeakPolarHBondContact O-CB 3.37Å; N22-K25 PolarHBondContact O-N 3Å; N22-I26 WeakPolarHBondContact O-CG1 3.46Å; N22-I26 PolarHBondContact O-N 2.84Å |
| 23 | D | 96.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 87.4 Ų | 87.4 | 39% | 0.385 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 173.6 | 176.4 | 79 | 0 | 0 | 0 | 111.6 | W19 K25 I26 R27 | W19-D23 VanDerWaalsContact O-CB 3.28Å; W19-D23 WeakPolarHBondContact O-CB 3.49Å; W19-D23 PolarHBondContact O-N 3.49Å; D23-K25 PolarHBondContact O-N 3.45Å; D23-I26 PolarHBondContact O-N 3.24Å; D23-R27 WeakPolarHBondContact O-CB 3.36Å; D23-R27 WeakPolarHBondContact O-CG 3.31Å; D23-R27 PolarHBondContact O-N 3.49Å; D23-R27 IonicContact OD2-CZ 3.07Å; D23-R27 IonicContact OD2-NE 2.75Å; D23-R27 PolarHBondContact OD2-NE 3.06Å; D23-R27 IonicContact OD2-NH2 2.98Å; D23-R27 PolarHBondContact OD2-NH2 3.44Å |
| 24 | A | 95.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 90.3 Ų | 90.3 | 3% | 0.025 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L20 E21 N22 R27 A28 V43 C46 | L20-A24 VanDerWaalsContact O-CB 3.28Å; L20-A24 WeakPolarHBondContact O-CB 3.29Å; L20-A24 PolarHBondContact O-N 3.21Å; E21-A24 PolarHBondContact O-N 3.46Å; N22-A24 VanDerWaalsContact C-N 3.35Å; N22-A24 PolarHBondContact O-N 3.42Å; A24-R27 PolarHBondContact O-N 3.39Å; A24-A28 WeakPolarHBondContact O-CB 3.33Å; A24-A28 PolarHBondContact O-N 3.49Å; A24-V43 HydrophobicContact CB-CG2 4.48Å; A24-C46 HydrophobicContact CB-CB 3.62Å |
| 25 | K | 96.8 | Very high | 95.3 | Very high | 81 Ų | 81 | 86 Ų | 86 | 35% | 0.352 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 174.3 | -70.8 | 168.3 | -173.9 | 167.6 | 0 | 111.3 | E21 N22 D23 A28 V29 F39 V43 | E21-K25 WeakPolarHBondContact O-CG 3.28Å; E21-K25 PolarHBondContact O-N 3.33Å; N22-K25 WeakPolarHBondContact O-CB 3.37Å; N22-K25 PolarHBondContact O-N 3Å; D23-K25 PolarHBondContact O-N 3.45Å; K25-A28 PolarHBondContact O-N 3.43Å; K25-V29 WeakPolarHBondContact O-CG2 3.36Å; K25-V29 PolarHBondContact O-N 3.48Å; K25-F39 HydrophobicContact CB-CE2 4.24Å; K25-F39 HydrophobicContact CB-CZ 4.02Å; K25-F39 HydrophobicContact CG-CE1 4.44Å; K25-F39 HydrophobicContact CG-CE2 4.36Å; K25-F39 HydrophobicContact CG-CZ 3.7Å; K25-V43 HydrophobicContact CB-CG2 4.4Å; K25-V43 HydrophobicContact CG-CG1 4.23Å; K25-V43 HydrophobicContact CG-CG2 3.56Å |
| 26 | I | 96.5 | Very high | 95.3 | Very high | 77 Ų | 77 | 89.2 Ų | 89.2 | 40% | 0.395 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 178.1 | -68.2 | 167.2 | 0 | 0 | 0 | 110.2 | N22 D23 A28 V29 Q30 | N22-I26 WeakPolarHBondContact O-CG1 3.46Å; N22-I26 PolarHBondContact O-N 2.84Å; D23-I26 PolarHBondContact O-N 3.24Å; I26-A28 PolarHBondContact O-N 3.37Å; I26-V29 PolarHBondContact O-N 3.2Å; I26-Q30 HydrophobicContact CG2-CG 4.31Å; I26-Q30 WeakPolarHBondContact O-CB 3.38Å; I26-Q30 VanDerWaalsContact O-CG 3.28Å; I26-Q30 WeakPolarHBondContact O-CG 3.48Å; I26-Q30 PolarHBondContact O-N 3.38Å |
| 27 | R | 94.7 | Very high | 95.4 | Very high | 114 Ų | 114 | 90.7 Ų | 90.7 | 43% | 0.43 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 177.1 | -75.7 | -171.5 | -70.6 | 168.3 | -0.5 | 112.4 | D23 A24 V29 Q30 Q31 | D23-R27 WeakPolarHBondContact O-CB 3.36Å; D23-R27 WeakPolarHBondContact O-CG 3.31Å; D23-R27 PolarHBondContact O-N 3.49Å; D23-R27 IonicContact OD2-CZ 3.07Å; D23-R27 IonicContact OD2-NE 2.75Å; D23-R27 PolarHBondContact OD2-NE 3.06Å; D23-R27 IonicContact OD2-NH2 2.98Å; D23-R27 PolarHBondContact OD2-NH2 3.44Å; A24-R27 PolarHBondContact O-N 3.39Å; R27-V29 VanDerWaalsContact C-N 3.34Å; R27-V29 PolarHBondContact O-N 3.32Å; R27-Q30 PolarHBondContact O-N 3.45Å; R27-Q31 WeakPolarHBondContact O-CB 3.41Å; R27-Q31 VanDerWaalsContact O-CG 3.29Å; R27-Q31 WeakPolarHBondContact O-CG 3.44Å; R27-Q31 PolarHBondContact O-N 3.16Å |
| 28 | A | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | A24 K25 I26 G32 V33 F39 L42 | A24-A28 WeakPolarHBondContact O-CB 3.33Å; A24-A28 PolarHBondContact O-N 3.49Å; K25-A28 PolarHBondContact O-N 3.43Å; I26-A28 PolarHBondContact O-N 3.37Å; A28-G32 PolarHBondContact O-N 3.4Å; A28-V33 HydrophobicContact CB-CG2 4.33Å; A28-V33 PolarHBondContact O-N 3.07Å; A28-F39 HydrophobicContact CB-CD2 3.54Å; A28-F39 HydrophobicContact CB-CE2 3.96Å; A28-F39 HydrophobicContact CB-CG 4.46Å; A28-L42 HydrophobicContact CB-CB 4.27Å; A28-L42 HydrophobicContact CB-CD1 3.65Å |
| 29 | V | 95.3 | Very high | 95.5 | Very high | 106 Ų | 106 | 82.1 Ų | 82.1 | 64% | 0.642 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.7 | -44.2 | 174.2 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | K25 I26 R27 Q31 G32 F39 | K25-V29 WeakPolarHBondContact O-CG2 3.36Å; K25-V29 PolarHBondContact O-N 3.48Å; I26-V29 PolarHBondContact O-N 3.2Å; R27-V29 VanDerWaalsContact C-N 3.34Å; R27-V29 PolarHBondContact O-N 3.32Å; V29-Q31 PolarHBondContact O-N 3.42Å; V29-G32 PolarHBondContact O-N 2.86Å; V29-G32 VanDerWaalsContact O-N 3.09Å; V29-F39 HydrophobicContact CG2-CE2 4.12Å |
| 30 | Q | 95.9 | Very high | 95.6 | Very high | 150 Ų | 150 | 81 Ų | 81 | 70% | 0.701 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.4 | -38.2 | 178.5 | -75.4 | 174.1 | -15 | 0 | 0 | 112.8 | I26 R27 G32 | I26-Q30 HydrophobicContact CG2-CG 4.31Å; I26-Q30 WeakPolarHBondContact O-CB 3.38Å; I26-Q30 VanDerWaalsContact O-CG 3.28Å; I26-Q30 WeakPolarHBondContact O-CG 3.48Å; I26-Q30 PolarHBondContact O-N 3.38Å; R27-Q30 PolarHBondContact O-N 3.45Å; Q30-G32 PolarHBondContact O-N 2.95Å |
| 31 | Q | 93.6 | Very high | 95.6 | Very high | 136 Ų | 136 | 83.8 Ų | 83.8 | 64% | 0.636 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70 | -17.2 | 174.6 | -73.3 | 176.6 | -9 | 0 | 0 | 112.6 | R27 V29 | R27-Q31 WeakPolarHBondContact O-CB 3.41Å; R27-Q31 VanDerWaalsContact O-CG 3.29Å; R27-Q31 WeakPolarHBondContact O-CG 3.44Å; R27-Q31 PolarHBondContact O-N 3.16Å; V29-Q31 PolarHBondContact O-N 3.42Å |
| 32 | G | 94.3 | Very high | 95.5 | Very high | 55 Ų | 55 | 84.7 Ų | 84.7 | 57% | 0.567 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 48.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A28 V29 Q30 | A28-G32 PolarHBondContact O-N 3.4Å; V29-G32 PolarHBondContact O-N 2.86Å; V29-G32 VanDerWaalsContact O-N 3.09Å; Q30-G32 PolarHBondContact O-N 2.95Å |
| 33 | V | 93.8 | Very high | 95.5 | Very high | 38 Ų | 38 | 83.2 Ų | 83.2 | 23% | 0.23 | 42% | 0.423 | C | S | . | . | trans | -57.5 | 135.1 | -178.5 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | A28 T35 D38 F39 L42 | A28-V33 HydrophobicContact CB-CG2 4.33Å; A28-V33 PolarHBondContact O-N 3.07Å; V33-T35 PolarHBondContact O-N 3.43Å; V33-D38 HydrophobicContact CB-CB 3.91Å; V33-D38 HydrophobicContact CG1-CB 4.31Å; V33-D38 HydrophobicContact CG2-CB 4.47Å; V33-F39 HydrophobicContact CG2-CB 3.75Å; V33-F39 HydrophobicContact CG2-CD2 4.38Å; V33-L42 HydrophobicContact CG1-CD1 3.49Å; V33-L42 VanDerWaalsContact CG1-CD1 3.49Å | ||
| 34 | P | 93.6 | Very high | 95.4 | Very high | 121 Ų | 121 | 82.6 Ų | 82.6 | 79% | 0.786 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -69.2 | -33.8 | -170.2 | -21.5 | 33 | 0 | 0 | 0 | 114.6 | ||
| 35 | T | 96.2 | Very high | 95.3 | Very high | 69 Ų | 69 | 83.6 Ų | 83.6 | 42% | 0.423 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -124.4 | 158.4 | -174.4 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | V33 D37 D38 F39 | V33-T35 PolarHBondContact O-N 3.43Å; T35-D37 PolarHBondContact O-N 3.33Å; T35-D37 PolarHBondContact OG1-N 2.78Å; T35-D38 PolarHBondContact N-OD2 2.93Å; T35-D38 PolarHBondContact O-N 2.88Å; T35-D38 PolarHBondContact OG1-N 3.42Å; T35-D38 PolarHBondContact OG1-OD2 2.93Å; T35-F39 PolarHBondContact O-N 3.15Å |
| 36 | Y | 96.1 | Very high | 95.1 | Very high | 168 Ų | 168 | 80.3 Ų | 80.3 | 66% | 0.659 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.5 | -30 | 172.5 | 178.1 | -101.2 | 0 | 0 | 0 | 112.2 | F39 R40 | Y36-F39 HydrophobicContact CD2-CD1 4.36Å; Y36-F39 HydrophobicContact CE2-CD1 4.22Å; Y36-F39 WeakPolarHBondContact O-CB 3.43Å; Y36-F39 PolarHBondContact O-N 3Å; Y36-R40 HydrophobicContact CE1-CB 4.43Å; Y36-R40 VanDerWaalsContact O-CB 3.29Å; Y36-R40 WeakPolarHBondContact O-CB 3.25Å; Y36-R40 PolarHBondContact O-N 3.21Å |
| 37 | D | 96.9 | Very high | 94.7 | Very high | 95 Ų | 95 | 82.5 Ų | 82.5 | 51% | 0.508 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 176.9 | -80.4 | -39 | 0 | 0 | 0 | 111.7 | T35 F39 R40 E41 | T35-D37 PolarHBondContact O-N 3.33Å; T35-D37 PolarHBondContact OG1-N 2.78Å; D37-F39 PolarHBondContact O-N 2.88Å; D37-R40 PolarHBondContact O-N 2.92Å; D37-R40 IonicContact OD1-NE 3.48Å; D37-R40 IonicContact OD1-NH2 3.41Å; D37-E41 WeakPolarHBondContact O-CB 3.41Å; D37-E41 PolarHBondContact O-N 2.97Å |
| 38 | D | 95.1 | Very high | 94.5 | Very high | 58 Ų | 58 | 83 Ų | 83 | 31% | 0.31 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 173.5 | -56.9 | -42.3 | 0 | 0 | 0 | 111.2 | V33 T35 R40 E41 L42 | V33-D38 HydrophobicContact CB-CB 3.91Å; V33-D38 HydrophobicContact CG1-CB 4.31Å; V33-D38 HydrophobicContact CG2-CB 4.47Å; T35-D38 PolarHBondContact N-OD2 2.93Å; T35-D38 PolarHBondContact O-N 2.88Å; T35-D38 PolarHBondContact OG1-N 3.42Å; T35-D38 PolarHBondContact OG1-OD2 2.93Å; D38-R40 VanDerWaalsContact C-N 3.33Å; D38-R40 PolarHBondContact O-N 3.35Å; D38-E41 PolarHBondContact O-N 2.96Å; D38-L42 WeakPolarHBondContact O-CG 3.47Å; D38-L42 PolarHBondContact O-N 3.49Å |
| 39 | F | 96.7 | Very high | 93.9 | Very high | 49 Ų | 49 | 92 Ų | 92 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -58.4 | -47 | 175 | 176.9 | -91.4 | 0 | 0 | 0 | 111.3 | K25 A28 V29 V33 T35 Y36 D37 E41 L42 V43 | K25-F39 HydrophobicContact CB-CE2 4.24Å; K25-F39 HydrophobicContact CB-CZ 4.02Å; K25-F39 HydrophobicContact CG-CE1 4.44Å; K25-F39 HydrophobicContact CG-CE2 4.36Å; K25-F39 HydrophobicContact CG-CZ 3.7Å; A28-F39 HydrophobicContact CB-CD2 3.54Å; A28-F39 HydrophobicContact CB-CE2 3.96Å; A28-F39 HydrophobicContact CB-CG 4.46Å; V29-F39 HydrophobicContact CG2-CE2 4.12Å; V33-F39 HydrophobicContact CG2-CB 3.75Å; V33-F39 HydrophobicContact CG2-CD2 4.38Å; T35-F39 PolarHBondContact O-N 3.15Å; Y36-F39 HydrophobicContact CD2-CD1 4.36Å; Y36-F39 HydrophobicContact CE2-CD1 4.22Å; Y36-F39 WeakPolarHBondContact O-CB 3.43Å; Y36-F39 PolarHBondContact O-N 3Å; D37-F39 PolarHBondContact O-N 2.88Å; F39-E41 VanDerWaalsContact C-N 3.34Å; F39-E41 PolarHBondContact O-N 3.39Å; F39-L42 PolarHBondContact O-N 2.86Å; F39-V43 HydrophobicContact CD1-CG2 4.31Å; F39-V43 HydrophobicContact CE1-CG2 3.98Å; F39-V43 HydrophobicContact CE2-CG2 4.39Å; F39-V43 HydrophobicContact CZ-CG2 4.04Å; F39-V43 VanDerWaalsContact O-CG2 3.29Å; F39-V43 WeakPolarHBondContact O-CG2 3.34Å; F39-V43 PolarHBondContact O-N 2.9Å |
| 40 | R | 96.5 | Very high | 93.4 | Very high | 130 Ų | 130 | 92.8 Ų | 92.8 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | -179.9 | -175.3 | -174.6 | 64.5 | 74.5 | 3.6 | 111.2 | Y36 D37 D38 V43 A44 | Y36-R40 HydrophobicContact CE1-CB 4.43Å; Y36-R40 VanDerWaalsContact O-CB 3.29Å; Y36-R40 WeakPolarHBondContact O-CB 3.25Å; Y36-R40 PolarHBondContact O-N 3.21Å; D37-R40 PolarHBondContact O-N 2.92Å; D37-R40 IonicContact OD1-NE 3.48Å; D37-R40 IonicContact OD1-NH2 3.41Å; D38-R40 VanDerWaalsContact C-N 3.33Å; D38-R40 PolarHBondContact O-N 3.35Å; R40-V43 PolarHBondContact O-N 2.95Å; R40-A44 VanDerWaalsContact O-CB 3.25Å; R40-A44 WeakPolarHBondContact O-CB 3.32Å; R40-A44 PolarHBondContact O-N 2.95Å |
| 41 | E | 96.2 | Very high | 92.7 | Very high | 135 Ų | 135 | 90.6 Ų | 90.6 | 63% | 0.631 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.7 | -44.4 | 178.5 | -173.1 | 170.5 | -176.1 | 0 | 0 | 111.8 | D37 D38 F39 V43 A44 G45 | D37-E41 WeakPolarHBondContact O-CB 3.41Å; D37-E41 PolarHBondContact O-N 2.97Å; D38-E41 PolarHBondContact O-N 2.96Å; F39-E41 VanDerWaalsContact C-N 3.34Å; F39-E41 PolarHBondContact O-N 3.39Å; E41-V43 PolarHBondContact O-N 3.14Å; E41-A44 PolarHBondContact O-N 2.85Å; E41-G45 PolarHBondContact O-N 3.44Å |
| 42 | L | 93.8 | Very high | 92.2 | Very high | 70 Ų | 70 | 88 Ų | 88 | 37% | 0.366 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 175.4 | -73.4 | 178.3 | 0 | 0 | 0 | 112.5 | A28 V33 D38 F39 G45 C46 | A28-L42 HydrophobicContact CB-CB 4.27Å; A28-L42 HydrophobicContact CB-CD1 3.65Å; V33-L42 HydrophobicContact CG1-CD1 3.49Å; V33-L42 VanDerWaalsContact CG1-CD1 3.49Å; D38-L42 WeakPolarHBondContact O-CG 3.47Å; D38-L42 PolarHBondContact O-N 3.49Å; F39-L42 PolarHBondContact O-N 2.86Å; L42-G45 PolarHBondContact O-N 3.28Å; L42-C46 PolarHBondContact O-N 3Å |
| 43 | V | 96 | Very high | 91.5 | Very high | 21 Ų | 21 | 95.1 Ų | 95.1 | 13% | 0.127 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 178.5 | 177.8 | 0 | 0 | 0 | 0 | 111 | E21 A24 K25 F39 R40 E41 G45 C46 | E21-V43 HydrophobicContact CB-CG1 4.48Å; E21-V43 HydrophobicContact CG-CG1 4.5Å; A24-V43 HydrophobicContact CB-CG2 4.48Å; K25-V43 HydrophobicContact CB-CG2 4.4Å; K25-V43 HydrophobicContact CG-CG1 4.23Å; K25-V43 HydrophobicContact CG-CG2 3.56Å; F39-V43 HydrophobicContact CD1-CG2 4.31Å; F39-V43 HydrophobicContact CE1-CG2 3.98Å; F39-V43 HydrophobicContact CE2-CG2 4.39Å; F39-V43 HydrophobicContact CZ-CG2 4.04Å; F39-V43 VanDerWaalsContact O-CG2 3.29Å; F39-V43 WeakPolarHBondContact O-CG2 3.34Å; F39-V43 PolarHBondContact O-N 2.9Å; R40-V43 PolarHBondContact O-N 2.95Å; E41-V43 PolarHBondContact O-N 3.14Å; V43-G45 VanDerWaalsContact C-N 3.31Å; V43-G45 PolarHBondContact O-N 2.96Å; V43-C46 WeakPolarHBondContact O-CB 3.42Å; V43-C46 PolarHBondContact O-N 3.29Å; V43-C46 PolarHBondContact O-SG 3.04Å |
| 44 | A | 94.4 | Very high | 90.8 | Very high | 59 Ų | 59 | 98.8 Ų | 98.8 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | R40 E41 C46 H47 | R40-A44 VanDerWaalsContact O-CB 3.25Å; R40-A44 WeakPolarHBondContact O-CB 3.32Å; R40-A44 PolarHBondContact O-N 2.95Å; E41-A44 PolarHBondContact O-N 2.85Å; A44-C46 VanDerWaalsContact C-N 3.3Å; A44-C46 PolarHBondContact O-N 3.38Å; A44-H47 PolarHBondContact O-CE1 2.98Å; A44-H47 PolarHBondContact O-ND1 3.39Å |
| 45 | G | 93.1 | Very high | 90.1 | Very high | 24 Ų | 24 | 98.1 Ų | 98.1 | 25% | 0.247 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | -78.4 | 2.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | E41 L42 V43 H47 L48 | E41-G45 PolarHBondContact O-N 3.44Å; L42-G45 PolarHBondContact O-N 3.28Å; V43-G45 VanDerWaalsContact C-N 3.31Å; V43-G45 PolarHBondContact O-N 2.96Å; G45-H47 PolarHBondContact O-N 3.33Å; G45-L48 WeakPolarHBondContact O-CB 3.24Å; G45-L48 PolarHBondContact O-N 3.01Å |
| 46 | C | 91.8 | Very high | 89.1 | Confident | 12 Ų | 12 | 99 Ų | 99 | 8% | 0.081 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -59.6 | -23.5 | -172.6 | 66.8 | 0 | 0 | 0 | 0 | 115.4 | L20 E21 A24 L42 V43 A44 L48 | L20-C46 HydrophobicContact CB-CB 4.27Å; E21-C46 VanDerWaalsContact CG-SG 3.59Å; A24-C46 HydrophobicContact CB-CB 3.62Å; L42-C46 PolarHBondContact O-N 3Å; V43-C46 WeakPolarHBondContact O-CB 3.42Å; V43-C46 PolarHBondContact O-N 3.29Å; V43-C46 PolarHBondContact O-SG 3.04Å; A44-C46 VanDerWaalsContact C-N 3.3Å; A44-C46 PolarHBondContact O-N 3.38Å; C46-L48 VanDerWaalsContact C-N 3.34Å |
| 47 | H | 89 | Confident | 87.8 | Confident | 122 Ų | 122 | 94.6 Ų | 94.6 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -82.7 | -12.4 | 179.7 | 65.1 | -80 | 0 | 0 | 0 | 112.9 | A44 G45 | A44-H47 PolarHBondContact O-CE1 2.98Å; A44-H47 PolarHBondContact O-ND1 3.39Å; G45-H47 PolarHBondContact O-N 3.33Å |
| 48 | L | 90.5 | Very high | 86.5 | Confident | 124 Ų | 124 | 96.5 Ų | 96.5 | 65% | 0.649 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 125 | 175.8 | -60.2 | 177.2 | 0 | 0 | 0 | 109.2 | G45 C46 | G45-L48 WeakPolarHBondContact O-CB 3.24Å; G45-L48 PolarHBondContact O-N 3.01Å; C46-L48 VanDerWaalsContact C-N 3.34Å |
| 49 | K | 84 | Confident | 84.8 | Confident | 189 Ų | 189 | 97.3 Ų | 97.3 | 82% | 0.822 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 143.8 | 174 | -64.9 | 179.5 | -177.6 | 176.8 | 0 | 109.1 | L51 | K49-L51 PolarHBondContact O-N 3.2Š|
| 50 | P | 83.6 | Confident | 82.7 | Confident | 124 Ų | 124 | 97.5 Ų | 97.5 | 81% | 0.805 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 136.3 | 163.3 | -22.1 | 32.8 | 0 | 0 | 0 | 109.5 | D52 | P50-D52 PolarHBondContact O-N 2.98Š|
| 51 | L | 81.3 | Confident | 80.6 | Confident | 103 Ų | 103 | 93.9 Ų | 93.9 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 126.6 | 176.9 | -173.9 | 67.6 | 0 | 0 | 0 | 109.2 | K49 E55 L56 | K49-L51 PolarHBondContact O-N 3.2Å; L51-E55 HydrophobicContact CD1-CB 3.76Å; L51-E55 WeakPolarHBondContact CD1-OE2 3.47Å; L51-E55 HydrophobicContact CG-CB 4.36Å; L51-L56 HydrophobicContact CD2-CB 4.03Å; L51-L56 HydrophobicContact CD2-CD1 3.66Å; L51-L56 HydrophobicContact CD2-CG 4.43Å; L51-L56 HydrophobicContact CG-CB 4.38Å |
| 52 | D | 84 | Confident | 78.5 | Confident | 82 Ų | 82 | 95 Ų | 95 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 149 | 177.6 | -177.1 | 28.3 | 0 | 0 | 0 | 110.4 | P50 L54 E55 L56 | P50-D52 PolarHBondContact O-N 2.98Å; D52-L54 PolarHBondContact O-N 3.13Å; D52-L54 WeakPolarHBondContact OD2-CB 3.34Å; D52-E55 HydrophobicContact CB-CB 4.24Å; D52-E55 HydrophobicContact CB-CG 4.04Å; D52-E55 PolarHBondContact O-N 3.5Å; D52-E55 VanDerWaalsContact O-N 3.16Å; D52-L56 WeakPolarHBondContact O-CB 3.46Å; D52-L56 PolarHBondContact O-N 2.8Å |
