| 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 | 88.8 | Confident | 90.9 | Very high | 101 Ų | 101 | 55.7 Ų | 55.7 | 50% | 0.498 | 31% | 0.309 | S | S | . | . | 0 | -36.7 | 0 | -78.6 | -58.5 | 178.9 | 0 | 0 | 111.1 | K3 I4 L5 V25 A28 | M1-K3 PolarHBondContact O-N 2.71Å; M1-I4 WeakPolarHBondContact O-CB 3.5Å; M1-I4 PolarHBondContact O-N 2.76Å; M1-I4 VanDerWaalsContact O-N 3.17Å; M1-I4 HydrophobicContact SD-CD1 3.98Å; M1-L5 PolarHBondContact O-N 3.27Å; M1-V25 HydrophobicContact CB-CG1 4.39Å; M1-V25 HydrophobicContact SD-CG2 4.45Å; M1-A28 HydrophobicContact CE-CB 3.87Å; M1-A28 HydrophobicContact CG-CB 4.03Å; M1-A28 HydrophobicContact SD-CB 4.46Å | |||
| 2 | D | 90.2 | Very high | 90.9 | Very high | 32 Ų | 32 | 65.2 Ų | 65.2 | 17% | 0.171 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -43.3 | -52.6 | 167.8 | 64.7 | -51.8 | 0 | 0 | 0 | 114.3 | I4 L5 E6 L41 L44 | D2-I4 VanDerWaalsContact C-N 3.32Å; D2-I4 PolarHBondContact O-N 3.25Å; D2-L5 WeakPolarHBondContact O-CB 3.28Å; D2-L5 PolarHBondContact O-N 3.09Å; D2-L5 VanDerWaalsContact O-N 3.15Å; D2-E6 WeakPolarHBondContact O-CB 3.4Å; D2-E6 PolarHBondContact O-N 3.33Å; D2-L41 HydrophobicContact CB-CB 4.5Å; D2-L41 HydrophobicContact CB-CD1 3.72Å; D2-L44 HydrophobicContact CB-CD2 4.11Å; D2-L44 WeakPolarHBondContact O-CD2 3.16Å |
| 3 | K | 93.2 | Very high | 91 | Very high | 141 Ų | 141 | 68.5 Ų | 68.5 | 61% | 0.613 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.3 | -34.1 | 180 | -65.1 | -67.5 | 149.6 | -162.9 | 0 | 113.8 | M1 E6 G7 | M1-K3 PolarHBondContact O-N 2.71Å; K3-E6 IonicContact NZ-OE2 2.83Å; K3-E6 PolarHBondContact NZ-OE2 3.34Å; K3-G7 PolarHBondContact O-N 3.49Å |
| 4 | I | 92.3 | Very high | 91.1 | Very high | 96 Ų | 96 | 68.4 Ų | 68.4 | 49% | 0.492 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 174.5 | -64.6 | 171.2 | 0 | 0 | 0 | 109.4 | M1 D2 G7 L8 I21 | M1-I4 WeakPolarHBondContact O-CB 3.5Å; M1-I4 PolarHBondContact O-N 2.76Å; M1-I4 VanDerWaalsContact O-N 3.17Å; M1-I4 HydrophobicContact SD-CD1 3.98Å; D2-I4 VanDerWaalsContact C-N 3.32Å; D2-I4 PolarHBondContact O-N 3.25Å; I4-G7 PolarHBondContact O-N 3.04Å; I4-L8 WeakPolarHBondContact O-CB 3.32Å; I4-L8 PolarHBondContact O-N 3.48Å; I4-I21 HydrophobicContact CG2-CG2 4.36Å |
| 5 | L | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 178 | -174.3 | 63.4 | 0 | 0 | 0 | 111.7 | M1 D2 L8 I9 V22 V25 L41 L44 T45 L48 I60 V64 | M1-L5 PolarHBondContact O-N 3.27Å; D2-L5 WeakPolarHBondContact O-CB 3.28Å; D2-L5 PolarHBondContact O-N 3.09Å; D2-L5 VanDerWaalsContact O-N 3.15Å; L5-L8 PolarHBondContact O-N 2.95Å; L5-I9 HydrophobicContact CD1-CD1 4.08Å; L5-I9 HydrophobicContact CG-CD1 3.95Å; L5-I9 WeakPolarHBondContact O-CD1 3.34Å; L5-I9 VanDerWaalsContact O-CG1 3.25Å; L5-I9 WeakPolarHBondContact O-CG1 3.48Å; L5-I9 PolarHBondContact O-N 3.46Å; L5-V22 HydrophobicContact CD1-CG2 4.08Å; L5-V25 HydrophobicContact CD2-CG1 4.47Å; L5-L41 HydrophobicContact CD2-CD1 4.45Å; L5-L44 HydrophobicContact CB-CD2 4.1Å; L5-L44 HydrophobicContact CD2-CD2 4.14Å; L5-L44 HydrophobicContact CG-CD2 4.3Å; L5-T45 HydrophobicContact CD2-CG2 4.39Å; L5-L48 HydrophobicContact CD2-CD1 4.23Å; L5-L48 HydrophobicContact CG-CD1 4.49Å; L5-I60 HydrophobicContact CD1-CG2 3.79Å; L5-V64 HydrophobicContact CD2-CB 4.37Å; L5-V64 HydrophobicContact CD2-CG1 4.14Å; L5-V64 HydrophobicContact CD2-CG2 4.04Å |
| 6 | E | 92.4 | Very high | 91 | Very high | 61 Ų | 61 | 70.3 Ų | 70.3 | 29% | 0.285 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 176.9 | -176.8 | 160.4 | -128.2 | 0 | 0 | 111.6 | D2 K3 I9 S10 L44 R47 | D2-E6 WeakPolarHBondContact O-CB 3.4Å; D2-E6 PolarHBondContact O-N 3.33Å; K3-E6 IonicContact NZ-OE2 2.83Å; K3-E6 PolarHBondContact NZ-OE2 3.34Å; E6-I9 PolarHBondContact O-N 3.21Å; E6-S10 PolarHBondContact O-N 3.05Å; E6-S10 PolarHBondContact O-OG 3.36Å; E6-L44 HydrophobicContact CB-CD1 4.15Å; E6-L44 HydrophobicContact CB-CD2 3.95Å; E6-L44 HydrophobicContact CG-CD1 4.31Å; E6-R47 IonicContact OE1-CZ 3.89Å; E6-R47 IonicContact OE1-NH2 2.86Å; E6-R47 PolarHBondContact OE1-NH2 3.47Å |
| 7 | G | 91.8 | Very high | 91.1 | Very high | 36 Ų | 36 | 69.9 Ų | 69.9 | 37% | 0.371 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.4 | -35.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K3 I4 I9 S10 S11 | K3-G7 PolarHBondContact O-N 3.49Å; I4-G7 PolarHBondContact O-N 3.04Å; G7-I9 VanDerWaalsContact C-N 3.33Å; G7-I9 PolarHBondContact O-N 3.37Å; G7-S10 PolarHBondContact O-OG 3.39Å; G7-S10 VanDerWaalsContact O-OG 3.11Å; G7-S11 WeakPolarHBondContact O-CB 3.49Å; G7-S11 PolarHBondContact O-N 2.91Å |
| 8 | L | 91.2 | Very high | 91.1 | Very high | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.052 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 177 | -178.7 | 68.5 | 0 | 0 | 0 | 111.5 | I4 L5 S11 K18 I21 V22 | I4-L8 WeakPolarHBondContact O-CB 3.32Å; I4-L8 PolarHBondContact O-N 3.48Å; L5-L8 PolarHBondContact O-N 2.95Å; L8-S11 PolarHBondContact O-N 3.35Å; L8-S11 PolarHBondContact O-OG 3.4Å; L8-K18 HydrophobicContact CD1-CB 4.44Å; L8-K18 HydrophobicContact CD1-CG 3.96Å; L8-K18 HydrophobicContact CD2-CB 4.5Å; L8-K18 HydrophobicContact CG-CB 4.43Å; L8-K18 HydrophobicContact CG-CG 4.17Å; L8-K18 VanDerWaalsContact O-CE 3.3Å; L8-K18 WeakPolarHBondContact O-CE 3.45Å; L8-I21 HydrophobicContact CD1-CB 4.24Å; L8-I21 HydrophobicContact CD1-CD1 3.61Å; L8-I21 HydrophobicContact CD1-CG2 4.34Å; L8-I21 HydrophobicContact CD2-CB 3.73Å; L8-I21 HydrophobicContact CD2-CG2 3.67Å; L8-V22 HydrophobicContact CD2-CG2 3.83Å |
| 9 | I | 88.5 | Confident | 91.2 | Very high | 19 Ų | 19 | 71.7 Ų | 71.7 | 10% | 0.097 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.3 | -38.4 | -177.3 | -72.9 | 168.3 | 0 | 0 | 0 | 111.1 | L5 E6 G7 S11 L48 Q57 I60 | L5-I9 HydrophobicContact CD1-CD1 4.08Å; L5-I9 HydrophobicContact CG-CD1 3.95Å; L5-I9 WeakPolarHBondContact O-CD1 3.34Å; L5-I9 VanDerWaalsContact O-CG1 3.25Å; L5-I9 WeakPolarHBondContact O-CG1 3.48Å; L5-I9 PolarHBondContact O-N 3.46Å; E6-I9 PolarHBondContact O-N 3.21Å; G7-I9 VanDerWaalsContact C-N 3.33Å; G7-I9 PolarHBondContact O-N 3.37Å; I9-S11 VanDerWaalsContact C-N 3.32Å; I9-L48 HydrophobicContact CD1-CD1 3.19Å; I9-L48 HydrophobicContact CD1-CD2 3.49Å; I9-L48 VanDerWaalsContact CD1-CD2 3.49Å; I9-L48 HydrophobicContact CD1-CG 3.94Å; I9-L48 HydrophobicContact CG2-CD2 4.07Å; I9-Q57 HydrophobicContact CG2-CG 3.59Å; I9-I60 HydrophobicContact CD1-CG2 4.45Å |
| 10 | S | 87.4 | Confident | 91.3 | Very high | 94 Ų | 94 | 71.1 Ų | 71.1 | 66% | 0.657 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -79.1 | -9.1 | 174.7 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | E6 G7 | E6-S10 PolarHBondContact O-N 3.05Å; E6-S10 PolarHBondContact O-OG 3.36Å; G7-S10 PolarHBondContact O-OG 3.39Å; G7-S10 VanDerWaalsContact O-OG 3.11Å |
| 11 | S | 91.7 | Very high | 91.3 | Very high | 23 Ų | 23 | 70.5 Ų | 70.5 | 16% | 0.161 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -76 | 159.3 | 179.1 | 74.5 | 0 | 0 | 0 | 0 | 113.9 | G7 L8 I9 H13 K18 | G7-S11 WeakPolarHBondContact O-CB 3.49Å; G7-S11 PolarHBondContact O-N 2.91Å; L8-S11 PolarHBondContact O-N 3.35Å; L8-S11 PolarHBondContact O-OG 3.4Å; I9-S11 VanDerWaalsContact C-N 3.32Å; S11-H13 VanDerWaalsContact C-N 3.28Å; S11-H13 PolarHBondContact O-N 3.07Å; S11-H13 PolarHBondContact OG-CD2 3.46Å; S11-K18 WeakPolarHBondContact O-CE 3.41Å; S11-K18 PolarHBondContact O-NZ 3.27Å; S11-K18 WeakPolarHBondContact OG-CE 3.49Å |
| 12 | D | 90.1 | Very high | 91.5 | Very high | 169 Ų | 169 | 65.9 Ų | 65.9 | 90% | 0.904 | 37% | 0.367 | S | S | * | . | trans | -88.8 | 15.8 | 174.2 | -61.4 | -38.9 | 0 | 0 | 0 | 113.7 | ||||
| 13 | H | 92.3 | Very high | 91.7 | Very high | 109 Ų | 109 | 70.6 Ų | 70.6 | 51% | 0.505 | 39% | 0.386 | S | S | . | . | trans | -64.5 | 152.1 | 179.5 | -65.9 | -48 | 0 | 0 | 0 | 112.7 | S11 V17 K18 | S11-H13 VanDerWaalsContact C-N 3.28Å; S11-H13 PolarHBondContact O-N 3.07Å; S11-H13 PolarHBondContact OG-CD2 3.46Å; H13-V17 HydrophobicContact CB-CB 4.49Å; H13-V17 HydrophobicContact CB-CG1 4.23Å; H13-K18 HydrophobicContact CB-CG 4.14Å; H13-K18 WeakPolarHBondContact O-CE 3.44Å | ||
| 14 | S | 92.3 | Very high | 91.7 | Very high | 66 Ų | 66 | 70.1 Ų | 70.1 | 46% | 0.462 | 38% | 0.384 | S | S | . | . | trans | -64.9 | 149.9 | 179 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | P16 V17 K18 | S14-P16 VanDerWaalsContact C-CD 3.46Å; S14-P16 VanDerWaalsContact C-N 3.34Å; S14-V17 WeakPolarHBondContact O-CB 3.42Å; S14-V17 PolarHBondContact O-N 3Å; S14-V17 WeakPolarHBondContact OG-CG2 3.48Å; S14-K18 PolarHBondContact O-N 2.94Å | ||
| 15 | V | 89.4 | Confident | 91.8 | Very high | 74 Ų | 74 | 65.6 Ų | 65.6 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -53 | -41.6 | -179.3 | 177.9 | 0 | 0 | 0 | 0 | 113.2 | V17 K18 R19 F56 | V15-V17 PolarHBondContact O-N 3.26Å; V15-K18 PolarHBondContact O-N 3.3Å; V15-R19 HydrophobicContact CG1-CG 4.33Å; V15-R19 WeakPolarHBondContact O-CB 3.41Å; V15-R19 WeakPolarHBondContact O-CG 3.43Å; V15-R19 PolarHBondContact O-N 2.87Å; V15-F56 HydrophobicContact CG1-CD2 4.35Å; V15-F56 HydrophobicContact CG1-CE2 3.89Å; V15-F56 HydrophobicContact CG1-CZ 4.14Å |
| 16 | P | 92 | Very high | 91.9 | Very high | 93 Ų | 93 | 67.7 Ų | 67.7 | 60% | 0.604 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 175.8 | -24.1 | 35.3 | 0 | 0 | 0 | 113.5 | S14 R19 A20 | S14-P16 VanDerWaalsContact C-CD 3.46Å; S14-P16 VanDerWaalsContact C-N 3.34Å; P16-R19 PolarHBondContact O-N 3.33Å; P16-A20 PolarHBondContact O-N 3.2Å |
| 17 | V | 91.6 | Very high | 91.9 | Very high | 64 Ų | 64 | 68 Ų | 68 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 110 | H13 S14 V15 R19 A20 I21 | H13-V17 HydrophobicContact CB-CB 4.49Å; H13-V17 HydrophobicContact CB-CG1 4.23Å; S14-V17 WeakPolarHBondContact O-CB 3.42Å; S14-V17 PolarHBondContact O-N 3Å; S14-V17 WeakPolarHBondContact OG-CG2 3.48Å; V15-V17 PolarHBondContact O-N 3.26Å; V17-R19 VanDerWaalsContact C-N 3.33Å; V17-R19 PolarHBondContact O-N 2.85Å; V17-A20 PolarHBondContact O-N 3.12Å; V17-I21 HydrophobicContact CG1-CD1 3.91Å; V17-I21 WeakPolarHBondContact O-CG1 3.47Å; V17-I21 PolarHBondContact O-N 2.82Å |
| 18 | K | 92.3 | Very high | 92 | Very high | 32 Ų | 32 | 66.9 Ų | 66.9 | 14% | 0.139 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.8 | -46 | 174.6 | -67.8 | -173.5 | 175.5 | -177 | 0 | 111.4 | L8 S11 H13 S14 V15 A20 I21 V22 F56 | L8-K18 HydrophobicContact CD1-CB 4.44Å; L8-K18 HydrophobicContact CD1-CG 3.96Å; L8-K18 HydrophobicContact CD2-CB 4.5Å; L8-K18 HydrophobicContact CG-CB 4.43Å; L8-K18 HydrophobicContact CG-CG 4.17Å; L8-K18 VanDerWaalsContact O-CE 3.3Å; L8-K18 WeakPolarHBondContact O-CE 3.45Å; S11-K18 WeakPolarHBondContact O-CE 3.41Å; S11-K18 PolarHBondContact O-NZ 3.27Å; S11-K18 WeakPolarHBondContact OG-CE 3.49Å; H13-K18 HydrophobicContact CB-CG 4.14Å; H13-K18 WeakPolarHBondContact O-CE 3.44Å; S14-K18 PolarHBondContact O-N 2.94Å; V15-K18 PolarHBondContact O-N 3.3Å; K18-A20 PolarHBondContact O-N 3.44Å; K18-I21 PolarHBondContact O-N 3.17Å; K18-V22 WeakPolarHBondContact O-CB 3.44Å; K18-V22 WeakPolarHBondContact O-CG2 3.45Å; K18-V22 PolarHBondContact O-N 3Å; K18-F56 HydrophobicContact CB-CE1 3.91Å; K18-F56 HydrophobicContact CB-CZ 3.74Å; K18-F56 HydrophobicContact CD-CE1 3.83Å; K18-F56 HydrophobicContact CD-CZ 4.49Å |
| 19 | R | 92.3 | Very high | 92.1 | Very high | 142 Ų | 142 | 66.4 Ų | 66.4 | 54% | 0.536 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 177 | -74.2 | -179.4 | -176.5 | -135.5 | 0.1 | 113.2 | V15 P16 V17 V22 K23 F56 | V15-R19 HydrophobicContact CG1-CG 4.33Å; V15-R19 WeakPolarHBondContact O-CB 3.41Å; V15-R19 WeakPolarHBondContact O-CG 3.43Å; V15-R19 PolarHBondContact O-N 2.87Å; P16-R19 PolarHBondContact O-N 3.33Å; V17-R19 VanDerWaalsContact C-N 3.33Å; V17-R19 PolarHBondContact O-N 2.85Å; R19-V22 PolarHBondContact O-N 3.31Å; R19-K23 WeakPolarHBondContact O-CB 3.47Å; R19-K23 PolarHBondContact O-N 3.21Å; R19-F56 HydrophobicContact CG-CE2 3.76Å; R19-F56 HydrophobicContact CG-CZ 4.11Å |
| 20 | A | 92.7 | Very high | 92.3 | Very high | 59 Ų | 59 | 71.5 Ų | 71.5 | 49% | 0.488 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | P16 V17 K18 K23 K24 | P16-A20 PolarHBondContact O-N 3.2Å; V17-A20 PolarHBondContact O-N 3.12Å; K18-A20 PolarHBondContact O-N 3.44Å; A20-K23 WeakPolarHBondContact O-CB 3.25Å; A20-K23 PolarHBondContact O-N 3.21Å; A20-K24 PolarHBondContact O-N 2.95Å |