| 53 | R | 79 | Confident | 76.5 | Confident | 204 Ų | 204 | 98.7 Ų | 98.7 | 77% | 0.77 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.1 | -34.3 | 177.8 | -174.6 | 174.2 | 178.6 | 153 | -1.3 | 111.2 | L56 T57 | R53-L56 WeakPolarHBondContact O-CB 3.45Å; R53-L56 PolarHBondContact O-N 3.06Å; R53-T57 WeakPolarHBondContact O-CG2 3.36Å; R53-T57 PolarHBondContact O-N 3.43Å; R53-T57 PolarHBondContact O-OG1 3.26Å |
| 54 | L | 80 | Confident | 74.4 | Confident | 115 Ų | 115 | 101.8 Ų | 101.8 | 60% | 0.602 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71.9 | -39.4 | 177.4 | -61 | 172.9 | 0 | 0 | 0 | 111.9 | D52 L56 T57 N58 | D52-L54 PolarHBondContact O-N 3.13Å; D52-L54 WeakPolarHBondContact OD2-CB 3.34Å; L54-L56 VanDerWaalsContact C-N 3.3Å; L54-T57 WeakPolarHBondContact CA-OG1 3.48Å; L54-T57 PolarHBondContact O-N 3.16Å; L54-T57 PolarHBondContact O-OG1 2.84Å; L54-N58 WeakPolarHBondContact O-CB 3.47Å; L54-N58 PolarHBondContact O-N 3.24Å |
| 55 | E | 77.7 | Confident | 72.6 | Confident | 108 Ų | 108 | 100.3 Ų | 100.3 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 171.5 | -69.2 | -178.5 | 172.6 | 0 | 0 | 111.1 | L51 D52 N58 T59 | L51-E55 HydrophobicContact CD1-CB 3.76Å; L51-E55 WeakPolarHBondContact CD1-OE2 3.47Å; L51-E55 HydrophobicContact CG-CB 4.36Å; D52-E55 HydrophobicContact CB-CB 4.24Å; D52-E55 HydrophobicContact CB-CG 4.04Å; D52-E55 PolarHBondContact O-N 3.5Å; D52-E55 VanDerWaalsContact O-N 3.16Å; E55-N58 PolarHBondContact O-N 3.5Å; E55-T59 WeakPolarHBondContact O-CB 3.29Å; E55-T59 WeakPolarHBondContact O-CG2 2.98Å; E55-T59 PolarHBondContact O-N 2.86Å; E55-T59 PolarHBondContact O-OG1 3.27Å |
| 56 | L | 75.3 | Confident | 70.7 | Confident | 87 Ų | 87 | 110.1 Ų | 110.1 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.7 | -46.6 | 173 | -174.3 | 68.5 | 0 | 0 | 0 | 110.6 | L51 D52 R53 L54 N58 T59 V60 | L51-L56 HydrophobicContact CD2-CB 4.03Å; L51-L56 HydrophobicContact CD2-CD1 3.66Å; L51-L56 HydrophobicContact CD2-CG 4.43Å; L51-L56 HydrophobicContact CG-CB 4.38Å; D52-L56 WeakPolarHBondContact O-CB 3.46Å; D52-L56 PolarHBondContact O-N 2.8Å; R53-L56 WeakPolarHBondContact O-CB 3.45Å; R53-L56 PolarHBondContact O-N 3.06Å; L54-L56 VanDerWaalsContact C-N 3.3Å; L56-N58 PolarHBondContact O-N 2.81Å; L56-T59 WeakPolarHBondContact CA-OG1 3.35Å; L56-T59 CarbonylContact O-C 3.56Å; L56-T59 PolarHBondContact O-N 2.81Å; L56-T59 PolarHBondContact O-OG1 2.92Å; L56-V60 HydrophobicContact CG-CG2 4.32Å; L56-V60 WeakPolarHBondContact O-CB 3.45Å; L56-V60 WeakPolarHBondContact O-CG2 3.25Å; L56-V60 PolarHBondContact O-N 2.93Å |
| 57 | T | 70.1 | Confident | 69.2 | Low | 75 Ų | 75 | 115.2 Ų | 115.2 | 46% | 0.46 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.8 | -34.9 | 178.7 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | R53 L54 V60 | R53-T57 WeakPolarHBondContact O-CG2 3.36Å; R53-T57 PolarHBondContact O-N 3.43Å; R53-T57 PolarHBondContact O-OG1 3.26Å; L54-T57 WeakPolarHBondContact CA-OG1 3.48Å; L54-T57 PolarHBondContact O-N 3.16Å; L54-T57 PolarHBondContact O-OG1 2.84Å; T57-V60 WeakPolarHBondContact O-CB 3.34Å; T57-V60 PolarHBondContact O-N 3.43Å |
| 58 | N | 69 | Low | 67.6 | Low | 135 Ų | 135 | 112.7 Ų | 112.7 | 72% | 0.722 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.7 | -35.1 | 176.4 | -72.6 | -9.7 | 0 | 0 | 0 | 111.5 | L54 E55 L56 V60 | L54-N58 WeakPolarHBondContact O-CB 3.47Å; L54-N58 PolarHBondContact O-N 3.24Å; E55-N58 PolarHBondContact O-N 3.5Å; L56-N58 PolarHBondContact O-N 2.81Å; N58-V60 VanDerWaalsContact C-N 3.35Å |
| 59 | T | 58.9 | Low | 65.7 | Low | 75 Ų | 75 | 110.9 Ų | 110.9 | 46% | 0.46 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -78.9 | -15.9 | 172.3 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | E55 L56 G61 Q62 | E55-T59 WeakPolarHBondContact O-CB 3.29Å; E55-T59 WeakPolarHBondContact O-CG2 2.98Å; E55-T59 PolarHBondContact O-N 2.86Å; E55-T59 PolarHBondContact O-OG1 3.27Å; L56-T59 WeakPolarHBondContact CA-OG1 3.35Å; L56-T59 CarbonylContact O-C 3.56Å; L56-T59 PolarHBondContact O-N 2.81Å; L56-T59 PolarHBondContact O-OG1 2.92Å; T59-G61 PolarHBondContact O-N 2.88Å; T59-Q62 CarbonylContact O-C 3.21Å; T59-Q62 WeakPolarHBondContact O-CA 2.99Å; T59-Q62 VanDerWaalsContact O-CB 3.25Å; T59-Q62 WeakPolarHBondContact O-CB 3.19Å; T59-Q62 PolarHBondContact O-N 3.3Å; T59-Q62 VanDerWaalsContact O-O 3.11Å |
| 60 | V | 52.2 | Low | 64 | Low | 53 Ų | 53 | 104.7 Ų | 104.7 | 32% | 0.321 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -70.3 | -5.3 | 171.4 | 163.9 | 0 | 0 | 0 | 0 | 112.3 | L56 T57 N58 Q62 R63 | L56-V60 HydrophobicContact CG-CG2 4.32Å; L56-V60 WeakPolarHBondContact O-CB 3.45Å; L56-V60 WeakPolarHBondContact O-CG2 3.25Å; L56-V60 PolarHBondContact O-N 2.93Å; T57-V60 WeakPolarHBondContact O-CB 3.34Å; T57-V60 PolarHBondContact O-N 3.43Å; N58-V60 VanDerWaalsContact C-N 3.35Å; V60-Q62 PolarHBondContact O-N 2.93Å; V60-R63 HydrophobicContact CG1-CG 3.94Å; V60-R63 WeakPolarHBondContact O-CG 3.18Å |
| 61 | G | 53.5 | Low | 62.5 | Low | 55 Ų | 55 | 102 Ų | 102 | 57% | 0.567 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -64 | -15.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T59 | T59-G61 PolarHBondContact O-N 2.88Š|
| 62 | Q | 51.9 | Low | 61.1 | Low | 159 Ų | 159 | 100.3 Ų | 100.3 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -121.2 | 67.1 | 174.1 | -60.7 | -77.2 | -78.1 | 0 | 0 | 108.2 | T59 V60 S64 | T59-Q62 CarbonylContact O-C 3.21Å; T59-Q62 WeakPolarHBondContact O-CA 2.99Å; T59-Q62 VanDerWaalsContact O-CB 3.25Å; T59-Q62 WeakPolarHBondContact O-CB 3.19Å; T59-Q62 PolarHBondContact O-N 3.3Å; T59-Q62 VanDerWaalsContact O-O 3.11Å; V60-Q62 PolarHBondContact O-N 2.93Å; Q62-S64 PolarHBondContact O-N 3.23Å |
| 63 | R | 50.8 | Low | 59.5 | Low | 146 Ų | 146 | 101.9 Ų | 101.9 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | trans | -65.7 | 90.6 | -180 | -62.5 | -162.9 | 173.2 | -153.9 | -2.7 | 111.9 | V60 S65 | V60-R63 HydrophobicContact CG1-CG 3.94Å; V60-R63 WeakPolarHBondContact O-CG 3.18Å; R63-S65 PolarHBondContact O-N 3.31Å | ||
| 64 | S | 51.3 | Low | 57.9 | Low | 86 Ų | 86 | 96.6 Ų | 96.6 | 60% | 0.601 | 53% | 0.526 | S | S | * | . | trans | -90.6 | 83.1 | 164.3 | -68.2 | 0 | 0 | 0 | 0 | 109.7 | Q62 W66 | Q62-S64 PolarHBondContact O-N 3.23Å; S64-W66 PolarHBondContact O-N 3.29Å | ||
| 65 | S | 58.5 | Low | 56.1 | Low | 28 Ų | 28 | 95.3 Ų | 95.3 | 20% | 0.196 | 52% | 0.52 | C | S | . | . | trans | -83.1 | 102.3 | 167.4 | 160.8 | 0 | 0 | 0 | 0 | 109 | R63 N67 Y68 I71 | R63-S65 PolarHBondContact O-N 3.31Å; S65-N67 PolarHBondContact O-N 3.33Å; S65-Y68 WeakPolarHBondContact O-CD2 3.32Å; S65-Y68 WeakPolarHBondContact O-CE2 3.1Å; S65-I71 WeakPolarHBondContact OG-CD1 3.42Å | ||
| 66 | W | 53 | Low | 54.6 | Low | 231 Ų | 231 | 98.4 Ų | 98.4 | 88% | 0.875 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.6 | 175.6 | -65.9 | 98.5 | 0 | 0 | 0 | 113.7 | S64 | S64-W66 PolarHBondContact O-N 3.29Š|
| 67 | N | 60.1 | Low | 52.9 | Low | 119 Ų | 119 | 96.9 Ų | 96.9 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 59.9 | -177.5 | -70.9 | -27.2 | 0 | 0 | 0 | 112.5 | S65 S69 A70 I71 | S65-N67 PolarHBondContact O-N 3.33Å; N67-S69 PolarHBondContact O-N 3.24Å; N67-S69 VanDerWaalsContact O-N 3.16Å; N67-A70 HydrophobicContact CB-CB 4.26Å; N67-A70 PolarHBondContact O-N 3.4Å; N67-I71 PolarHBondContact O-N 3.18Å |
| 68 | Y | 54.3 | Low | 51.6 | Low | 68 Ų | 68 | 98.1 Ų | 98.1 | 27% | 0.267 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -49.9 | -42.1 | 179.1 | -67.7 | -78.4 | 0 | 0 | 0 | 112.8 | S65 A70 L72 L137 | S65-Y68 WeakPolarHBondContact O-CD2 3.32Å; S65-Y68 WeakPolarHBondContact O-CE2 3.1Å; Y68-A70 PolarHBondContact O-N 3.43Å; Y68-L72 WeakPolarHBondContact O-CD1 2.97Å; Y68-L72 PolarHBondContact O-N 3.16Å; Y68-L137 HydrophobicContact CD2-CD2 4.5Å; Y68-L137 HydrophobicContact CE2-CD2 4.15Å |
| 69 | S | 50.2 | Low | 49.9 | Very low | 86 Ų | 86 | 101.2 Ų | 101.2 | 60% | 0.601 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68 | -31.1 | -175.7 | -47.5 | 0 | 0 | 0 | 0 | 114.2 | N67 L72 S73 | N67-S69 PolarHBondContact O-N 3.24Å; N67-S69 VanDerWaalsContact O-N 3.16Å; S69-L72 VanDerWaalsContact O-CB 3.29Å; S69-L72 WeakPolarHBondContact O-CB 3.16Å; S69-S73 PolarHBondContact O-N 3.41Å; S69-S73 PolarHBondContact O-OG 3.09Å |
| 70 | A | 48.9 | Very low | 49 | Very low | 60 Ų | 60 | 103.3 Ų | 103.3 | 50% | 0.496 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -77.7 | -39.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N67 Y68 L72 S73 N74 | N67-A70 HydrophobicContact CB-CB 4.26Å; N67-A70 PolarHBondContact O-N 3.4Å; Y68-A70 PolarHBondContact O-N 3.43Å; A70-L72 PolarHBondContact O-N 3.19Å; A70-S73 PolarHBondContact O-N 3.4Å; A70-N74 PolarHBondContact O-N 3.31Å |
| 71 | I | 53.3 | Low | 47.9 | Very low | 67 Ų | 67 | 109.1 Ų | 109.1 | 34% | 0.344 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -57.9 | -39.6 | 172 | -60.2 | -169.4 | 0 | 0 | 0 | 110 | S65 N67 N74 N75 L78 | S65-I71 WeakPolarHBondContact OG-CD1 3.42Å; N67-I71 PolarHBondContact O-N 3.18Å; I71-N74 PolarHBondContact O-N 2.8Å; I71-N75 PolarHBondContact O-N 2.93Å; I71-N75 PolarHBondContact O-ND2 2.78Å; I71-N75 PolarHBondContact O-OD1 2.7Å; I71-N75 VanDerWaalsContact O-OD1 3.09Å; I71-L78 HydrophobicContact CG2-CD1 3.83Å |
| 72 | L | 51.3 | Low | 47.2 | Very low | 68 Ų | 68 | 112.8 Ų | 112.8 | 36% | 0.356 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.9 | -46.7 | 178.2 | -109.4 | 76.5 | 0 | 0 | 0 | 114.5 | Y68 S69 A70 N74 R104 | Y68-L72 WeakPolarHBondContact O-CD1 2.97Å; Y68-L72 PolarHBondContact O-N 3.16Å; S69-L72 VanDerWaalsContact O-CB 3.29Å; S69-L72 WeakPolarHBondContact O-CB 3.16Å; A70-L72 PolarHBondContact O-N 3.19Å; L72-N74 VanDerWaalsContact C-N 3.29Å; L72-N74 PolarHBondContact O-N 3.27Å; L72-R104 HydrophobicContact CD2-CG 3.79Å; L72-R104 HydrophobicContact CG-CG 4.46Å |
| 73 | S | 51 | Low | 46.2 | Very low | 114 Ų | 114 | 108.1 Ų | 108.1 | 80% | 0.797 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.8 | -26.4 | -174.7 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | S69 A70 | S69-S73 PolarHBondContact O-N 3.41Å; S69-S73 PolarHBondContact O-OG 3.09Å; A70-S73 PolarHBondContact O-N 3.4Å |
| 74 | N | 43.8 | Very low | 45.3 | Very low | 93 Ų | 93 | 109.5 Ų | 109.5 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.5 | 14.8 | -175.5 | -161.3 | 55.8 | 0 | 0 | 0 | 114.2 | A70 I71 L72 N76 S77 | A70-N74 PolarHBondContact O-N 3.31Å; I71-N74 PolarHBondContact O-N 2.8Å; L72-N74 VanDerWaalsContact C-N 3.29Å; L72-N74 PolarHBondContact O-N 3.27Å; N74-N76 PolarHBondContact O-N 3.23Å; N74-S77 PolarHBondContact ND2-OG 3.23Å; N74-S77 PolarHBondContact O-N 3.31Å |
| 75 | N | 43 | Very low | 44.3 | Very low | 88 Ų | 88 | 112 Ų | 112 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.5 | 30.4 | 178.1 | -83 | -23.4 | 0 | 0 | 0 | 114.8 | I71 L78 | I71-N75 PolarHBondContact O-N 2.93Å; I71-N75 PolarHBondContact O-ND2 2.78Å; I71-N75 PolarHBondContact O-OD1 2.7Å; I71-N75 VanDerWaalsContact O-OD1 3.09Å; N75-L78 WeakPolarHBondContact OD1-CD1 3.5Å |
| 76 | N | 45.5 | Very low | 43.3 | Very low | 174 Ų | 174 | 116.6 Ų | 116.6 | 93% | 0.93 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -5.1 | 150 | -80.5 | -4.7 | 0 | 0 | 0 | 112.8 | N74 | N74-N76 PolarHBondContact O-N 3.23Š|
| 77 | S | 41.1 | Very low | 42.2 | Very low | 55 Ų | 55 | 111 Ų | 111 | 39% | 0.385 | 63% | 0.632 | S | S | . | * | trans | -143.2 | 30.5 | -175.9 | 91.6 | 0 | 0 | 0 | 0 | 117.1 | N74 F79 | N74-S77 PolarHBondContact ND2-OG 3.23Å; N74-S77 PolarHBondContact O-N 3.31Å; S77-F79 VanDerWaalsContact C-N 3.34Å; S77-F79 PolarHBondContact O-N 3.45Å | ||
| 78 | L | 41.1 | Very low | 41.6 | Very low | 100 Ų | 100 | 109.9 Ų | 109.9 | 52% | 0.524 | 63% | 0.625 | S | S | . | * | trans | -75.9 | 95.8 | 159 | -76 | -179.3 | 0 | 0 | 0 | 109 | I71 N75 L80 | I71-L78 HydrophobicContact CG2-CD1 3.83Å; N75-L78 WeakPolarHBondContact OD1-CD1 3.5Å; L78-L80 PolarHBondContact O-N 3.36Å | ||
| 79 | F | 33.6 | Very low | 40.9 | Very low | 200 Ų | 200 | 110.8 Ų | 110.8 | 88% | 0.877 | 64% | 0.64 | S | S | * | * | trans | -57 | 81.5 | 158.5 | -80 | -97.7 | 0 | 0 | 0 | 109.5 | S77 | S77-F79 VanDerWaalsContact C-N 3.34Å; S77-F79 PolarHBondContact O-N 3.45Å | ||
| 80 | L | 39.5 | Very low | 40.5 | Very low | 119 Ų | 119 | 110.4 Ų | 110.4 | 62% | 0.623 | 63% | 0.629 | S | S | * | * | trans | -101 | 117.9 | 146.2 | -75.3 | 156.4 | 0 | 0 | 0 | 104 | L78 | L78-L80 PolarHBondContact O-N 3.36Š| ||
| 81 | E | 30.1 | Very low | 40.4 | Very low | 176 Ų | 176 | 115.4 Ų | 115.4 | 82% | 0.822 | 64% | 0.64 | S | S | * | * | trans | -15.7 | 126.5 | 178.1 | -71.5 | -76.6 | 114.2 | 0 | 0 | 115.2 | G83 | E81-G83 VanDerWaalsContact C-N 3.34Å; E81-G83 PolarHBondContact O-N 2.87Å | ||
| 82 | P | 39.1 | Very low | 40.2 | Very low | 132 Ų | 132 | 115 Ų | 115 | 86% | 0.857 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -73.6 | 88.8 | -175.3 | 31.6 | -32.6 | 0 | 0 | 0 | 109.3 | ||
| 83 | G | 30.5 | Very low | 40.5 | Very low | 60 Ų | 60 | 112 Ų | 112 | 62% | 0.619 | 63% | 0.627 | S | S | * | * | trans | -174 | 47.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E81 | E81-G83 VanDerWaalsContact C-N 3.34Å; E81-G83 PolarHBondContact O-N 2.87Å | ||
| 84 | M | 31.1 | Very low | 40.9 | Very low | 176 Ų | 176 | 112.3 Ų | 112.3 | 87% | 0.867 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -169.9 | 94.4 | 147.2 | -102.7 | 162.2 | 168 | 0 | 0 | 111.1 | ||
| 85 | N | 30.6 | Very low | 42 | Very low | 137 Ų | 137 | 109.5 Ų | 109.5 | 73% | 0.733 | 61% | 0.61 | S | S | * | * | trans | 24.6 | 118 | 141.4 | 42.4 | -4.8 | 0 | 0 | 0 | 119.2 | T87 | N85-T87 PolarHBondContact O-N 3.35Š| ||
| 86 | S | 37.9 | Very low | 43.2 | Very low | 125 Ų | 125 | 106.1 Ų | 106.1 | 87% | 0.874 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -39.6 | 103.5 | 159.4 | -54 | 0 | 0 | 0 | 0 | 112.5 | ||
| 87 | T | 30.6 | Very low | 44.2 | Very low | 114 Ų | 114 | 100.7 Ų | 100.7 | 70% | 0.699 | 56% | 0.562 | S | S | * | * | trans | 177.4 | 100.8 | 148.9 | -65.1 | 0 | 0 | 0 | 0 | 101.1 | N85 P89 | N85-T87 PolarHBondContact O-N 3.35Å; T87-P89 VanDerWaalsContact C-N 3.32Å; T87-P89 WeakPolarHBondContact O-CD 3.42Å; T87-P89 WeakPolarHBondContact O-CG 3.43Å | ||
| 88 | I | 47 | Very low | 45.6 | Very low | 95 Ų | 95 | 102.6 Ų | 102.6 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | trans | -64.6 | 103.6 | 166 | -61.7 | 169.5 | 0 | 0 | 0 | 103.3 | M90 | I88-M90 PolarHBondContact O-N 3.22Š| ||
| 89 | P | 39.8 | Very low | 47.3 | Very low | 88 Ų | 88 | 97.8 Ų | 97.8 | 57% | 0.571 | 54% | 0.54 | S | S | * | . | trans | -65.9 | 135.6 | 178.9 | -9.4 | 28.7 | 0 | 0 | 0 | 104.9 | T87 K91 | T87-P89 VanDerWaalsContact C-N 3.32Å; T87-P89 WeakPolarHBondContact O-CD 3.42Å; T87-P89 WeakPolarHBondContact O-CG 3.43Å; P89-K91 PolarHBondContact O-N 3.01Å | ||
| 90 | M | 41.5 | Very low | 49.2 | Very low | 78 Ų | 78 | 88.9 Ų | 88.9 | 38% | 0.384 | 50% | 0.502 | S | S | . | . | trans | -65.7 | 57.2 | 170.1 | -61.9 | -172.8 | 98.5 | 0 | 0 | 110.4 | I88 E119 L120 N123 | I88-M90 PolarHBondContact O-N 3.22Å; M90-E119 HydrophobicContact CE-CB 3.9Å; M90-E119 HydrophobicContact CE-CG 3.6Å; M90-E119 VanDerWaalsContact SD-CD 3.59Å; M90-E119 HydrophobicContact SD-CG 4.08Å; M90-L120 HydrophobicContact CE-CB 4.34Å; M90-N123 PolarHBondContact O-ND2 3.16Å | ||
| 91 | K | 46.4 | Very low | 50.8 | Low | 164 Ų | 164 | 87.4 Ų | 87.4 | 71% | 0.713 | 50% | 0.498 | S | S | * | . | trans | -85.2 | 132.6 | 175.9 | -173.1 | 169.9 | -178.3 | -179.7 | 0 | 107.4 | P89 I93 | P89-K91 PolarHBondContact O-N 3.01Å; K91-I93 PolarHBondContact O-N 3.42Å; K91-I93 VanDerWaalsContact O-N 3.11Å | ||
| 92 | S | 48.9 | Very low | 52.9 | Low | 59 Ų | 59 | 81 Ų | 81 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | trans | -40.4 | 115.8 | 178 | -49.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 93 | I | 58.5 | Low | 54.7 | Low | 5 Ų | 5 | 74.9 Ų | 74.9 | 3% | 0.026 | 43% | 0.428 | C | S | . | . | trans | -74.7 | 136.8 | -176.5 | -55.9 | 175.8 | 0 | 0 | 0 | 107.6 | K91 T95 E98 F99 Q102 L120 Q124 | K91-I93 PolarHBondContact O-N 3.42Å; K91-I93 VanDerWaalsContact O-N 3.11Å; I93-T95 VanDerWaalsContact CG2-O 3.28Å; I93-T95 WeakPolarHBondContact CG2-O 2.91Å; I93-E98 HydrophobicContact CG2-CB 3.27Å; I93-E98 HydrophobicContact CG2-CG 4.38Å; I93-E98 WeakPolarHBondContact CG2-OE2 2.99Å; I93-F99 HydrophobicContact CD1-CB 3.96Å; I93-F99 HydrophobicContact CD1-CD2 4.14Å; I93-F99 HydrophobicContact CD1-CG 4.46Å; I93-F99 HydrophobicContact CG2-CB 4.21Å; I93-Q102 HydrophobicContact CD1-CB 4.21Å; I93-Q102 HydrophobicContact CD1-CG 4.11Å; I93-L120 HydrophobicContact CD1-CD2 4.44Å; I93-Q124 VanDerWaalsContact CB-OE1 3.3Å | ||
| 94 | T | 59.7 | Low | 56.8 | Low | 120 Ų | 120 | 75.8 Ų | 75.8 | 74% | 0.736 | 41% | 0.413 | S | S | * | . | trans | -93.7 | -24.5 | -177.3 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | E98 | T94-E98 PolarHBondContact N-OE2 3.38Š| ||
| 95 | T | 67.2 | Low | 58.7 | Low | 34 Ų | 34 | 72.1 Ų | 72.1 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -121.4 | 141.6 | -176 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | I93 Q97 E98 F99 | I93-T95 VanDerWaalsContact CG2-O 3.28Å; I93-T95 WeakPolarHBondContact CG2-O 2.91Å; T95-Q97 PolarHBondContact O-N 3.4Å; T95-Q97 VanDerWaalsContact O-N 3.16Å; T95-E98 PolarHBondContact N-OE2 2.97Å; T95-E98 PolarHBondContact O-N 3.02Å; T95-E98 WeakPolarHBondContact OG1-CB 3.02Å; T95-E98 WeakPolarHBondContact OG1-CG 3.15Å; T95-E98 PolarHBondContact OG1-N 3.42Å; T95-E98 PolarHBondContact OG1-OE2 3.25Å; T95-F99 PolarHBondContact O-N 3.32Å |
| 96 | P | 67.6 | Low | 60.7 | Low | 18 Ų | 18 | 67 Ų | 67 | 12% | 0.117 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -54.1 | -32.4 | 173.9 | -29.2 | 36.4 | 0 | 0 | 0 | 114.2 | F99 V100 N131 T135 | P96-F99 WeakPolarHBondContact O-CB 3.48Å; P96-F99 PolarHBondContact O-N 2.96Å; P96-V100 WeakPolarHBondContact O-CG2 3.42Å; P96-V100 PolarHBondContact O-N 3.2Å; P96-V100 VanDerWaalsContact O-N 3.17Å; P96-N131 HydrophobicContact CG-CB 4.05Å; P96-T135 HydrophobicContact CB-CG2 3.59Å; P96-T135 HydrophobicContact CG-CG2 3.88Å |
| 97 | Q | 66 | Low | 62.4 | Low | 59 Ų | 59 | 65.8 Ų | 65.8 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.6 | -43.1 | -178.8 | -67.2 | 81.2 | -6.4 | 0 | 0 | 112 | T95 F99 V100 V101 | T95-Q97 PolarHBondContact O-N 3.4Å; T95-Q97 VanDerWaalsContact O-N 3.16Å; Q97-F99 PolarHBondContact O-N 3.21Å; Q97-V100 PolarHBondContact O-N 2.97Å; Q97-V101 WeakPolarHBondContact O-CG2 3.24Å; Q97-V101 PolarHBondContact O-N 3.32Å; Q97-V101 VanDerWaalsContact O-N 3.13Å |
| 98 | E | 71.8 | Confident | 64.4 | Low | 95 Ų | 95 | 65.2 Ų | 65.2 | 44% | 0.444 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 174.2 | -76.4 | 166.3 | 159.6 | 0 | 0 | 111.4 | I93 T94 T95 V101 Q102 | I93-E98 HydrophobicContact CG2-CB 3.27Å; I93-E98 HydrophobicContact CG2-CG 4.38Å; I93-E98 WeakPolarHBondContact CG2-OE2 2.99Å; T94-E98 PolarHBondContact N-OE2 3.38Å; T95-E98 PolarHBondContact N-OE2 2.97Å; T95-E98 PolarHBondContact O-N 3.02Å; T95-E98 WeakPolarHBondContact OG1-CB 3.02Å; T95-E98 WeakPolarHBondContact OG1-CG 3.15Å; T95-E98 PolarHBondContact OG1-N 3.42Å; T95-E98 PolarHBondContact OG1-OE2 3.25Å; E98-V101 PolarHBondContact O-N 3.45Å; E98-Q102 WeakPolarHBondContact O-CG 3.5Å; E98-Q102 PolarHBondContact O-N 2.85Å |
| 99 | F | 75.5 | Confident | 65.5 | Low | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 177.2 | 173.5 | -81 | 0 | 0 | 0 | 111.4 | I93 T95 P96 Q97 V101 Q102 W103 L120 L121 Q124 L129 L132 F141 | I93-F99 HydrophobicContact CD1-CB 3.96Å; I93-F99 HydrophobicContact CD1-CD2 4.14Å; I93-F99 HydrophobicContact CD1-CG 4.46Å; I93-F99 HydrophobicContact CG2-CB 4.21Å; T95-F99 PolarHBondContact O-N 3.32Å; P96-F99 WeakPolarHBondContact O-CB 3.48Å; P96-F99 PolarHBondContact O-N 2.96Å; Q97-F99 PolarHBondContact O-N 3.21Å; F99-V101 VanDerWaalsContact C-N 3.28Å; F99-V101 PolarHBondContact O-N 3.19Å; F99-Q102 PolarHBondContact O-N 2.95Å; F99-W103 HydrophobicContact CE1-CE3 4.36Å; F99-W103 HydrophobicContact CZ-CE3 4.04Å; F99-W103 WeakPolarHBondContact O-CB 3.4Å; F99-W103 PolarHBondContact O-N 3.37Å; F99-L120 HydrophobicContact CD2-CD2 3.35Å; F99-L120 HydrophobicContact CE2-CD2 3.05Å; F99-L120 HydrophobicContact CG-CD2 4.35Å; F99-L120 HydrophobicContact CZ-CD2 3.87Å; F99-L121 HydrophobicContact CE2-CD2 4.2Å; F99-L121 HydrophobicContact CZ-CD2 3.73Å; F99-Q124 HydrophobicContact CD2-CG 3.6Å; F99-Q124 HydrophobicContact CE2-CG 3.55Å; F99-L129 HydrophobicContact CE2-CD2 4.42Å; F99-L132 HydrophobicContact CB-CD1 4.39Å; F99-L132 HydrophobicContact CD1-CD1 3.19Å; F99-L132 HydrophobicContact CE1-CD1 3.44Å; F99-L132 VanDerWaalsContact CE1-CD1 3.44Å; F99-L132 HydrophobicContact CE1-CD2 4.37Å; F99-L132 HydrophobicContact CG-CD1 3.89Å; F99-L132 HydrophobicContact CZ-CD1 4.33Å; F99-F141 HydrophobicContact CD1-CE1 4.46Å; F99-F141 HydrophobicContact CD1-CZ 4.21Å; F99-F141 AromaticContact CE1-CE1 3.47Å; F99-F141 HydrophobicContact CE1-CE1 3.47Å; F99-F141 VanDerWaalsContact CE1-CE1 3.47Å; F99-F141 HydrophobicContact CE1-CE2 4.46Å; F99-F141 AromaticContact CE1-CZ 3.37Å; F99-F141 HydrophobicContact CE1-CZ 3.37Å; F99-F141 HydrophobicContact CZ-CE1 4.19Å; F99-F141 HydrophobicContact CZ-CZ 4.16Å |
| 100 | V | 73.9 | Confident | 66.2 | Low | 12 Ų | 12 | 63.5 Ų | 63.5 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 177.8 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | P96 Q97 R104 L137 | P96-V100 WeakPolarHBondContact O-CG2 3.42Å; P96-V100 PolarHBondContact O-N 3.2Å; P96-V100 VanDerWaalsContact O-N 3.17Å; Q97-V100 PolarHBondContact O-N 2.97Å; V100-R104 VanDerWaalsContact O-CB 3.24Å; V100-R104 WeakPolarHBondContact O-CB 3.47Å; V100-R104 PolarHBondContact O-N 3.33Å; V100-L137 HydrophobicContact CB-CD1 4.42Å; V100-L137 HydrophobicContact CG1-CD1 4.46Å; V100-L137 HydrophobicContact CG2-CD1 3.98Å |
| 101 | V | 73.5 | Confident | 67 | Low | 88 Ų | 88 | 65.2 Ų | 65.2 | 53% | 0.533 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.8 | -48.2 | 175 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | Q97 E98 F99 R104 H105 | Q97-V101 WeakPolarHBondContact O-CG2 3.24Å; Q97-V101 PolarHBondContact O-N 3.32Å; Q97-V101 VanDerWaalsContact O-N 3.13Å; E98-V101 PolarHBondContact O-N 3.45Å; F99-V101 VanDerWaalsContact C-N 3.28Å; F99-V101 PolarHBondContact O-N 3.19Å; V101-R104 PolarHBondContact O-N 3.13Å; V101-H105 WeakPolarHBondContact O-CB 3.11Å; V101-H105 PolarHBondContact O-N 3.32Å |
| 102 | Q | 73.7 | Confident | 67.6 | Low | 41 Ų | 41 | 62.7 Ų | 62.7 | 19% | 0.192 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 179.9 | -72 | -169.9 | 20.5 | 0 | 0 | 112.6 | I93 E98 F99 R104 H105 I106 L120 | I93-Q102 HydrophobicContact CD1-CB 4.21Å; I93-Q102 HydrophobicContact CD1-CG 4.11Å; E98-Q102 WeakPolarHBondContact O-CG 3.5Å; E98-Q102 PolarHBondContact O-N 2.85Å; F99-Q102 PolarHBondContact O-N 2.95Å; Q102-R104 VanDerWaalsContact C-N 3.27Å; Q102-R104 PolarHBondContact O-N 3.23Å; Q102-H105 WeakPolarHBondContact O-CB 3.38Å; Q102-H105 PolarHBondContact O-N 3.17Å; Q102-I106 WeakPolarHBondContact O-CG1 3.37Å; Q102-I106 PolarHBondContact O-N 3.37Å; Q102-L120 HydrophobicContact CB-CD1 3.74Å |
| 103 | W | 77.7 | Confident | 68.5 | Low | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.015 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -52.3 | -49.3 | 176 | 178.4 | -84.4 | 0 | 0 | 0 | 111.4 | F99 I106 K107 L117 L121 F141 E144 I145 V148 | F99-W103 HydrophobicContact CE1-CE3 4.36Å; F99-W103 HydrophobicContact CZ-CE3 4.04Å; F99-W103 WeakPolarHBondContact O-CB 3.4Å; F99-W103 PolarHBondContact O-N 3.37Å; W103-I106 PolarHBondContact O-N 2.95Å; W103-K107 PolarHBondContact O-N 3.31Å; W103-L117 HydrophobicContact CB-CD2 4.47Å; W103-L117 HydrophobicContact CD2-CD2 3.52Å; W103-L117 HydrophobicContact CD2-CG 4.44Å; W103-L117 HydrophobicContact CE3-CB 4.23Å; W103-L117 HydrophobicContact CE3-CD2 3.61Å; W103-L117 HydrophobicContact CE3-CG 4.38Å; W103-L117 HydrophobicContact CG-CD2 3.9Å; W103-L117 HydrophobicContact CH2-CB 3.9Å; W103-L117 HydrophobicContact CH2-CD1 4.21Å; W103-L117 HydrophobicContact CH2-CD2 4.39Å; W103-L117 HydrophobicContact CH2-CG 4.37Å; W103-L117 HydrophobicContact CZ2-CB 4.45Å; W103-L117 HydrophobicContact CZ2-CD1 3.93Å; W103-L117 HydrophobicContact CZ2-CD2 4.36Å; W103-L117 HydrophobicContact CZ2-CG 4.46Å; W103-L117 HydrophobicContact CZ3-CB 3.75Å; W103-L117 HydrophobicContact CZ3-CD2 4.02Å; W103-L117 HydrophobicContact CZ3-CG 4.31Å; W103-L117 WeakPolarHBondContact O-CD2 3.46Å; W103-L121 HydrophobicContact CH2-CD1 3.96Å; W103-L121 HydrophobicContact CH2-CG 4.48Å; W103-L121 HydrophobicContact CZ3-CD1 3.69Å; W103-L121 HydrophobicContact CZ3-CD2 4.12Å; W103-L121 HydrophobicContact CZ3-CG 3.73Å; W103-F141 HydrophobicContact CB-CE2 3.94Å; W103-F141 HydrophobicContact CB-CZ 3.94Å; W103-F141 AromaticContact CD1-CE2 3.23Å; W103-F141 AromaticContact CD1-CZ 3.72Å; W103-F141 HydrophobicContact CD2-CE1 4.32Å; W103-F141 AromaticContact CD2-CE2 3.64Å; W103-F141 HydrophobicContact CD2-CE2 3.64Å; W103-F141 AromaticContact CD2-CZ 3.22Å; W103-F141 HydrophobicContact CD2-CZ 3.22Å; W103-F141 AromaticContact CE2-CE2 3.7Å; W103-F141 AromaticContact CE2-CZ 3.51Å; W103-F141 AromaticContact CE3-CZ 3.7Å; W103-F141 HydrophobicContact CE3-CZ 3.7Å; W103-F141 AromaticContact CG-CE2 3.33Å; W103-F141 HydrophobicContact CG-CE2 3.33Å; W103-F141 AromaticContact CG-CZ 3.37Å; W103-F141 HydrophobicContact CG-CZ 3.37Å; W103-F141 HydrophobicContact CZ2-CZ 4.17Å; W103-F141 HydrophobicContact CZ3-CZ 4.36Å; W103-F141 AromaticContact NE1-CE2 3.4Å; W103-F141 AromaticContact NE1-CZ 3.74Å; W103-E144 HydrophobicContact CZ2-CB 4.26Å; W103-E144 PolarHBondContact NE1-OE2 3.22Å; W103-E144 VanDerWaalsContact NE1-OE2 3.15Å; W103-I145 HydrophobicContact CH2-CG1 4.28Å; W103-I145 HydrophobicContact CZ2-CG1 4.47Å; W103-V148 HydrophobicContact CH2-CB 4.1Å; W103-V148 HydrophobicContact CH2-CG1 4.27Å; W103-V148 HydrophobicContact CH2-CG2 3.82Å; W103-V148 HydrophobicContact CZ2-CG2 3.85Å |
| 104 | R | 72.9 | Confident | 69 | Low | 80 Ų | 80 | 63 Ų | 63 | 30% | 0.302 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.5 | -34 | -177 | -166.7 | 175.6 | -119 | -175.8 | 19.8 | 112.5 | L72 V100 V101 Q102 K107 S108 | L72-R104 HydrophobicContact CD2-CG 3.79Å; L72-R104 HydrophobicContact CG-CG 4.46Å; V100-R104 VanDerWaalsContact O-CB 3.24Å; V100-R104 WeakPolarHBondContact O-CB 3.47Å; V100-R104 PolarHBondContact O-N 3.33Å; V101-R104 PolarHBondContact O-N 3.13Å; Q102-R104 VanDerWaalsContact C-N 3.27Å; Q102-R104 PolarHBondContact O-N 3.23Å; R104-K107 PolarHBondContact O-N 3.25Å; R104-S108 PolarHBondContact O-N 2.91Å; R104-S108 PolarHBondContact O-OG 3.46Å |
| 105 | H | 71.3 | Confident | 69.5 | Low | 99 Ų | 99 | 59.1 Ų | 59.1 | 46% | 0.458 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 171.1 | -179.6 | -89.1 | 0 | 0 | 0 | 111.3 | V101 Q102 K107 S108 S109 | V101-H105 WeakPolarHBondContact O-CB 3.11Å; V101-H105 PolarHBondContact O-N 3.32Å; Q102-H105 WeakPolarHBondContact O-CB 3.38Å; Q102-H105 PolarHBondContact O-N 3.17Å; H105-K107 VanDerWaalsContact C-N 3.3Å; H105-K107 PolarHBondContact O-N 3.4Å; H105-S108 PolarHBondContact O-N 3.34Å; H105-S109 WeakPolarHBondContact O-CB 3.28Å; H105-S109 PolarHBondContact O-N 3.25Å |
| 106 | I | 72.5 | Confident | 69.7 | Low | 30 Ų | 30 | 59 Ų | 59 | 15% | 0.154 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 176.2 | -67.6 | 173.5 | 0 | 0 | 0 | 110.8 | Q102 W103 S108 S109 S110 A116 L117 L120 | Q102-I106 WeakPolarHBondContact O-CG1 3.37Å; Q102-I106 PolarHBondContact O-N 3.37Å; W103-I106 PolarHBondContact O-N 2.95Å; I106-S108 VanDerWaalsContact C-N 3.31Å; I106-S108 PolarHBondContact O-N 2.66Å; I106-S109 PolarHBondContact O-N 2.83Å; I106-S110 PolarHBondContact O-N 2.82Å; I106-A116 HydrophobicContact CD1-CB 4.48Å; I106-A116 HydrophobicContact CG2-CB 3.63Å; I106-L117 HydrophobicContact CB-CD2 3.76Å; I106-L117 HydrophobicContact CD1-CD2 4.46Å; I106-L117 HydrophobicContact CG2-CD2 3.6Å; I106-L117 HydrophobicContact CG2-CG 3.84Å; I106-L120 HydrophobicContact CD1-CB 4.24Å; I106-L120 HydrophobicContact CD1-CD1 3.45Å; I106-L120 VanDerWaalsContact CD1-CD1 3.45Å; I106-L120 HydrophobicContact CD1-CG 4.46Å |
| 107 | K | 74.2 | Confident | 70.2 | Confident | 98 Ų | 98 | 58.3 Ų | 58.3 | 43% | 0.426 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.9 | -38.4 | 176.7 | -170.1 | 178.1 | -176.5 | 174.4 | 0 | 112.9 | W103 R104 H105 E144 | W103-K107 PolarHBondContact O-N 3.31Å; R104-K107 PolarHBondContact O-N 3.25Å; H105-K107 VanDerWaalsContact C-N 3.3Å; H105-K107 PolarHBondContact O-N 3.4Å; K107-E144 IonicContact NZ-OE1 3.66Å; K107-E144 PolarHBondContact NZ-OE1 3.37Å; K107-E144 IonicContact NZ-OE2 3.56Å; K107-E144 PolarHBondContact NZ-OE2 3.16Å |
| 108 | S | 73.2 | Confident | 70.3 | Confident | 102 Ų | 102 | 56.8 Ų | 56.8 | 71% | 0.713 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -79.8 | -25.3 | 177.8 | -63.4 | 0 | 0 | 0 | 0 | 113.9 | R104 H105 I106 | R104-S108 PolarHBondContact O-N 2.91Å; R104-S108 PolarHBondContact O-OG 3.46Å; H105-S108 PolarHBondContact O-N 3.34Å; I106-S108 VanDerWaalsContact C-N 3.31Å; I106-S108 PolarHBondContact O-N 2.66Å |
| 109 | S | 69.3 | Low | 70.5 | Confident | 89 Ų | 89 | 57.6 Ų | 57.6 | 62% | 0.622 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -90.9 | -26.4 | -165.7 | -168.6 | 0 | 0 | 0 | 0 | 114.6 | H105 I106 | H105-S109 WeakPolarHBondContact O-CB 3.28Å; H105-S109 PolarHBondContact O-N 3.25Å; I106-S109 PolarHBondContact O-N 2.83Å |
| 110 | S | 55.5 | Low | 70.4 | Confident | 59 Ų | 59 | 57.7 Ų | 57.7 | 41% | 0.413 | 34% | 0.342 | S | S | . | . | trans | -131.9 | 148.3 | -166.8 | -177.9 | 0 | 0 | 0 | 0 | 114.4 | I106 N112 T113 | I106-S110 PolarHBondContact O-N 2.82Å; S110-N112 VanDerWaalsContact C-N 3.33Å; S110-N112 PolarHBondContact OG-N 3.28Å; S110-N112 VanDerWaalsContact OG-N 3.11Å; S110-T113 WeakPolarHBondContact O-CG2 3.46Å | ||
| 111 | A | 57.3 | Low | 70.5 | Confident | 114 Ų | 114 | 57.2 Ų | 57.2 | 94% | 0.942 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -76.6 | -17.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 112 | N | 60.3 | Low | 70.5 | Confident | 110 Ų | 110 | 55.2 Ų | 55.2 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | trans | -111 | 60.2 | 173 | -168.7 | -4.2 | 0 | 0 | 0 | 109.7 | S110 N114 | S110-N112 VanDerWaalsContact C-N 3.33Å; S110-N112 PolarHBondContact OG-N 3.28Å; S110-N112 VanDerWaalsContact OG-N 3.11Å; N112-N114 VanDerWaalsContact C-N 3.3Å; N112-N114 PolarHBondContact O-N 3.15Å | ||
| 113 | T | 67 | Low | 70.5 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.6 | -44 | -178.5 | 51.8 | 0 | 0 | 0 | 0 | 111.3 | S110 G115 A116 L117 | S110-T113 WeakPolarHBondContact O-CG2 3.46Å; T113-G115 PolarHBondContact O-N 3.45Å; T113-A116 PolarHBondContact O-N 3.38Å; T113-L117 WeakPolarHBondContact O-CB 3.35Å; T113-L117 WeakPolarHBondContact O-CG 3.41Å; T113-L117 PolarHBondContact O-N 3.15Å |
| 114 | N | 68.6 | Low | 70.2 | Confident | 40 Ų | 40 | 57 Ų | 57 | 21% | 0.214 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.5 | -37.5 | -164.7 | -61.3 | -16.8 | 0 | 0 | 0 | 113 | N112 L118 H151 | N112-N114 VanDerWaalsContact C-N 3.3Å; N112-N114 PolarHBondContact O-N 3.15Å; N114-L118 WeakPolarHBondContact O-CB 3.35Å; N114-L118 PolarHBondContact O-N 3.19Å; N114-H151 WeakPolarHBondContact CB-ND1 3.39Å; N114-H151 PolarHBondContact ND2-CE1 3.21Å; N114-H151 VanDerWaalsContact ND2-CE1 3.27Å; N114-H151 VanDerWaalsContact ND2-CG 3.32Å; N114-H151 PolarHBondContact ND2-ND1 3.07Å; N114-H151 VanDerWaalsContact ND2-ND1 3.12Å |
| 115 | G | 70.2 | Confident | 70.2 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.6 | -47.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | T113 L118 E119 | T113-G115 PolarHBondContact O-N 3.45Å; G115-L118 WeakPolarHBondContact O-CB 3.12Å; G115-L118 PolarHBondContact O-N 2.9Å; G115-E119 PolarHBondContact O-N 2.98Å |
| 116 | A | 72.2 | Confident | 70.1 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 26% | 0.256 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.9 | -34 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I106 T113 E119 L120 | I106-A116 HydrophobicContact CD1-CB 4.48Å; I106-A116 HydrophobicContact CG2-CB 3.63Å; T113-A116 PolarHBondContact O-N 3.38Å; A116-E119 PolarHBondContact O-N 3.42Å; A116-L120 WeakPolarHBondContact O-CB 3.22Å; A116-L120 PolarHBondContact O-N 3.11Å |
| 117 | L | 76.9 | Confident | 70.1 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 173.5 | -67.8 | 176.3 | 0 | 0 | 0 | 111.7 | W103 I106 T113 L120 L121 V148 | W103-L117 HydrophobicContact CB-CD2 4.47Å; W103-L117 HydrophobicContact CD2-CD2 3.52Å; W103-L117 HydrophobicContact CD2-CG 4.44Å; W103-L117 HydrophobicContact CE3-CB 4.23Å; W103-L117 HydrophobicContact CE3-CD2 3.61Å; W103-L117 HydrophobicContact CE3-CG 4.38Å; W103-L117 HydrophobicContact CG-CD2 3.9Å; W103-L117 HydrophobicContact CH2-CB 3.9Å; W103-L117 HydrophobicContact CH2-CD1 4.21Å; W103-L117 HydrophobicContact CH2-CD2 4.39Å; W103-L117 HydrophobicContact CH2-CG 4.37Å; W103-L117 HydrophobicContact CZ2-CB 4.45Å; W103-L117 HydrophobicContact CZ2-CD1 3.93Å; W103-L117 HydrophobicContact CZ2-CD2 4.36Å; W103-L117 HydrophobicContact CZ2-CG 4.46Å; W103-L117 HydrophobicContact CZ3-CB 3.75Å; W103-L117 HydrophobicContact CZ3-CD2 4.02Å; W103-L117 HydrophobicContact CZ3-CG 4.31Å; W103-L117 WeakPolarHBondContact O-CD2 3.46Å; I106-L117 HydrophobicContact CB-CD2 3.76Å; I106-L117 HydrophobicContact CD1-CD2 4.46Å; I106-L117 HydrophobicContact CG2-CD2 3.6Å; I106-L117 HydrophobicContact CG2-CG 3.84Å; T113-L117 WeakPolarHBondContact O-CB 3.35Å; T113-L117 WeakPolarHBondContact O-CG 3.41Å; T113-L117 PolarHBondContact O-N 3.15Å; L117-L120 PolarHBondContact O-N 2.97Å; L117-L121 WeakPolarHBondContact O-CG 3.43Å; L117-L121 PolarHBondContact O-N 3.43Å; L117-V148 HydrophobicContact CB-CG1 4.04Å; L117-V148 HydrophobicContact CB-CG2 4.35Å; L117-V148 HydrophobicContact CD1-CG2 3.81Å |
| 118 | L | 69.9 | Low | 69.8 | Low | 27 Ų | 27 | 57.1 Ų | 57.1 | 14% | 0.141 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 174.8 | -169.4 | 80.2 | 0 | 0 | 0 | 111.7 | N114 G115 L120 L121 F122 L149 A152 | N114-L118 WeakPolarHBondContact O-CB 3.35Å; N114-L118 PolarHBondContact O-N 3.19Å; G115-L118 WeakPolarHBondContact O-CB 3.12Å; G115-L118 PolarHBondContact O-N 2.9Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 2.81Å; L118-L121 WeakPolarHBondContact O-CB 3.4Å; L118-L121 PolarHBondContact O-N 2.93Å; L118-F122 HydrophobicContact CD1-CE1 4.02Å; L118-F122 HydrophobicContact CD1-CE2 4.13Å; L118-F122 HydrophobicContact CD1-CZ 3.7Å; L118-F122 HydrophobicContact CD2-CD2 4.23Å; L118-F122 HydrophobicContact CD2-CE2 3.5Å; L118-F122 HydrophobicContact CD2-CZ 3.87Å; L118-F122 HydrophobicContact CG-CD2 4Å; L118-F122 HydrophobicContact CG-CE1 4.22Å; L118-F122 HydrophobicContact CG-CE2 3.56Å; L118-F122 HydrophobicContact CG-CZ 3.69Å; L118-F122 WeakPolarHBondContact O-CB 3.48Å; L118-F122 VanDerWaalsContact O-CG 3.31Å; L118-F122 WeakPolarHBondContact O-CG 3.38Å; L118-F122 PolarHBondContact O-N 3.32Å; L118-L149 HydrophobicContact CD1-CD2 4.29Å; L118-A152 HydrophobicContact CD1-CB 3.56Å; L118-A152 HydrophobicContact CD2-CB 3.85Å; L118-A152 HydrophobicContact CG-CB 4.29Å |