| 21 | I | 92.2 | Very high | 92.5 | Very high | 59 Ų | 59 | 71.9 Ų | 71.9 | 30% | 0.303 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.9 | -41.6 | 177.4 | -61.6 | 168.3 | 0 | 0 | 0 | 110.5 | I4 L8 V17 K18 K23 K24 V25 | I4-I21 HydrophobicContact CG2-CG2 4.36Å; L8-I21 HydrophobicContact CD1-CB 4.24Å; L8-I21 HydrophobicContact CD1-CD1 3.61Å; L8-I21 HydrophobicContact CD1-CG2 4.34Å; L8-I21 HydrophobicContact CD2-CB 3.73Å; L8-I21 HydrophobicContact CD2-CG2 3.67Å; V17-I21 HydrophobicContact CG1-CD1 3.91Å; V17-I21 WeakPolarHBondContact O-CG1 3.47Å; V17-I21 PolarHBondContact O-N 2.82Å; K18-I21 PolarHBondContact O-N 3.17Å; I21-K23 VanDerWaalsContact C-N 3.26Å; I21-K23 PolarHBondContact O-N 3.42Å; I21-K24 WeakPolarHBondContact O-CA 3.28Å; I21-K24 WeakPolarHBondContact O-CB 3.16Å; I21-K24 PolarHBondContact O-N 3.41Å; I21-V25 PolarHBondContact O-N 2.88Å |
| 22 | V | 93.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 78.9 Ų | 78.9 | 2% | 0.024 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.1 | -40.5 | 173.3 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | L5 L8 K18 R19 K24 V25 V26 I60 V64 | L5-V22 HydrophobicContact CD1-CG2 4.08Å; L8-V22 HydrophobicContact CD2-CG2 3.83Å; K18-V22 WeakPolarHBondContact O-CB 3.44Å; K18-V22 WeakPolarHBondContact O-CG2 3.45Å; K18-V22 PolarHBondContact O-N 3Å; R19-V22 PolarHBondContact O-N 3.31Å; V22-K24 VanDerWaalsContact C-N 3.26Å; V22-K24 PolarHBondContact O-N 2.64Å; V22-V25 WeakPolarHBondContact O-CB 3.12Å; V22-V25 PolarHBondContact O-N 2.88Å; V22-V26 HydrophobicContact CG1-CG2 4.39Å; V22-V26 WeakPolarHBondContact O-CG2 3.19Å; V22-V26 PolarHBondContact O-N 3.46Å; V22-I60 HydrophobicContact CB-CG2 4.5Å; V22-I60 HydrophobicContact CG1-CG1 4.26Å; V22-I60 HydrophobicContact CG1-CG2 3.91Å; V22-I60 HydrophobicContact CG2-CB 4.48Å; V22-I60 HydrophobicContact CG2-CD1 3.79Å; V22-I60 HydrophobicContact CG2-CG1 3.94Å; V22-I60 HydrophobicContact CG2-CG2 3.69Å; V22-V64 HydrophobicContact CG1-CG2 4.29Å |
| 23 | K | 93.9 | Very high | 92.4 | Very high | 132 Ų | 132 | 72.3 Ų | 72.3 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.4 | -41.1 | 174.2 | -168 | -172 | 180 | -165.9 | 0 | 111.5 | R19 A20 I21 V26 E27 | R19-K23 WeakPolarHBondContact O-CB 3.47Å; R19-K23 PolarHBondContact O-N 3.21Å; A20-K23 WeakPolarHBondContact O-CB 3.25Å; A20-K23 PolarHBondContact O-N 3.21Å; I21-K23 VanDerWaalsContact C-N 3.26Å; I21-K23 PolarHBondContact O-N 3.42Å; K23-V26 PolarHBondContact O-N 3.37Å; K23-E27 WeakPolarHBondContact CE-OE1 3.49Å; K23-E27 IonicContact NZ-OE1 3.72Å; K23-E27 WeakPolarHBondContact O-CB 3.36Å; K23-E27 VanDerWaalsContact O-CG 3.32Å; K23-E27 WeakPolarHBondContact O-CG 3.46Å; K23-E27 PolarHBondContact O-N 2.94Å |
| 24 | K | 93 | Very high | 92.4 | Very high | 130 Ų | 130 | 70.4 Ų | 70.4 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.2 | -35.7 | 174.5 | -67.5 | -60.9 | 179.1 | -169.6 | 0 | 113.4 | A20 I21 V22 V26 E27 A28 | A20-K24 PolarHBondContact O-N 2.95Å; I21-K24 WeakPolarHBondContact O-CA 3.28Å; I21-K24 WeakPolarHBondContact O-CB 3.16Å; I21-K24 PolarHBondContact O-N 3.41Å; V22-K24 VanDerWaalsContact C-N 3.26Å; V22-K24 PolarHBondContact O-N 2.64Å; K24-V26 VanDerWaalsContact C-N 3.35Å; K24-E27 VanDerWaalsContact CD-OE2 3.28Å; K24-E27 WeakPolarHBondContact CD-OE2 3.34Å; K24-E27 WeakPolarHBondContact CE-OE2 3.44Å; K24-E27 IonicContact NZ-OE2 2.71Å; K24-E27 PolarHBondContact NZ-OE2 3.12Å; K24-A28 WeakPolarHBondContact O-CB 3.47Å; K24-A28 PolarHBondContact O-N 3.17Å |
| 25 | V | 93.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.012 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 172.5 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | M1 L5 I21 V22 A28 V64 Y68 | M1-V25 HydrophobicContact CB-CG1 4.39Å; M1-V25 HydrophobicContact SD-CG2 4.45Å; L5-V25 HydrophobicContact CD2-CG1 4.47Å; I21-V25 PolarHBondContact O-N 2.88Å; V22-V25 WeakPolarHBondContact O-CB 3.12Å; V22-V25 PolarHBondContact O-N 2.88Å; V25-A28 WeakPolarHBondContact O-CB 3.22Å; V25-A28 PolarHBondContact O-N 3.4Å; V25-V64 HydrophobicContact CG1-CG1 4.03Å; V25-V64 HydrophobicContact CG1-CG2 4.13Å; V25-Y68 WeakPolarHBondContact O-CE2 3.21Å |
| 26 | V | 94.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 76.5 Ų | 76.5 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66 | -45.6 | 175.5 | 167.9 | 0 | 0 | 0 | 0 | 111.8 | V22 K23 K24 A28 A29 V64 A67 | V22-V26 HydrophobicContact CG1-CG2 4.39Å; V22-V26 WeakPolarHBondContact O-CG2 3.19Å; V22-V26 PolarHBondContact O-N 3.46Å; K23-V26 PolarHBondContact O-N 3.37Å; K24-V26 VanDerWaalsContact C-N 3.35Å; V26-A28 PolarHBondContact O-N 3.36Å; V26-A29 WeakPolarHBondContact O-CB 3.47Å; V26-A29 PolarHBondContact O-N 2.97Å; V26-A29 VanDerWaalsContact O-N 3.12Å; V26-V64 HydrophobicContact CG2-CG2 4.02Å; V26-A67 HydrophobicContact CB-CB 4.45Å; V26-A67 HydrophobicContact CG1-CB 3.76Å; V26-A67 HydrophobicContact CG2-CB 4.48Å |
| 27 | E | 93.4 | Very high | 92.6 | Very high | 67 Ų | 67 | 76.9 Ų | 76.9 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.5 | -28.9 | 174.7 | -73.3 | 170.4 | -164 | 0 | 0 | 111.8 | K23 K24 A29 E30 | K23-E27 WeakPolarHBondContact CE-OE1 3.49Å; K23-E27 IonicContact NZ-OE1 3.72Å; K23-E27 WeakPolarHBondContact O-CB 3.36Å; K23-E27 VanDerWaalsContact O-CG 3.32Å; K23-E27 WeakPolarHBondContact O-CG 3.46Å; K23-E27 PolarHBondContact O-N 2.94Å; K24-E27 VanDerWaalsContact CD-OE2 3.28Å; K24-E27 WeakPolarHBondContact CD-OE2 3.34Å; K24-E27 WeakPolarHBondContact CE-OE2 3.44Å; K24-E27 IonicContact NZ-OE2 2.71Å; K24-E27 PolarHBondContact NZ-OE2 3.12Å; E27-A29 PolarHBondContact O-N 3.15Å; E27-E30 PolarHBondContact O-N 3.19Å |
| 28 | A | 93.3 | Very high | 92.7 | Very high | 12 Ų | 12 | 73.8 Ų | 73.8 | 10% | 0.099 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -68.7 | -17.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 K24 V25 V26 E30 N31 | M1-A28 HydrophobicContact CE-CB 3.87Å; M1-A28 HydrophobicContact CG-CB 4.03Å; M1-A28 HydrophobicContact SD-CB 4.46Å; K24-A28 WeakPolarHBondContact O-CB 3.47Å; K24-A28 PolarHBondContact O-N 3.17Å; V25-A28 WeakPolarHBondContact O-CB 3.22Å; V25-A28 PolarHBondContact O-N 3.4Å; V26-A28 PolarHBondContact O-N 3.36Å; A28-E30 PolarHBondContact O-N 2.99Å; A28-N31 PolarHBondContact O-N 3.22Å; A28-N31 PolarHBondContact O-ND2 2.83Å; A28-N31 VanDerWaalsContact O-ND2 3.09Å |
| 29 | A | 92.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -64.9 | -16.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V26 E27 N31 A67 Y68 Y71 H72 | V26-A29 WeakPolarHBondContact O-CB 3.47Å; V26-A29 PolarHBondContact O-N 2.97Å; V26-A29 VanDerWaalsContact O-N 3.12Å; E27-A29 PolarHBondContact O-N 3.15Å; A29-N31 VanDerWaalsContact C-N 3.27Å; A29-N31 PolarHBondContact O-N 3.38Å; A29-A67 HydrophobicContact CB-CB 4.15Å; A29-Y68 HydrophobicContact CB-CD1 4.23Å; A29-Y68 HydrophobicContact CB-CD2 3.53Å; A29-Y68 HydrophobicContact CB-CE1 4.24Å; A29-Y68 HydrophobicContact CB-CE2 3.57Å; A29-Y68 HydrophobicContact CB-CG 3.89Å; A29-Y71 HydrophobicContact CB-CD2 3.84Å; A29-Y71 WeakPolarHBondContact O-CB 3.37Å; A29-H72 PolarHBondContact O-NE2 3.41Å |
| 30 | E | 93 | Very high | 92.9 | Very high | 126 Ų | 126 | 72.5 Ų | 72.5 | 59% | 0.589 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -79.1 | -11.2 | -180 | -54.7 | -166.5 | 163.3 | 0 | 0 | 113.3 | E27 A28 Y71 | E27-E30 PolarHBondContact O-N 3.19Å; A28-E30 PolarHBondContact O-N 2.99Å; E30-Y71 HydrophobicContact CG-CD2 4.35Å; E30-Y71 HydrophobicContact CG-CE1 4.04Å; E30-Y71 HydrophobicContact CG-CE2 3.7Å; E30-Y71 PolarHBondContact OE1-OH 3.39Å |
| 31 | N | 92.8 | Very high | 93 | Very high | 102 Ų | 102 | 69.9 Ų | 69.9 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -91 | 162.8 | -178.8 | -54.9 | -71 | 0 | 0 | 0 | 110.9 | A28 A29 V33 H72 | A28-N31 PolarHBondContact O-N 3.22Å; A28-N31 PolarHBondContact O-ND2 2.83Å; A28-N31 VanDerWaalsContact O-ND2 3.09Å; A29-N31 VanDerWaalsContact C-N 3.27Å; A29-N31 PolarHBondContact O-N 3.38Å; N31-V33 WeakPolarHBondContact O-CG2 3.41Å; N31-V33 PolarHBondContact O-N 2.89Å; N31-H72 PolarHBondContact O-CE1 2.8Å |
| 32 | D | 87.6 | Confident | 93.2 | Very high | 170 Ų | 170 | 67.1 Ų | 67.1 | 91% | 0.909 | 34% | 0.337 | S | S | * | . | trans | -67.1 | 128.6 | 169.9 | -72 | -37.1 | 0 | 0 | 0 | 110.8 | ||||
| 33 | V | 90.8 | Very high | 93.3 | Very high | 32 Ų | 32 | 70 Ų | 70 | 19% | 0.194 | 36% | 0.355 | C | S | . | . | trans | -130.7 | 141 | -175.9 | -180 | 0 | 0 | 0 | 0 | 108 | N31 Q37 Y68 | N31-V33 WeakPolarHBondContact O-CG2 3.41Å; N31-V33 PolarHBondContact O-N 2.89Å; V33-Q37 HydrophobicContact CG1-CB 3.33Å; V33-Q37 HydrophobicContact CG1-CG 4.38Å; V33-Y68 HydrophobicContact CG2-CE1 4.26Å | ||
| 34 | T | 92.1 | Very high | 93.4 | Very high | 68 Ų | 68 | 64.2 Ų | 64.2 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | trans | -72.3 | 156.4 | 179.4 | 70.2 | 0 | 0 | 0 | 0 | 111.4 | E36 Q37 C38 | T34-E36 PolarHBondContact O-N 3.41Å; T34-Q37 WeakPolarHBondContact O-CB 3.35Å; T34-Q37 PolarHBondContact O-N 3.02Å; T34-Q37 VanDerWaalsContact OG1-CG 3.26Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.15Å; T34-Q37 PolarHBondContact OG1-N 3.35Å; T34-Q37 PolarHBondContact OG1-OE1 3.48Å; T34-C38 PolarHBondContact O-N 3.04Å | ||
| 35 | Q | 92.3 | Very high | 93.5 | Very high | 114 Ų | 114 | 58 Ų | 58 | 53% | 0.533 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.1 | -41.5 | 177.4 | -174.4 | -178.9 | 1.9 | 0 | 0 | 112.6 | Q37 C38 Q39 E75 | Q35-Q37 VanDerWaalsContact C-N 3.34Å; Q35-Q37 PolarHBondContact O-N 2.96Å; Q35-C38 PolarHBondContact O-N 3.4Å; Q35-Q39 WeakPolarHBondContact O-CB 3.47Å; Q35-Q39 PolarHBondContact O-N 3.4Å; Q35-E75 HydrophobicContact CG-CG 4.39Å |
| 36 | E | 92.5 | Very high | 93.6 | Very high | 154 Ų | 154 | 58 Ų | 58 | 72% | 0.72 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.6 | -39.1 | 178.1 | -65.5 | 157.9 | 176.6 | 0 | 0 | 112.1 | T34 Q39 A40 | T34-E36 PolarHBondContact O-N 3.41Å; E36-Q39 PolarHBondContact O-N 3.32Å; E36-A40 WeakPolarHBondContact O-CB 3.45Å; E36-A40 PolarHBondContact O-N 3.21Å |
| 37 | Q | 93.3 | Very high | 93.6 | Very high | 101 Ų | 101 | 60.7 Ų | 60.7 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.8 | -40.8 | 177.2 | -72.6 | 171.1 | -19.3 | 0 | 0 | 111.5 | V33 T34 Q35 L41 | V33-Q37 HydrophobicContact CG1-CB 3.33Å; V33-Q37 HydrophobicContact CG1-CG 4.38Å; T34-Q37 WeakPolarHBondContact O-CB 3.35Å; T34-Q37 PolarHBondContact O-N 3.02Å; T34-Q37 VanDerWaalsContact OG1-CG 3.26Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.15Å; T34-Q37 PolarHBondContact OG1-N 3.35Å; T34-Q37 PolarHBondContact OG1-OE1 3.48Å; Q35-Q37 VanDerWaalsContact C-N 3.34Å; Q35-Q37 PolarHBondContact O-N 2.96Å; Q37-L41 WeakPolarHBondContact O-CB 3.46Å; Q37-L41 PolarHBondContact O-N 3.1Å; Q37-L41 VanDerWaalsContact O-N 3.1Å |
| 38 | C | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 171.9 | -73.4 | 0 | 0 | 0 | 0 | 110.8 | T34 Q35 A40 L41 F42 E75 | T34-C38 PolarHBondContact O-N 3.04Å; Q35-C38 PolarHBondContact O-N 3.4Å; C38-A40 PolarHBondContact O-N 3.09Å; C38-L41 PolarHBondContact O-N 2.86Å; C38-F42 HydrophobicContact CB-CD2 4.33Å; C38-F42 HydrophobicContact CB-CE2 3.88Å; C38-F42 WeakPolarHBondContact O-CD2 3.26Å; C38-F42 VanDerWaalsContact O-CG 3.27Å; C38-F42 WeakPolarHBondContact O-CG 3.42Å; C38-F42 PolarHBondContact O-N 3.41Å; C38-E75 HydrophobicContact CB-CB 3.93Å; C38-E75 HydrophobicContact CB-CG 4.2Å |
| 39 | Q | 94.4 | Very high | 93.8 | Very high | 110 Ų | 110 | 58.2 Ų | 58.2 | 51% | 0.514 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 178.9 | -172.4 | 171.1 | 4.8 | 0 | 0 | 112.2 | Q35 E36 L41 F42 T43 F79 | Q35-Q39 WeakPolarHBondContact O-CB 3.47Å; Q35-Q39 PolarHBondContact O-N 3.4Å; E36-Q39 PolarHBondContact O-N 3.32Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 3.2Å; Q39-F42 PolarHBondContact O-N 3.07Å; Q39-T43 PolarHBondContact O-N 3.23Å; Q39-T43 PolarHBondContact O-OG1 3.36Å; Q39-T43 VanDerWaalsContact O-OG1 3.04Å; Q39-F79 HydrophobicContact CG-CD2 4.44Å |
| 40 | A | 94.5 | Very high | 93.9 | Very high | 37 Ų | 37 | 58.3 Ų | 58.3 | 31% | 0.306 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E36 C38 L44 | E36-A40 WeakPolarHBondContact O-CB 3.45Å; E36-A40 PolarHBondContact O-N 3.21Å; C38-A40 PolarHBondContact O-N 3.09Å; A40-L44 WeakPolarHBondContact O-CB 3.42Å; A40-L44 PolarHBondContact O-N 2.94Å |
| 41 | L | 95.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -73.1 | -41 | 179.4 | -162.9 | 77.6 | 0 | 0 | 0 | 112.6 | D2 L5 Q37 C38 Q39 T43 L44 T45 V64 Y68 | D2-L41 HydrophobicContact CB-CB 4.5Å; D2-L41 HydrophobicContact CB-CD1 3.72Å; L5-L41 HydrophobicContact CD2-CD1 4.45Å; Q37-L41 WeakPolarHBondContact O-CB 3.46Å; Q37-L41 PolarHBondContact O-N 3.1Å; Q37-L41 VanDerWaalsContact O-N 3.1Å; C38-L41 PolarHBondContact O-N 2.86Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 3.2Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-L44 PolarHBondContact O-N 2.68Å; L41-T45 HydrophobicContact CG-CG2 4.44Å; L41-T45 WeakPolarHBondContact O-CB 3.41Å; L41-T45 WeakPolarHBondContact O-CG2 3.33Å; L41-T45 PolarHBondContact O-N 3.25Å; L41-T45 PolarHBondContact O-OG1 3.01Å; L41-V64 HydrophobicContact CD1-CG1 4.3Å; L41-V64 HydrophobicContact CD2-CG1 3.8Å; L41-V64 HydrophobicContact CG-CG1 4.15Å; L41-Y68 HydrophobicContact CD2-CD1 3.32Å; L41-Y68 HydrophobicContact CD2-CD2 3.19Å; L41-Y68 HydrophobicContact CD2-CE1 3.35Å; L41-Y68 HydrophobicContact CD2-CE2 3.2Å; L41-Y68 HydrophobicContact CD2-CG 3.25Å |
| 42 | F | 96.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -42 | 174.1 | -65.3 | -40.1 | 0 | 0 | 0 | 111.4 | C38 Q39 L44 T45 T46 L65 A69 E75 F76 F79 | C38-F42 HydrophobicContact CB-CD2 4.33Å; C38-F42 HydrophobicContact CB-CE2 3.88Å; C38-F42 WeakPolarHBondContact O-CD2 3.26Å; C38-F42 VanDerWaalsContact O-CG 3.27Å; C38-F42 WeakPolarHBondContact O-CG 3.42Å; C38-F42 PolarHBondContact O-N 3.41Å; Q39-F42 PolarHBondContact O-N 3.07Å; F42-L44 PolarHBondContact O-N 3.04Å; F42-T45 WeakPolarHBondContact CA-OG1 3.39Å; F42-T45 PolarHBondContact O-N 3.11Å; F42-T45 PolarHBondContact O-OG1 3.49Å; F42-T45 VanDerWaalsContact O-OG1 3.11Å; F42-T46 VanDerWaalsContact O-CB 3.26Å; F42-T46 WeakPolarHBondContact O-CB 3.47Å; F42-T46 PolarHBondContact O-N 3.39Å; F42-T46 PolarHBondContact O-OG1 3.2Å; F42-L65 HydrophobicContact CD1-CD1 3.64Å; F42-L65 HydrophobicContact CE1-CD1 4.19Å; F42-A69 HydrophobicContact CE1-CB 4.39Å; F42-E75 HydrophobicContact CE2-CB 4.18Å; F42-F76 HydrophobicContact CD1-CD2 4.08Å; F42-F76 HydrophobicContact CD2-CD2 4.47Å; F42-F76 HydrophobicContact CE1-CB 4.41Å; F42-F76 AromaticContact CE1-CD2 3.84Å; F42-F76 HydrophobicContact CE1-CD2 3.84Å; F42-F76 HydrophobicContact CE2-CB 3.96Å; F42-F76 HydrophobicContact CE2-CD2 4.26Å; F42-F76 HydrophobicContact CG-CD2 4.41Å; F42-F76 HydrophobicContact CZ-CB 3.72Å; F42-F76 AromaticContact CZ-CD2 3.95Å; F42-F76 HydrophobicContact CZ-CD2 3.95Å; F42-F76 HydrophobicContact CZ-CG 4.31Å; F42-F79 HydrophobicContact CB-CD1 3.7Å; F42-F79 HydrophobicContact CB-CD2 3.79Å; F42-F79 HydrophobicContact CB-CE1 3.68Å; F42-F79 HydrophobicContact CB-CE2 3.77Å; F42-F79 HydrophobicContact CB-CG 3.75Å; F42-F79 HydrophobicContact CB-CZ 3.72Å; F42-F79 HydrophobicContact CD2-CB 3.93Å; F42-F79 HydrophobicContact CD2-CD1 4.34Å; F42-F79 HydrophobicContact CD2-CD2 4.46Å; F42-F79 AromaticContact CD2-CG 3.99Å; F42-F79 HydrophobicContact CD2-CG 3.99Å; F42-F79 HydrophobicContact CG-CD1 4.17Å; F42-F79 HydrophobicContact CG-CG 4.19Å |
| 43 | T | 95.6 | Very high | 93.7 | Very high | 65 Ų | 65 | 49.4 Ų | 49.4 | 40% | 0.399 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 173.9 | -60 | 0 | 0 | 0 | 0 | 111.9 | Q39 L41 R47 | Q39-T43 PolarHBondContact O-N 3.23Å; Q39-T43 PolarHBondContact O-OG1 3.36Å; Q39-T43 VanDerWaalsContact O-OG1 3.04Å; L41-T43 VanDerWaalsContact C-N 3.34Å; T43-R47 WeakPolarHBondContact O-CB 3.4Å; T43-R47 PolarHBondContact O-N 3.28Å |
| 44 | L | 95.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 179 | 177.1 | 63.1 | 0 | 0 | 0 | 111.8 | D2 L5 E6 A40 L41 F42 T46 R47 L48 | D2-L44 HydrophobicContact CB-CD2 4.11Å; D2-L44 WeakPolarHBondContact O-CD2 3.16Å; L5-L44 HydrophobicContact CB-CD2 4.1Å; L5-L44 HydrophobicContact CD2-CD2 4.14Å; L5-L44 HydrophobicContact CG-CD2 4.3Å; E6-L44 HydrophobicContact CB-CD1 4.15Å; E6-L44 HydrophobicContact CB-CD2 3.95Å; E6-L44 HydrophobicContact CG-CD1 4.31Å; A40-L44 WeakPolarHBondContact O-CB 3.42Å; A40-L44 PolarHBondContact O-N 2.94Å; L41-L44 PolarHBondContact O-N 2.68Å; F42-L44 PolarHBondContact O-N 3.04Å; L44-T46 VanDerWaalsContact C-N 3.35Å; L44-T46 PolarHBondContact O-N 3.29Å; L44-R47 WeakPolarHBondContact O-CB 3.37Å; L44-R47 PolarHBondContact O-N 3.32Å; L44-R47 VanDerWaalsContact O-N 3.17Å; L44-L48 HydrophobicContact CD1-CD1 4.37Å; L44-L48 HydrophobicContact CD1-CG 4.34Å; L44-L48 HydrophobicContact CG-CD1 4.09Å; L44-L48 HydrophobicContact CG-CG 4.49Å; L44-L48 VanDerWaalsContact O-CG 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.3Å; L44-L48 PolarHBondContact O-N 3Å |
| 45 | T | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -38.8 | -179.2 | 49.1 | 0 | 0 | 0 | 0 | 112 | L5 L41 F42 R47 L48 I49 V64 | L5-T45 HydrophobicContact CD2-CG2 4.39Å; L41-T45 HydrophobicContact CG-CG2 4.44Å; L41-T45 WeakPolarHBondContact O-CB 3.41Å; L41-T45 WeakPolarHBondContact O-CG2 3.33Å; L41-T45 PolarHBondContact O-N 3.25Å; L41-T45 PolarHBondContact O-OG1 3.01Å; F42-T45 WeakPolarHBondContact CA-OG1 3.39Å; F42-T45 PolarHBondContact O-N 3.11Å; F42-T45 PolarHBondContact O-OG1 3.49Å; F42-T45 VanDerWaalsContact O-OG1 3.11Å; T45-R47 VanDerWaalsContact C-N 3.34Å; T45-R47 PolarHBondContact O-N 2.84Å; T45-L48 PolarHBondContact O-N 3Å; T45-I49 WeakPolarHBondContact O-CD1 3.17Å; T45-I49 VanDerWaalsContact O-CG1 3.24Å; T45-I49 WeakPolarHBondContact O-CG1 3.47Å; T45-I49 PolarHBondContact O-N 3.27Å; T45-V64 HydrophobicContact CG2-CB 3.72Å; T45-V64 HydrophobicContact CG2-CG1 3.64Å |
| 46 | T | 96.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.6 | -48.4 | 170.4 | -56.9 | 0 | 0 | 0 | 0 | 111 | F42 L44 L48 I49 L50 F79 F84 Y93 Y106 | F42-T46 VanDerWaalsContact O-CB 3.26Å; F42-T46 WeakPolarHBondContact O-CB 3.47Å; F42-T46 PolarHBondContact O-N 3.39Å; F42-T46 PolarHBondContact O-OG1 3.2Å; L44-T46 VanDerWaalsContact C-N 3.35Å; L44-T46 PolarHBondContact O-N 3.29Å; T46-L48 VanDerWaalsContact C-N 3.3Å; T46-L48 PolarHBondContact O-N 3.41Å; T46-I49 PolarHBondContact O-N 2.95Å; T46-L50 HydrophobicContact CG2-CD1 3.79Å; T46-L50 HydrophobicContact CG2-CG 4.49Å; T46-L50 WeakPolarHBondContact O-CB 3.15Å; T46-L50 PolarHBondContact O-N 3.11Å; T46-F79 WeakPolarHBondContact OG1-CZ 3.3Å; T46-F84 HydrophobicContact CG2-CZ 4.22Å; T46-Y93 HydrophobicContact CG2-CE1 4.46Å; T46-Y93 HydrophobicContact CG2-CE2 3.84Å; T46-Y106 HydrophobicContact CG2-CE1 4.12Å; T46-Y106 HydrophobicContact CG2-CE2 4.08Å; T46-Y106 PolarHBondContact OG1-OH 3.07Å |
| 47 | R | 95.2 | Very high | 93.4 | Very high | 101 Ų | 101 | 42 Ų | 42 | 38% | 0.381 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.7 | -41.8 | 177 | -173.1 | 177.3 | 73.4 | 87.7 | -10.9 | 111.8 | E6 T43 L44 T45 L51 | E6-R47 IonicContact OE1-CZ 3.89Å; E6-R47 IonicContact OE1-NH2 2.86Å; E6-R47 PolarHBondContact OE1-NH2 3.47Å; T43-R47 WeakPolarHBondContact O-CB 3.4Å; T43-R47 PolarHBondContact O-N 3.28Å; L44-R47 WeakPolarHBondContact O-CB 3.37Å; L44-R47 PolarHBondContact O-N 3.32Å; L44-R47 VanDerWaalsContact O-N 3.17Å; T45-R47 VanDerWaalsContact C-N 3.34Å; T45-R47 PolarHBondContact O-N 2.84Å; R47-L51 HydrophobicContact CG-CD1 4.26Å; R47-L51 WeakPolarHBondContact O-CA 3.25Å; R47-L51 WeakPolarHBondContact O-CB 3.42Å; R47-L51 PolarHBondContact O-N 2.92Å |
| 48 | L | 94.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.8 | -36.8 | 179.2 | -67.6 | 170 | 0 | 0 | 0 | 113 | L5 I9 L44 T45 T46 G52 | L5-L48 HydrophobicContact CD2-CD1 4.23Å; L5-L48 HydrophobicContact CG-CD1 4.49Å; I9-L48 HydrophobicContact CD1-CD1 3.19Å; I9-L48 HydrophobicContact CD1-CD2 3.49Å; I9-L48 VanDerWaalsContact CD1-CD2 3.49Å; I9-L48 HydrophobicContact CD1-CG 3.94Å; I9-L48 HydrophobicContact CG2-CD2 4.07Å; L44-L48 HydrophobicContact CD1-CD1 4.37Å; L44-L48 HydrophobicContact CD1-CG 4.34Å; L44-L48 HydrophobicContact CG-CD1 4.09Å; L44-L48 HydrophobicContact CG-CG 4.49Å; L44-L48 VanDerWaalsContact O-CG 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.3Å; L44-L48 PolarHBondContact O-N 3Å; T45-L48 PolarHBondContact O-N 3Å; T46-L48 VanDerWaalsContact C-N 3.3Å; T46-L48 PolarHBondContact O-N 3.41Å; L48-G52 VanDerWaalsContact O-CA 3.23Å; L48-G52 WeakPolarHBondContact O-CA 3.11Å; L48-G52 PolarHBondContact O-N 3.34Å; L48-G52 VanDerWaalsContact O-N 3.11Å |
| 49 | I | 95.4 | Very high | 93.4 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.6 | -47.3 | 178.7 | -65.8 | 159.8 | 0 | 0 | 0 | 110.3 | T45 T46 L62 L65 Y106 | T45-I49 WeakPolarHBondContact O-CD1 3.17Å; T45-I49 VanDerWaalsContact O-CG1 3.24Å; T45-I49 WeakPolarHBondContact O-CG1 3.47Å; T45-I49 PolarHBondContact O-N 3.27Å; T46-I49 PolarHBondContact O-N 2.95Å; I49-L62 HydrophobicContact CD1-CB 4.47Å; I49-L62 HydrophobicContact CD1-CD1 4.49Å; I49-L62 HydrophobicContact CG1-CB 4.4Å; I49-L65 HydrophobicContact CD1-CB 4.17Å; I49-L65 HydrophobicContact CD1-CD2 3.46Å; I49-L65 VanDerWaalsContact CD1-CD2 3.46Å; I49-L65 HydrophobicContact CD1-CG 4.45Å; I49-Y106 HydrophobicContact CB-CD2 4.27Å; I49-Y106 HydrophobicContact CD1-CD2 4.06Å; I49-Y106 HydrophobicContact CD1-CE2 3.91Å; I49-Y106 HydrophobicContact CG2-CD2 3.88Å |
| 50 | L | 94.5 | Very high | 93.3 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.6 | -48.7 | -174.8 | -66.4 | 177.4 | 0 | 0 | 0 | 112.1 | T46 L88 Y93 L96 A102 I103 Y106 | T46-L50 HydrophobicContact CG2-CD1 3.79Å; T46-L50 HydrophobicContact CG2-CG 4.49Å; T46-L50 WeakPolarHBondContact O-CB 3.15Å; T46-L50 PolarHBondContact O-N 3.11Å; L50-L88 HydrophobicContact CD1-CD2 4.34Å; L50-Y93 HydrophobicContact CB-CD1 3.94Å; L50-Y93 HydrophobicContact CB-CE1 4.36Å; L50-Y93 HydrophobicContact CD1-CD1 3.54Å; L50-Y93 HydrophobicContact CD1-CD2 3.95Å; L50-Y93 HydrophobicContact CD1-CE1 4.08Å; L50-Y93 HydrophobicContact CD1-CE2 4.43Å; L50-Y93 HydrophobicContact CD1-CG 3.46Å; L50-Y93 VanDerWaalsContact CD1-CG 3.46Å; L50-Y93 HydrophobicContact CG-CD1 4.39Å; L50-L96 HydrophobicContact CB-CD1 3.85Å; L50-L96 HydrophobicContact CD2-CD1 4.2Å; L50-A102 HydrophobicContact CD2-CB 4.38Å; L50-I103 HydrophobicContact CD2-CG1 4.41Å; L50-Y106 HydrophobicContact CD2-CG 4.1Å; L50-Y106 HydrophobicContact CG-CG 4.39Å |
| 51 | L | 93.9 | Very high | 93.3 | Very high | 55 Ų | 55 | 38.9 Ų | 38.9 | 29% | 0.288 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -107.6 | 10.7 | -171.7 | -56.3 | 176.6 | 0 | 0 | 0 | 114 | R47 Y93 Q95 L96 | R47-L51 HydrophobicContact CG-CD1 4.26Å; R47-L51 WeakPolarHBondContact O-CA 3.25Å; R47-L51 WeakPolarHBondContact O-CB 3.42Å; R47-L51 PolarHBondContact O-N 2.92Å; L51-Y93 HydrophobicContact CD1-CD1 4.05Å; L51-Y93 HydrophobicContact CD1-CE1 3.95Å; L51-Y93 HydrophobicContact CG-CD1 4.13Å; L51-Y93 HydrophobicContact CG-CE1 4.26Å; L51-Q95 HydrophobicContact CD2-CB 4.45Å; L51-L96 HydrophobicContact CD2-CD1 4.29Å; L51-L96 HydrophobicContact CD2-CD2 4.23Å; L51-L96 HydrophobicContact CD2-CG 3.73Å |
| 52 | G | 90.4 | Very high | 93.3 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | trans | -65.2 | 133.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L48 N54 K58 | L48-G52 VanDerWaalsContact O-CA 3.23Å; L48-G52 WeakPolarHBondContact O-CA 3.11Å; L48-G52 PolarHBondContact O-N 3.34Å; L48-G52 VanDerWaalsContact O-N 3.11Å; G52-N54 VanDerWaalsContact C-N 3.28Å; G52-N54 PolarHBondContact O-N 3.13Å; G52-K58 WeakPolarHBondContact O-CE 3.44Å | ||
| 53 | D | 86 | Confident | 93.2 | Very high | 147 Ų | 147 | 45.2 Ų | 45.2 | 79% | 0.786 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -70.1 | -24.2 | -173.5 | -59.2 | -46.8 | 0 | 0 | 0 | 113.3 | ||
| 54 | N | 89.1 | Confident | 93.2 | Very high | 73 Ų | 73 | 42.1 Ų | 42.1 | 39% | 0.39 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -141.2 | 160.4 | -177.4 | 60.7 | 55.5 | 0 | 0 | 0 | 112 | G52 F56 Q57 K58 | G52-N54 VanDerWaalsContact C-N 3.28Å; G52-N54 PolarHBondContact O-N 3.13Å; N54-F56 PolarHBondContact O-N 2.83Å; N54-F56 VanDerWaalsContact O-N 3.11Å; N54-F56 WeakPolarHBondContact OD1-CB 3.21Å; N54-F56 PolarHBondContact OD1-N 3.33Å; N54-Q57 PolarHBondContact O-N 3.41Å; N54-Q57 VanDerWaalsContact O-N 3.13Å; N54-Q57 WeakPolarHBondContact OD1-CG 3.38Å; N54-Q57 PolarHBondContact OD1-N 2.84Å; N54-K58 PolarHBondContact O-N 2.95Å |
| 55 | A | 89.8 | Confident | 93.3 | Very high | 82 Ų | 82 | 41.7 Ų | 41.7 | 68% | 0.678 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -57 | -29.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q59 | A55-Q59 VanDerWaalsContact O-CB 3.3Å; A55-Q59 WeakPolarHBondContact O-CB 3.5Å; A55-Q59 PolarHBondContact O-N 3.4Å |