| 119 | E | 74 | Confident | 69.7 | Low | 112 Ų | 112 | 52.3 Ų | 52.3 | 52% | 0.523 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 176.4 | -171.1 | -179.2 | -173.5 | 0 | 0 | 111.2 | M90 G115 A116 L121 F122 N123 | M90-E119 HydrophobicContact CE-CB 3.9Å; M90-E119 HydrophobicContact CE-CG 3.6Å; M90-E119 VanDerWaalsContact SD-CD 3.59Å; M90-E119 HydrophobicContact SD-CG 4.08Å; G115-E119 PolarHBondContact O-N 2.98Å; A116-E119 PolarHBondContact O-N 3.42Å; E119-L121 PolarHBondContact O-N 3.47Å; E119-F122 PolarHBondContact O-N 3.12Å; E119-N123 WeakPolarHBondContact O-CB 3.4Å; E119-N123 PolarHBondContact O-N 3.34Å |
| 120 | L | 74.2 | Confident | 69.9 | Low | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 173.7 | -168.8 | 156.9 | 0 | 0 | 0 | 110.6 | M90 I93 F99 Q102 I106 A116 L117 L118 F122 N123 Q124 | M90-L120 HydrophobicContact CE-CB 4.34Å; I93-L120 HydrophobicContact CD1-CD2 4.44Å; F99-L120 HydrophobicContact CD2-CD2 3.35Å; F99-L120 HydrophobicContact CE2-CD2 3.05Å; F99-L120 HydrophobicContact CG-CD2 4.35Å; F99-L120 HydrophobicContact CZ-CD2 3.87Å; Q102-L120 HydrophobicContact CB-CD1 3.74Å; I106-L120 HydrophobicContact CD1-CB 4.24Å; I106-L120 HydrophobicContact CD1-CD1 3.45Å; I106-L120 VanDerWaalsContact CD1-CD1 3.45Å; I106-L120 HydrophobicContact CD1-CG 4.46Å; A116-L120 WeakPolarHBondContact O-CB 3.22Å; A116-L120 PolarHBondContact O-N 3.11Å; L117-L120 PolarHBondContact O-N 2.97Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 2.81Å; L120-F122 PolarHBondContact O-N 3.4Å; L120-N123 PolarHBondContact O-N 3.45Å; L120-Q124 HydrophobicContact CD2-CG 4.21Å; L120-Q124 VanDerWaalsContact O-CG 3.24Å; L120-Q124 WeakPolarHBondContact O-CG 3.42Å; L120-Q124 PolarHBondContact O-N 3.45Å; L120-Q124 PolarHBondContact O-NE2 3.19Å |
| 121 | L | 76.3 | Confident | 70.8 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 175.7 | -76.1 | 166.4 | 0 | 0 | 0 | 112.4 | F99 W103 L117 L118 E119 N123 Q124 L129 I145 L149 I177 | F99-L121 HydrophobicContact CE2-CD2 4.2Å; F99-L121 HydrophobicContact CZ-CD2 3.73Å; W103-L121 HydrophobicContact CH2-CD1 3.96Å; W103-L121 HydrophobicContact CH2-CG 4.48Å; W103-L121 HydrophobicContact CZ3-CD1 3.69Å; W103-L121 HydrophobicContact CZ3-CD2 4.12Å; W103-L121 HydrophobicContact CZ3-CG 3.73Å; L117-L121 WeakPolarHBondContact O-CG 3.43Å; L117-L121 PolarHBondContact O-N 3.43Å; L118-L121 WeakPolarHBondContact O-CB 3.4Å; L118-L121 PolarHBondContact O-N 2.93Å; E119-L121 PolarHBondContact O-N 3.47Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 3.11Å; L121-Q124 PolarHBondContact O-N 2.86Å; L121-L129 HydrophobicContact CD2-CD2 4.06Å; L121-I145 HydrophobicContact CD1-CG2 4.17Å; L121-L149 HydrophobicContact CD1-CD2 4.44Å; L121-I177 HydrophobicContact CB-CD1 4.11Å |
| 122 | F | 72.6 | Confident | 71.5 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 20% | 0.202 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.6 | -20.9 | -178.2 | -72.5 | -11.8 | 0 | 0 | 0 | 114.4 | L118 E119 L120 V170 K173 V174 I177 | L118-F122 HydrophobicContact CD1-CE1 4.02Å; L118-F122 HydrophobicContact CD1-CE2 4.13Å; L118-F122 HydrophobicContact CD1-CZ 3.7Å; L118-F122 HydrophobicContact CD2-CD2 4.23Å; L118-F122 HydrophobicContact CD2-CE2 3.5Å; L118-F122 HydrophobicContact CD2-CZ 3.87Å; L118-F122 HydrophobicContact CG-CD2 4Å; L118-F122 HydrophobicContact CG-CE1 4.22Å; L118-F122 HydrophobicContact CG-CE2 3.56Å; L118-F122 HydrophobicContact CG-CZ 3.69Å; L118-F122 WeakPolarHBondContact O-CB 3.48Å; L118-F122 VanDerWaalsContact O-CG 3.31Å; L118-F122 WeakPolarHBondContact O-CG 3.38Å; L118-F122 PolarHBondContact O-N 3.32Å; E119-F122 PolarHBondContact O-N 3.12Å; L120-F122 PolarHBondContact O-N 3.4Å; F122-V170 HydrophobicContact CE2-CG2 4.29Å; F122-V170 HydrophobicContact CZ-CG1 4.12Å; F122-K173 HydrophobicContact CB-CD 4.14Å; F122-K173 HydrophobicContact CD1-CB 3.81Å; F122-K173 HydrophobicContact CD1-CD 3.75Å; F122-K173 HydrophobicContact CD1-CG 4.42Å; F122-K173 HydrophobicContact CD2-CD 4.02Å; F122-K173 HydrophobicContact CE1-CB 3.5Å; F122-K173 VanDerWaalsContact CE1-CB 3.5Å; F122-K173 HydrophobicContact CE1-CD 4.08Å; F122-K173 HydrophobicContact CE1-CG 4.46Å; F122-K173 HydrophobicContact CE2-CD 4.31Å; F122-K173 HydrophobicContact CG-CD 3.72Å; F122-K173 HydrophobicContact CZ-CB 4.04Å; F122-K173 HydrophobicContact CZ-CD 4.34Å; F122-V174 HydrophobicContact CE1-CG2 4.18Å; F122-V174 HydrophobicContact CZ-CG2 4.26Å; F122-I177 HydrophobicContact CD1-CD1 3.8Å; F122-I177 HydrophobicContact CE1-CD1 3.94Å |
| 123 | N | 75.6 | Confident | 71.9 | Confident | 67 Ų | 67 | 41.3 Ų | 41.3 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -4.2 | 177.4 | -166.6 | 61.5 | 0 | 0 | 0 | 113.1 | M90 E119 L120 L121 | M90-N123 PolarHBondContact O-ND2 3.16Å; E119-N123 WeakPolarHBondContact O-CB 3.4Å; E119-N123 PolarHBondContact O-N 3.34Å; L120-N123 PolarHBondContact O-N 3.45Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 3.11Å |
| 124 | Q | 71.3 | Confident | 72 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -83.8 | 152.2 | 178 | -62.5 | -36.2 | -62 | 0 | 0 | 112.9 | I93 F99 L120 L121 L129 | I93-Q124 VanDerWaalsContact CB-OE1 3.3Å; F99-Q124 HydrophobicContact CD2-CG 3.6Å; F99-Q124 HydrophobicContact CE2-CG 3.55Å; L120-Q124 HydrophobicContact CD2-CG 4.21Å; L120-Q124 VanDerWaalsContact O-CG 3.24Å; L120-Q124 WeakPolarHBondContact O-CG 3.42Å; L120-Q124 PolarHBondContact O-N 3.45Å; L120-Q124 PolarHBondContact O-NE2 3.19Å; L121-Q124 PolarHBondContact O-N 2.86Å; Q124-L129 HydrophobicContact CB-CD1 4.48Å; Q124-L129 HydrophobicContact CB-CD2 4.3Å; Q124-L129 HydrophobicContact CB-CG 4.21Å |
| 125 | N | 71.6 | Confident | 71.9 | Confident | 90 Ų | 90 | 42.6 Ų | 42.6 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | trans | -73.9 | 140.9 | 169.1 | -65.3 | -24.2 | 0 | 0 | 0 | 110.3 | E127 V128 L129 | N125-E127 PolarHBondContact O-N 3.34Å; N125-E127 VanDerWaalsContact O-N 3.14Å; N125-V128 HydrophobicContact CB-CG2 4.35Å; N125-V128 PolarHBondContact O-N 2.89Å; N125-L129 PolarHBondContact O-N 3.2Å | ||
| 126 | N | 69.6 | Low | 71.7 | Confident | 59 Ų | 59 | 43 Ų | 43 | 32% | 0.316 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56 | -31.6 | 178.2 | -65.2 | -45.9 | 0 | 0 | 0 | 113.3 | V128 L129 E130 M176 S180 | N126-V128 PolarHBondContact O-N 3.34Å; N126-L129 PolarHBondContact O-N 2.89Å; N126-E130 PolarHBondContact O-N 3.48Å; N126-M176 WeakPolarHBondContact ND2-CE 3.49Å; N126-S180 WeakPolarHBondContact CB-OG 3.37Å; N126-S180 PolarHBondContact OD1-OG 3.2Å |
| 127 | E | 72.9 | Confident | 71.2 | Confident | 148 Ų | 148 | 43.3 Ų | 43.3 | 69% | 0.692 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66 | -34.6 | 177.1 | -63.9 | -177.7 | 177.4 | 0 | 0 | 113.2 | N125 N131 | N125-E127 PolarHBondContact O-N 3.34Å; N125-E127 VanDerWaalsContact O-N 3.14Å; E127-N131 WeakPolarHBondContact O-CB 3.41Å; E127-N131 PolarHBondContact O-N 3.11Å; E127-N131 PolarHBondContact O-ND2 3.33Å |
| 128 | V | 68.5 | Low | 70.6 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.8 | -38.5 | 177.4 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | N125 N126 N131 L132 | N125-V128 HydrophobicContact CB-CG2 4.35Å; N125-V128 PolarHBondContact O-N 2.89Å; N126-V128 PolarHBondContact O-N 3.34Å; V128-N131 CarbonylContact O-C 3.41Å; V128-N131 PolarHBondContact O-N 3.44Å; V128-L132 PolarHBondContact O-N 2.82Å |
| 129 | L | 70.8 | Confident | 70.4 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 175.8 | -66.5 | 175.2 | 0 | 0 | 0 | 111.9 | F99 L121 Q124 N125 N126 L132 I177 F181 | F99-L129 HydrophobicContact CE2-CD2 4.42Å; L121-L129 HydrophobicContact CD2-CD2 4.06Å; Q124-L129 HydrophobicContact CB-CD1 4.48Å; Q124-L129 HydrophobicContact CB-CD2 4.3Å; Q124-L129 HydrophobicContact CB-CG 4.21Å; N125-L129 PolarHBondContact O-N 3.2Å; N126-L129 PolarHBondContact O-N 2.89Å; L129-L132 VanDerWaalsContact O-CB 3.26Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 3.27Å; L129-I177 HydrophobicContact CD1-CB 4.43Å; L129-I177 HydrophobicContact CD1-CG1 3.82Å; L129-I177 HydrophobicContact CD1-CG2 4.26Å; L129-F181 HydrophobicContact CB-CD1 4.06Å; L129-F181 HydrophobicContact CB-CE1 3.66Å; L129-F181 HydrophobicContact CD2-CE1 3.74Å; L129-F181 HydrophobicContact CD2-CZ 4.12Å; L129-F181 HydrophobicContact CG-CE1 4.2Å; L129-F181 WeakPolarHBondContact O-CD1 3.38Å |
| 130 | E | 73.7 | Confident | 70.3 | Confident | 66 Ų | 66 | 43.1 Ų | 43.1 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.3 | -40.1 | 173.8 | -176.2 | 176.4 | 159.9 | 0 | 0 | 111.7 | N126 L132 K183 S184 | N126-E130 PolarHBondContact O-N 3.48Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.12Å; E130-K183 HydrophobicContact CG-CB 3.85Å; E130-S184 WeakPolarHBondContact O-CB 3.46Å; E130-S184 PolarHBondContact O-OG 3.37Å |
| 131 | N | 73.4 | Confident | 70.3 | Confident | 74 Ų | 74 | 43.5 Ų | 43.5 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -80.6 | -6.7 | 178.5 | -73.3 | -46.4 | 0 | 0 | 0 | 114.4 | P96 E127 V128 F133 N134 | P96-N131 HydrophobicContact CG-CB 4.05Å; E127-N131 WeakPolarHBondContact O-CB 3.41Å; E127-N131 PolarHBondContact O-N 3.11Å; E127-N131 PolarHBondContact O-ND2 3.33Å; V128-N131 CarbonylContact O-C 3.41Å; V128-N131 PolarHBondContact O-N 3.44Å; N131-F133 PolarHBondContact O-N 3.33Å; N131-N134 WeakPolarHBondContact O-CB 3.46Å; N131-N134 PolarHBondContact O-N 3.19Å; N131-N134 PolarHBondContact OD1-ND2 3.5Å |
| 132 | L | 72.7 | Confident | 70.5 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.4 | -50.8 | -177.3 | -165.2 | 98.4 | 0 | 0 | 0 | 111.5 | F99 V128 L129 E130 N134 T135 F141 I145 | F99-L132 HydrophobicContact CB-CD1 4.39Å; F99-L132 HydrophobicContact CD1-CD1 3.19Å; F99-L132 HydrophobicContact CE1-CD1 3.44Å; F99-L132 VanDerWaalsContact CE1-CD1 3.44Å; F99-L132 HydrophobicContact CE1-CD2 4.37Å; F99-L132 HydrophobicContact CG-CD1 3.89Å; F99-L132 HydrophobicContact CZ-CD1 4.33Å; V128-L132 PolarHBondContact O-N 2.82Å; L129-L132 VanDerWaalsContact O-CB 3.26Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 3.27Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.12Å; L132-N134 VanDerWaalsContact C-N 3.31Å; L132-N134 PolarHBondContact O-N 3.03Å; L132-T135 PolarHBondContact O-N 3.27Å; L132-T135 PolarHBondContact O-OG1 2.97Å; L132-F141 HydrophobicContact CD2-CD1 3.46Å; L132-F141 VanDerWaalsContact CD2-CD1 3.46Å; L132-F141 HydrophobicContact CD2-CE1 3.72Å; L132-F141 HydrophobicContact CD2-CG 4.45Å; L132-I145 HydrophobicContact CD2-CD1 4.2Å |
| 133 | F | 68.3 | Low | 71 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -73.7 | -23 | -179.1 | -56.5 | -89.4 | 0 | 0 | 0 | 112.2 | N131 T135 G136 G138 L142 I145 F181 S184 Q186 A190 | N131-F133 PolarHBondContact O-N 3.33Å; F133-T135 PolarHBondContact O-N 3.16Å; F133-T135 VanDerWaalsContact O-N 3.07Å; F133-G136 PolarHBondContact O-N 2.92Å; F133-G138 WeakPolarHBondContact CE1-O 3.08Å; F133-L142 HydrophobicContact CE1-CB 3.87Å; F133-L142 HydrophobicContact CE1-CD1 3.85Å; F133-L142 HydrophobicContact CE1-CG 4.34Å; F133-L142 HydrophobicContact CZ-CB 4.47Å; F133-L142 HydrophobicContact CZ-CD1 3.69Å; F133-I145 HydrophobicContact CZ-CD1 3.96Å; F133-F181 HydrophobicContact CD2-CD1 4.27Å; F133-F181 HydrophobicContact CE2-CB 3.93Å; F133-F181 AromaticContact CE2-CD1 3.44Å; F133-F181 HydrophobicContact CE2-CD1 3.44Å; F133-F181 VanDerWaalsContact CE2-CD1 3.44Å; F133-F181 HydrophobicContact CE2-CD2 4.1Å; F133-F181 AromaticContact CE2-CE1 3.77Å; F133-F181 HydrophobicContact CE2-CE1 3.77Å; F133-F181 HydrophobicContact CE2-CE2 4.44Å; F133-F181 AromaticContact CE2-CG 3.58Å; F133-F181 HydrophobicContact CE2-CG 3.58Å; F133-F181 HydrophobicContact CE2-CZ 4.27Å; F133-F181 HydrophobicContact CZ-CD1 4.34Å; F133-F181 HydrophobicContact CZ-CD2 4.31Å; F133-F181 HydrophobicContact CZ-CE1 4.42Å; F133-F181 HydrophobicContact CZ-CE2 4.47Å; F133-F181 HydrophobicContact CZ-CG 4.23Å; F133-S184 WeakPolarHBondContact CB-OG 3.41Å; F133-Q186 HydrophobicContact CB-CB 4.08Å; F133-Q186 WeakPolarHBondContact O-CB 3.26Å; F133-Q186 PolarHBondContact O-OE1 3.35Å; F133-A190 HydrophobicContact CD1-CB 3.81Å; F133-A190 HydrophobicContact CE1-CB 4.29Å |
| 134 | N | 68.7 | Low | 71.3 | Confident | 51 Ų | 51 | 42.2 Ų | 42.2 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -63.9 | -15.3 | 177.7 | -69.9 | -26.8 | 0 | 0 | 0 | 113.4 | N131 L132 G136 S184 K185 Q186 | N131-N134 WeakPolarHBondContact O-CB 3.46Å; N131-N134 PolarHBondContact O-N 3.19Å; N131-N134 PolarHBondContact OD1-ND2 3.5Å; L132-N134 VanDerWaalsContact C-N 3.31Å; L132-N134 PolarHBondContact O-N 3.03Å; N134-G136 VanDerWaalsContact C-N 3.33Å; N134-S184 PolarHBondContact OD1-OG 2.99Å; N134-K185 PolarHBondContact OD1-N 3.1Å; N134-Q186 PolarHBondContact O-NE2 3.12Å |
| 135 | T | 67 | Low | 71.8 | Confident | 47 Ų | 47 | 41.5 Ų | 41.5 | 29% | 0.288 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -85.5 | 1.9 | 178.7 | 63.8 | 0 | 0 | 0 | 0 | 114.6 | P96 L132 F133 L137 | P96-T135 HydrophobicContact CB-CG2 3.59Å; P96-T135 HydrophobicContact CG-CG2 3.88Å; L132-T135 PolarHBondContact O-N 3.27Å; L132-T135 PolarHBondContact O-OG1 2.97Å; F133-T135 PolarHBondContact O-N 3.16Å; F133-T135 VanDerWaalsContact O-N 3.07Å; T135-L137 PolarHBondContact O-N 3.07Å |
| 136 | G | 64.9 | Low | 72.4 | Confident | 47 Ų | 47 | 37.4 Ų | 37.4 | 49% | 0.485 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -5.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F133 N134 G138 | F133-G136 PolarHBondContact O-N 2.92Å; N134-G136 VanDerWaalsContact C-N 3.33Å; G136-G138 VanDerWaalsContact C-N 3.26Å |
| 137 | L | 62.9 | Low | 73 | Confident | 37 Ų | 37 | 38.1 Ų | 38.1 | 19% | 0.194 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -7.9 | 176.5 | -62.8 | 172.8 | 0 | 0 | 0 | 113 | Y68 V100 T135 V139 S140 F141 | Y68-L137 HydrophobicContact CD2-CD2 4.5Å; Y68-L137 HydrophobicContact CE2-CD2 4.15Å; V100-L137 HydrophobicContact CB-CD1 4.42Å; V100-L137 HydrophobicContact CG1-CD1 4.46Å; V100-L137 HydrophobicContact CG2-CD1 3.98Å; T135-L137 PolarHBondContact O-N 3.07Å; L137-V139 PolarHBondContact O-N 3.22Å; L137-S140 PolarHBondContact O-OG 2.99Å; L137-F141 WeakPolarHBondContact O-CB 3.48Å |
| 138 | G | 63.7 | Low | 73.4 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.6 | -36.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | F133 G136 F141 L142 | F133-G138 WeakPolarHBondContact CE1-O 3.08Å; G136-G138 VanDerWaalsContact C-N 3.26Å; G138-F141 PolarHBondContact O-N 2.63Å; G138-F141 VanDerWaalsContact O-N 3.15Å; G138-L142 PolarHBondContact O-N 3.43Å |
| 139 | V | 65.6 | Low | 74 | Confident | 54 Ų | 54 | 30.8 Ų | 30.8 | 33% | 0.327 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.3 | -51 | -173.2 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | L137 F141 P143 C193 | L137-V139 PolarHBondContact O-N 3.22Å; V139-F141 PolarHBondContact O-N 3.29Å; V139-P143 WeakPolarHBondContact O-CD 3.47Å; V139-C193 HydrophobicContact CB-CB 4.25Å; V139-C193 HydrophobicContact CG1-CB 3.23Å; V139-C193 HydrophobicContact CG2-CB 4.1Å |
| 140 | S | 71.1 | Confident | 74.5 | Confident | 82 Ų | 82 | 32 Ų | 32 | 57% | 0.573 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -72.8 | -14.6 | 179.5 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | L137 | L137-S140 PolarHBondContact O-OG 2.99Å |
| 141 | F | 75 | Confident | 74.8 | Confident | 11 Ų | 11 | 32.3 Ų | 32.3 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -101.7 | -29.9 | -168.5 | -164.2 | -98.5 | 0 | 0 | 0 | 112.7 | F99 W103 L132 L137 G138 V139 E144 I145 | F99-F141 HydrophobicContact CD1-CE1 4.46Å; F99-F141 HydrophobicContact CD1-CZ 4.21Å; F99-F141 AromaticContact CE1-CE1 3.47Å; F99-F141 HydrophobicContact CE1-CE1 3.47Å; F99-F141 VanDerWaalsContact CE1-CE1 3.47Å; F99-F141 HydrophobicContact CE1-CE2 4.46Å; F99-F141 AromaticContact CE1-CZ 3.37Å; F99-F141 HydrophobicContact CE1-CZ 3.37Å; F99-F141 HydrophobicContact CZ-CE1 4.19Å; F99-F141 HydrophobicContact CZ-CZ 4.16Å; W103-F141 HydrophobicContact CB-CE2 3.94Å; W103-F141 HydrophobicContact CB-CZ 3.94Å; W103-F141 AromaticContact CD1-CE2 3.23Å; W103-F141 AromaticContact CD1-CZ 3.72Å; W103-F141 HydrophobicContact CD2-CE1 4.32Å; W103-F141 AromaticContact CD2-CE2 3.64Å; W103-F141 HydrophobicContact CD2-CE2 3.64Å; W103-F141 AromaticContact CD2-CZ 3.22Å; W103-F141 HydrophobicContact CD2-CZ 3.22Å; W103-F141 AromaticContact CE2-CE2 3.7Å; W103-F141 AromaticContact CE2-CZ 3.51Å; W103-F141 AromaticContact CE3-CZ 3.7Å; W103-F141 HydrophobicContact CE3-CZ 3.7Å; W103-F141 AromaticContact CG-CE2 3.33Å; W103-F141 HydrophobicContact CG-CE2 3.33Å; W103-F141 AromaticContact CG-CZ 3.37Å; W103-F141 HydrophobicContact CG-CZ 3.37Å; W103-F141 HydrophobicContact CZ2-CZ 4.17Å; W103-F141 HydrophobicContact CZ3-CZ 4.36Å; W103-F141 AromaticContact NE1-CE2 3.4Å; W103-F141 AromaticContact NE1-CZ 3.74Å; L132-F141 HydrophobicContact CD2-CD1 3.46Å; L132-F141 VanDerWaalsContact CD2-CD1 3.46Å; L132-F141 HydrophobicContact CD2-CE1 3.72Å; L132-F141 HydrophobicContact CD2-CG 4.45Å; L137-F141 WeakPolarHBondContact O-CB 3.48Å; G138-F141 PolarHBondContact O-N 2.63Å; G138-F141 VanDerWaalsContact O-N 3.15Å; V139-F141 PolarHBondContact O-N 3.29Å; F141-E144 PolarHBondContact O-N 3.04Å; F141-I145 HydrophobicContact CD1-CD1 3.23Å; F141-I145 HydrophobicContact CD1-CG1 3.5Å; F141-I145 HydrophobicContact CE1-CD1 3.32Å; F141-I145 HydrophobicContact CE1-CG1 3.25Å; F141-I145 HydrophobicContact CG-CD1 4.44Å; F141-I145 HydrophobicContact CZ-CG1 4.19Å; F141-I145 WeakPolarHBondContact O-CG1 3.43Å; F141-I145 PolarHBondContact O-N 2.97Å |