| 56 | F | 90.3 | Very high | 93.2 | Very high | 36 Ų | 36 | 45.3 Ų | 45.3 | 16% | 0.158 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.3 | -44.4 | 178.3 | 177.6 | -108.9 | 0 | 0 | 0 | 112.3 | V15 K18 R19 N54 Q59 I60 | V15-F56 HydrophobicContact CG1-CD2 4.35Å; V15-F56 HydrophobicContact CG1-CE2 3.89Å; V15-F56 HydrophobicContact CG1-CZ 4.14Å; K18-F56 HydrophobicContact CB-CE1 3.91Å; K18-F56 HydrophobicContact CB-CZ 3.74Å; K18-F56 HydrophobicContact CD-CE1 3.83Å; K18-F56 HydrophobicContact CD-CZ 4.49Å; R19-F56 HydrophobicContact CG-CE2 3.76Å; R19-F56 HydrophobicContact CG-CZ 4.11Å; N54-F56 PolarHBondContact O-N 2.83Å; N54-F56 VanDerWaalsContact O-N 3.11Å; N54-F56 WeakPolarHBondContact OD1-CB 3.21Å; N54-F56 PolarHBondContact OD1-N 3.33Å; F56-Q59 PolarHBondContact O-N 3.49Å; F56-I60 HydrophobicContact CD1-CD1 3.65Å; F56-I60 HydrophobicContact CD2-CD1 4.21Å; F56-I60 HydrophobicContact CE1-CD1 3.17Å; F56-I60 HydrophobicContact CE1-CG1 4.36Å; F56-I60 HydrophobicContact CE2-CD1 3.78Å; F56-I60 HydrophobicContact CE2-CG1 4.2Å; F56-I60 HydrophobicContact CG-CD1 4.16Å; F56-I60 HydrophobicContact CZ-CD1 3.28Å; F56-I60 HydrophobicContact CZ-CG1 4.16Å; F56-I60 WeakPolarHBondContact O-CG1 3.39Å; F56-I60 PolarHBondContact O-N 3.11Å |
| 57 | Q | 91.6 | Very high | 93.2 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 175.3 | -73 | -178.6 | 6.1 | 0 | 0 | 111.7 | I9 N54 Q59 I60 G61 | I9-Q57 HydrophobicContact CG2-CG 3.59Å; N54-Q57 PolarHBondContact O-N 3.41Å; N54-Q57 VanDerWaalsContact O-N 3.13Å; N54-Q57 WeakPolarHBondContact OD1-CG 3.38Å; N54-Q57 PolarHBondContact OD1-N 2.84Å; Q57-Q59 VanDerWaalsContact C-N 3.31Å; Q57-Q59 PolarHBondContact O-N 2.86Å; Q57-I60 PolarHBondContact O-N 2.78Å; Q57-G61 PolarHBondContact O-N 3.06Å |
| 58 | K | 93.1 | Very high | 93.2 | Very high | 86 Ų | 86 | 41.2 Ų | 41.2 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 177.5 | -61.3 | -169.3 | -179.9 | -165 | 0 | 111.4 | G52 N54 G61 L62 | G52-K58 WeakPolarHBondContact O-CE 3.44Å; N54-K58 PolarHBondContact O-N 2.95Å; K58-G61 PolarHBondContact O-N 3.33Å; K58-L62 PolarHBondContact O-N 3.34Å |
| 59 | Q | 93.2 | Very high | 93.2 | Very high | 92 Ų | 92 | 41 Ų | 41 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 177.2 | -174.6 | 176.9 | 14.4 | 0 | 0 | 112.6 | A55 F56 Q57 L62 Q63 | A55-Q59 VanDerWaalsContact O-CB 3.3Å; A55-Q59 WeakPolarHBondContact O-CB 3.5Å; A55-Q59 PolarHBondContact O-N 3.4Å; F56-Q59 PolarHBondContact O-N 3.49Å; Q57-Q59 VanDerWaalsContact C-N 3.31Å; Q57-Q59 PolarHBondContact O-N 2.86Å; Q59-L62 PolarHBondContact O-N 3.21Å; Q59-Q63 WeakPolarHBondContact O-CG 3.27Å; Q59-Q63 PolarHBondContact O-N 2.92Å |
| 60 | I | 93.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 176.1 | -71 | 166.1 | 0 | 0 | 0 | 110.7 | L5 I9 V22 F56 Q57 L62 Q63 V64 | L5-I60 HydrophobicContact CD1-CG2 3.79Å; I9-I60 HydrophobicContact CD1-CG2 4.45Å; V22-I60 HydrophobicContact CB-CG2 4.5Å; V22-I60 HydrophobicContact CG1-CG1 4.26Å; V22-I60 HydrophobicContact CG1-CG2 3.91Å; V22-I60 HydrophobicContact CG2-CB 4.48Å; V22-I60 HydrophobicContact CG2-CD1 3.79Å; V22-I60 HydrophobicContact CG2-CG1 3.94Å; V22-I60 HydrophobicContact CG2-CG2 3.69Å; F56-I60 HydrophobicContact CD1-CD1 3.65Å; F56-I60 HydrophobicContact CD2-CD1 4.21Å; F56-I60 HydrophobicContact CE1-CD1 3.17Å; F56-I60 HydrophobicContact CE1-CG1 4.36Å; F56-I60 HydrophobicContact CE2-CD1 3.78Å; F56-I60 HydrophobicContact CE2-CG1 4.2Å; F56-I60 HydrophobicContact CG-CD1 4.16Å; F56-I60 HydrophobicContact CZ-CD1 3.28Å; F56-I60 HydrophobicContact CZ-CG1 4.16Å; F56-I60 WeakPolarHBondContact O-CG1 3.39Å; F56-I60 PolarHBondContact O-N 3.11Å; Q57-I60 PolarHBondContact O-N 2.78Å; I60-L62 PolarHBondContact O-N 3.04Å; I60-Q63 PolarHBondContact O-N 3.47Å; I60-V64 HydrophobicContact CG2-CG2 4.16Å; I60-V64 WeakPolarHBondContact O-CG2 3.44Å; I60-V64 PolarHBondContact O-N 2.95Å |
| 61 | G | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.1 | -47.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q57 K58 L65 | Q57-G61 PolarHBondContact O-N 3.06Å; K58-G61 PolarHBondContact O-N 3.33Å; G61-L65 WeakPolarHBondContact O-CB 3.15Å; G61-L65 PolarHBondContact O-N 2.85Å |
| 62 | L | 94.8 | Very high | 93.1 | Very high | 51 Ų | 51 | 51.2 Ų | 51.2 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 177.2 | -172.4 | 67.8 | 0 | 0 | 0 | 112.5 | I49 K58 Q59 I60 V64 L65 E66 C109 | I49-L62 HydrophobicContact CD1-CB 4.47Å; I49-L62 HydrophobicContact CD1-CD1 4.49Å; I49-L62 HydrophobicContact CG1-CB 4.4Å; K58-L62 PolarHBondContact O-N 3.34Å; Q59-L62 PolarHBondContact O-N 3.21Å; I60-L62 PolarHBondContact O-N 3.04Å; L62-V64 PolarHBondContact O-N 3.46Å; L62-L65 PolarHBondContact O-N 2.7Å; L62-E66 HydrophobicContact CD1-CG 4.35Å; L62-E66 HydrophobicContact CG-CG 4.41Å; L62-E66 WeakPolarHBondContact O-CB 3.45Å; L62-E66 WeakPolarHBondContact O-CG 3.5Å; L62-E66 PolarHBondContact O-N 3.47Å; L62-C109 HydrophobicContact CD1-CB 4.18Å |
| 63 | Q | 94.8 | Very high | 93.2 | Very high | 86 Ų | 86 | 56.1 Ų | 56.1 | 40% | 0.402 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | -179.7 | -76.3 | 179.5 | -7.1 | 0 | 0 | 112.9 | Q59 I60 A67 | Q59-Q63 WeakPolarHBondContact O-CG 3.27Å; Q59-Q63 PolarHBondContact O-N 2.92Å; I60-Q63 PolarHBondContact O-N 3.47Å; Q63-A67 WeakPolarHBondContact O-CB 3.43Å; Q63-A67 PolarHBondContact O-N 3.44Å |
| 64 | V | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.7 | -41.4 | 179.4 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | L5 V22 V25 V26 L41 T45 I60 L62 A67 Y68 | L5-V64 HydrophobicContact CD2-CB 4.37Å; L5-V64 HydrophobicContact CD2-CG1 4.14Å; L5-V64 HydrophobicContact CD2-CG2 4.04Å; V22-V64 HydrophobicContact CG1-CG2 4.29Å; V25-V64 HydrophobicContact CG1-CG1 4.03Å; V25-V64 HydrophobicContact CG1-CG2 4.13Å; V26-V64 HydrophobicContact CG2-CG2 4.02Å; L41-V64 HydrophobicContact CD1-CG1 4.3Å; L41-V64 HydrophobicContact CD2-CG1 3.8Å; L41-V64 HydrophobicContact CG-CG1 4.15Å; T45-V64 HydrophobicContact CG2-CB 3.72Å; T45-V64 HydrophobicContact CG2-CG1 3.64Å; I60-V64 HydrophobicContact CG2-CG2 4.16Å; I60-V64 WeakPolarHBondContact O-CG2 3.44Å; I60-V64 PolarHBondContact O-N 2.95Å; L62-V64 PolarHBondContact O-N 3.46Å; V64-A67 PolarHBondContact O-N 3.42Å; V64-Y68 HydrophobicContact CG1-CD2 3.86Å; V64-Y68 HydrophobicContact CG1-CE2 4.07Å; V64-Y68 WeakPolarHBondContact O-CD2 3.5Å; V64-Y68 PolarHBondContact O-N 3Å |
| 65 | L | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.3 | -50.6 | 175.8 | -179.6 | 65 | 0 | 0 | 0 | 111.6 | F42 I49 G61 L62 A67 Y68 A69 F76 Y106 | F42-L65 HydrophobicContact CD1-CD1 3.64Å; F42-L65 HydrophobicContact CE1-CD1 4.19Å; I49-L65 HydrophobicContact CD1-CB 4.17Å; I49-L65 HydrophobicContact CD1-CD2 3.46Å; I49-L65 VanDerWaalsContact CD1-CD2 3.46Å; I49-L65 HydrophobicContact CD1-CG 4.45Å; G61-L65 WeakPolarHBondContact O-CB 3.15Å; G61-L65 PolarHBondContact O-N 2.85Å; L62-L65 PolarHBondContact O-N 2.7Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 3.2Å; L65-Y68 PolarHBondContact O-N 3.24Å; L65-A69 WeakPolarHBondContact O-CB 3.47Å; L65-A69 PolarHBondContact O-N 3.01Å; L65-F76 HydrophobicContact CD1-CD2 4.39Å; L65-F76 HydrophobicContact CD1-CE2 3.88Å; L65-Y106 HydrophobicContact CD2-CE2 3.76Å |
| 66 | E | 95.6 | Very high | 94 | Very high | 77 Ų | 77 | 48 Ų | 48 | 36% | 0.36 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.4 | -40.2 | -179.7 | -74.9 | -178.9 | 172.3 | 0 | 0 | 112.3 | L62 R70 L113 | L62-E66 HydrophobicContact CD1-CG 4.35Å; L62-E66 HydrophobicContact CG-CG 4.41Å; L62-E66 WeakPolarHBondContact O-CB 3.45Å; L62-E66 WeakPolarHBondContact O-CG 3.5Å; L62-E66 PolarHBondContact O-N 3.47Å; E66-R70 VanDerWaalsContact O-CB 3.25Å; E66-R70 WeakPolarHBondContact O-CB 3.4Å; E66-R70 PolarHBondContact O-N 3.38Å; E66-R70 VanDerWaalsContact O-N 3.09Å; E66-L113 HydrophobicContact CG-CD1 4.3Å; E66-L113 HydrophobicContact CG-CD2 4.28Å |
| 67 | A | 95.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.6 | -52.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V26 A29 Q63 V64 L65 R70 Y71 | V26-A67 HydrophobicContact CB-CB 4.45Å; V26-A67 HydrophobicContact CG1-CB 3.76Å; V26-A67 HydrophobicContact CG2-CB 4.48Å; A29-A67 HydrophobicContact CB-CB 4.15Å; Q63-A67 WeakPolarHBondContact O-CB 3.43Å; Q63-A67 PolarHBondContact O-N 3.44Å; V64-A67 PolarHBondContact O-N 3.42Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 3.2Å; A67-R70 WeakPolarHBondContact O-CB 3.41Å; A67-R70 PolarHBondContact O-N 2.89Å; A67-Y71 VanDerWaalsContact O-CD2 3.28Å; A67-Y71 WeakPolarHBondContact O-CD2 3.25Å; A67-Y71 PolarHBondContact O-N 3.38Å; A67-Y71 VanDerWaalsContact O-N 3.17Å |
| 68 | Y | 95.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.8 | -36.8 | -178.6 | -86.1 | -100.3 | 0 | 0 | 0 | 112.6 | V25 A29 V33 L41 V64 L65 R70 Y71 H72 | V25-Y68 WeakPolarHBondContact O-CE2 3.21Å; A29-Y68 HydrophobicContact CB-CD1 4.23Å; A29-Y68 HydrophobicContact CB-CD2 3.53Å; A29-Y68 HydrophobicContact CB-CE1 4.24Å; A29-Y68 HydrophobicContact CB-CE2 3.57Å; A29-Y68 HydrophobicContact CB-CG 3.89Å; V33-Y68 HydrophobicContact CG2-CE1 4.26Å; L41-Y68 HydrophobicContact CD2-CD1 3.32Å; L41-Y68 HydrophobicContact CD2-CD2 3.19Å; L41-Y68 HydrophobicContact CD2-CE1 3.35Å; L41-Y68 HydrophobicContact CD2-CE2 3.2Å; L41-Y68 HydrophobicContact CD2-CG 3.25Å; V64-Y68 HydrophobicContact CG1-CD2 3.86Å; V64-Y68 HydrophobicContact CG1-CE2 4.07Å; V64-Y68 WeakPolarHBondContact O-CD2 3.5Å; V64-Y68 PolarHBondContact O-N 3Å; L65-Y68 PolarHBondContact O-N 3.24Å; Y68-R70 VanDerWaalsContact C-N 3.26Å; Y68-R70 PolarHBondContact O-N 3.08Å; Y68-Y71 PolarHBondContact O-N 3.25Å; Y68-H72 AromaticContact CD1-CD2 3.65Å; Y68-H72 WeakPolarHBondContact O-CA 2.99Å; Y68-H72 WeakPolarHBondContact O-CB 3.49Å; Y68-H72 PolarHBondContact O-N 2.98Å |
| 69 | A | 94.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.5 | -29.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F42 L65 R73 F76 L113 | F42-A69 HydrophobicContact CE1-CB 4.39Å; L65-A69 WeakPolarHBondContact O-CB 3.47Å; L65-A69 PolarHBondContact O-N 3.01Å; A69-R73 WeakPolarHBondContact O-CG 3.1Å; A69-F76 HydrophobicContact CB-CB 4.13Å; A69-F76 HydrophobicContact CB-CD1 3.92Å; A69-F76 HydrophobicContact CB-CD2 3.77Å; A69-F76 HydrophobicContact CB-CE1 4.28Å; A69-F76 HydrophobicContact CB-CE2 4.16Å; A69-F76 HydrophobicContact CB-CG 3.64Å; A69-F76 HydrophobicContact CB-CZ 4.39Å; A69-L113 HydrophobicContact CB-CB 4.34Å; A69-L113 HydrophobicContact CB-CD1 3.85Å; A69-L113 HydrophobicContact CB-CG 4.48Å |
| 70 | R | 93.5 | Very high | 94.3 | Very high | 163 Ų | 163 | 46 Ų | 46 | 62% | 0.615 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -71.4 | -44.7 | 176.2 | 178.3 | 179.9 | -75.9 | 141.5 | -0.4 | 112.1 | E66 A67 Y68 | E66-R70 VanDerWaalsContact O-CB 3.25Å; E66-R70 WeakPolarHBondContact O-CB 3.4Å; E66-R70 PolarHBondContact O-N 3.38Å; E66-R70 VanDerWaalsContact O-N 3.09Å; A67-R70 WeakPolarHBondContact O-CB 3.41Å; A67-R70 PolarHBondContact O-N 2.89Å; Y68-R70 VanDerWaalsContact C-N 3.26Å; Y68-R70 PolarHBondContact O-N 3.08Å |
| 71 | Y | 93.5 | Very high | 94.3 | Very high | 117 Ų | 117 | 47.9 Ų | 47.9 | 46% | 0.459 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -84.4 | -30.9 | -177.7 | -71.7 | -73.3 | 0 | 0 | 0 | 113.2 | A29 E30 A67 Y68 | A29-Y71 HydrophobicContact CB-CD2 3.84Å; A29-Y71 WeakPolarHBondContact O-CB 3.37Å; E30-Y71 HydrophobicContact CG-CD2 4.35Å; E30-Y71 HydrophobicContact CG-CE1 4.04Å; E30-Y71 HydrophobicContact CG-CE2 3.7Å; E30-Y71 PolarHBondContact OE1-OH 3.39Å; A67-Y71 VanDerWaalsContact O-CD2 3.28Å; A67-Y71 WeakPolarHBondContact O-CD2 3.25Å; A67-Y71 PolarHBondContact O-N 3.38Å; A67-Y71 VanDerWaalsContact O-N 3.17Å; Y68-Y71 PolarHBondContact O-N 3.25Å |
| 72 | H | 94.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 7% | 0.069 | 24% | 0.241 | C | C | . | . | trans | -118.5 | 59.3 | -178.6 | -53.2 | -70.2 | 0 | 0 | 0 | 111.4 | A29 N31 Y68 E75 F76 | A29-H72 PolarHBondContact O-NE2 3.41Å; N31-H72 PolarHBondContact O-CE1 2.8Å; Y68-H72 AromaticContact CD1-CD2 3.65Å; Y68-H72 WeakPolarHBondContact O-CA 2.99Å; Y68-H72 WeakPolarHBondContact O-CB 3.49Å; Y68-H72 PolarHBondContact O-N 2.98Å; H72-E75 VanDerWaalsContact C-OE2 3.31Å; H72-E75 WeakPolarHBondContact CA-OE2 3.4Å; H72-E75 HydrophobicContact CB-CB 4.42Å; H72-E75 WeakPolarHBondContact CB-OE2 3.23Å; H72-F76 WeakPolarHBondContact O-CB 3.24Å; H72-F76 PolarHBondContact O-N 3.37Å; H72-F76 VanDerWaalsContact O-N 3.07Å | ||