| 142 | L | 81 | Confident | 74.9 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.8 | -48.4 | 178.5 | -170.6 | 61.3 | 0 | 0 | 0 | 113.3 | F133 G138 E144 I145 L146 F187 A190 V191 L194 | F133-L142 HydrophobicContact CE1-CB 3.87Å; F133-L142 HydrophobicContact CE1-CD1 3.85Å; F133-L142 HydrophobicContact CE1-CG 4.34Å; F133-L142 HydrophobicContact CZ-CB 4.47Å; F133-L142 HydrophobicContact CZ-CD1 3.69Å; G138-L142 PolarHBondContact O-N 3.43Å; L142-E144 VanDerWaalsContact C-N 3.27Å; L142-E144 PolarHBondContact O-N 3Å; L142-I145 PolarHBondContact O-N 3.48Å; L142-L146 HydrophobicContact CG-CD1 4.07Å; L142-L146 HydrophobicContact CG-CG 4.5Å; L142-L146 VanDerWaalsContact O-CG 3.31Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.31Å; L142-F187 HydrophobicContact CD1-CE2 4.03Å; L142-F187 HydrophobicContact CD2-CE2 4.33Å; L142-A190 HydrophobicContact CD2-CB 3.89Å; L142-V191 HydrophobicContact CD2-CG2 4Å; L142-L194 HydrophobicContact CB-CD2 4.25Å; L142-L194 HydrophobicContact CD2-CD1 3.84Å; L142-L194 HydrophobicContact CD2-CD2 4.05Å; L142-L194 HydrophobicContact CD2-CG 4.11Å; L142-L194 HydrophobicContact CG-CD1 4.49Å; L142-L194 HydrophobicContact CG-CD2 4.22Å |
| 143 | P | 81.9 | Confident | 74.9 | Confident | 23 Ų | 23 | 29.3 Ų | 29.3 | 15% | 0.149 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.8 | -37.4 | 179.2 | -15.9 | 26.1 | 0 | 0 | 0 | 112.7 | V139 L146 S147 L194 E198 | V139-P143 WeakPolarHBondContact O-CD 3.47Å; P143-L146 PolarHBondContact O-N 2.93Å; P143-S147 WeakPolarHBondContact O-CB 3.24Å; P143-S147 PolarHBondContact O-N 3.34Å; P143-L194 HydrophobicContact CB-CD2 4.33Å; P143-L194 HydrophobicContact CG-CD2 3.56Å; P143-E198 VanDerWaalsContact CB-CD 3.48Å; P143-E198 HydrophobicContact CB-CG 4.08Å; P143-E198 VanDerWaalsContact CB-OE1 3.22Å; P143-E198 WeakPolarHBondContact CB-OE1 3.34Å; P143-E198 WeakPolarHBondContact CG-OE1 3.31Å |
| 144 | E | 82 | Confident | 75.3 | Confident | 63 Ų | 63 | 31.8 Ų | 31.8 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65 | -44.8 | 179.1 | -60.3 | -164.9 | -173.9 | 0 | 0 | 111 | W103 K107 F141 L142 L146 S147 V148 | W103-E144 HydrophobicContact CZ2-CB 4.26Å; W103-E144 PolarHBondContact NE1-OE2 3.22Å; W103-E144 VanDerWaalsContact NE1-OE2 3.15Å; K107-E144 IonicContact NZ-OE1 3.66Å; K107-E144 PolarHBondContact NZ-OE1 3.37Å; K107-E144 IonicContact NZ-OE2 3.56Å; K107-E144 PolarHBondContact NZ-OE2 3.16Å; F141-E144 PolarHBondContact O-N 3.04Å; L142-E144 VanDerWaalsContact C-N 3.27Å; L142-E144 PolarHBondContact O-N 3Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 2.98Å; E144-S147 PolarHBondContact O-N 3.3Å; E144-V148 WeakPolarHBondContact O-CG2 3.34Å; E144-V148 PolarHBondContact O-N 3.42Å |
| 145 | I | 82.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 175.4 | -60 | 159.8 | 0 | 0 | 0 | 110 | W103 L121 L132 F133 F141 L142 S147 V148 L149 F181 | W103-I145 HydrophobicContact CH2-CG1 4.28Å; W103-I145 HydrophobicContact CZ2-CG1 4.47Å; L121-I145 HydrophobicContact CD1-CG2 4.17Å; L132-I145 HydrophobicContact CD2-CD1 4.2Å; F133-I145 HydrophobicContact CZ-CD1 3.96Å; F141-I145 HydrophobicContact CD1-CD1 3.23Å; F141-I145 HydrophobicContact CD1-CG1 3.5Å; F141-I145 HydrophobicContact CE1-CD1 3.32Å; F141-I145 HydrophobicContact CE1-CG1 3.25Å; F141-I145 HydrophobicContact CG-CD1 4.44Å; F141-I145 HydrophobicContact CZ-CG1 4.19Å; F141-I145 WeakPolarHBondContact O-CG1 3.43Å; F141-I145 PolarHBondContact O-N 2.97Å; L142-I145 PolarHBondContact O-N 3.48Å; I145-S147 VanDerWaalsContact C-N 3.29Å; I145-S147 PolarHBondContact O-N 3.46Å; I145-V148 PolarHBondContact O-N 2.87Å; I145-V148 VanDerWaalsContact O-N 3.16Å; I145-L149 HydrophobicContact CG2-CD1 3.71Å; I145-L149 HydrophobicContact CG2-CG 3.92Å; I145-L149 WeakPolarHBondContact O-CB 3.42Å; I145-L149 VanDerWaalsContact O-CG 3.24Å; I145-L149 WeakPolarHBondContact O-CG 3.31Å; I145-L149 PolarHBondContact O-N 3.27Å; I145-F181 HydrophobicContact CD1-CE2 3.77Å; I145-F181 HydrophobicContact CD1-CZ 3.65Å; I145-F181 HydrophobicContact CG2-CE2 3.77Å; I145-F181 HydrophobicContact CG2-CZ 4.21Å |
| 146 | L | 83.5 | Confident | 75.1 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.6 | -40.6 | -180 | -70.7 | 170.8 | 0 | 0 | 0 | 111.9 | L142 P143 E144 L149 N150 L178 L194 A202 L205 | L142-L146 HydrophobicContact CG-CD1 4.07Å; L142-L146 HydrophobicContact CG-CG 4.5Å; L142-L146 VanDerWaalsContact O-CG 3.31Å; L142-L146 WeakPolarHBondContact O-CG 3.45Å; L142-L146 PolarHBondContact O-N 3.31Å; P143-L146 PolarHBondContact O-N 2.93Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 2.98Å; L146-L149 PolarHBondContact O-N 3.29Å; L146-N150 WeakPolarHBondContact O-CB 3.47Å; L146-N150 PolarHBondContact O-N 3.32Å; L146-L178 HydrophobicContact CD2-CD2 4.33Å; L146-L194 HydrophobicContact CD1-CD1 4.25Å; L146-A202 HydrophobicContact CD1-CB 3.98Å; L146-A202 HydrophobicContact CD2-CB 4.29Å; L146-L205 HydrophobicContact CD2-CD2 4.14Å |
| 147 | S | 83 | Confident | 74.8 | Confident | 75 Ų | 75 | 32.7 Ų | 32.7 | 52% | 0.524 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 175.3 | -174.2 | 0 | 0 | 0 | 0 | 112 | P143 E144 I145 N150 H151 | P143-S147 WeakPolarHBondContact O-CB 3.24Å; P143-S147 PolarHBondContact O-N 3.34Å; E144-S147 PolarHBondContact O-N 3.3Å; I145-S147 VanDerWaalsContact C-N 3.29Å; I145-S147 PolarHBondContact O-N 3.46Å; S147-N150 PolarHBondContact O-N 2.87Å; S147-H151 WeakPolarHBondContact O-CB 3.48Å; S147-H151 PolarHBondContact O-N 3.02Å |
| 148 | V | 81.4 | Confident | 74.4 | Confident | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | W103 L117 E144 I145 H151 A152 | W103-V148 HydrophobicContact CH2-CB 4.1Å; W103-V148 HydrophobicContact CH2-CG1 4.27Å; W103-V148 HydrophobicContact CH2-CG2 3.82Å; W103-V148 HydrophobicContact CZ2-CG2 3.85Å; L117-V148 HydrophobicContact CB-CG1 4.04Å; L117-V148 HydrophobicContact CB-CG2 4.35Å; L117-V148 HydrophobicContact CD1-CG2 3.81Å; E144-V148 WeakPolarHBondContact O-CG2 3.34Å; E144-V148 PolarHBondContact O-N 3.42Å; I145-V148 PolarHBondContact O-N 2.87Å; I145-V148 VanDerWaalsContact O-N 3.16Å; V148-H151 PolarHBondContact O-N 2.93Å; V148-A152 WeakPolarHBondContact O-CB 3.39Å; V148-A152 PolarHBondContact O-N 3.47Å |
| 149 | L | 81 | Confident | 73.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -45 | 177 | -69.8 | 178.7 | 0 | 0 | 0 | 111.7 | L118 L121 I145 L146 A152 V153 V174 L178 L205 | L118-L149 HydrophobicContact CD1-CD2 4.29Å; L121-L149 HydrophobicContact CD1-CD2 4.44Å; I145-L149 HydrophobicContact CG2-CD1 3.71Å; I145-L149 HydrophobicContact CG2-CG 3.92Å; I145-L149 WeakPolarHBondContact O-CB 3.42Å; I145-L149 VanDerWaalsContact O-CG 3.24Å; I145-L149 WeakPolarHBondContact O-CG 3.31Å; I145-L149 PolarHBondContact O-N 3.27Å; L146-L149 PolarHBondContact O-N 3.29Å; L149-A152 PolarHBondContact O-N 3.38Å; L149-V153 WeakPolarHBondContact O-CG2 3.42Å; L149-V153 PolarHBondContact O-N 3.4Å; L149-V174 HydrophobicContact CB-CG1 4.49Å; L149-V174 HydrophobicContact CD1-CG1 4.2Å; L149-V174 HydrophobicContact CD2-CB 4.32Å; L149-V174 HydrophobicContact CD2-CG1 3.92Å; L149-V174 HydrophobicContact CD2-CG2 3.68Å; L149-V174 HydrophobicContact CG-CG1 4.44Å; L149-L178 HydrophobicContact CD1-CD2 4.08Å; L149-L178 HydrophobicContact CD1-CG 4.42Å; L149-L205 HydrophobicContact CB-CD2 3.77Å; L149-L205 HydrophobicContact CD1-CD2 4.36Å |
| 150 | N | 80.4 | Confident | 73 | Confident | 25 Ų | 25 | 43 Ų | 43 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.6 | -172.7 | 74.4 | 0 | 0 | 0 | 111.2 | L146 S147 A152 V153 D154 H204 | L146-N150 WeakPolarHBondContact O-CB 3.47Å; L146-N150 PolarHBondContact O-N 3.32Å; S147-N150 PolarHBondContact O-N 2.87Å; N150-A152 VanDerWaalsContact C-N 3.32Å; N150-A152 PolarHBondContact O-N 3.34Å; N150-V153 PolarHBondContact O-N 3.34Å; N150-D154 PolarHBondContact ND2-OD2 3.14Å; N150-D154 WeakPolarHBondContact O-CB 3.34Å; N150-D154 PolarHBondContact O-N 3.47Å; N150-H204 PolarHBondContact OD1-ND1 3.27Å |
| 151 | H | 80.5 | Confident | 72.2 | Confident | 73 Ų | 73 | 45 Ų | 45 | 34% | 0.338 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 173.5 | -174.2 | -98.6 | 0 | 0 | 0 | 111.8 | N114 S147 V148 D154 N155 | N114-H151 WeakPolarHBondContact CB-ND1 3.39Å; N114-H151 PolarHBondContact ND2-CE1 3.21Å; N114-H151 VanDerWaalsContact ND2-CE1 3.27Å; N114-H151 VanDerWaalsContact ND2-CG 3.32Å; N114-H151 PolarHBondContact ND2-ND1 3.07Å; N114-H151 VanDerWaalsContact ND2-ND1 3.12Å; S147-H151 WeakPolarHBondContact O-CB 3.48Å; S147-H151 PolarHBondContact O-N 3.02Å; V148-H151 PolarHBondContact O-N 2.93Å; H151-D154 PolarHBondContact O-N 3.49Å; H151-N155 PolarHBondContact CE1-ND2 2.95Å; H151-N155 PolarHBondContact ND1-ND2 2.9Å; H151-N155 PolarHBondContact NE2-ND2 3.41Å; H151-N155 VanDerWaalsContact NE2-ND2 3.19Å; H151-N155 WeakPolarHBondContact O-CB 3.49Å; H151-N155 PolarHBondContact O-N 2.99Å; H151-N155 PolarHBondContact O-ND2 2.98Å |
| 152 | A | 75.3 | Confident | 71.1 | Confident | 11 Ų | 11 | 49 Ų | 49 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L118 V148 L149 N150 T156 | L118-A152 HydrophobicContact CD1-CB 3.56Å; L118-A152 HydrophobicContact CD2-CB 3.85Å; L118-A152 HydrophobicContact CG-CB 4.29Å; V148-A152 WeakPolarHBondContact O-CB 3.39Å; V148-A152 PolarHBondContact O-N 3.47Å; L149-A152 PolarHBondContact O-N 3.38Å; N150-A152 VanDerWaalsContact C-N 3.32Å; N150-A152 PolarHBondContact O-N 3.34Å; A152-T156 WeakPolarHBondContact O-CB 3.38Å; A152-T156 PolarHBondContact O-N 3.44Å; A152-T156 PolarHBondContact O-OG1 3.44Å |
| 153 | V | 74.2 | Confident | 69.9 | Low | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | L149 N150 T156 D157 L205 K208 I212 | L149-V153 WeakPolarHBondContact O-CG2 3.42Å; L149-V153 PolarHBondContact O-N 3.4Å; N150-V153 PolarHBondContact O-N 3.34Å; V153-T156 WeakPolarHBondContact O-CB 3.31Å; V153-T156 PolarHBondContact O-N 2.9Å; V153-D157 PolarHBondContact O-N 2.95Å; V153-L205 HydrophobicContact CB-CD1 4.19Å; V153-L205 HydrophobicContact CG2-CD1 3.7Å; V153-K208 HydrophobicContact CG1-CB 4.25Å; V153-K208 HydrophobicContact CG1-CD 4.33Å; V153-I212 HydrophobicContact CG1-CD1 4.13Å |
| 154 | D | 75.8 | Confident | 68.9 | Low | 52 Ų | 52 | 56.1 Ų | 56.1 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 178.5 | -72 | -15.9 | 0 | 0 | 0 | 112.3 | N150 H151 T156 D157 T158 K208 | N150-D154 PolarHBondContact ND2-OD2 3.14Å; N150-D154 WeakPolarHBondContact O-CB 3.34Å; N150-D154 PolarHBondContact O-N 3.47Å; H151-D154 PolarHBondContact O-N 3.49Å; D154-T156 PolarHBondContact O-N 3.07Å; D154-D157 PolarHBondContact O-N 2.92Å; D154-T158 WeakPolarHBondContact O-CG2 3.35Å; D154-T158 PolarHBondContact O-N 3.12Å; D154-K208 IonicContact OD1-NZ 2.86Å; D154-K208 PolarHBondContact OD1-NZ 3.25Å |
| 155 | N | 67.9 | Low | 67.9 | Low | 65 Ų | 65 | 61.1 Ų | 61.1 | 35% | 0.348 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -34.9 | 175.7 | -74.6 | -70.6 | 0 | 0 | 0 | 111.6 | H151 D157 T158 I159 | H151-N155 PolarHBondContact CE1-ND2 2.95Å; H151-N155 PolarHBondContact ND1-ND2 2.9Å; H151-N155 PolarHBondContact NE2-ND2 3.41Å; H151-N155 VanDerWaalsContact NE2-ND2 3.19Å; H151-N155 WeakPolarHBondContact O-CB 3.49Å; H151-N155 PolarHBondContact O-N 2.99Å; H151-N155 PolarHBondContact O-ND2 2.98Å; N155-D157 VanDerWaalsContact C-N 3.32Å; N155-D157 PolarHBondContact O-N 3.21Å; N155-T158 PolarHBondContact O-N 2.67Å; N155-T158 PolarHBondContact O-OG1 2.98Å; N155-I159 WeakPolarHBondContact O-CD1 3.32Å; N155-I159 VanDerWaalsContact O-CG1 3.23Å; N155-I159 WeakPolarHBondContact O-CG1 3.5Å; N155-I159 PolarHBondContact O-N 3.29Å |
| 156 | T | 62.9 | Low | 67.2 | Low | 26 Ų | 26 | 65.9 Ų | 65.9 | 16% | 0.16 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 177.5 | -57 | 0 | 0 | 0 | 0 | 111.1 | A152 V153 D154 I159 L160 I167 | A152-T156 WeakPolarHBondContact O-CB 3.38Å; A152-T156 PolarHBondContact O-N 3.44Å; A152-T156 PolarHBondContact O-OG1 3.44Å; V153-T156 WeakPolarHBondContact O-CB 3.31Å; V153-T156 PolarHBondContact O-N 2.9Å; D154-T156 PolarHBondContact O-N 3.07Å; T156-I159 CarbonylContact O-C 3.54Å; T156-I159 WeakPolarHBondContact O-CA 3.37Å; T156-I159 PolarHBondContact O-N 2.89Å; T156-I159 VanDerWaalsContact O-N 3.12Å; T156-L160 PolarHBondContact O-N 2.9Å; T156-I167 HydrophobicContact CG2-CB 3.8Å; T156-I167 HydrophobicContact CG2-CD1 4.01Å; T156-I167 HydrophobicContact CG2-CG1 3.46Å; T156-I167 VanDerWaalsContact CG2-CG1 3.46Å; T156-I167 HydrophobicContact CG2-CG2 3.66Å |
| 157 | D | 58.3 | Low | 66.4 | Low | 73 Ų | 73 | 66.7 Ų | 66.7 | 39% | 0.39 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.1 | -31.2 | 175.2 | -147.2 | 18.8 | 0 | 0 | 0 | 112.2 | V153 D154 N155 I159 L160 | V153-D157 PolarHBondContact O-N 2.95Å; D154-D157 PolarHBondContact O-N 2.92Å; N155-D157 VanDerWaalsContact C-N 3.32Å; N155-D157 PolarHBondContact O-N 3.21Å; D157-I159 PolarHBondContact O-N 3.24Å; D157-L160 WeakPolarHBondContact O-CB 3.36Å; D157-L160 PolarHBondContact O-N 3.36Å |
| 158 | T | 56.5 | Low | 65.8 | Low | 106 Ų | 106 | 65.2 Ų | 65.2 | 65% | 0.65 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -67.1 | -25 | 169.7 | 64.9 | 0 | 0 | 0 | 0 | 112.8 | D154 N155 L160 | D154-T158 WeakPolarHBondContact O-CG2 3.35Å; D154-T158 PolarHBondContact O-N 3.12Å; N155-T158 PolarHBondContact O-N 2.67Å; N155-T158 PolarHBondContact O-OG1 2.98Å; T158-L160 VanDerWaalsContact C-N 3.28Å; T158-L160 PolarHBondContact O-N 2.92Å |
| 159 | I | 51.2 | Low | 65.4 | Low | 92 Ų | 92 | 68.1 Ų | 68.1 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 19.9 | 178.6 | -55.7 | 161.8 | 0 | 0 | 0 | 111 | N155 T156 D157 S161 S162 | N155-I159 WeakPolarHBondContact O-CD1 3.32Å; N155-I159 VanDerWaalsContact O-CG1 3.23Å; N155-I159 WeakPolarHBondContact O-CG1 3.5Å; N155-I159 PolarHBondContact O-N 3.29Å; T156-I159 CarbonylContact O-C 3.54Å; T156-I159 WeakPolarHBondContact O-CA 3.37Å; T156-I159 PolarHBondContact O-N 2.89Å; T156-I159 VanDerWaalsContact O-N 3.12Å; D157-I159 PolarHBondContact O-N 3.24Å; I159-S161 PolarHBondContact O-N 2.91Å; I159-S162 WeakPolarHBondContact CG2-OG 3.42Å; I159-S162 PolarHBondContact O-N 3.4Å |
| 160 | L | 47.4 | Very low | 65.2 | Low | 113 Ų | 113 | 69.3 Ų | 69.3 | 59% | 0.592 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 1.1 | 170.3 | -166.3 | 68.8 | 0 | 0 | 0 | 114 | T156 D157 T158 | T156-L160 PolarHBondContact O-N 2.9Å; D157-L160 WeakPolarHBondContact O-CB 3.36Å; D157-L160 PolarHBondContact O-N 3.36Å; T158-L160 VanDerWaalsContact C-N 3.28Å; T158-L160 PolarHBondContact O-N 2.92Å |
| 161 | S | 54.2 | Low | 64.9 | Low | 122 Ų | 122 | 68.8 Ų | 68.8 | 85% | 0.853 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -7.4 | 177.1 | -61.5 | 0 | 0 | 0 | 0 | 116.2 | I159 | I159-S161 PolarHBondContact O-N 2.91Š|
| 162 | S | 51.5 | Low | 64.7 | Low | 96 Ų | 96 | 67.9 Ų | 67.9 | 67% | 0.671 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | -24.9 | -171.8 | 58.6 | 0 | 0 | 0 | 0 | 120.9 | I159 | I159-S162 WeakPolarHBondContact CG2-OG 3.42Å; I159-S162 PolarHBondContact O-N 3.4Å |
| 163 | S | 56.6 | Low | 64.8 | Low | 57 Ų | 57 | 71.4 Ų | 71.4 | 40% | 0.399 | 40% | 0.395 | S | S | . | . | trans | -174.6 | 115 | 171.8 | -170.5 | 0 | 0 | 0 | 0 | 113.8 | Y165 | S163-Y165 PolarHBondContact O-N 2.9Š| ||
| 164 | D | 60.1 | Low | 65.1 | Low | 117 Ų | 117 | 71.2 Ų | 71.2 | 63% | 0.626 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.9 | -25.1 | 177.5 | -66.7 | -22.8 | 0 | 0 | 0 | 114.1 | I167 N168 | D164-I167 PolarHBondContact O-N 3.43Å; D164-N168 PolarHBondContact O-N 3.22Å |
| 165 | Y | 62.5 | Low | 65.2 | Low | 168 Ų | 168 | 69.1 Ų | 69.1 | 66% | 0.659 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68.1 | -41.6 | -173.6 | -178.3 | -105.1 | 0 | 0 | 0 | 113.1 | S163 I167 N168 I169 | S163-Y165 PolarHBondContact O-N 2.9Å; Y165-I167 VanDerWaalsContact C-N 3.32Å; Y165-I167 PolarHBondContact O-N 2.84Å; Y165-N168 PolarHBondContact O-N 3.4Å; Y165-I169 HydrophobicContact CD1-CD1 4.01Å; Y165-I169 HydrophobicContact CE1-CD1 3.5Å; Y165-I169 PolarHBondContact O-N 2.71Å |
| 166 | N | 66.4 | Low | 65.7 | Low | 99 Ų | 99 | 70.8 Ų | 70.8 | 53% | 0.529 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.3 | -34.4 | 179.6 | -71.3 | -35.6 | 0 | 0 | 0 | 111.5 | N168 I169 V170 | N166-N168 VanDerWaalsContact C-N 3.34Å; N166-N168 PolarHBondContact O-N 3.46Å; N166-I169 PolarHBondContact O-N 2.9Å; N166-V170 WeakPolarHBondContact O-CG2 3.5Å; N166-V170 PolarHBondContact O-N 2.9Å; N166-V170 VanDerWaalsContact O-N 3.07Å |
| 167 | I | 67.6 | Low | 66.7 | Low | 21 Ų | 21 | 69.8 Ų | 69.8 | 11% | 0.108 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 178.2 | -52.1 | -170.1 | 0 | 0 | 0 | 110.1 | T156 D164 Y165 I169 V170 I171 I212 | T156-I167 HydrophobicContact CG2-CB 3.8Å; T156-I167 HydrophobicContact CG2-CD1 4.01Å; T156-I167 HydrophobicContact CG2-CG1 3.46Å; T156-I167 VanDerWaalsContact CG2-CG1 3.46Å; T156-I167 HydrophobicContact CG2-CG2 3.66Å; D164-I167 PolarHBondContact O-N 3.43Å; Y165-I167 VanDerWaalsContact C-N 3.32Å; Y165-I167 PolarHBondContact O-N 2.84Å; I167-I169 VanDerWaalsContact C-N 3.35Å; I167-I169 PolarHBondContact O-N 2.97Å; I167-V170 PolarHBondContact O-N 3.36Å; I167-I171 HydrophobicContact CG2-CD1 3.62Å; I167-I171 HydrophobicContact CG2-CG1 4.38Å; I167-I171 WeakPolarHBondContact O-CG1 3.37Å; I167-I171 PolarHBondContact O-N 2.91Å; I167-I212 HydrophobicContact CG2-CG2 4.35Å |
| 168 | N | 70 | Confident | 67.7 | Low | 45 Ų | 45 | 66.5 Ų | 66.5 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 179.3 | -171.1 | 4.2 | 0 | 0 | 0 | 112.2 | D164 Y165 N166 V170 I171 S172 L216 L218 | D164-N168 PolarHBondContact O-N 3.22Å; Y165-N168 PolarHBondContact O-N 3.4Å; N166-N168 VanDerWaalsContact C-N 3.34Å; N166-N168 PolarHBondContact O-N 3.46Å; N168-V170 PolarHBondContact O-N 3.1Å; N168-I171 PolarHBondContact O-N 3.37Å; N168-S172 VanDerWaalsContact O-CB 3.22Å; N168-S172 WeakPolarHBondContact O-CB 3.35Å; N168-S172 PolarHBondContact O-N 3.15Å; N168-S172 PolarHBondContact O-OG 3.39Å; N168-S172 PolarHBondContact OD1-OG 3.31Å; N168-L216 HydrophobicContact CB-CD2 3.73Å; N168-L216 VanDerWaalsContact CG-CD2 3.43Å; N168-L218 VanDerWaalsContact OD1-CD1 3.28Å; N168-L218 WeakPolarHBondContact OD1-CD1 3.42Å |
| 169 | I | 74.3 | Confident | 68.8 | Low | 66 Ų | 66 | 62.2 Ų | 62.2 | 34% | 0.338 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 178.9 | -65.3 | 170.8 | 0 | 0 | 0 | 110.9 | Y165 N166 I167 K173 | Y165-I169 HydrophobicContact CD1-CD1 4.01Å; Y165-I169 HydrophobicContact CE1-CD1 3.5Å; Y165-I169 PolarHBondContact O-N 2.71Å; N166-I169 PolarHBondContact O-N 2.9Å; I167-I169 VanDerWaalsContact C-N 3.35Å; I167-I169 PolarHBondContact O-N 2.97Å; I169-K173 HydrophobicContact CG2-CD 4.33Å; I169-K173 WeakPolarHBondContact O-CB 3.43Å; I169-K173 WeakPolarHBondContact O-CG 3.24Å; I169-K173 PolarHBondContact O-N 2.83Å |
| 170 | V | 75.1 | Confident | 70.1 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.4 | -51.7 | 179.2 | 170 | 0 | 0 | 0 | 0 | 109.7 | F122 N166 I167 N168 S172 K173 V174 | F122-V170 HydrophobicContact CE2-CG2 4.29Å; F122-V170 HydrophobicContact CZ-CG1 4.12Å; N166-V170 WeakPolarHBondContact O-CG2 3.5Å; N166-V170 PolarHBondContact O-N 2.9Å; N166-V170 VanDerWaalsContact O-N 3.07Å; I167-V170 PolarHBondContact O-N 3.36Å; N168-V170 PolarHBondContact O-N 3.1Å; V170-S172 PolarHBondContact O-N 2.96Å; V170-K173 PolarHBondContact O-N 3.21Å; V170-V174 HydrophobicContact CG1-CG2 4.4Å; V170-V174 VanDerWaalsContact O-CG2 3.31Å; V170-V174 WeakPolarHBondContact O-CG2 3.17Å; V170-V174 PolarHBondContact O-N 3.41Å |
| 171 | I | 75.6 | Confident | 71.7 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 8% | 0.077 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | -177.7 | -66.5 | 173.2 | 0 | 0 | 0 | 111.7 | I167 N168 K173 V174 S175 I209 I212 | I167-I171 HydrophobicContact CG2-CD1 3.62Å; I167-I171 HydrophobicContact CG2-CG1 4.38Å; I167-I171 WeakPolarHBondContact O-CG1 3.37Å; I167-I171 PolarHBondContact O-N 2.91Å; N168-I171 PolarHBondContact O-N 3.37Å; I171-K173 VanDerWaalsContact C-N 3.32Å; I171-K173 PolarHBondContact O-N 3.4Å; I171-V174 PolarHBondContact O-N 3.02Å; I171-S175 WeakPolarHBondContact O-CB 3.26Å; I171-S175 PolarHBondContact O-N 3.22Å; I171-I209 HydrophobicContact CG2-CG2 4.01Å; I171-I212 HydrophobicContact CD1-CB 3.72Å; I171-I212 HydrophobicContact CD1-CD1 3.58Å; I171-I212 HydrophobicContact CD1-CG1 4.23Å; I171-I212 HydrophobicContact CD1-CG2 3.2Å |
| 172 | S | 76.1 | Confident | 72.9 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 38% | 0.378 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 175.4 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | N168 V170 S175 M176 | N168-S172 VanDerWaalsContact O-CB 3.22Å; N168-S172 WeakPolarHBondContact O-CB 3.35Å; N168-S172 PolarHBondContact O-N 3.15Å; N168-S172 PolarHBondContact O-OG 3.39Å; N168-S172 PolarHBondContact OD1-OG 3.31Å; V170-S172 PolarHBondContact O-N 2.96Å; S172-S175 PolarHBondContact O-N 3.31Å; S172-M176 WeakPolarHBondContact O-CB 3.21Å; S172-M176 PolarHBondContact O-N 3.18Å |
| 173 | K | 77.7 | Confident | 74.2 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 37% | 0.365 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 175.9 | -74 | -174.6 | 178.6 | -167.4 | 0 | 112.6 | F122 I169 V170 I171 S175 M176 I177 | F122-K173 HydrophobicContact CB-CD 4.14Å; F122-K173 HydrophobicContact CD1-CB 3.81Å; F122-K173 HydrophobicContact CD1-CD 3.75Å; F122-K173 HydrophobicContact CD1-CG 4.42Å; F122-K173 HydrophobicContact CD2-CD 4.02Å; F122-K173 HydrophobicContact CE1-CB 3.5Å; F122-K173 VanDerWaalsContact CE1-CB 3.5Å; F122-K173 HydrophobicContact CE1-CD 4.08Å; F122-K173 HydrophobicContact CE1-CG 4.46Å; F122-K173 HydrophobicContact CE2-CD 4.31Å; F122-K173 HydrophobicContact CG-CD 3.72Å; F122-K173 HydrophobicContact CZ-CB 4.04Å; F122-K173 HydrophobicContact CZ-CD 4.34Å; I169-K173 HydrophobicContact CG2-CD 4.33Å; I169-K173 WeakPolarHBondContact O-CB 3.43Å; I169-K173 WeakPolarHBondContact O-CG 3.24Å; I169-K173 PolarHBondContact O-N 2.83Å; V170-K173 PolarHBondContact O-N 3.21Å; I171-K173 VanDerWaalsContact C-N 3.32Å; I171-K173 PolarHBondContact O-N 3.4Å; K173-S175 VanDerWaalsContact C-N 3.33Å; K173-S175 PolarHBondContact O-N 3.33Å; K173-M176 WeakPolarHBondContact O-CB 3.32Å; K173-M176 PolarHBondContact O-N 3.17Å; K173-I177 VanDerWaalsContact O-CG1 3.25Å; K173-I177 WeakPolarHBondContact O-CG1 3.25Å; K173-I177 PolarHBondContact O-N 3.41Å |
| 174 | V | 79.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 177 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | F122 L149 V170 I171 M176 I177 L178 I209 | F122-V174 HydrophobicContact CE1-CG2 4.18Å; F122-V174 HydrophobicContact CZ-CG2 4.26Å; L149-V174 HydrophobicContact CB-CG1 4.49Å; L149-V174 HydrophobicContact CD1-CG1 4.2Å; L149-V174 HydrophobicContact CD2-CB 4.32Å; L149-V174 HydrophobicContact CD2-CG1 3.92Å; L149-V174 HydrophobicContact CD2-CG2 3.68Å; L149-V174 HydrophobicContact CG-CG1 4.44Å; V170-V174 HydrophobicContact CG1-CG2 4.4Å; V170-V174 VanDerWaalsContact O-CG2 3.31Å; V170-V174 WeakPolarHBondContact O-CG2 3.17Å; V170-V174 PolarHBondContact O-N 3.41Å; I171-V174 PolarHBondContact O-N 3.02Å; V174-M176 VanDerWaalsContact C-N 3.34Å; V174-M176 PolarHBondContact O-N 3.46Å; V174-I177 PolarHBondContact O-N 3.15Å; V174-L178 HydrophobicContact CG1-CD1 4.14Å; V174-L178 HydrophobicContact CG1-CG 4.49Å; V174-L178 WeakPolarHBondContact O-CG 3.48Å; V174-L178 PolarHBondContact O-N 2.86Å; V174-I209 HydrophobicContact CG1-CD1 3.87Å |
| 175 | S | 77.9 | Confident | 76.2 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 174.2 | -172 | 0 | 0 | 0 | 0 | 111.4 | I171 S172 K173 I177 L178 A179 | I171-S175 WeakPolarHBondContact O-CB 3.26Å; I171-S175 PolarHBondContact O-N 3.22Å; S172-S175 PolarHBondContact O-N 3.31Å; K173-S175 VanDerWaalsContact C-N 3.33Å; K173-S175 PolarHBondContact O-N 3.33Å; S175-I177 PolarHBondContact O-N 2.9Å; S175-L178 PolarHBondContact O-N 3.21Å; S175-A179 WeakPolarHBondContact O-CB 3.04Å; S175-A179 PolarHBondContact O-N 3.36Å |
| 176 | M | 79.4 | Confident | 76.9 | Confident | 101 Ų | 101 | 47.8 Ų | 47.8 | 50% | 0.498 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.7 | -44 | 176.9 | -167.1 | -177.5 | -154.9 | 0 | 0 | 112.1 | N126 S172 K173 V174 A179 S180 | N126-M176 WeakPolarHBondContact ND2-CE 3.49Å; S172-M176 WeakPolarHBondContact O-CB 3.21Å; S172-M176 PolarHBondContact O-N 3.18Å; K173-M176 WeakPolarHBondContact O-CB 3.32Å; K173-M176 PolarHBondContact O-N 3.17Å; V174-M176 VanDerWaalsContact C-N 3.34Å; V174-M176 PolarHBondContact O-N 3.46Å; M176-A179 PolarHBondContact O-N 2.76Å; M176-S180 PolarHBondContact O-N 2.94Å; M176-S180 PolarHBondContact O-OG 3.01Å |
| 177 | I | 82.1 | Confident | 77.6 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 177.3 | -69.5 | 166.1 | 0 | 0 | 0 | 110.7 | L121 F122 L129 K173 V174 S175 A179 S180 F181 | L121-I177 HydrophobicContact CB-CD1 4.11Å; F122-I177 HydrophobicContact CD1-CD1 3.8Å; F122-I177 HydrophobicContact CE1-CD1 3.94Å; L129-I177 HydrophobicContact CD1-CB 4.43Å; L129-I177 HydrophobicContact CD1-CG1 3.82Å; L129-I177 HydrophobicContact CD1-CG2 4.26Å; K173-I177 VanDerWaalsContact O-CG1 3.25Å; K173-I177 WeakPolarHBondContact O-CG1 3.25Å; K173-I177 PolarHBondContact O-N 3.41Å; V174-I177 PolarHBondContact O-N 3.15Å; S175-I177 PolarHBondContact O-N 2.9Å; I177-A179 VanDerWaalsContact C-N 3.28Å; I177-A179 PolarHBondContact O-N 3.49Å; I177-S180 WeakPolarHBondContact O-CB 3.48Å; I177-S180 PolarHBondContact O-N 2.91Å; I177-S180 VanDerWaalsContact O-N 3.15Å; I177-F181 HydrophobicContact CG2-CD1 4.43Å; I177-F181 HydrophobicContact CG2-CD2 3.98Å; I177-F181 HydrophobicContact CG2-CE1 3.97Å; I177-F181 HydrophobicContact CG2-CE2 3.39Å; I177-F181 HydrophobicContact CG2-CG 4.48Å; I177-F181 HydrophobicContact CG2-CZ 3.4Å; I177-F181 VanDerWaalsContact CG2-CZ 3.4Å; I177-F181 VanDerWaalsContact O-CG 3.26Å; I177-F181 WeakPolarHBondContact O-CG 3.43Å; I177-F181 PolarHBondContact O-N 3.06Å |
| 178 | L | 80.3 | Confident | 78.2 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 177.3 | -70.8 | 174 | 0 | 0 | 0 | 111.5 | L146 L149 V174 S175 F181 Q182 I209 I229 | L146-L178 HydrophobicContact CD2-CD2 4.33Å; L149-L178 HydrophobicContact CD1-CD2 4.08Å; L149-L178 HydrophobicContact CD1-CG 4.42Å; V174-L178 HydrophobicContact CG1-CD1 4.14Å; V174-L178 HydrophobicContact CG1-CG 4.49Å; V174-L178 WeakPolarHBondContact O-CG 3.48Å; V174-L178 PolarHBondContact O-N 2.86Å; S175-L178 PolarHBondContact O-N 3.21Å; L178-F181 HydrophobicContact CD2-CD2 4.48Å; L178-F181 PolarHBondContact O-N 3.21Å; L178-Q182 PolarHBondContact O-N 3.04Å; L178-I209 HydrophobicContact CD1-CD1 3.95Å; L178-I229 HydrophobicContact CB-CD1 4.08Å |
| 179 | A | 80.1 | Confident | 78.7 | Confident | 16 Ų | 16 | 47.8 Ų | 47.8 | 13% | 0.132 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.7 | -38.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S175 M176 I177 Q182 K183 | S175-A179 WeakPolarHBondContact O-CB 3.04Å; S175-A179 PolarHBondContact O-N 3.36Å; M176-A179 PolarHBondContact O-N 2.76Å; I177-A179 VanDerWaalsContact C-N 3.28Å; I177-A179 PolarHBondContact O-N 3.49Å; A179-Q182 PolarHBondContact O-N 2.53Å; A179-K183 PolarHBondContact O-N 2.98Å |
| 180 | S | 78.2 | Confident | 79 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 173.1 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | N126 M176 I177 K183 | N126-S180 WeakPolarHBondContact CB-OG 3.37Å; N126-S180 PolarHBondContact OD1-OG 3.2Å; M176-S180 PolarHBondContact O-N 2.94Å; M176-S180 PolarHBondContact O-OG 3.01Å; I177-S180 WeakPolarHBondContact O-CB 3.48Å; I177-S180 PolarHBondContact O-N 2.91Å; I177-S180 VanDerWaalsContact O-N 3.15Å; S180-K183 PolarHBondContact O-N 3.46Å |
| 181 | F | 81 | Confident | 79.3 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 175.8 | -64.7 | -17.6 | 0 | 0 | 0 | 112 | L129 F133 I145 I177 L178 K183 S184 F187 | L129-F181 HydrophobicContact CB-CD1 4.06Å; L129-F181 HydrophobicContact CB-CE1 3.66Å; L129-F181 HydrophobicContact CD2-CE1 3.74Å; L129-F181 HydrophobicContact CD2-CZ 4.12Å; L129-F181 HydrophobicContact CG-CE1 4.2Å; L129-F181 WeakPolarHBondContact O-CD1 3.38Å; F133-F181 HydrophobicContact CD2-CD1 4.27Å; F133-F181 HydrophobicContact CE2-CB 3.93Å; F133-F181 AromaticContact CE2-CD1 3.44Å; F133-F181 HydrophobicContact CE2-CD1 3.44Å; F133-F181 VanDerWaalsContact CE2-CD1 3.44Å; F133-F181 HydrophobicContact CE2-CD2 4.1Å; F133-F181 AromaticContact CE2-CE1 3.77Å; F133-F181 HydrophobicContact CE2-CE1 3.77Å; F133-F181 HydrophobicContact CE2-CE2 4.44Å; F133-F181 AromaticContact CE2-CG 3.58Å; F133-F181 HydrophobicContact CE2-CG 3.58Å; F133-F181 HydrophobicContact CE2-CZ 4.27Å; F133-F181 HydrophobicContact CZ-CD1 4.34Å; F133-F181 HydrophobicContact CZ-CD2 4.31Å; F133-F181 HydrophobicContact CZ-CE1 4.42Å; F133-F181 HydrophobicContact CZ-CE2 4.47Å; F133-F181 HydrophobicContact CZ-CG 4.23Å; I145-F181 HydrophobicContact CD1-CE2 3.77Å; I145-F181 HydrophobicContact CD1-CZ 3.65Å; I145-F181 HydrophobicContact CG2-CE2 3.77Å; I145-F181 HydrophobicContact CG2-CZ 4.21Å; I177-F181 HydrophobicContact CG2-CD1 4.43Å; I177-F181 HydrophobicContact CG2-CD2 3.98Å; I177-F181 HydrophobicContact CG2-CE1 3.97Å; I177-F181 HydrophobicContact CG2-CE2 3.39Å; I177-F181 HydrophobicContact CG2-CG 4.48Å; I177-F181 HydrophobicContact CG2-CZ 3.4Å; I177-F181 VanDerWaalsContact CG2-CZ 3.4Å; I177-F181 VanDerWaalsContact O-CG 3.26Å; I177-F181 WeakPolarHBondContact O-CG 3.43Å; I177-F181 PolarHBondContact O-N 3.06Å; L178-F181 HydrophobicContact CD2-CD2 4.48Å; L178-F181 PolarHBondContact O-N 3.21Å; F181-K183 PolarHBondContact O-N 3.48Å; F181-S184 WeakPolarHBondContact O-CB 3.44Å; F181-S184 PolarHBondContact O-N 3.31Å; F181-F187 HydrophobicContact CB-CD2 3.88Å; F181-F187 HydrophobicContact CB-CE2 3.89Å; F181-F187 WeakPolarHBondContact O-CB 3.06Å; F181-F187 WeakPolarHBondContact O-CD2 3.14Å; F181-F187 WeakPolarHBondContact O-CG 3.29Å |
| 182 | Q | 79.7 | Confident | 79.5 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.7 | -32 | 177.3 | -166.1 | -169.5 | 6.5 | 0 | 0 | 113.3 | L178 A179 S184 I229 | L178-Q182 PolarHBondContact O-N 3.04Å; A179-Q182 PolarHBondContact O-N 2.53Å; Q182-S184 PolarHBondContact O-N 3.44Å; Q182-I229 HydrophobicContact CB-CD1 4.33Å; Q182-I229 HydrophobicContact CB-CG1 3.99Å; Q182-I229 HydrophobicContact CG-CG1 3.96Å |
| 183 | K | 78.2 | Confident | 79.8 | Confident | 144 Ų | 144 | 46.4 Ų | 46.4 | 63% | 0.626 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -18 | 177.2 | -68 | 178.6 | -178.8 | -179.1 | 0 | 113 | E130 A179 S180 F181 | E130-K183 HydrophobicContact CG-CB 3.85Å; A179-K183 PolarHBondContact O-N 2.98Å; S180-K183 PolarHBondContact O-N 3.46Å; F181-K183 PolarHBondContact O-N 3.48Å |
| 184 | S | 80.4 | Confident | 80 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -69.1 | 135.3 | -179.2 | -160.7 | 0 | 0 | 0 | 0 | 112.1 | E130 F133 N134 F181 Q182 Q186 F187 | E130-S184 WeakPolarHBondContact O-CB 3.46Å; E130-S184 PolarHBondContact O-OG 3.37Å; F133-S184 WeakPolarHBondContact CB-OG 3.41Å; N134-S184 PolarHBondContact OD1-OG 2.99Å; F181-S184 WeakPolarHBondContact O-CB 3.44Å; F181-S184 PolarHBondContact O-N 3.31Å; Q182-S184 PolarHBondContact O-N 3.44Å; S184-Q186 PolarHBondContact O-N 3.36Å; S184-F187 WeakPolarHBondContact O-CB 3.42Å; S184-F187 PolarHBondContact O-N 2.71Å; S184-F187 VanDerWaalsContact O-N 3.1Å |
| 185 | K | 77.3 | Confident | 80.1 | Confident | 191 Ų | 191 | 48 Ų | 48 | 83% | 0.83 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -31.3 | -177.8 | -64.4 | -178.7 | -179.4 | 177.9 | 0 | 112.7 | N134 | N134-K185 PolarHBondContact OD1-N 3.1Š|
| 186 | Q | 78.4 | Confident | 80.3 | Confident | 62 Ų | 62 | 53.3 Ų | 53.3 | 29% | 0.29 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 5 | -179 | -64.1 | -173.1 | 34.3 | 0 | 0 | 113.1 | F133 N134 S184 L189 A190 | F133-Q186 HydrophobicContact CB-CB 4.08Å; F133-Q186 WeakPolarHBondContact O-CB 3.26Å; F133-Q186 PolarHBondContact O-OE1 3.35Å; N134-Q186 PolarHBondContact O-NE2 3.12Å; S184-Q186 PolarHBondContact O-N 3.36Å; Q186-L189 PolarHBondContact O-N 3.35Å; Q186-A190 WeakPolarHBondContact O-CB 3.41Å; Q186-A190 PolarHBondContact O-N 3.37Å |
| 187 | F | 80 | Confident | 80.4 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.022 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 178.2 | -178.2 | -103.8 | 0 | 0 | 0 | 112.1 | L142 F181 S184 L189 A190 V191 T232 F233 | L142-F187 HydrophobicContact CD1-CE2 4.03Å; L142-F187 HydrophobicContact CD2-CE2 4.33Å; F181-F187 HydrophobicContact CB-CD2 3.88Å; F181-F187 HydrophobicContact CB-CE2 3.89Å; F181-F187 WeakPolarHBondContact O-CB 3.06Å; F181-F187 WeakPolarHBondContact O-CD2 3.14Å; F181-F187 WeakPolarHBondContact O-CG 3.29Å; S184-F187 WeakPolarHBondContact O-CB 3.42Å; S184-F187 PolarHBondContact O-N 2.71Å; S184-F187 VanDerWaalsContact O-N 3.1Å; F187-L189 VanDerWaalsContact C-N 3.3Å; F187-L189 PolarHBondContact O-N 3Å; F187-A190 WeakPolarHBondContact O-CB 3.49Å; F187-A190 PolarHBondContact O-N 2.83Å; F187-A190 VanDerWaalsContact O-N 3.11Å; F187-V191 HydrophobicContact CD1-CG2 4.09Å; F187-V191 HydrophobicContact CD2-CG2 4.49Å; F187-V191 HydrophobicContact CE1-CG2 3.68Å; F187-V191 HydrophobicContact CE2-CG2 4.12Å; F187-V191 HydrophobicContact CG-CG2 4.49Å; F187-V191 HydrophobicContact CZ-CG2 3.69Å; F187-V191 WeakPolarHBondContact O-CG2 3.5Å; F187-V191 PolarHBondContact O-N 3.41Å; F187-T232 HydrophobicContact CD1-CG2 4.36Å; F187-T232 HydrophobicContact CE1-CG2 4.08Å; F187-F233 HydrophobicContact CZ-CE2 4.35Å; F187-F233 AromaticContact CZ-CZ 3.99Å; F187-F233 HydrophobicContact CZ-CZ 3.99Å |
| 188 | S | 80.8 | Confident | 80.5 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 46% | 0.462 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.4 | -46 | 176.1 | -168 | 0 | 0 | 0 | 0 | 111.4 | A190 V191 D192 | S188-A190 VanDerWaalsContact C-N 3.35Å; S188-A190 PolarHBondContact O-N 3.31Å; S188-V191 PolarHBondContact O-N 3.35Å; S188-D192 VanDerWaalsContact O-CG 3.31Å; S188-D192 PolarHBondContact O-N 3.34Å |