| 73 | R | 92.2 | Very high | 94.2 | Very high | 111 Ų | 111 | 54.6 Ų | 54.6 | 42% | 0.419 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | -177.7 | -98.4 | -169.9 | -174.4 | 137.3 | -1.3 | 114.6 | A69 E75 F76 E77 S116 | A69-R73 WeakPolarHBondContact O-CG 3.1Å; R73-E75 VanDerWaalsContact C-N 3.3Å; R73-E75 PolarHBondContact O-N 3.23Å; R73-F76 PolarHBondContact O-N 3.4Å; R73-E77 WeakPolarHBondContact O-CB 3.29Å; R73-E77 PolarHBondContact O-N 3.1Å; R73-S116 PolarHBondContact NE-OG 3Å; R73-S116 PolarHBondContact NH2-OG 3.27Å |
| 74 | P | 92.1 | Very high | 94.2 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.7 | -39.7 | -178.9 | -23.9 | 34.6 | 0 | 0 | 0 | 112.5 | E77 L78 | P74-E77 PolarHBondContact O-N 3.19Å; P74-L78 WeakPolarHBondContact O-CG 3.49Å; P74-L78 PolarHBondContact O-N 3.33Å; P74-L78 VanDerWaalsContact O-N 3.1Å |
| 75 | E | 94.1 | Very high | 94.2 | Very high | 55 Ų | 55 | 52.8 Ų | 52.8 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.2 | -39.2 | 176.8 | -62.5 | 72.3 | -160.2 | 0 | 0 | 111 | Q35 C38 F42 H72 R73 L78 F79 | Q35-E75 HydrophobicContact CG-CG 4.39Å; C38-E75 HydrophobicContact CB-CB 3.93Å; C38-E75 HydrophobicContact CB-CG 4.2Å; F42-E75 HydrophobicContact CE2-CB 4.18Å; H72-E75 VanDerWaalsContact C-OE2 3.31Å; H72-E75 WeakPolarHBondContact CA-OE2 3.4Å; H72-E75 HydrophobicContact CB-CB 4.42Å; H72-E75 WeakPolarHBondContact CB-OE2 3.23Å; R73-E75 VanDerWaalsContact C-N 3.3Å; R73-E75 PolarHBondContact O-N 3.23Å; E75-L78 PolarHBondContact O-N 3.26Å; E75-F79 WeakPolarHBondContact O-CB 3.44Å; E75-F79 PolarHBondContact O-N 3.36Å |
| 76 | F | 94.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 174.4 | -176.5 | -108 | 0 | 0 | 0 | 112.3 | F42 L65 A69 H72 R73 F79 F80 C110 L113 L114 | F42-F76 HydrophobicContact CD1-CD2 4.08Å; F42-F76 HydrophobicContact CD2-CD2 4.47Å; F42-F76 HydrophobicContact CE1-CB 4.41Å; F42-F76 AromaticContact CE1-CD2 3.84Å; F42-F76 HydrophobicContact CE1-CD2 3.84Å; F42-F76 HydrophobicContact CE2-CB 3.96Å; F42-F76 HydrophobicContact CE2-CD2 4.26Å; F42-F76 HydrophobicContact CG-CD2 4.41Å; F42-F76 HydrophobicContact CZ-CB 3.72Å; F42-F76 AromaticContact CZ-CD2 3.95Å; F42-F76 HydrophobicContact CZ-CD2 3.95Å; F42-F76 HydrophobicContact CZ-CG 4.31Å; L65-F76 HydrophobicContact CD1-CD2 4.39Å; L65-F76 HydrophobicContact CD1-CE2 3.88Å; A69-F76 HydrophobicContact CB-CB 4.13Å; A69-F76 HydrophobicContact CB-CD1 3.92Å; A69-F76 HydrophobicContact CB-CD2 3.77Å; A69-F76 HydrophobicContact CB-CE1 4.28Å; A69-F76 HydrophobicContact CB-CE2 4.16Å; A69-F76 HydrophobicContact CB-CG 3.64Å; A69-F76 HydrophobicContact CB-CZ 4.39Å; H72-F76 WeakPolarHBondContact O-CB 3.24Å; H72-F76 PolarHBondContact O-N 3.37Å; H72-F76 VanDerWaalsContact O-N 3.07Å; R73-F76 PolarHBondContact O-N 3.4Å; F76-F79 HydrophobicContact CD2-CD1 4.45Å; F76-F79 HydrophobicContact CE2-CD1 4.42Å; F76-F79 PolarHBondContact O-N 2.83Å; F76-F80 HydrophobicContact CE1-CB 4.2Å; F76-F80 HydrophobicContact CE2-CB 4.2Å; F76-F80 HydrophobicContact CZ-CB 3.95Å; F76-F80 HydrophobicContact CZ-CG 4.23Å; F76-F80 WeakPolarHBondContact O-CB 3.37Å; F76-F80 PolarHBondContact O-N 2.55Å; F76-C110 HydrophobicContact CZ-CB 3.93Å; F76-L113 HydrophobicContact CD1-CB 4.45Å; F76-L113 HydrophobicContact CE1-CB 3.81Å; F76-L113 HydrophobicContact CZ-CB 4.37Å; F76-L113 HydrophobicContact CZ-CD1 4.28Å; F76-L114 HydrophobicContact CD1-CD1 4.16Å; F76-L114 HydrophobicContact CE1-CD1 4.28Å |
| 77 | E | 93.6 | Very high | 94.1 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 24% | 0.243 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 174.7 | 163.1 | 165.3 | -133.9 | 0 | 0 | 112.2 | R73 P74 L114 S119 | R73-E77 WeakPolarHBondContact O-CB 3.29Å; R73-E77 PolarHBondContact O-N 3.1Å; P74-E77 PolarHBondContact O-N 3.19Å; E77-L114 HydrophobicContact CB-CD1 4.02Å; E77-S119 VanDerWaalsContact CD-OG 3.25Å; E77-S119 VanDerWaalsContact CG-OG 3.25Å; E77-S119 WeakPolarHBondContact CG-OG 3.28Å; E77-S119 WeakPolarHBondContact OE1-CB 3.48Å; E77-S119 PolarHBondContact OE1-N 2.88Å; E77-S119 PolarHBondContact OE1-OG 3.35Å |
| 78 | L | 92.5 | Very high | 94.1 | Very high | 113 Ų | 113 | 52.1 Ų | 52.1 | 59% | 0.592 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -68 | -36 | 173.6 | -71.3 | 169.1 | 0 | 0 | 0 | 112.4 | P74 E75 | P74-L78 WeakPolarHBondContact O-CG 3.49Å; P74-L78 PolarHBondContact O-N 3.33Å; P74-L78 VanDerWaalsContact O-N 3.1Å; E75-L78 PolarHBondContact O-N 3.26Å |
| 79 | F | 94.6 | Very high | 94 | Very high | 28 Ų | 28 | 52 Ų | 52 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.4 | -51.1 | 178.7 | 175.5 | -96.6 | 0 | 0 | 0 | 112.3 | Q39 F42 T46 E75 F76 C81 F84 | Q39-F79 HydrophobicContact CG-CD2 4.44Å; F42-F79 HydrophobicContact CB-CD1 3.7Å; F42-F79 HydrophobicContact CB-CD2 3.79Å; F42-F79 HydrophobicContact CB-CE1 3.68Å; F42-F79 HydrophobicContact CB-CE2 3.77Å; F42-F79 HydrophobicContact CB-CG 3.75Å; F42-F79 HydrophobicContact CB-CZ 3.72Å; F42-F79 HydrophobicContact CD2-CB 3.93Å; F42-F79 HydrophobicContact CD2-CD1 4.34Å; F42-F79 HydrophobicContact CD2-CD2 4.46Å; F42-F79 AromaticContact CD2-CG 3.99Å; F42-F79 HydrophobicContact CD2-CG 3.99Å; F42-F79 HydrophobicContact CG-CD1 4.17Å; F42-F79 HydrophobicContact CG-CG 4.19Å; T46-F79 WeakPolarHBondContact OG1-CZ 3.3Å; E75-F79 WeakPolarHBondContact O-CB 3.44Å; E75-F79 PolarHBondContact O-N 3.36Å; F76-F79 HydrophobicContact CD2-CD1 4.45Å; F76-F79 HydrophobicContact CE2-CD1 4.42Å; F76-F79 PolarHBondContact O-N 2.83Å; F79-C81 PolarHBondContact O-N 3.11Å; F79-C81 VanDerWaalsContact O-N 3.07Å; F79-F84 HydrophobicContact CE1-CE1 4.22Å; F79-F84 HydrophobicContact CZ-CE1 4.45Å; F79-F84 HydrophobicContact CZ-CZ 4.39Å |
| 80 | F | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -87.9 | 54.7 | -179.6 | -164.5 | -104.3 | 0 | 0 | 0 | 110.8 | F76 F84 V85 Y106 I107 C110 L111 L114 T123 | F76-F80 HydrophobicContact CE1-CB 4.2Å; F76-F80 HydrophobicContact CE2-CB 4.2Å; F76-F80 HydrophobicContact CZ-CB 3.95Å; F76-F80 HydrophobicContact CZ-CG 4.23Å; F76-F80 WeakPolarHBondContact O-CB 3.37Å; F76-F80 PolarHBondContact O-N 2.55Å; F80-F84 AromaticContact CD2-CD1 3.92Å; F80-F84 HydrophobicContact CD2-CD1 3.92Å; F80-F84 HydrophobicContact CD2-CE1 4.14Å; F80-F84 HydrophobicContact CE2-CD1 4.36Å; F80-F84 HydrophobicContact CE2-CE1 4.47Å; F80-V85 HydrophobicContact CD1-CG2 4.11Å; F80-V85 HydrophobicContact CD2-CG2 4.28Å; F80-V85 HydrophobicContact CE1-CG2 3.59Å; F80-V85 HydrophobicContact CE2-CG2 3.77Å; F80-V85 HydrophobicContact CG-CG2 4.43Å; F80-V85 HydrophobicContact CZ-CG2 3.4Å; F80-V85 VanDerWaalsContact CZ-CG2 3.4Å; F80-Y106 HydrophobicContact CD2-CE1 4.33Å; F80-Y106 HydrophobicContact CE2-CD1 4.48Å; F80-Y106 AromaticContact CE2-CE1 3.9Å; F80-Y106 HydrophobicContact CE2-CE1 3.9Å; F80-I107 HydrophobicContact CZ-CB 4.44Å; F80-I107 HydrophobicContact CZ-CG1 4.34Å; F80-I107 HydrophobicContact CZ-CG2 4.26Å; F80-C110 HydrophobicContact CD1-CB 3.93Å; F80-C110 HydrophobicContact CD2-CB 3.77Å; F80-C110 HydrophobicContact CE1-CB 3.6Å; F80-C110 HydrophobicContact CE2-CB 3.43Å; F80-C110 VanDerWaalsContact CE2-CB 3.43Å; F80-C110 HydrophobicContact CG-CB 4Å; F80-C110 HydrophobicContact CZ-CB 3.34Å; F80-L111 HydrophobicContact CE1-CD2 4.43Å; F80-L114 HydrophobicContact CD1-CD2 4.29Å; F80-T123 HydrophobicContact CE1-CG2 4.43Å |
| 81 | C | 92.8 | Very high | 94 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 29% | 0.291 | 28% | 0.276 | S | S | . | . | trans | -80.3 | 168 | -179.3 | 73 | 0 | 0 | 0 | 0 | 112.2 | F79 D83 F84 V85 | F79-C81 PolarHBondContact O-N 3.11Å; F79-C81 VanDerWaalsContact O-N 3.07Å; C81-D83 VanDerWaalsContact C-N 3.27Å; C81-D83 PolarHBondContact O-N 3.25Å; C81-F84 WeakPolarHBondContact O-CB 3.25Å; C81-F84 PolarHBondContact O-N 2.94Å; C81-F84 VanDerWaalsContact O-N 3.13Å; C81-V85 PolarHBondContact O-N 3.46Å; C81-V85 VanDerWaalsContact O-N 3.09Å | ||
| 82 | K | 92.8 | Very high | 94 | Very high | 82 Ų | 82 | 51.2 Ų | 51.2 | 36% | 0.357 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.5 | -37.8 | -179.6 | 71.2 | -177.9 | 169.8 | -157.2 | 0 | 113.8 | F84 V85 L86 E122 V126 | K82-F84 VanDerWaalsContact C-N 3.34Å; K82-V85 PolarHBondContact O-N 3.17Å; K82-L86 WeakPolarHBondContact O-CB 3.49Å; K82-L86 PolarHBondContact O-N 2.86Å; K82-E122 WeakPolarHBondContact CD-OE2 3.26Å; K82-E122 IonicContact NZ-OE2 3.02Å; K82-E122 PolarHBondContact NZ-OE2 2.95Å; K82-V126 HydrophobicContact CB-CG2 4.05Å |
| 83 | D | 94.2 | Very high | 94 | Very high | 110 Ų | 110 | 52.6 Ų | 52.6 | 59% | 0.588 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -70.8 | -34.8 | -178.1 | -61.3 | -36.8 | 0 | 0 | 0 | 111 | C81 G87 | C81-D83 VanDerWaalsContact C-N 3.27Å; C81-D83 PolarHBondContact O-N 3.25Å; D83-G87 PolarHBondContact O-N 3.04Å |
| 84 | F | 94.8 | Very high | 94 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -45.7 | 174.4 | -177.1 | -113.1 | 0 | 0 | 0 | 111.4 | T46 F79 F80 C81 K82 L86 G87 L88 Y93 Y106 | T46-F84 HydrophobicContact CG2-CZ 4.22Å; F79-F84 HydrophobicContact CE1-CE1 4.22Å; F79-F84 HydrophobicContact CZ-CE1 4.45Å; F79-F84 HydrophobicContact CZ-CZ 4.39Å; F80-F84 AromaticContact CD2-CD1 3.92Å; F80-F84 HydrophobicContact CD2-CD1 3.92Å; F80-F84 HydrophobicContact CD2-CE1 4.14Å; F80-F84 HydrophobicContact CE2-CD1 4.36Å; F80-F84 HydrophobicContact CE2-CE1 4.47Å; C81-F84 WeakPolarHBondContact O-CB 3.25Å; C81-F84 PolarHBondContact O-N 2.94Å; C81-F84 VanDerWaalsContact O-N 3.13Å; K82-F84 VanDerWaalsContact C-N 3.34Å; F84-L86 VanDerWaalsContact C-N 3.33Å; F84-L86 PolarHBondContact O-N 3.37Å; F84-G87 PolarHBondContact O-N 3.2Å; F84-L88 HydrophobicContact CD1-CD1 4.1Å; F84-L88 HydrophobicContact CE1-CD1 3.64Å; F84-L88 HydrophobicContact CE1-CG 4.22Å; F84-L88 HydrophobicContact CE2-CD2 4.46Å; F84-L88 HydrophobicContact CE2-CG 4.44Å; F84-L88 HydrophobicContact CZ-CD1 3.97Å; F84-L88 HydrophobicContact CZ-CD2 4.14Å; F84-L88 HydrophobicContact CZ-CG 4.14Å; F84-L88 WeakPolarHBondContact O-CG 3.37Å; F84-L88 PolarHBondContact O-N 2.93Å; F84-Y93 HydrophobicContact CE2-CE2 4.49Å; F84-Y93 HydrophobicContact CZ-CE2 4.41Å; F84-Y106 HydrophobicContact CE1-CE1 4.11Å |
| 85 | V | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.8 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | F80 C81 K82 L88 L89 I107 T123 I127 | F80-V85 HydrophobicContact CD1-CG2 4.11Å; F80-V85 HydrophobicContact CD2-CG2 4.28Å; F80-V85 HydrophobicContact CE1-CG2 3.59Å; F80-V85 HydrophobicContact CE2-CG2 3.77Å; F80-V85 HydrophobicContact CG-CG2 4.43Å; F80-V85 HydrophobicContact CZ-CG2 3.4Å; F80-V85 VanDerWaalsContact CZ-CG2 3.4Å; C81-V85 PolarHBondContact O-N 3.46Å; C81-V85 VanDerWaalsContact O-N 3.09Å; K82-V85 PolarHBondContact O-N 3.17Å; V85-L88 PolarHBondContact O-N 3.32Å; V85-L89 HydrophobicContact CG1-CD1 3.99Å; V85-L89 WeakPolarHBondContact O-CG 3.3Å; V85-L89 PolarHBondContact O-N 3.49Å; V85-I107 HydrophobicContact CG1-CD1 4.25Å; V85-T123 HydrophobicContact CB-CG2 4.45Å; V85-T123 HydrophobicContact CG1-CG2 4.34Å; V85-T123 HydrophobicContact CG2-CG2 3.96Å; V85-I127 HydrophobicContact CG1-CD1 4.46Å; V85-I127 HydrophobicContact CG1-CG1 4.17Å |
| 86 | L | 95.2 | Very high | 93.8 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 175.6 | -171 | 63.5 | 0 | 0 | 0 | 111.6 | K82 F84 L88 L89 Q90 V126 E130 | K82-L86 WeakPolarHBondContact O-CB 3.49Å; K82-L86 PolarHBondContact O-N 2.86Å; F84-L86 VanDerWaalsContact C-N 3.33Å; F84-L86 PolarHBondContact O-N 3.37Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.06Å; L86-L89 PolarHBondContact O-N 3.16Å; L86-Q90 HydrophobicContact CD1-CG 4.05Å; L86-Q90 VanDerWaalsContact CD1-NE2 3.26Å; L86-Q90 HydrophobicContact CG-CG 4.39Å; L86-Q90 WeakPolarHBondContact O-CB 3.29Å; L86-Q90 WeakPolarHBondContact O-CG 3.5Å; L86-Q90 PolarHBondContact O-N 2.89Å; L86-V126 HydrophobicContact CB-CG1 4.21Å; L86-V126 HydrophobicContact CD1-CG1 3.89Å; L86-E130 HydrophobicContact CD1-CG 3.83Å |
| 87 | G | 95.4 | Very high | 93.6 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57 | -45.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D83 F84 L89 Q90 Q91 G92 | D83-G87 PolarHBondContact O-N 3.04Å; F84-G87 PolarHBondContact O-N 3.2Å; G87-L89 PolarHBondContact O-N 3.01Å; G87-Q90 PolarHBondContact O-N 3Å; G87-Q91 WeakPolarHBondContact O-CA 3.44Å; G87-Q91 WeakPolarHBondContact O-CB 3.49Å; G87-Q91 PolarHBondContact O-N 3.48Å; G87-G92 PolarHBondContact O-N 2.65Å |
| 88 | L | 95.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 175.7 | -71 | 177.8 | 0 | 0 | 0 | 112.5 | L50 F84 V85 L86 G92 Y93 I103 Y106 I107 | L50-L88 HydrophobicContact CD1-CD2 4.34Å; F84-L88 HydrophobicContact CD1-CD1 4.1Å; F84-L88 HydrophobicContact CE1-CD1 3.64Å; F84-L88 HydrophobicContact CE1-CG 4.22Å; F84-L88 HydrophobicContact CE2-CD2 4.46Å; F84-L88 HydrophobicContact CE2-CG 4.44Å; F84-L88 HydrophobicContact CZ-CD1 3.97Å; F84-L88 HydrophobicContact CZ-CD2 4.14Å; F84-L88 HydrophobicContact CZ-CG 4.14Å; F84-L88 WeakPolarHBondContact O-CG 3.37Å; F84-L88 PolarHBondContact O-N 2.93Å; V85-L88 PolarHBondContact O-N 3.32Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.06Å; L88-G92 WeakPolarHBondContact O-CA 3.17Å; L88-G92 PolarHBondContact O-N 2.9Å; L88-Y93 HydrophobicContact CD2-CD2 3.62Å; L88-Y93 HydrophobicContact CD2-CG 4.07Å; L88-I103 HydrophobicContact CB-CG2 3.91Å; L88-Y106 HydrophobicContact CD1-CD1 3.92Å; L88-Y106 HydrophobicContact CD1-CE1 3.94Å; L88-I107 HydrophobicContact CB-CD1 4.37Å; L88-I107 HydrophobicContact CD1-CG1 4.19Å |
| 89 | L | 94.6 | Very high | 93 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -75.7 | -22.1 | -176 | -68.8 | 173.5 | 0 | 0 | 0 | 114 | V85 L86 G87 H98 I104 I107 E130 R133 M134 | V85-L89 HydrophobicContact CG1-CD1 3.99Å; V85-L89 WeakPolarHBondContact O-CG 3.3Å; V85-L89 PolarHBondContact O-N 3.49Å; L86-L89 PolarHBondContact O-N 3.16Å; G87-L89 PolarHBondContact O-N 3.01Å; L89-H98 WeakPolarHBondContact O-CB 3.43Å; L89-I104 HydrophobicContact CD2-CD1 3.58Å; L89-I107 HydrophobicContact CD1-CD1 4.23Å; L89-I107 HydrophobicContact CD2-CD1 3.51Å; L89-I107 HydrophobicContact CG-CD1 3.69Å; L89-E130 HydrophobicContact CB-CB 4.48Å; L89-E130 HydrophobicContact CB-CG 4.36Å; L89-E130 HydrophobicContact CD1-CB 3.72Å; L89-E130 HydrophobicContact CD1-CG 3.99Å; L89-R133 PolarHBondContact O-NH2 3.46Å; L89-M134 HydrophobicContact CD2-SD 4.11Å |
| 90 | Q | 93.8 | Very high | 92.8 | Very high | 90 Ų | 90 | 63 Ų | 63 | 42% | 0.421 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -105.2 | -38.5 | -178.2 | -66.5 | -174.4 | -10.9 | 0 | 0 | 113.6 | L86 G87 E130 | L86-Q90 HydrophobicContact CD1-CG 4.05Å; L86-Q90 VanDerWaalsContact CD1-NE2 3.26Å; L86-Q90 HydrophobicContact CG-CG 4.39Å; L86-Q90 WeakPolarHBondContact O-CB 3.29Å; L86-Q90 WeakPolarHBondContact O-CG 3.5Å; L86-Q90 PolarHBondContact O-N 2.89Å; G87-Q90 PolarHBondContact O-N 3Å; Q90-E130 PolarHBondContact NE2-OE1 2.92Å |
| 91 | Q | 93.2 | Very high | 92.6 | Very high | 162 Ų | 162 | 64.3 Ų | 64.3 | 76% | 0.757 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -108.4 | -17.9 | -173.3 | -56.8 | 175.7 | 13.9 | 0 | 0 | 112.8 | G87 | G87-Q91 WeakPolarHBondContact O-CA 3.44Å; G87-Q91 WeakPolarHBondContact O-CB 3.49Å; G87-Q91 PolarHBondContact O-N 3.48Å |
| 92 | G | 93.3 | Very high | 92.6 | Very high | 11 Ų | 11 | 63.3 Ų | 63.3 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | trans | 83.5 | -157.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G87 L88 L96 | G87-G92 PolarHBondContact O-N 2.65Å; L88-G92 WeakPolarHBondContact O-CA 3.17Å; L88-G92 PolarHBondContact O-N 2.9Å; G92-L96 WeakPolarHBondContact CA-O 3.48Å | ||
| 93 | Y | 94.9 | Very high | 92.7 | Very high | 44 Ų | 44 | 59.4 Ų | 59.4 | 17% | 0.173 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -145.8 | 113.5 | 179.4 | -171.9 | -89.6 | 0 | 0 | 0 | 112 | T46 L50 L51 F84 L88 Q95 L96 | T46-Y93 HydrophobicContact CG2-CE1 4.46Å; T46-Y93 HydrophobicContact CG2-CE2 3.84Å; L50-Y93 HydrophobicContact CB-CD1 3.94Å; L50-Y93 HydrophobicContact CB-CE1 4.36Å; L50-Y93 HydrophobicContact CD1-CD1 3.54Å; L50-Y93 HydrophobicContact CD1-CD2 3.95Å; L50-Y93 HydrophobicContact CD1-CE1 4.08Å; L50-Y93 HydrophobicContact CD1-CE2 4.43Å; L50-Y93 HydrophobicContact CD1-CG 3.46Å; L50-Y93 VanDerWaalsContact CD1-CG 3.46Å; L50-Y93 HydrophobicContact CG-CD1 4.39Å; L51-Y93 HydrophobicContact CD1-CD1 4.05Å; L51-Y93 HydrophobicContact CD1-CE1 3.95Å; L51-Y93 HydrophobicContact CG-CD1 4.13Å; L51-Y93 HydrophobicContact CG-CE1 4.26Å; F84-Y93 HydrophobicContact CE2-CE2 4.49Å; F84-Y93 HydrophobicContact CZ-CE2 4.41Å; L88-Y93 HydrophobicContact CD2-CD2 3.62Å; L88-Y93 HydrophobicContact CD2-CG 4.07Å; Y93-Q95 PolarHBondContact O-N 3.18Å; Y93-L96 PolarHBondContact N-O 3.35Å; Y93-L96 WeakPolarHBondContact O-CB 3.47Å; Y93-L96 PolarHBondContact O-N 2.79Å |
| 94 | G | 91.6 | Very high | 92.8 | Very high | 75 Ų | 75 | 54.3 Ų | 54.3 | 77% | 0.773 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -109.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 95 | Q | 89.6 | Confident | 92.7 | Very high | 186 Ų | 186 | 54.2 Ų | 54.2 | 87% | 0.869 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -10.6 | 176.3 | -64.3 | 178.5 | 5.9 | 0 | 0 | 113.4 | L51 Y93 | L51-Q95 HydrophobicContact CD2-CB 4.45Å; Y93-Q95 PolarHBondContact O-N 3.18Å |
| 96 | L | 91.4 | Very high | 92.8 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -80.9 | 129.8 | 178.8 | -58.3 | -177.1 | 0 | 0 | 0 | 110.4 | L50 L51 G92 Y93 D100 A102 I103 | L50-L96 HydrophobicContact CB-CD1 3.85Å; L50-L96 HydrophobicContact CD2-CD1 4.2Å; L51-L96 HydrophobicContact CD2-CD1 4.29Å; L51-L96 HydrophobicContact CD2-CD2 4.23Å; L51-L96 HydrophobicContact CD2-CG 3.73Å; G92-L96 WeakPolarHBondContact CA-O 3.48Å; Y93-L96 PolarHBondContact N-O 3.35Å; Y93-L96 WeakPolarHBondContact O-CB 3.47Å; Y93-L96 PolarHBondContact O-N 2.79Å; L96-D100 HydrophobicContact CB-CB 4.19Å; L96-A102 HydrophobicContact CD1-CB 4.37Å; L96-I103 HydrophobicContact CB-CD1 4.33Å; L96-I103 HydrophobicContact CD1-CG1 4.4Å |
| 97 | E | 90.6 | Very high | 92.8 | Very high | 138 Ų | 138 | 52.1 Ų | 52.1 | 65% | 0.645 | 28% | 0.278 | S | S | * | . | trans | -70.1 | 157.4 | 170.3 | -61.5 | -173.4 | 174.9 | 0 | 0 | 111.2 | R99 D100 I103 | E97-R99 PolarHBondContact O-N 3.19Å; E97-D100 WeakPolarHBondContact O-CB 3Å; E97-D100 PolarHBondContact O-N 3.28Å; E97-I103 VanDerWaalsContact O-CD1 3.24Å; E97-I103 WeakPolarHBondContact O-CD1 3.49Å | ||
| 98 | H | 86.9 | Confident | 92.8 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -14.1 | 178.1 | 68.8 | -83.4 | 0 | 0 | 0 | 114.6 | L89 E137 | L89-H98 WeakPolarHBondContact O-CB 3.43Å; H98-E137 IonicContact NE2-OE2 3.23Å |
| 99 | R | 86.6 | Confident | 92.8 | Very high | 114 Ų | 114 | 52.9 Ų | 52.9 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -0.3 | 178.2 | -59.2 | -174 | 171.7 | -161.6 | -7 | 113.5 | E97 A101 E137 L143 | E97-R99 PolarHBondContact O-N 3.19Å; R99-A101 PolarHBondContact O-N 3.43Å; R99-E137 IonicContact CZ-OE2 2.85Å; R99-E137 IonicContact NE-OE2 3.21Å; R99-E137 IonicContact NH2-OE2 3.59Å; R99-E137 PolarHBondContact NH2-OE2 3.12Å; R99-L143 HydrophobicContact CB-CD2 4.25Å; R99-L143 WeakPolarHBondContact O-CD2 3.26Å |
| 100 | D | 91.4 | Very high | 92.8 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | trans | -69.3 | 131.2 | -178.6 | -162.3 | -62.8 | 0 | 0 | 0 | 111.2 | L96 E97 A102 I103 | L96-D100 HydrophobicContact CB-CB 4.19Å; E97-D100 WeakPolarHBondContact O-CB 3Å; E97-D100 PolarHBondContact O-N 3.28Å; D100-A102 PolarHBondContact O-N 3.19Å; D100-A102 VanDerWaalsContact OD1-CB 3.22Å; D100-A102 WeakPolarHBondContact OD1-CB 3.36Å; D100-A102 PolarHBondContact OD1-N 2.94Å; D100-I103 HydrophobicContact CB-CD1 4.47Å; D100-I103 HydrophobicContact CB-CG1 4.44Å; D100-I103 WeakPolarHBondContact O-CB 3.33Å; D100-I103 PolarHBondContact O-N 3.39Å; D100-I103 VanDerWaalsContact O-N 3.14Å | ||
| 101 | A | 91.3 | Very high | 92.8 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -27.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R99 I103 I104 D105 L143 R146 | R99-A101 PolarHBondContact O-N 3.43Å; A101-I103 VanDerWaalsContact C-N 3.26Å; A101-I103 PolarHBondContact O-N 2.86Å; A101-I104 PolarHBondContact O-N 3.36Å; A101-D105 PolarHBondContact O-N 2.89Å; A101-L143 HydrophobicContact CB-CD1 4.42Å; A101-R146 HydrophobicContact CB-CG 3.99Å |
| 102 | A | 91.9 | Very high | 92.9 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.9 | -30.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L50 L96 D100 Y106 | L50-A102 HydrophobicContact CD2-CB 4.38Å; L96-A102 HydrophobicContact CD1-CB 4.37Å; D100-A102 PolarHBondContact O-N 3.19Å; D100-A102 VanDerWaalsContact OD1-CB 3.22Å; D100-A102 WeakPolarHBondContact OD1-CB 3.36Å; D100-A102 PolarHBondContact OD1-N 2.94Å; A102-Y106 WeakPolarHBondContact O-CB 3.22Å; A102-Y106 PolarHBondContact O-N 3.27Å |
| 103 | I | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66 | -43.4 | 176.3 | -64.5 | 179.2 | 0 | 0 | 0 | 110.1 | L50 L88 L96 E97 D100 A101 Y106 I107 | L50-I103 HydrophobicContact CD2-CG1 4.41Å; L88-I103 HydrophobicContact CB-CG2 3.91Å; L96-I103 HydrophobicContact CB-CD1 4.33Å; L96-I103 HydrophobicContact CD1-CG1 4.4Å; E97-I103 VanDerWaalsContact O-CD1 3.24Å; E97-I103 WeakPolarHBondContact O-CD1 3.49Å; D100-I103 HydrophobicContact CB-CD1 4.47Å; D100-I103 HydrophobicContact CB-CG1 4.44Å; D100-I103 WeakPolarHBondContact O-CB 3.33Å; D100-I103 PolarHBondContact O-N 3.39Å; D100-I103 VanDerWaalsContact O-N 3.14Å; A101-I103 VanDerWaalsContact C-N 3.26Å; A101-I103 PolarHBondContact O-N 2.86Å; I103-Y106 PolarHBondContact O-N 2.96Å; I103-I107 HydrophobicContact CG2-CD1 3.88Å; I103-I107 WeakPolarHBondContact O-CG1 3.33Å; I103-I107 PolarHBondContact O-N 3.14Å |
| 104 | I | 95.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.5 | -42.2 | 178.3 | -57.5 | -54.6 | 0 | 0 | 0 | 111.2 | L89 A101 Y106 I107 H108 M134 L143 R146 L150 | L89-I104 HydrophobicContact CD2-CD1 3.58Å; A101-I104 PolarHBondContact O-N 3.36Å; I104-Y106 VanDerWaalsContact C-N 3.3Å; I104-Y106 PolarHBondContact O-N 3.2Å; I104-I107 PolarHBondContact O-N 2.8Å; I104-H108 VanDerWaalsContact O-CB 3.25Å; I104-H108 WeakPolarHBondContact O-CB 3.33Å; I104-H108 PolarHBondContact O-N 3.08Å; I104-M134 HydrophobicContact CD1-CE 3.75Å; I104-M134 HydrophobicContact CD1-SD 4.14Å; I104-M134 HydrophobicContact CG1-CE 4.18Å; I104-L143 HydrophobicContact CB-CD1 4.46Å; I104-L143 HydrophobicContact CG1-CD1 3.54Å; I104-R146 HydrophobicContact CB-CB 4.28Å; I104-R146 HydrophobicContact CG2-CB 3.98Å; I104-L150 HydrophobicContact CG2-CB 4.47Å; I104-L150 HydrophobicContact CG2-CD1 4.05Å |
| 105 | D | 94.4 | Very high | 92.4 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 174.4 | -77.5 | -19.8 | 0 | 0 | 0 | 111.2 | A101 H108 C109 R146 | A101-D105 PolarHBondContact O-N 2.89Å; D105-H108 PolarHBondContact O-N 3.34Å; D105-C109 PolarHBondContact O-N 3.42Å; D105-C109 PolarHBondContact O-SG 3.06Å; D105-R146 WeakPolarHBondContact OD1-CD 3.31Å; D105-R146 IonicContact OD1-CZ 3.37Å; D105-R146 IonicContact OD1-NE 3.13Å; D105-R146 IonicContact OD1-NH1 3.85Å; D105-R146 PolarHBondContact OD1-NH1 3.45Å; D105-R146 VanDerWaalsContact OD1-NH1 3.13Å; D105-R146 IonicContact OD2-CZ 3.25Å; D105-R146 IonicContact OD2-NE 3Å; D105-R146 IonicContact OD2-NH1 3.44Å; D105-R146 PolarHBondContact OD2-NH1 2.6Å |
| 106 | Y | 96 | Very high | 92.3 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -49.9 | 175.7 | 176.3 | -99.7 | 0 | 0 | 0 | 112.1 | T46 I49 L50 L65 F80 F84 L88 A102 I103 I104 H108 C109 C110 | T46-Y106 HydrophobicContact CG2-CE1 4.12Å; T46-Y106 HydrophobicContact CG2-CE2 4.08Å; T46-Y106 PolarHBondContact OG1-OH 3.07Å; I49-Y106 HydrophobicContact CB-CD2 4.27Å; I49-Y106 HydrophobicContact CD1-CD2 4.06Å; I49-Y106 HydrophobicContact CD1-CE2 3.91Å; I49-Y106 HydrophobicContact CG2-CD2 3.88Å; L50-Y106 HydrophobicContact CD2-CG 4.1Å; L50-Y106 HydrophobicContact CG-CG 4.39Å; L65-Y106 HydrophobicContact CD2-CE2 3.76Å; F80-Y106 HydrophobicContact CD2-CE1 4.33Å; F80-Y106 HydrophobicContact CE2-CD1 4.48Å; F80-Y106 AromaticContact CE2-CE1 3.9Å; F80-Y106 HydrophobicContact CE2-CE1 3.9Å; F84-Y106 HydrophobicContact CE1-CE1 4.11Å; L88-Y106 HydrophobicContact CD1-CD1 3.92Å; L88-Y106 HydrophobicContact CD1-CE1 3.94Å; A102-Y106 WeakPolarHBondContact O-CB 3.22Å; A102-Y106 PolarHBondContact O-N 3.27Å; I103-Y106 PolarHBondContact O-N 2.96Å; I104-Y106 VanDerWaalsContact C-N 3.3Å; I104-Y106 PolarHBondContact O-N 3.2Å; Y106-H108 VanDerWaalsContact C-N 3.27Å; Y106-H108 PolarHBondContact O-N 3.12Å; Y106-C109 PolarHBondContact O-N 3.18Å; Y106-C110 PolarHBondContact O-N 3.2Å; Y106-C110 PolarHBondContact O-SG 2.61Å; Y106-C110 VanDerWaalsContact O-SG 3.34Å |