| 189 | L | 80.7 | Confident | 80.6 | Confident | 94 Ų | 94 | 54.5 Ų | 54.5 | 49% | 0.492 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 177.2 | -176.9 | 67.1 | 0 | 0 | 0 | 111.8 | Q186 F187 V191 D192 C193 | Q186-L189 PolarHBondContact O-N 3.35Å; F187-L189 VanDerWaalsContact C-N 3.3Å; F187-L189 PolarHBondContact O-N 3Å; L189-V191 VanDerWaalsContact C-N 3.29Å; L189-V191 PolarHBondContact O-N 3.22Å; L189-D192 PolarHBondContact O-N 3.12Å; L189-C193 PolarHBondContact O-N 3.17Å; L189-C193 VanDerWaalsContact O-N 3.16Å; L189-C193 PolarHBondContact O-SG 3.5Å; L189-C193 VanDerWaalsContact O-SG 3.4Å |
| 190 | A | 80.5 | Confident | 80.7 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63 | -37 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F133 L142 Q186 F187 S188 | F133-A190 HydrophobicContact CD1-CB 3.81Å; F133-A190 HydrophobicContact CE1-CB 4.29Å; L142-A190 HydrophobicContact CD2-CB 3.89Å; Q186-A190 WeakPolarHBondContact O-CB 3.41Å; Q186-A190 PolarHBondContact O-N 3.37Å; F187-A190 WeakPolarHBondContact O-CB 3.49Å; F187-A190 PolarHBondContact O-N 2.83Å; F187-A190 VanDerWaalsContact O-N 3.11Å; S188-A190 VanDerWaalsContact C-N 3.35Å; S188-A190 PolarHBondContact O-N 3.31Å |
| 191 | V | 80.6 | Confident | 80.8 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 174.9 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | L142 F187 S188 L189 C193 L194 T232 F233 | L142-V191 HydrophobicContact CD2-CG2 4Å; F187-V191 HydrophobicContact CD1-CG2 4.09Å; F187-V191 HydrophobicContact CD2-CG2 4.49Å; F187-V191 HydrophobicContact CE1-CG2 3.68Å; F187-V191 HydrophobicContact CE2-CG2 4.12Å; F187-V191 HydrophobicContact CG-CG2 4.49Å; F187-V191 HydrophobicContact CZ-CG2 3.69Å; F187-V191 WeakPolarHBondContact O-CG2 3.5Å; F187-V191 PolarHBondContact O-N 3.41Å; S188-V191 PolarHBondContact O-N 3.35Å; L189-V191 VanDerWaalsContact C-N 3.29Å; L189-V191 PolarHBondContact O-N 3.22Å; V191-C193 PolarHBondContact O-N 2.71Å; V191-L194 VanDerWaalsContact O-CB 3.32Å; V191-L194 WeakPolarHBondContact O-CB 3.23Å; V191-L194 PolarHBondContact O-N 3.29Å; V191-L194 VanDerWaalsContact O-N 3.12Å; V191-T232 HydrophobicContact CG1-CG2 4.49Å; V191-T232 HydrophobicContact CG2-CG2 4.4Å; V191-F233 HydrophobicContact CB-CE1 4.47Å; V191-F233 HydrophobicContact CG1-CD1 3.67Å; V191-F233 HydrophobicContact CG1-CE1 4.02Å; V191-F233 HydrophobicContact CG1-CG 4.48Å; V191-F233 HydrophobicContact CG2-CD1 4.17Å; V191-F233 HydrophobicContact CG2-CE1 3.7Å; V191-F233 HydrophobicContact CG2-CZ 4.21Å |
| 192 | D | 80.6 | Confident | 80.9 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.7 | -29.3 | 178 | -69.2 | -27.8 | 0 | 0 | 0 | 112.7 | S188 L189 L194 S236 | S188-D192 VanDerWaalsContact O-CG 3.31Å; S188-D192 PolarHBondContact O-N 3.34Å; L189-D192 PolarHBondContact O-N 3.12Å; D192-L194 VanDerWaalsContact C-N 3.32Å; D192-S236 WeakPolarHBondContact OD1-CB 3.32Å |
| 193 | C | 81.7 | Confident | 81 | Confident | 69 Ų | 69 | 61.9 Ų | 61.9 | 47% | 0.466 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -0.6 | 176.1 | -65.4 | 0 | 0 | 0 | 0 | 114.4 | V139 L189 V191 | V139-C193 HydrophobicContact CB-CB 4.25Å; V139-C193 HydrophobicContact CG1-CB 3.23Å; V139-C193 HydrophobicContact CG2-CB 4.1Å; L189-C193 PolarHBondContact O-N 3.17Å; L189-C193 VanDerWaalsContact O-N 3.16Å; L189-C193 PolarHBondContact O-SG 3.5Å; L189-C193 VanDerWaalsContact O-SG 3.4Å; V191-C193 PolarHBondContact O-N 2.71Å |
| 194 | L | 82 | Confident | 81.2 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -73.3 | 145 | 175.5 | -66.3 | 177.7 | 0 | 0 | 0 | 111.6 | L142 P143 L146 V191 D192 E198 K199 F233 | L142-L194 HydrophobicContact CB-CD2 4.25Å; L142-L194 HydrophobicContact CD2-CD1 3.84Å; L142-L194 HydrophobicContact CD2-CD2 4.05Å; L142-L194 HydrophobicContact CD2-CG 4.11Å; L142-L194 HydrophobicContact CG-CD1 4.49Å; L142-L194 HydrophobicContact CG-CD2 4.22Å; P143-L194 HydrophobicContact CB-CD2 4.33Å; P143-L194 HydrophobicContact CG-CD2 3.56Å; L146-L194 HydrophobicContact CD1-CD1 4.25Å; V191-L194 VanDerWaalsContact O-CB 3.32Å; V191-L194 WeakPolarHBondContact O-CB 3.23Å; V191-L194 PolarHBondContact O-N 3.29Å; V191-L194 VanDerWaalsContact O-N 3.12Å; D192-L194 VanDerWaalsContact C-N 3.32Å; L194-E198 HydrophobicContact CB-CB 4.33Å; L194-E198 HydrophobicContact CD2-CB 4.29Å; L194-K199 HydrophobicContact CB-CG 3.87Å; L194-K199 HydrophobicContact CD1-CG 4.39Å; L194-K199 WeakPolarHBondContact O-CE 3.4Å; L194-F233 HydrophobicContact CD1-CD1 4.22Å; L194-F233 HydrophobicContact CD1-CE1 3.69Å |
| 195 | L | 82.5 | Confident | 81.3 | Confident | 108 Ų | 108 | 58.5 Ų | 58.5 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | trans | -69.6 | 153.1 | 168.6 | -66.7 | 160.9 | 0 | 0 | 0 | 110.8 | S197 E198 K199 | L195-S197 PolarHBondContact O-N 3.05Å; L195-E198 HydrophobicContact CB-CB 4.4Å; L195-E198 HydrophobicContact CB-CG 4Å; L195-E198 HydrophobicContact CD1-CG 4.46Å; L195-E198 PolarHBondContact N-OE2 2.88Å; L195-E198 WeakPolarHBondContact O-CA 3.49Å; L195-E198 WeakPolarHBondContact O-CB 3.43Å; L195-E198 PolarHBondContact O-N 3.48Å; L195-K199 WeakPolarHBondContact O-CG 3.23Å; L195-K199 PolarHBondContact O-N 2.9Å | ||
| 196 | D | 82.2 | Confident | 81.4 | Confident | 117 Ų | 117 | 49.7 Ų | 49.7 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -58 | -35.9 | 177.5 | -64.8 | -37.9 | 0 | 0 | 0 | 112.5 | E198 K199 E200 | D196-E198 VanDerWaalsContact C-N 3.33Å; D196-E198 PolarHBondContact O-N 3.5Å; D196-K199 PolarHBondContact O-N 2.96Å; D196-E200 PolarHBondContact O-N 3.19Å |
| 197 | S | 81 | Confident | 81.5 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 56% | 0.559 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.7 | -37.4 | 173.6 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | L195 E200 T201 | L195-S197 PolarHBondContact O-N 3.05Å; S197-E200 PolarHBondContact O-N 2.64Å; S197-T201 WeakPolarHBondContact O-CG2 3.47Å; S197-T201 PolarHBondContact O-N 2.86Å; S197-T201 VanDerWaalsContact O-N 3.12Å |
| 198 | E | 84.2 | Confident | 81.5 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 21% | 0.21 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.7 | -38.9 | 179.2 | -63.1 | 168.7 | 156.9 | 0 | 0 | 110.4 | P143 L194 L195 D196 E200 T201 A202 | P143-E198 VanDerWaalsContact CB-CD 3.48Å; P143-E198 HydrophobicContact CB-CG 4.08Å; P143-E198 VanDerWaalsContact CB-OE1 3.22Å; P143-E198 WeakPolarHBondContact CB-OE1 3.34Å; P143-E198 WeakPolarHBondContact CG-OE1 3.31Å; L194-E198 HydrophobicContact CB-CB 4.33Å; L194-E198 HydrophobicContact CD2-CB 4.29Å; L195-E198 HydrophobicContact CB-CB 4.4Å; L195-E198 HydrophobicContact CB-CG 4Å; L195-E198 HydrophobicContact CD1-CG 4.46Å; L195-E198 PolarHBondContact N-OE2 2.88Å; L195-E198 WeakPolarHBondContact O-CA 3.49Å; L195-E198 WeakPolarHBondContact O-CB 3.43Å; L195-E198 PolarHBondContact O-N 3.48Å; D196-E198 VanDerWaalsContact C-N 3.33Å; D196-E198 PolarHBondContact O-N 3.5Å; E198-E200 VanDerWaalsContact C-N 3.31Å; E198-E200 PolarHBondContact O-N 3.48Å; E198-T201 WeakPolarHBondContact CA-OG1 3.36Å; E198-T201 PolarHBondContact O-N 3.48Å; E198-T201 PolarHBondContact O-OG1 3.31Å; E198-A202 PolarHBondContact O-N 2.95Å |
| 199 | K | 82.2 | Confident | 81.4 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 170.9 | -65.6 | -179.5 | -171.3 | -178.6 | 0 | 111.2 | L194 L195 D196 T201 A202 H203 S236 N237 | L194-K199 HydrophobicContact CB-CG 3.87Å; L194-K199 HydrophobicContact CD1-CG 4.39Å; L194-K199 WeakPolarHBondContact O-CE 3.4Å; L195-K199 WeakPolarHBondContact O-CG 3.23Å; L195-K199 PolarHBondContact O-N 2.9Å; D196-K199 PolarHBondContact O-N 2.96Å; K199-T201 PolarHBondContact O-N 2.95Å; K199-A202 WeakPolarHBondContact O-CB 3.36Å; K199-A202 PolarHBondContact O-N 3.29Å; K199-H203 PolarHBondContact O-N 3.33Å; K199-H203 PolarHBondContact O-ND1 3.22Å; K199-S236 WeakPolarHBondContact CE-OG 3.14Å; K199-S236 PolarHBondContact NZ-OG 3.46Å; K199-N237 PolarHBondContact NZ-OD1 3.48Å |
| 200 | E | 81.5 | Confident | 81.2 | Confident | 127 Ų | 127 | 50.9 Ų | 50.9 | 59% | 0.593 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 176 | -173.7 | 57.4 | -149.9 | 0 | 0 | 111.5 | D196 S197 E198 A202 H203 H204 | D196-E200 PolarHBondContact O-N 3.19Å; S197-E200 PolarHBondContact O-N 2.64Å; E198-E200 VanDerWaalsContact C-N 3.31Å; E198-E200 PolarHBondContact O-N 3.48Å; E200-A202 VanDerWaalsContact C-N 3.29Å; E200-A202 PolarHBondContact O-N 3.33Å; E200-H203 PolarHBondContact O-N 3.07Å; E200-H204 WeakPolarHBondContact O-CB 3.34Å; E200-H204 PolarHBondContact O-N 3.44Å |
| 201 | T | 80.7 | Confident | 81.1 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -35.7 | 174.9 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | S197 E198 K199 L205 | S197-T201 WeakPolarHBondContact O-CG2 3.47Å; S197-T201 PolarHBondContact O-N 2.86Å; S197-T201 VanDerWaalsContact O-N 3.12Å; E198-T201 WeakPolarHBondContact CA-OG1 3.36Å; E198-T201 PolarHBondContact O-N 3.48Å; E198-T201 PolarHBondContact O-OG1 3.31Å; K199-T201 PolarHBondContact O-N 2.95Å; T201-L205 WeakPolarHBondContact O-CB 3.36Å; T201-L205 PolarHBondContact O-N 2.99Å |
| 202 | A | 83.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L146 E198 K199 E200 L205 I206 F233 | L146-A202 HydrophobicContact CD1-CB 3.98Å; L146-A202 HydrophobicContact CD2-CB 4.29Å; E198-A202 PolarHBondContact O-N 2.95Å; K199-A202 WeakPolarHBondContact O-CB 3.36Å; K199-A202 PolarHBondContact O-N 3.29Å; E200-A202 VanDerWaalsContact C-N 3.29Å; E200-A202 PolarHBondContact O-N 3.33Å; A202-L205 PolarHBondContact O-N 3.22Å; A202-I206 VanDerWaalsContact O-CG1 3.29Å; A202-I206 WeakPolarHBondContact O-CG1 3.45Å; A202-I206 PolarHBondContact O-N 3.45Å; A202-F233 HydrophobicContact CB-CD1 3.99Å; A202-F233 HydrophobicContact CB-CD2 4.37Å; A202-F233 HydrophobicContact CB-CE1 3.8Å; A202-F233 HydrophobicContact CB-CE2 4.19Å; A202-F233 HydrophobicContact CB-CG 4.29Å; A202-F233 HydrophobicContact CB-CZ 3.91Å |
| 203 | H | 81.3 | Confident | 80.3 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 175.6 | -76.4 | 94.1 | 0 | 0 | 0 | 111.6 | K199 E200 L205 I206 Q207 K234 | K199-H203 PolarHBondContact O-N 3.33Å; K199-H203 PolarHBondContact O-ND1 3.22Å; E200-H203 PolarHBondContact O-N 3.07Å; H203-L205 VanDerWaalsContact C-N 3.35Å; H203-L205 PolarHBondContact O-N 2.96Å; H203-I206 PolarHBondContact O-N 2.88Å; H203-Q207 WeakPolarHBondContact O-CB 3.33Å; H203-Q207 PolarHBondContact O-N 2.88Å; H203-K234 WeakPolarHBondContact NE2-CG 3.29Å |
| 204 | H | 82.6 | Confident | 79.9 | Confident | 79 Ų | 79 | 55.6 Ų | 55.6 | 37% | 0.366 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 176.7 | -180 | -106.7 | 0 | 0 | 0 | 112 | N150 E200 Q207 K208 | N150-H204 PolarHBondContact OD1-ND1 3.27Å; E200-H204 WeakPolarHBondContact O-CB 3.34Å; E200-H204 PolarHBondContact O-N 3.44Å; H204-Q207 PolarHBondContact O-N 3.44Å; H204-K208 WeakPolarHBondContact CE1-CE 3.43Å; H204-K208 PolarHBondContact CE1-NZ 2.85Å; H204-K208 VanDerWaalsContact NE2-CE 3.33Å; H204-K208 WeakPolarHBondContact NE2-CE 3.35Å; H204-K208 WeakPolarHBondContact O-CB 3.43Å; H204-K208 WeakPolarHBondContact O-CG 3.47Å; H204-K208 PolarHBondContact O-N 3.49Å |
| 205 | L | 81.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 174.3 | 175.4 | 61 | 0 | 0 | 0 | 111.8 | L146 L149 V153 T201 A202 H203 Q207 K208 I209 | L146-L205 HydrophobicContact CD2-CD2 4.14Å; L149-L205 HydrophobicContact CB-CD2 3.77Å; L149-L205 HydrophobicContact CD1-CD2 4.36Å; V153-L205 HydrophobicContact CB-CD1 4.19Å; V153-L205 HydrophobicContact CG2-CD1 3.7Å; T201-L205 WeakPolarHBondContact O-CB 3.36Å; T201-L205 PolarHBondContact O-N 2.99Å; A202-L205 PolarHBondContact O-N 3.22Å; H203-L205 VanDerWaalsContact C-N 3.35Å; H203-L205 PolarHBondContact O-N 2.96Å; L205-Q207 PolarHBondContact O-N 2.81Å; L205-K208 PolarHBondContact O-N 3.36Å; L205-I209 HydrophobicContact CD1-CD1 3.95Å; L205-I209 HydrophobicContact CD1-CG1 4.33Å; L205-I209 HydrophobicContact CG-CD1 3.97Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.46Å; L205-I209 PolarHBondContact O-N 3.43Å |
| 206 | I | 80.5 | Confident | 78.5 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.8 | -40 | 179.7 | -65.7 | 162.6 | 0 | 0 | 0 | 111.1 | A202 H203 K208 I209 K210 I229 A230 F233 | A202-I206 VanDerWaalsContact O-CG1 3.29Å; A202-I206 WeakPolarHBondContact O-CG1 3.45Å; A202-I206 PolarHBondContact O-N 3.45Å; H203-I206 PolarHBondContact O-N 2.88Å; I206-K208 VanDerWaalsContact C-N 3.35Å; I206-I209 PolarHBondContact O-N 3.16Å; I206-K210 HydrophobicContact CG2-CD 4.3Å; I206-K210 WeakPolarHBondContact O-CG 3.34Å; I206-K210 PolarHBondContact O-N 3.28Å; I206-I229 HydrophobicContact CD1-CG2 3.79Å; I206-A230 HydrophobicContact CD1-CB 4.46Å; I206-A230 HydrophobicContact CG2-CB 4.18Å; I206-F233 HydrophobicContact CD1-CD2 3.55Å; I206-F233 HydrophobicContact CD1-CE2 3.77Å |
| 207 | Q | 81.1 | Confident | 77.5 | Confident | 139 Ų | 139 | 57.4 Ų | 57.4 | 65% | 0.65 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 176.5 | -176.3 | 173.2 | -18.7 | 0 | 0 | 111.3 | H203 H204 L205 K210 D211 | H203-Q207 WeakPolarHBondContact O-CB 3.33Å; H203-Q207 PolarHBondContact O-N 2.88Å; H204-Q207 PolarHBondContact O-N 3.44Å; L205-Q207 PolarHBondContact O-N 2.81Å; Q207-K210 WeakPolarHBondContact O-CB 3.39Å; Q207-K210 PolarHBondContact O-N 2.96Å; Q207-D211 WeakPolarHBondContact O-CB 3.28Å; Q207-D211 PolarHBondContact O-N 2.94Å |
| 208 | K | 79.4 | Confident | 76.3 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 173.9 | -78.3 | -178.5 | 164.7 | -175.2 | 0 | 112.5 | V153 D154 H204 L205 I206 K210 D211 I212 | V153-K208 HydrophobicContact CG1-CB 4.25Å; V153-K208 HydrophobicContact CG1-CD 4.33Å; D154-K208 IonicContact OD1-NZ 2.86Å; D154-K208 PolarHBondContact OD1-NZ 3.25Å; H204-K208 WeakPolarHBondContact CE1-CE 3.43Å; H204-K208 PolarHBondContact CE1-NZ 2.85Å; H204-K208 VanDerWaalsContact NE2-CE 3.33Å; H204-K208 WeakPolarHBondContact NE2-CE 3.35Å; H204-K208 WeakPolarHBondContact O-CB 3.43Å; H204-K208 WeakPolarHBondContact O-CG 3.47Å; H204-K208 PolarHBondContact O-N 3.49Å; L205-K208 PolarHBondContact O-N 3.36Å; I206-K208 VanDerWaalsContact C-N 3.35Å; K208-K210 VanDerWaalsContact C-N 3.28Å; K208-K210 PolarHBondContact O-N 3.49Å; K208-D211 PolarHBondContact O-N 2.85Å; K208-I212 VanDerWaalsContact O-CG1 3.28Å; K208-I212 WeakPolarHBondContact O-CG1 3.45Å; K208-I212 PolarHBondContact O-N 2.91Å |
| 209 | I | 77.7 | Confident | 74.8 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 176.1 | -69.1 | 166.1 | 0 | 0 | 0 | 110.5 | I171 V174 L178 L205 I206 R213 L226 | I171-I209 HydrophobicContact CG2-CG2 4.01Å; V174-I209 HydrophobicContact CG1-CD1 3.87Å; L178-I209 HydrophobicContact CD1-CD1 3.95Å; L205-I209 HydrophobicContact CD1-CD1 3.95Å; L205-I209 HydrophobicContact CD1-CG1 4.33Å; L205-I209 HydrophobicContact CG-CD1 3.97Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.46Å; L205-I209 PolarHBondContact O-N 3.43Å; I206-I209 PolarHBondContact O-N 3.16Å; I209-R213 WeakPolarHBondContact O-CB 3.31Å; I209-R213 PolarHBondContact O-N 3.32Å; I209-L226 HydrophobicContact CG2-CD1 3.71Å |
| 210 | K | 78.3 | Confident | 73.6 | Confident | 66 Ų | 66 | 70.9 Ų | 70.9 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 175.2 | -74.3 | 175.7 | 179.3 | 178.9 | 0 | 111.8 | I206 Q207 K208 I212 R213 D214 | I206-K210 HydrophobicContact CG2-CD 4.3Å; I206-K210 WeakPolarHBondContact O-CG 3.34Å; I206-K210 PolarHBondContact O-N 3.28Å; Q207-K210 WeakPolarHBondContact O-CB 3.39Å; Q207-K210 PolarHBondContact O-N 2.96Å; K208-K210 VanDerWaalsContact C-N 3.28Å; K208-K210 PolarHBondContact O-N 3.49Å; K210-I212 PolarHBondContact O-N 2.93Å; K210-R213 PolarHBondContact O-N 3.34Å; K210-D214 WeakPolarHBondContact O-CB 3.38Å; K210-D214 PolarHBondContact O-N 2.89Å |
| 211 | D | 78.4 | Confident | 72.3 | Confident | 83 Ų | 83 | 71.4 Ų | 71.4 | 44% | 0.444 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | -178.1 | -161.3 | 55.6 | 0 | 0 | 0 | 111.9 | Q207 K208 K215 | Q207-D211 WeakPolarHBondContact O-CB 3.28Å; Q207-D211 PolarHBondContact O-N 2.94Å; K208-D211 PolarHBondContact O-N 2.85Å; D211-K215 VanDerWaalsContact O-CG 3.25Å; D211-K215 WeakPolarHBondContact O-CG 3.28Å; D211-K215 PolarHBondContact O-N 3.38Å; D211-K215 VanDerWaalsContact OD2-CE 3.24Å; D211-K215 WeakPolarHBondContact OD2-CE 3.42Å; D211-K215 IonicContact OD2-NZ 3.75Å; D211-K215 PolarHBondContact OD2-NZ 3.34Å |
| 212 | I | 73.1 | Confident | 71.1 | Confident | 28 Ų | 28 | 72.1 Ų | 72.1 | 14% | 0.144 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.7 | -38.2 | 176.2 | -58.8 | 165 | 0 | 0 | 0 | 111.1 | V153 I167 I171 K208 K210 K215 L216 | V153-I212 HydrophobicContact CG1-CD1 4.13Å; I167-I212 HydrophobicContact CG2-CG2 4.35Å; I171-I212 HydrophobicContact CD1-CB 3.72Å; I171-I212 HydrophobicContact CD1-CD1 3.58Å; I171-I212 HydrophobicContact CD1-CG1 4.23Å; I171-I212 HydrophobicContact CD1-CG2 3.2Å; K208-I212 VanDerWaalsContact O-CG1 3.28Å; K208-I212 WeakPolarHBondContact O-CG1 3.45Å; K208-I212 PolarHBondContact O-N 2.91Å; K210-I212 PolarHBondContact O-N 2.93Å; I212-K215 PolarHBondContact O-N 3.26Å; I212-L216 VanDerWaalsContact O-CB 3.29Å; I212-L216 WeakPolarHBondContact O-CB 3.34Å; I212-L216 PolarHBondContact O-N 3.39Å |