| 107 | I | 95.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.2 | -43.1 | 176 | -68.3 | 167.6 | 0 | 0 | 0 | 110 | F80 V85 L88 L89 I103 I104 C109 C110 L111 I127 L150 | F80-I107 HydrophobicContact CZ-CB 4.44Å; F80-I107 HydrophobicContact CZ-CG1 4.34Å; F80-I107 HydrophobicContact CZ-CG2 4.26Å; V85-I107 HydrophobicContact CG1-CD1 4.25Å; L88-I107 HydrophobicContact CB-CD1 4.37Å; L88-I107 HydrophobicContact CD1-CG1 4.19Å; L89-I107 HydrophobicContact CD1-CD1 4.23Å; L89-I107 HydrophobicContact CD2-CD1 3.51Å; L89-I107 HydrophobicContact CG-CD1 3.69Å; I103-I107 HydrophobicContact CG2-CD1 3.88Å; I103-I107 WeakPolarHBondContact O-CG1 3.33Å; I103-I107 PolarHBondContact O-N 3.14Å; I104-I107 PolarHBondContact O-N 2.8Å; I107-C109 PolarHBondContact O-N 3.16Å; I107-C110 PolarHBondContact O-N 2.84Å; I107-L111 HydrophobicContact CG2-CD1 4.05Å; I107-L111 HydrophobicContact CG2-CG 4.24Å; I107-L111 WeakPolarHBondContact O-CB 3.33Å; I107-L111 VanDerWaalsContact O-CG 3.29Å; I107-L111 WeakPolarHBondContact O-CG 3.46Å; I107-L111 PolarHBondContact O-N 3.25Å; I107-I127 HydrophobicContact CG2-CD1 4.02Å; I107-L150 HydrophobicContact CG2-CD1 4.05Å |
| 108 | H | 95.9 | Very high | 91.9 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.3 | -45.8 | 177.3 | -174.2 | -162.2 | 0 | 0 | 0 | 112.2 | I104 D105 Y106 R112 L150 D153 F154 | I104-H108 VanDerWaalsContact O-CB 3.25Å; I104-H108 WeakPolarHBondContact O-CB 3.33Å; I104-H108 PolarHBondContact O-N 3.08Å; D105-H108 PolarHBondContact O-N 3.34Å; Y106-H108 VanDerWaalsContact C-N 3.27Å; Y106-H108 PolarHBondContact O-N 3.12Å; H108-R112 PolarHBondContact CE1-NH2 2.88Å; H108-R112 PolarHBondContact NE2-NH2 2.82Å; H108-R112 PolarHBondContact O-N 3.14Å; H108-L150 HydrophobicContact CB-CB 4.18Å; H108-L150 HydrophobicContact CB-CD1 3.98Å; H108-L150 HydrophobicContact CB-CG 4.11Å; H108-D153 IonicContact CE1-OD2 3.28Å; H108-D153 PolarHBondContact CE1-OD2 3.45Å; H108-D153 IonicContact NE2-OD2 3.68Å; H108-D153 PolarHBondContact NE2-OD2 2.96Å; H108-F154 AromaticContact CD2-CD2 3.95Å; H108-F154 AromaticContact CD2-CE2 3.61Å; H108-F154 AromaticContact NE2-CE2 3.92Å |
| 109 | C | 94.8 | Very high | 91.9 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 176.6 | -66.6 | 0 | 0 | 0 | 0 | 111.7 | L62 D105 Y106 I107 L111 R112 L113 | L62-C109 HydrophobicContact CD1-CB 4.18Å; D105-C109 PolarHBondContact O-N 3.42Å; D105-C109 PolarHBondContact O-SG 3.06Å; Y106-C109 PolarHBondContact O-N 3.18Å; I107-C109 PolarHBondContact O-N 3.16Å; C109-L111 PolarHBondContact O-N 3.43Å; C109-R112 WeakPolarHBondContact O-CB 3.4Å; C109-R112 PolarHBondContact O-N 3.27Å; C109-L113 PolarHBondContact O-N 3Å |
| 110 | C | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.3 | -37.3 | -179.9 | -69.2 | 0 | 0 | 0 | 0 | 112.9 | F76 F80 Y106 I107 R112 L113 L114 | F76-C110 HydrophobicContact CZ-CB 3.93Å; F80-C110 HydrophobicContact CD1-CB 3.93Å; F80-C110 HydrophobicContact CD2-CB 3.77Å; F80-C110 HydrophobicContact CE1-CB 3.6Å; F80-C110 HydrophobicContact CE2-CB 3.43Å; F80-C110 VanDerWaalsContact CE2-CB 3.43Å; F80-C110 HydrophobicContact CG-CB 4Å; F80-C110 HydrophobicContact CZ-CB 3.34Å; Y106-C110 PolarHBondContact O-N 3.2Å; Y106-C110 PolarHBondContact O-SG 2.61Å; Y106-C110 VanDerWaalsContact O-SG 3.34Å; I107-C110 PolarHBondContact O-N 2.84Å; C110-R112 VanDerWaalsContact C-N 3.3Å; C110-R112 PolarHBondContact O-N 2.99Å; C110-L113 WeakPolarHBondContact O-CB 3.47Å; C110-L113 PolarHBondContact O-N 3.13Å; C110-L113 VanDerWaalsContact O-N 3.08Å; C110-L114 PolarHBondContact O-N 3.44Å |
| 111 | L | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -36.6 | 174.5 | -74.2 | 174.2 | 0 | 0 | 0 | 112.6 | F80 I107 C109 L113 L114 I115 V120 T123 F124 I127 L150 F154 | F80-L111 HydrophobicContact CE1-CD2 4.43Å; I107-L111 HydrophobicContact CG2-CD1 4.05Å; I107-L111 HydrophobicContact CG2-CG 4.24Å; I107-L111 WeakPolarHBondContact O-CB 3.33Å; I107-L111 VanDerWaalsContact O-CG 3.29Å; I107-L111 WeakPolarHBondContact O-CG 3.46Å; I107-L111 PolarHBondContact O-N 3.25Å; C109-L111 PolarHBondContact O-N 3.43Å; L111-L113 PolarHBondContact O-N 2.91Å; L111-L114 PolarHBondContact O-N 3.37Å; L111-I115 PolarHBondContact O-N 3.31Å; L111-V120 HydrophobicContact CD2-CG2 4.21Å; L111-T123 HydrophobicContact CD2-CG2 3.9Å; L111-F124 HydrophobicContact CD2-CD1 4.36Å; L111-F124 HydrophobicContact CD2-CE1 4.06Å; L111-I127 HydrophobicContact CD1-CD1 3.68Å; L111-I127 HydrophobicContact CD2-CD1 4.06Å; L111-I127 HydrophobicContact CG-CD1 4.32Å; L111-L150 HydrophobicContact CD1-CD1 4.26Å; L111-L150 HydrophobicContact CD1-CD2 4.19Å; L111-L150 HydrophobicContact CD1-CG 4.27Å; L111-F154 HydrophobicContact CB-CD2 4.37Å; L111-F154 HydrophobicContact CB-CE1 4.12Å; L111-F154 HydrophobicContact CB-CE2 3.86Å; L111-F154 HydrophobicContact CB-CZ 3.71Å; L111-F154 HydrophobicContact CD1-CD2 4.28Å |
| 112 | R | 93.8 | Very high | 92.1 | Very high | 127 Ų | 127 | 38.4 Ų | 38.4 | 48% | 0.479 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.9 | -32.2 | 175.1 | -68.5 | -175.9 | -177.5 | 132.2 | -7.8 | 112.2 | H108 C109 C110 D153 F154 | H108-R112 PolarHBondContact CE1-NH2 2.88Å; H108-R112 PolarHBondContact NE2-NH2 2.82Å; H108-R112 PolarHBondContact O-N 3.14Å; C109-R112 WeakPolarHBondContact O-CB 3.4Å; C109-R112 PolarHBondContact O-N 3.27Å; C110-R112 VanDerWaalsContact C-N 3.3Å; C110-R112 PolarHBondContact O-N 2.99Å; R112-D153 IonicContact CZ-OD2 3.47Å; R112-D153 IonicContact NE-OD2 3.47Å; R112-D153 PolarHBondContact NE-OD2 3.48Å; R112-D153 IonicContact NH2-OD2 2.7Å; R112-D153 PolarHBondContact NH2-OD2 3Å; R112-F154 HydrophobicContact CB-CZ 4.38Å; R112-F154 HydrophobicContact CG-CE2 3.93Å; R112-F154 HydrophobicContact CG-CZ 3.7Å |
| 113 | L | 92.4 | Very high | 92.2 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -77.1 | -33.2 | 176.9 | -60.4 | 170.3 | 0 | 0 | 0 | 111.7 | E66 A69 F76 C109 C110 L111 | E66-L113 HydrophobicContact CG-CD1 4.3Å; E66-L113 HydrophobicContact CG-CD2 4.28Å; A69-L113 HydrophobicContact CB-CB 4.34Å; A69-L113 HydrophobicContact CB-CD1 3.85Å; A69-L113 HydrophobicContact CB-CG 4.48Å; F76-L113 HydrophobicContact CD1-CB 4.45Å; F76-L113 HydrophobicContact CE1-CB 3.81Å; F76-L113 HydrophobicContact CZ-CB 4.37Å; F76-L113 HydrophobicContact CZ-CD1 4.28Å; C109-L113 PolarHBondContact O-N 3Å; C110-L113 WeakPolarHBondContact O-CB 3.47Å; C110-L113 PolarHBondContact O-N 3.13Å; C110-L113 VanDerWaalsContact O-N 3.08Å; L111-L113 PolarHBondContact O-N 2.91Å |
| 114 | L | 90.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -86.5 | -11.4 | -177.8 | -156.3 | 82.3 | 0 | 0 | 0 | 114.3 | F76 E77 F80 C110 L111 S116 C117 V120 | F76-L114 HydrophobicContact CD1-CD1 4.16Å; F76-L114 HydrophobicContact CE1-CD1 4.28Å; E77-L114 HydrophobicContact CB-CD1 4.02Å; F80-L114 HydrophobicContact CD1-CD2 4.29Å; C110-L114 PolarHBondContact O-N 3.44Å; L111-L114 PolarHBondContact O-N 3.37Å; L114-S116 PolarHBondContact O-N 3.04Å; L114-C117 HydrophobicContact CD1-CB 4.32Å; L114-C117 HydrophobicContact CG-CB 4.21Å; L114-C117 WeakPolarHBondContact O-CB 3.24Å; L114-C117 PolarHBondContact O-N 3.23Å; L114-V120 HydrophobicContact CB-CG2 4.44Å; L114-V120 HydrophobicContact CD2-CB 3.89Å; L114-V120 HydrophobicContact CD2-CG2 4.04Å; L114-V120 HydrophobicContact CG-CB 4.26Å; L114-V120 HydrophobicContact CG-CG2 4.48Å |
| 115 | I | 87.4 | Confident | 92 | Very high | 97 Ų | 97 | 40.5 Ų | 40.5 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.8 | -168.2 | -158 | 174.5 | 0 | 0 | 0 | 115 | L111 F154 | L111-I115 PolarHBondContact O-N 3.31Å; I115-F154 HydrophobicContact CB-CE1 4.42Å; I115-F154 HydrophobicContact CD1-CD1 4.34Å; I115-F154 HydrophobicContact CD1-CE1 3.62Å; I115-F154 HydrophobicContact CD1-CZ 4.47Å; I115-F154 HydrophobicContact CG1-CE1 4.03Å |
| 116 | S | 86.8 | Confident | 92 | Very high | 68 Ų | 68 | 39.5 Ų | 39.5 | 48% | 0.476 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -5.7 | 177.4 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | R73 L114 | R73-S116 PolarHBondContact NE-OG 3Å; R73-S116 PolarHBondContact NH2-OG 3.27Å; L114-S116 PolarHBondContact O-N 3.04Å |
| 117 | C | 88.2 | Confident | 92 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 8% | 0.081 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -100.3 | 143.4 | -174.5 | -56 | 0 | 0 | 0 | 0 | 111.4 | L114 S119 V120 | L114-C117 HydrophobicContact CD1-CB 4.32Å; L114-C117 HydrophobicContact CG-CB 4.21Å; L114-C117 WeakPolarHBondContact O-CB 3.24Å; L114-C117 PolarHBondContact O-N 3.23Å; C117-S119 VanDerWaalsContact C-N 3.34Å; C117-S119 PolarHBondContact O-N 3.37Å; C117-V120 WeakPolarHBondContact O-CB 2.83Å; C117-V120 WeakPolarHBondContact O-CG1 3.46Å; C117-V120 PolarHBondContact O-N 3.14Å |
| 118 | P | 86.4 | Confident | 92 | Very high | 102 Ų | 102 | 42 Ų | 42 | 66% | 0.662 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -34.5 | -178.7 | -22.8 | 33.7 | 0 | 0 | 0 | 114.6 | V120 L121 | P118-V120 PolarHBondContact O-N 3.06Å; P118-V120 VanDerWaalsContact O-N 3.08Å; P118-L121 PolarHBondContact O-N 3.26Å; P118-L121 VanDerWaalsContact O-N 3.16Å |
| 119 | S | 86.2 | Confident | 91.9 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -18.5 | 178.1 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | E77 C117 L121 E122 T123 | E77-S119 VanDerWaalsContact CD-OG 3.25Å; E77-S119 VanDerWaalsContact CG-OG 3.25Å; E77-S119 WeakPolarHBondContact CG-OG 3.28Å; E77-S119 WeakPolarHBondContact OE1-CB 3.48Å; E77-S119 PolarHBondContact OE1-N 2.88Å; E77-S119 PolarHBondContact OE1-OG 3.35Å; C117-S119 VanDerWaalsContact C-N 3.34Å; C117-S119 PolarHBondContact O-N 3.37Å; S119-L121 PolarHBondContact O-N 2.73Å; S119-E122 PolarHBondContact O-N 2.84Å; S119-E122 VanDerWaalsContact O-N 3.14Å; S119-T123 PolarHBondContact O-N 3.05Å; S119-T123 VanDerWaalsContact O-N 3.12Å; S119-T123 PolarHBondContact O-OG1 3.4Å |
| 120 | V | 91.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59 | -29.4 | 176.7 | 80.1 | 0 | 0 | 0 | 0 | 111.5 | L111 L114 C117 P118 T123 F124 | L111-V120 HydrophobicContact CD2-CG2 4.21Å; L114-V120 HydrophobicContact CB-CG2 4.44Å; L114-V120 HydrophobicContact CD2-CB 3.89Å; L114-V120 HydrophobicContact CD2-CG2 4.04Å; L114-V120 HydrophobicContact CG-CB 4.26Å; L114-V120 HydrophobicContact CG-CG2 4.48Å; C117-V120 WeakPolarHBondContact O-CB 2.83Å; C117-V120 WeakPolarHBondContact O-CG1 3.46Å; C117-V120 PolarHBondContact O-N 3.14Å; P118-V120 PolarHBondContact O-N 3.06Å; P118-V120 VanDerWaalsContact O-N 3.08Å; V120-T123 WeakPolarHBondContact O-CB 3.3Å; V120-T123 PolarHBondContact O-N 3.4Å; V120-F124 HydrophobicContact CB-CE2 4.44Å; V120-F124 HydrophobicContact CB-CZ 4.47Å; V120-F124 HydrophobicContact CG1-CD2 4.45Å; V120-F124 HydrophobicContact CG1-CE2 3.9Å; V120-F124 HydrophobicContact CG1-CZ 4.28Å; V120-F124 HydrophobicContact CG2-CD1 4.18Å; V120-F124 HydrophobicContact CG2-CD2 4.38Å; V120-F124 HydrophobicContact CG2-CE1 3.62Å; V120-F124 HydrophobicContact CG2-CE2 3.82Å; V120-F124 HydrophobicContact CG2-CZ 3.42Å; V120-F124 VanDerWaalsContact CG2-CZ 3.42Å; V120-F124 WeakPolarHBondContact O-CD2 3.46Å; V120-F124 WeakPolarHBondContact O-CG 3.35Å; V120-F124 PolarHBondContact O-N 2.99Å |
| 121 | L | 91.3 | Very high | 91.9 | Very high | 119 Ų | 119 | 45.6 Ų | 45.6 | 62% | 0.623 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66.3 | -41.4 | 178.2 | -61.1 | -180 | 0 | 0 | 0 | 112.1 | P118 S119 T123 F124 S125 | P118-L121 PolarHBondContact O-N 3.26Å; P118-L121 VanDerWaalsContact O-N 3.16Å; S119-L121 PolarHBondContact O-N 2.73Å; L121-T123 VanDerWaalsContact C-N 3.32Å; L121-F124 HydrophobicContact CD2-CD2 4.23Å; L121-F124 PolarHBondContact O-N 2.93Å; L121-S125 PolarHBondContact O-N 2.87Å; L121-S125 VanDerWaalsContact O-N 3.15Å |
| 122 | E | 91.3 | Very high | 92 | Very high | 101 Ų | 101 | 47.1 Ų | 47.1 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 173.4 | -65.7 | -167.1 | -166.1 | 0 | 0 | 110.5 | K82 S119 F124 S125 V126 | K82-E122 WeakPolarHBondContact CD-OE2 3.26Å; K82-E122 IonicContact NZ-OE2 3.02Å; K82-E122 PolarHBondContact NZ-OE2 2.95Å; S119-E122 PolarHBondContact O-N 2.84Å; S119-E122 VanDerWaalsContact O-N 3.14Å; E122-F124 PolarHBondContact O-N 2.68Å; E122-S125 PolarHBondContact O-N 3.31Å; E122-S125 VanDerWaalsContact O-N 3.16Å; E122-S125 PolarHBondContact O-OG 3.4Å; E122-V126 PolarHBondContact O-N 2.91Å; E122-V126 VanDerWaalsContact O-N 3.12Å |
| 123 | T | 92.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 177.7 | -52 | 0 | 0 | 0 | 0 | 111.5 | F80 V85 L111 S119 V120 L121 S125 V126 I127 | F80-T123 HydrophobicContact CE1-CG2 4.43Å; V85-T123 HydrophobicContact CB-CG2 4.45Å; V85-T123 HydrophobicContact CG1-CG2 4.34Å; V85-T123 HydrophobicContact CG2-CG2 3.96Å; L111-T123 HydrophobicContact CD2-CG2 3.9Å; S119-T123 PolarHBondContact O-N 3.05Å; S119-T123 VanDerWaalsContact O-N 3.12Å; S119-T123 PolarHBondContact O-OG1 3.4Å; V120-T123 WeakPolarHBondContact O-CB 3.3Å; V120-T123 PolarHBondContact O-N 3.4Å; L121-T123 VanDerWaalsContact C-N 3.32Å; T123-S125 VanDerWaalsContact C-N 3.3Å; T123-S125 PolarHBondContact O-N 3.24Å; T123-V126 PolarHBondContact O-N 3.45Å; T123-I127 HydrophobicContact CG2-CD1 4Å; T123-I127 VanDerWaalsContact O-CG1 3.3Å; T123-I127 WeakPolarHBondContact O-CG1 3.43Å; T123-I127 PolarHBondContact O-N 3.34Å |