| 213 | R | 71.1 | Confident | 70 | Confident | 34 Ų | 34 | 73.8 Ų | 73.8 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 176.4 | -176.9 | -179 | 63.9 | -179 | -0.9 | 112.1 | I209 K210 K215 L216 G217 L218 D222 L226 | I209-R213 WeakPolarHBondContact O-CB 3.31Å; I209-R213 PolarHBondContact O-N 3.32Å; K210-R213 PolarHBondContact O-N 3.34Å; R213-K215 VanDerWaalsContact C-N 3.32Å; R213-L216 CarbonylContact O-C 3.52Å; R213-L216 PolarHBondContact O-N 2.86Å; R213-G217 PolarHBondContact O-N 2.93Å; R213-L218 WeakPolarHBondContact CD-O 3.35Å; R213-L218 HydrophobicContact CG-CB 4.16Å; R213-L218 WeakPolarHBondContact CG-O 3.14Å; R213-D222 PolarHBondContact NH1-O 3.21Å; R213-L226 VanDerWaalsContact NH1-CD1 3.34Å |
| 214 | D | 72.8 | Confident | 69.2 | Low | 86 Ų | 86 | 75.6 Ų | 75.6 | 46% | 0.46 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 177.8 | -69.1 | -11 | 0 | 0 | 0 | 110.5 | K210 L216 F219 | K210-D214 WeakPolarHBondContact O-CB 3.38Å; K210-D214 PolarHBondContact O-N 2.89Å; D214-L216 PolarHBondContact O-N 3.2Å; D214-F219 WeakPolarHBondContact OD1-CZ 3.36Å |
| 215 | K | 70.1 | Confident | 68.4 | Low | 149 Ų | 149 | 73.7 Ų | 73.7 | 65% | 0.648 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.9 | -32.5 | 170.2 | -73.4 | 168.7 | -168.9 | 161.6 | 0 | 112.9 | D211 I212 R213 | D211-K215 VanDerWaalsContact O-CG 3.25Å; D211-K215 WeakPolarHBondContact O-CG 3.28Å; D211-K215 PolarHBondContact O-N 3.38Å; D211-K215 VanDerWaalsContact OD2-CE 3.24Å; D211-K215 WeakPolarHBondContact OD2-CE 3.42Å; D211-K215 IonicContact OD2-NZ 3.75Å; D211-K215 PolarHBondContact OD2-NZ 3.34Å; I212-K215 PolarHBondContact O-N 3.26Å; R213-K215 VanDerWaalsContact C-N 3.32Å |
| 216 | L | 63.9 | Low | 67.5 | Low | 74 Ų | 74 | 73.7 Ų | 73.7 | 39% | 0.387 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -96 | -12.1 | -171.8 | -164.2 | 61.7 | 0 | 0 | 0 | 114.5 | N168 I212 R213 D214 L218 | N168-L216 HydrophobicContact CB-CD2 3.73Å; N168-L216 VanDerWaalsContact CG-CD2 3.43Å; I212-L216 VanDerWaalsContact O-CB 3.29Å; I212-L216 WeakPolarHBondContact O-CB 3.34Å; I212-L216 PolarHBondContact O-N 3.39Å; R213-L216 CarbonylContact O-C 3.52Å; R213-L216 PolarHBondContact O-N 2.86Å; D214-L216 PolarHBondContact O-N 3.2Å; L216-L218 HydrophobicContact CD2-CD1 3.9Å; L216-L218 HydrophobicContact CD2-CG 4.41Å; L216-L218 HydrophobicContact CG-CD1 4.41Å; L216-L218 HydrophobicContact CG-CG 4.38Å |
| 217 | G | 62.1 | Low | 66.9 | Low | 50 Ų | 50 | 79.7 Ų | 79.7 | 52% | 0.515 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 20.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R213 F219 | R213-G217 PolarHBondContact O-N 2.93Å; G217-F219 PolarHBondContact O-N 2.93Å |
| 218 | L | 56.3 | Low | 66.5 | Low | 84 Ų | 84 | 78 Ų | 78 | 44% | 0.44 | 39% | 0.393 | S | S | . | . | trans | -86.6 | 86.5 | 177.7 | -61.7 | 175.7 | 0 | 0 | 0 | 111 | N168 R213 L216 | N168-L218 VanDerWaalsContact OD1-CD1 3.28Å; N168-L218 WeakPolarHBondContact OD1-CD1 3.42Å; R213-L218 WeakPolarHBondContact CD-O 3.35Å; R213-L218 HydrophobicContact CG-CB 4.16Å; R213-L218 WeakPolarHBondContact CG-O 3.14Å; L216-L218 HydrophobicContact CD2-CD1 3.9Å; L216-L218 HydrophobicContact CD2-CG 4.41Å; L216-L218 HydrophobicContact CG-CD1 4.41Å; L216-L218 HydrophobicContact CG-CG 4.38Å | ||
| 219 | F | 53.1 | Low | 66 | Low | 133 Ų | 133 | 75.9 Ų | 75.9 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | trans | -120.2 | 81 | 179.9 | -71 | -86.4 | 0 | 0 | 0 | 111.7 | D214 G217 | D214-F219 WeakPolarHBondContact OD1-CZ 3.36Å; G217-F219 PolarHBondContact O-N 2.93Å | ||
| 220 | E | 55.3 | Low | 65.7 | Low | 199 Ų | 199 | 76.1 Ų | 76.1 | 93% | 0.93 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -137.6 | -41.5 | 166.1 | -75.3 | -71 | 142.7 | 0 | 0 | 115 | ||
| 221 | D | 54.1 | Low | 65.4 | Low | 139 Ų | 139 | 76.6 Ų | 76.6 | 74% | 0.743 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -137.5 | -33.9 | -171.3 | -160.1 | 44.6 | 0 | 0 | 0 | 116.1 | G223 | D221-G223 VanDerWaalsContact C-N 3.29Å; D221-G223 PolarHBondContact O-N 2.75Å |
| 222 | D | 56.2 | Low | 65 | Low | 77 Ų | 77 | 74.4 Ų | 74.4 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -82 | -0.1 | -176.2 | -62.5 | -36.7 | 0 | 0 | 0 | 114.7 | R213 T225 L226 | R213-D222 PolarHBondContact NH1-O 3.21Å; D222-T225 WeakPolarHBondContact CA-OG1 3.46Å; D222-T225 PolarHBondContact O-OG1 3.32Å; D222-L226 WeakPolarHBondContact O-CG 3.28Å; D222-L226 PolarHBondContact O-N 3.47Å |
| 223 | G | 60.4 | Low | 64.8 | Low | 35 Ų | 35 | 73.1 Ų | 73.1 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D221 R227 | D221-G223 VanDerWaalsContact C-N 3.29Å; D221-G223 PolarHBondContact O-N 2.75Å; G223-R227 PolarHBondContact O-N 3.41Å |
| 224 | E | 65.2 | Low | 64.6 | Low | 79 Ų | 79 | 77.7 Ų | 77.7 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.3 | -39 | -176 | -171.5 | 59.3 | -149.5 | 0 | 0 | 111.9 | R227 K228 | E224-R227 PolarHBondContact O-N 3.43Å; E224-R227 IonicContact OE1-CZ 3.55Å; E224-R227 IonicContact OE1-NE 2.83Å; E224-R227 PolarHBondContact OE1-NE 3.19Å; E224-R227 IonicContact OE1-NH2 2.82Å; E224-R227 PolarHBondContact OE1-NH2 3.25Å; E224-R227 IonicContact OE2-CZ 3.15Å; E224-R227 IonicContact OE2-NE 3.52Å; E224-R227 PolarHBondContact OE2-NE 2.84Å; E224-R227 IonicContact OE2-NH2 2.7Å; E224-R227 PolarHBondContact OE2-NH2 3.43Å; E224-K228 HydrophobicContact CG-CD 4.41Å; E224-K228 VanDerWaalsContact O-CG 3.31Å; E224-K228 WeakPolarHBondContact O-CG 3.22Å; E224-K228 PolarHBondContact O-N 2.86Å |
| 225 | T | 65.6 | Low | 63.7 | Low | 39 Ų | 39 | 79.3 Ų | 79.3 | 24% | 0.239 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 176.8 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | D222 R227 K228 I229 | D222-T225 WeakPolarHBondContact CA-OG1 3.46Å; D222-T225 PolarHBondContact O-OG1 3.32Å; T225-R227 VanDerWaalsContact C-N 3.29Å; T225-R227 PolarHBondContact O-N 2.93Å; T225-K228 PolarHBondContact O-N 3.17Å; T225-I229 VanDerWaalsContact O-CG1 3.23Å; T225-I229 WeakPolarHBondContact O-CG1 3.25Å; T225-I229 PolarHBondContact O-N 3.21Å |
| 226 | L | 63.7 | Low | 62.9 | Low | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.2 | -33.4 | 175.6 | -69.7 | -171.2 | 0 | 0 | 0 | 113.2 | I209 R213 D222 I229 A230 | I209-L226 HydrophobicContact CG2-CD1 3.71Å; R213-L226 VanDerWaalsContact NH1-CD1 3.34Å; D222-L226 WeakPolarHBondContact O-CG 3.28Å; D222-L226 PolarHBondContact O-N 3.47Å; L226-I229 HydrophobicContact CD2-CD1 4.24Å; L226-A230 WeakPolarHBondContact O-CB 3.48Å; L226-A230 PolarHBondContact O-N 3.44Å |
| 227 | R | 67.6 | Low | 62.1 | Low | 132 Ų | 132 | 72.8 Ų | 72.8 | 50% | 0.498 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.6 | -50.3 | 172.9 | -175.3 | 171.5 | 69.7 | 179.6 | 6.8 | 110.7 | G223 E224 T225 I229 A230 D231 | G223-R227 PolarHBondContact O-N 3.41Å; E224-R227 PolarHBondContact O-N 3.43Å; E224-R227 IonicContact OE1-CZ 3.55Å; E224-R227 IonicContact OE1-NE 2.83Å; E224-R227 PolarHBondContact OE1-NE 3.19Å; E224-R227 IonicContact OE1-NH2 2.82Å; E224-R227 PolarHBondContact OE1-NH2 3.25Å; E224-R227 IonicContact OE2-CZ 3.15Å; E224-R227 IonicContact OE2-NE 3.52Å; E224-R227 PolarHBondContact OE2-NE 2.84Å; E224-R227 IonicContact OE2-NH2 2.7Å; E224-R227 PolarHBondContact OE2-NH2 3.43Å; T225-R227 VanDerWaalsContact C-N 3.29Å; T225-R227 PolarHBondContact O-N 2.93Å; R227-I229 VanDerWaalsContact C-N 3.29Å; R227-I229 PolarHBondContact O-N 3.49Å; R227-A230 WeakPolarHBondContact O-CB 3.39Å; R227-A230 PolarHBondContact O-N 3.05Å; R227-A230 VanDerWaalsContact O-N 3.16Å; R227-D231 PolarHBondContact O-N 2.88Å |
| 228 | K | 72.3 | Confident | 61.3 | Low | 104 Ų | 104 | 73.8 Ų | 73.8 | 45% | 0.452 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 177 | -68.7 | 171.5 | 177.6 | 172.9 | 0 | 112.7 | E224 T225 D231 T232 | E224-K228 HydrophobicContact CG-CD 4.41Å; E224-K228 VanDerWaalsContact O-CG 3.31Å; E224-K228 WeakPolarHBondContact O-CG 3.22Å; E224-K228 PolarHBondContact O-N 2.86Å; T225-K228 PolarHBondContact O-N 3.17Å; K228-D231 PolarHBondContact O-N 2.81Å; K228-T232 WeakPolarHBondContact O-CB 3.48Å; K228-T232 PolarHBondContact O-N 3.21Å; K228-T232 PolarHBondContact O-OG1 3.27Å |
| 229 | I | 69 | Low | 60.5 | Low | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.7 | -49.1 | 174.8 | -68.4 | 163.4 | 0 | 0 | 0 | 110 | L178 Q182 I206 T225 L226 R227 D231 T232 F233 | L178-I229 HydrophobicContact CB-CD1 4.08Å; Q182-I229 HydrophobicContact CB-CD1 4.33Å; Q182-I229 HydrophobicContact CB-CG1 3.99Å; Q182-I229 HydrophobicContact CG-CG1 3.96Å; I206-I229 HydrophobicContact CD1-CG2 3.79Å; T225-I229 VanDerWaalsContact O-CG1 3.23Å; T225-I229 WeakPolarHBondContact O-CG1 3.25Å; T225-I229 PolarHBondContact O-N 3.21Å; L226-I229 HydrophobicContact CD2-CD1 4.24Å; R227-I229 VanDerWaalsContact C-N 3.29Å; R227-I229 PolarHBondContact O-N 3.49Å; I229-D231 VanDerWaalsContact C-N 3.27Å; I229-D231 PolarHBondContact O-N 3.42Å; I229-T232 WeakPolarHBondContact O-CB 3.24Å; I229-T232 PolarHBondContact O-N 2.73Å; I229-T232 VanDerWaalsContact O-N 3.12Å; I229-F233 HydrophobicContact CG2-CD2 3.86Å; I229-F233 HydrophobicContact CG2-CE2 3.46Å; I229-F233 VanDerWaalsContact CG2-CE2 3.46Å; I229-F233 WeakPolarHBondContact O-CD2 3.14Å; I229-F233 PolarHBondContact O-N 3.04Å; I229-F233 VanDerWaalsContact O-N 3.1Å |
| 230 | A | 70.1 | Confident | 60 | Low | 7 Ų | 7 | 76.6 Ų | 76.6 | 6% | 0.058 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.4 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I206 L226 R227 T232 F233 K234 | I206-A230 HydrophobicContact CD1-CB 4.46Å; I206-A230 HydrophobicContact CG2-CB 4.18Å; L226-A230 WeakPolarHBondContact O-CB 3.48Å; L226-A230 PolarHBondContact O-N 3.44Å; R227-A230 WeakPolarHBondContact O-CB 3.39Å; R227-A230 PolarHBondContact O-N 3.05Å; R227-A230 VanDerWaalsContact O-N 3.16Å; A230-T232 VanDerWaalsContact C-N 3.34Å; A230-F233 PolarHBondContact O-N 3.33Å; A230-K234 WeakPolarHBondContact O-CG 3.41Å; A230-K234 PolarHBondContact O-N 3.41Å |
| 231 | D | 73.2 | Confident | 59.2 | Low | 76 Ų | 76 | 70.7 Ų | 70.7 | 41% | 0.406 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.3 | -34.5 | 177.8 | -64.3 | -24.2 | 0 | 0 | 0 | 111.6 | R227 K228 I229 K234 L235 | R227-D231 PolarHBondContact O-N 2.88Å; K228-D231 PolarHBondContact O-N 2.81Å; I229-D231 VanDerWaalsContact C-N 3.27Å; I229-D231 PolarHBondContact O-N 3.42Å; D231-K234 PolarHBondContact O-N 3.48Å; D231-L235 WeakPolarHBondContact O-CB 3.42Å; D231-L235 PolarHBondContact O-N 2.82Å |
| 232 | T | 70.5 | Confident | 58.3 | Low | 36 Ų | 36 | 69 Ų | 69 | 22% | 0.221 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 174.4 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | F187 V191 K228 I229 A230 K234 | F187-T232 HydrophobicContact CD1-CG2 4.36Å; F187-T232 HydrophobicContact CE1-CG2 4.08Å; V191-T232 HydrophobicContact CG1-CG2 4.49Å; V191-T232 HydrophobicContact CG2-CG2 4.4Å; K228-T232 WeakPolarHBondContact O-CB 3.48Å; K228-T232 PolarHBondContact O-N 3.21Å; K228-T232 PolarHBondContact O-OG1 3.27Å; I229-T232 WeakPolarHBondContact O-CB 3.24Å; I229-T232 PolarHBondContact O-N 2.73Å; I229-T232 VanDerWaalsContact O-N 3.12Å; A230-T232 VanDerWaalsContact C-N 3.34Å; T232-K234 VanDerWaalsContact C-N 3.34Å; T232-K234 PolarHBondContact O-N 2.7Å |
| 233 | F | 67.7 | Low | 57.3 | Low | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.009 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.8 | -33.6 | 175 | -71.4 | -68.4 | 0 | 0 | 0 | 112.6 | F187 V191 L194 A202 I206 I229 A230 S236 | F187-F233 HydrophobicContact CZ-CE2 4.35Å; F187-F233 AromaticContact CZ-CZ 3.99Å; F187-F233 HydrophobicContact CZ-CZ 3.99Å; V191-F233 HydrophobicContact CB-CE1 4.47Å; V191-F233 HydrophobicContact CG1-CD1 3.67Å; V191-F233 HydrophobicContact CG1-CE1 4.02Å; V191-F233 HydrophobicContact CG1-CG 4.48Å; V191-F233 HydrophobicContact CG2-CD1 4.17Å; V191-F233 HydrophobicContact CG2-CE1 3.7Å; V191-F233 HydrophobicContact CG2-CZ 4.21Å; L194-F233 HydrophobicContact CD1-CD1 4.22Å; L194-F233 HydrophobicContact CD1-CE1 3.69Å; A202-F233 HydrophobicContact CB-CD1 3.99Å; A202-F233 HydrophobicContact CB-CD2 4.37Å; A202-F233 HydrophobicContact CB-CE1 3.8Å; A202-F233 HydrophobicContact CB-CE2 4.19Å; A202-F233 HydrophobicContact CB-CG 4.29Å; A202-F233 HydrophobicContact CB-CZ 3.91Å; I206-F233 HydrophobicContact CD1-CD2 3.55Å; I206-F233 HydrophobicContact CD1-CE2 3.77Å; I229-F233 HydrophobicContact CG2-CD2 3.86Å; I229-F233 HydrophobicContact CG2-CE2 3.46Å; I229-F233 VanDerWaalsContact CG2-CE2 3.46Å; I229-F233 WeakPolarHBondContact O-CD2 3.14Å; I229-F233 PolarHBondContact O-N 3.04Å; I229-F233 VanDerWaalsContact O-N 3.1Å; A230-F233 PolarHBondContact O-N 3.33Å; F233-S236 PolarHBondContact O-OG 3.06Å |
| 234 | K | 67.1 | Low | 56.1 | Low | 129 Ų | 129 | 78 Ų | 78 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -73.1 | -43.2 | 175.6 | -74 | -178.4 | 177.8 | -176.7 | 0 | 114 | H203 A230 D231 T232 S236 N237 | H203-K234 WeakPolarHBondContact NE2-CG 3.29Å; A230-K234 WeakPolarHBondContact O-CG 3.41Å; A230-K234 PolarHBondContact O-N 3.41Å; D231-K234 PolarHBondContact O-N 3.48Å; T232-K234 VanDerWaalsContact C-N 3.34Å; T232-K234 PolarHBondContact O-N 2.7Å; K234-S236 PolarHBondContact O-N 2.93Å; K234-N237 PolarHBondContact O-N 3.42Å; K234-N237 VanDerWaalsContact O-N 3.17Å |
| 235 | L | 54.5 | Low | 54.9 | Low | 120 Ų | 120 | 79.4 Ų | 79.4 | 63% | 0.628 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.3 | -29 | -171.9 | -156.4 | 73.4 | 0 | 0 | 0 | 111.9 | D231 N237 S238 | D231-L235 WeakPolarHBondContact O-CB 3.42Å; D231-L235 PolarHBondContact O-N 2.82Å; L235-N237 PolarHBondContact O-N 3.4Å; L235-S238 WeakPolarHBondContact O-CB 3.37Å; L235-S238 PolarHBondContact O-N 3.27Å |
| 236 | S | 52.4 | Low | 53.5 | Low | 3 Ų | 3 | 83.3 Ų | 83.3 | 2% | 0.021 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.9 | -24.4 | 175.8 | 72.7 | 0 | 0 | 0 | 0 | 113.7 | D192 K199 F233 K234 | D192-S236 WeakPolarHBondContact OD1-CB 3.32Å; K199-S236 WeakPolarHBondContact CE-OG 3.14Å; K199-S236 PolarHBondContact NZ-OG 3.46Å; F233-S236 PolarHBondContact O-OG 3.06Å; K234-S236 PolarHBondContact O-N 2.93Å |
| 237 | N | 48.1 | Very low | 52.1 | Low | 83 Ų | 83 | 86.9 Ų | 86.9 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -80.7 | -20.9 | 173.6 | -73.8 | 1.4 | 0 | 0 | 0 | 112.6 | K199 K234 L235 | K199-N237 PolarHBondContact NZ-OD1 3.48Å; K234-N237 PolarHBondContact O-N 3.42Å; K234-N237 VanDerWaalsContact O-N 3.17Å; L235-N237 PolarHBondContact O-N 3.4Å |
| 238 | S | 44.4 | Very low | 50.9 | Low | 71 Ų | 71 | 91.8 Ų | 91.8 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -77 | -27.1 | 179.4 | -168.6 | 0 | 0 | 0 | 0 | 112.7 | L235 Y240 A241 | L235-S238 WeakPolarHBondContact O-CB 3.37Å; L235-S238 PolarHBondContact O-N 3.27Å; S238-Y240 PolarHBondContact O-N 3.37Å; S238-A241 PolarHBondContact O-N 3.05Å |
| 239 | C | 39.1 | Very low | 49.6 | Very low | 94 Ų | 94 | 96.7 Ų | 96.7 | 64% | 0.635 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13 | 179.2 | -68.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 240 | Y | 43.7 | Very low | 48.6 | Very low | 183 Ų | 183 | 101.6 Ų | 101.6 | 72% | 0.718 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 4.5 | 174.2 | -66.5 | -74.6 | 0 | 0 | 0 | 113.6 | S238 | S238-Y240 PolarHBondContact O-N 3.37Š|
| 241 | A | 38.2 | Very low | 47.5 | Very low | 74 Ų | 74 | 106.5 Ų | 106.5 | 61% | 0.612 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -94 | 12.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | S238 | S238-A241 PolarHBondContact O-N 3.05Š|
| 242 | V | 35.1 | Very low | 46.1 | Very low | 103 Ų | 103 | 108.2 Ų | 108.2 | 62% | 0.624 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -140.9 | 98.4 | 174.4 | -167.6 | 0 | 0 | 0 | 0 | 104.2 | ||
| 243 | D | 36.2 | Very low | 44.6 | Very low | 135 Ų | 135 | 112.5 Ų | 112.5 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | cis | -146.7 | 89.8 | 44.5 | -70.6 | -57.3 | 0 | 0 | 0 | 110.5 | V245 | D243-V245 PolarHBondContact O-N 2.93Š| ||
| 244 | D | 35.1 | Very low | 43.2 | Very low | 167 Ų | 167 | 119.4 Ų | 119.4 | 89% | 0.893 | 66% | 0.661 | S | S | * | * | trans | -85.6 | 67.3 | 154.3 | -142.2 | -1.9 | 0 | 0 | 0 | 107.1 | ||||
| 245 | V | 38.5 | Very low | 41.6 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 66% | 0.661 | 67% | 0.667 | S | S | * | * | trans | -114.9 | 85.6 | 166.9 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | D243 S247 | D243-V245 PolarHBondContact O-N 2.93Å; V245-S247 VanDerWaalsContact C-N 3.27Å; V245-S247 PolarHBondContact O-N 3.24Å | ||
| 246 | S | 36 | Very low | 40.7 | Very low | 120 Ų | 120 | 118.6 Ų | 118.6 | 84% | 0.839 | 67% | 0.67 | S | S | * | * | trans | -29.4 | 93 | 135.4 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 247 | S | 35.8 | Very low | 39.8 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 54% | 0.538 | 72% | 0.72 | S | S | . | * | trans | -168.8 | 73.2 | 155.1 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | V245 | V245-S247 VanDerWaalsContact C-N 3.27Å; V245-S247 PolarHBondContact O-N 3.24Å | ||
| 248 | Y | 41.8 | Very low | 39.1 | Very low | 234 Ų | 234 | 131.3 Ų | 131.3 | 92% | 0.918 | 74% | 0.743 | S | S | * | * | -146 | 92.3 | 127.1 | -92.4 | -74.1 | 0 | 0 | 0 | 106.9 | |||||
| 249 | V | 45.3 | Very low | 38.6 | Very low | 208 Ų | 208 | 136.7 Ų | 136.7 | 100% | 1.261 | 77% | 0.765 | S | S | * | * | trans | -45.6 | 0 | 151.1 | 174.6 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 249 of 249 residues in 158.3 ms
(Link to these results)