| 124 | F | 94.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.3 | -41 | 173.9 | -67.1 | -27.8 | 0 | 0 | 0 | 112 | L111 V120 L121 E122 V126 I127 Q128 F154 Q156 C157 | L111-F124 HydrophobicContact CD2-CD1 4.36Å; L111-F124 HydrophobicContact CD2-CE1 4.06Å; V120-F124 HydrophobicContact CB-CE2 4.44Å; V120-F124 HydrophobicContact CB-CZ 4.47Å; V120-F124 HydrophobicContact CG1-CD2 4.45Å; V120-F124 HydrophobicContact CG1-CE2 3.9Å; V120-F124 HydrophobicContact CG1-CZ 4.28Å; V120-F124 HydrophobicContact CG2-CD1 4.18Å; V120-F124 HydrophobicContact CG2-CD2 4.38Å; V120-F124 HydrophobicContact CG2-CE1 3.62Å; V120-F124 HydrophobicContact CG2-CE2 3.82Å; V120-F124 HydrophobicContact CG2-CZ 3.42Å; V120-F124 VanDerWaalsContact CG2-CZ 3.42Å; V120-F124 WeakPolarHBondContact O-CD2 3.46Å; V120-F124 WeakPolarHBondContact O-CG 3.35Å; V120-F124 PolarHBondContact O-N 2.99Å; L121-F124 HydrophobicContact CD2-CD2 4.23Å; L121-F124 PolarHBondContact O-N 2.93Å; E122-F124 PolarHBondContact O-N 2.68Å; F124-V126 VanDerWaalsContact C-N 3.34Å; F124-V126 PolarHBondContact O-N 2.94Å; F124-I127 PolarHBondContact O-N 3.41Å; F124-Q128 VanDerWaalsContact O-CG 3.3Å; F124-Q128 WeakPolarHBondContact O-CG 3.49Å; F124-Q128 PolarHBondContact O-N 3.17Å; F124-F154 HydrophobicContact CE1-CB 4.38Å; F124-F154 AromaticContact CE1-CD1 3.85Å; F124-F154 HydrophobicContact CE1-CD1 3.85Å; F124-F154 HydrophobicContact CE1-CG 4.38Å; F124-F154 AromaticContact CZ-CD1 3.87Å; F124-F154 HydrophobicContact CZ-CD1 3.87Å; F124-F154 HydrophobicContact CZ-CE1 4.46Å; F124-Q156 HydrophobicContact CD2-CB 3.73Å; F124-Q156 HydrophobicContact CD2-CG 4.35Å; F124-Q156 HydrophobicContact CE2-CB 3.95Å; F124-Q156 HydrophobicContact CE2-CG 4.19Å; F124-Q156 HydrophobicContact CG-CB 4.11Å; F124-Q156 HydrophobicContact CZ-CB 4.48Å; F124-C157 WeakPolarHBondContact CD1-SG 3.36Å |
| 125 | S | 92.6 | Very high | 92.4 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.9 | -38.3 | 178.3 | 75.7 | 0 | 0 | 0 | 0 | 112.7 | L121 E122 T123 | L121-S125 PolarHBondContact O-N 2.87Å; L121-S125 VanDerWaalsContact O-N 3.15Å; E122-S125 PolarHBondContact O-N 3.31Å; E122-S125 VanDerWaalsContact O-N 3.16Å; E122-S125 PolarHBondContact O-OG 3.4Å; T123-S125 VanDerWaalsContact C-N 3.3Å; T123-S125 PolarHBondContact O-N 3.24Å |
| 126 | V | 94.6 | Very high | 92.8 | Very high | 26 Ų | 26 | 41.1 Ų | 41.1 | 16% | 0.158 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 174.2 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | K82 L86 E122 T123 F124 Q128 V129 E130 | K82-V126 HydrophobicContact CB-CG2 4.05Å; L86-V126 HydrophobicContact CB-CG1 4.21Å; L86-V126 HydrophobicContact CD1-CG1 3.89Å; E122-V126 PolarHBondContact O-N 2.91Å; E122-V126 VanDerWaalsContact O-N 3.12Å; T123-V126 PolarHBondContact O-N 3.45Å; F124-V126 VanDerWaalsContact C-N 3.34Å; F124-V126 PolarHBondContact O-N 2.94Å; V126-Q128 VanDerWaalsContact C-N 3.32Å; V126-Q128 PolarHBondContact O-N 3.13Å; V126-V129 PolarHBondContact O-N 2.9Å; V126-E130 HydrophobicContact CG1-CG 4.3Å; V126-E130 WeakPolarHBondContact O-CG 3.3Å; V126-E130 PolarHBondContact O-N 3.4Å |
| 127 | I | 95.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 179.4 | -66.1 | 173.6 | 0 | 0 | 0 | 110.5 | V85 I107 L111 T123 F124 V129 E130 V131 C157 | V85-I127 HydrophobicContact CG1-CD1 4.46Å; V85-I127 HydrophobicContact CG1-CG1 4.17Å; I107-I127 HydrophobicContact CG2-CD1 4.02Å; L111-I127 HydrophobicContact CD1-CD1 3.68Å; L111-I127 HydrophobicContact CD2-CD1 4.06Å; L111-I127 HydrophobicContact CG-CD1 4.32Å; T123-I127 HydrophobicContact CG2-CD1 4Å; T123-I127 VanDerWaalsContact O-CG1 3.3Å; T123-I127 WeakPolarHBondContact O-CG1 3.43Å; T123-I127 PolarHBondContact O-N 3.34Å; F124-I127 PolarHBondContact O-N 3.41Å; I127-V129 VanDerWaalsContact C-N 3.29Å; I127-V129 PolarHBondContact O-N 3.03Å; I127-E130 PolarHBondContact O-N 3.09Å; I127-V131 HydrophobicContact CG2-CG1 3.54Å; I127-V131 VanDerWaalsContact O-CG1 3.25Å; I127-V131 WeakPolarHBondContact O-CG1 3.49Å; I127-V131 VanDerWaalsContact O-CG2 3.29Å; I127-V131 WeakPolarHBondContact O-CG2 3.3Å; I127-V131 PolarHBondContact O-N 2.97Å; I127-C157 HydrophobicContact CB-CB 4.43Å; I127-C157 HydrophobicContact CG2-CB 3.7Å |
| 128 | Q | 95.1 | Very high | 93.4 | Very high | 55 Ų | 55 | 44 Ų | 44 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -53 | -45.1 | 176.2 | -75.8 | 170.5 | 5.9 | 0 | 0 | 112.6 | F124 V126 V131 L132 Q156 C157 P159 | F124-Q128 VanDerWaalsContact O-CG 3.3Å; F124-Q128 WeakPolarHBondContact O-CG 3.49Å; F124-Q128 PolarHBondContact O-N 3.17Å; V126-Q128 VanDerWaalsContact C-N 3.32Å; V126-Q128 PolarHBondContact O-N 3.13Å; Q128-V131 WeakPolarHBondContact O-CG2 3.43Å; Q128-L132 PolarHBondContact O-N 3.24Å; Q128-Q156 PolarHBondContact NE2-O 3.12Å; Q128-C157 WeakPolarHBondContact CA-O 3.33Å; Q128-C157 WeakPolarHBondContact CG-O 3.43Å; Q128-P159 WeakPolarHBondContact O-CG 3.34Å |
| 129 | V | 94.3 | Very high | 93.7 | Very high | 97 Ų | 97 | 39.6 Ų | 39.6 | 59% | 0.588 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -70 | -45.7 | 179.5 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | V126 I127 L132 R133 | V126-V129 PolarHBondContact O-N 2.9Å; I127-V129 VanDerWaalsContact C-N 3.29Å; I127-V129 PolarHBondContact O-N 3.03Å; V129-L132 PolarHBondContact O-N 3.31Å; V129-R133 PolarHBondContact O-N 3.2Å; V129-R133 VanDerWaalsContact O-N 3.1Å |
| 130 | E | 95.1 | Very high | 94.1 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.4 | -37.6 | -176 | -70.2 | -59.1 | 132.5 | 0 | 0 | 112.7 | L86 L89 Q90 V126 I127 L132 R133 M134 | L86-E130 HydrophobicContact CD1-CG 3.83Å; L89-E130 HydrophobicContact CB-CB 4.48Å; L89-E130 HydrophobicContact CB-CG 4.36Å; L89-E130 HydrophobicContact CD1-CB 3.72Å; L89-E130 HydrophobicContact CD1-CG 3.99Å; Q90-E130 PolarHBondContact NE2-OE1 2.92Å; V126-E130 HydrophobicContact CG1-CG 4.3Å; V126-E130 WeakPolarHBondContact O-CG 3.3Å; V126-E130 PolarHBondContact O-N 3.4Å; I127-E130 PolarHBondContact O-N 3.09Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.37Å; E130-R133 WeakPolarHBondContact O-CB 3.36Å; E130-R133 PolarHBondContact O-N 3.25Å; E130-R133 IonicContact OE2-CZ 2.79Å; E130-R133 IonicContact OE2-NE 2.7Å; E130-R133 PolarHBondContact OE2-NE 3.47Å; E130-R133 IonicContact OE2-NH2 3.67Å; E130-R133 PolarHBondContact OE2-NH2 3.31Å; E130-M134 WeakPolarHBondContact O-CB 3.16Å; E130-M134 VanDerWaalsContact O-CG 3.24Å; E130-M134 WeakPolarHBondContact O-CG 3.25Å; E130-M134 PolarHBondContact O-N 2.91Å |
| 131 | V | 95.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.7 | -32.6 | 177.4 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | I127 Q128 V135 L147 L151 P159 F167 | I127-V131 HydrophobicContact CG2-CG1 3.54Å; I127-V131 VanDerWaalsContact O-CG1 3.25Å; I127-V131 WeakPolarHBondContact O-CG1 3.49Å; I127-V131 VanDerWaalsContact O-CG2 3.29Å; I127-V131 WeakPolarHBondContact O-CG2 3.3Å; I127-V131 PolarHBondContact O-N 2.97Å; Q128-V131 WeakPolarHBondContact O-CG2 3.43Å; V131-V135 WeakPolarHBondContact O-CG1 3.33Å; V131-V135 WeakPolarHBondContact O-CG2 3.42Å; V131-V135 PolarHBondContact O-N 3.29Å; V131-L147 HydrophobicContact CB-CD1 4.08Å; V131-L147 HydrophobicContact CB-CD2 4.48Å; V131-L147 HydrophobicContact CG1-CD1 3.46Å; V131-L147 VanDerWaalsContact CG1-CD1 3.46Å; V131-L151 HydrophobicContact CG1-CD2 4.29Å; V131-L151 HydrophobicContact CG2-CD2 4.46Å; V131-P159 HydrophobicContact CG2-CG 4.18Å; V131-F167 HydrophobicContact CB-CE2 4.43Å; V131-F167 HydrophobicContact CG2-CE2 4.13Å |
| 132 | L | 95.5 | Very high | 94.3 | Very high | 32 Ų | 32 | 41.6 Ų | 41.6 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.5 | -44.6 | 171.9 | 178.9 | 59.8 | 0 | 0 | 0 | 111.5 | Q128 V129 E130 V135 C136 P159 L166 F167 | Q128-L132 PolarHBondContact O-N 3.24Å; V129-L132 PolarHBondContact O-N 3.31Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 3.37Å; L132-V135 HydrophobicContact CD1-CG2 4.24Å; L132-V135 VanDerWaalsContact O-CG2 3.24Å; L132-V135 WeakPolarHBondContact O-CG2 3.41Å; L132-V135 PolarHBondContact O-N 3.46Å; L132-C136 PolarHBondContact O-N 3.49Å; L132-C136 VanDerWaalsContact O-N 3.13Å; L132-C136 PolarHBondContact O-SG 3.06Å; L132-P159 HydrophobicContact CB-CG 4.12Å; L132-L166 HydrophobicContact CD1-CD2 4.45Å; L132-L166 HydrophobicContact CD1-CG 4.27Å; L132-L166 HydrophobicContact CD2-CD2 4.29Å; L132-F167 HydrophobicContact CD1-CB 4Å; L132-F167 HydrophobicContact CD1-CD2 4.3Å |
| 133 | R | 95.3 | Very high | 94.4 | Very high | 64 Ų | 64 | 37.4 Ų | 37.4 | 24% | 0.242 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 173.7 | -178.1 | -171.6 | 63.1 | 88.3 | -2.6 | 110.6 | L89 V129 E130 V135 C136 E137 | L89-R133 PolarHBondContact O-NH2 3.46Å; V129-R133 PolarHBondContact O-N 3.2Å; V129-R133 VanDerWaalsContact O-N 3.1Å; E130-R133 WeakPolarHBondContact O-CB 3.36Å; E130-R133 PolarHBondContact O-N 3.25Å; E130-R133 IonicContact OE2-CZ 2.79Å; E130-R133 IonicContact OE2-NE 2.7Å; E130-R133 PolarHBondContact OE2-NE 3.47Å; E130-R133 IonicContact OE2-NH2 3.67Å; E130-R133 PolarHBondContact OE2-NH2 3.31Å; R133-V135 PolarHBondContact O-N 3.46Å; R133-C136 WeakPolarHBondContact O-CB 3.49Å; R133-C136 PolarHBondContact O-N 3.45Å; R133-C136 VanDerWaalsContact O-N 3.08Å; R133-E137 WeakPolarHBondContact CG-OE1 3.44Å; R133-E137 IonicContact CZ-OE1 3.02Å; R133-E137 IonicContact NE-OE1 2.72Å; R133-E137 VanDerWaalsContact NH1-CD 3.34Å; R133-E137 IonicContact NH1-OE1 2.86Å; R133-E137 PolarHBondContact NH1-OE1 3.4Å; R133-E137 IonicContact NH1-OE2 2.67Å; R133-E137 PolarHBondContact NH1-OE2 2.63Å; R133-E137 PolarHBondContact O-N 2.96Å; R133-E137 VanDerWaalsContact O-N 3.15Å |
| 134 | M | 94.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.044 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.3 | -47.7 | 180 | -73.2 | 179.4 | 78 | 0 | 0 | 111.5 | L89 I104 E130 C136 E137 P139 L143 | L89-M134 HydrophobicContact CD2-SD 4.11Å; I104-M134 HydrophobicContact CD1-CE 3.75Å; I104-M134 HydrophobicContact CD1-SD 4.14Å; I104-M134 HydrophobicContact CG1-CE 4.18Å; E130-M134 WeakPolarHBondContact O-CB 3.16Å; E130-M134 VanDerWaalsContact O-CG 3.24Å; E130-M134 WeakPolarHBondContact O-CG 3.25Å; E130-M134 PolarHBondContact O-N 2.91Å; M134-C136 VanDerWaalsContact C-N 3.29Å; M134-C136 PolarHBondContact O-N 3.01Å; M134-E137 WeakPolarHBondContact O-CB 3.28Å; M134-E137 PolarHBondContact O-N 2.88Å; M134-E137 VanDerWaalsContact O-N 3.08Å; M134-P139 VanDerWaalsContact O-CD 3.24Å; M134-P139 WeakPolarHBondContact O-CD 3.33Å; M134-L143 HydrophobicContact CE-CD1 4.19Å; M134-L143 HydrophobicContact CE-CD2 3.98Å; M134-L143 HydrophobicContact CE-CG 4.24Å |
| 135 | V | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67 | -29 | 178.1 | -62.2 | 0 | 0 | 0 | 0 | 112.9 | V131 L132 R133 E137 R138 L147 F167 Q170 L171 T174 | V131-V135 WeakPolarHBondContact O-CG1 3.33Å; V131-V135 WeakPolarHBondContact O-CG2 3.42Å; V131-V135 PolarHBondContact O-N 3.29Å; L132-V135 HydrophobicContact CD1-CG2 4.24Å; L132-V135 VanDerWaalsContact O-CG2 3.24Å; L132-V135 WeakPolarHBondContact O-CG2 3.41Å; L132-V135 PolarHBondContact O-N 3.46Å; R133-V135 PolarHBondContact O-N 3.46Å; V135-E137 PolarHBondContact O-N 3.25Å; V135-R138 PolarHBondContact O-N 3.16Å; V135-R138 PolarHBondContact O-NH1 2.78Å; V135-L147 HydrophobicContact CG1-CD2 4.07Å; V135-F167 HydrophobicContact CB-CE2 4.4Å; V135-F167 HydrophobicContact CG1-CD2 4.36Å; V135-F167 HydrophobicContact CG1-CE2 3.64Å; V135-F167 HydrophobicContact CG1-CZ 4.19Å; V135-F167 HydrophobicContact CG2-CD2 3.71Å; V135-F167 HydrophobicContact CG2-CE2 3.85Å; V135-Q170 HydrophobicContact CG2-CB 3.86Å; V135-L171 HydrophobicContact CG1-CD1 3.99Å; V135-T174 PolarHBondContact O-OG1 3.49Å |
| 136 | C | 94.9 | Very high | 94.8 | Very high | 54 Ų | 54 | 39 Ų | 39 | 37% | 0.365 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.9 | -28.2 | 172.5 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | L132 R133 M134 R138 | L132-C136 PolarHBondContact O-N 3.49Å; L132-C136 VanDerWaalsContact O-N 3.13Å; L132-C136 PolarHBondContact O-SG 3.06Å; R133-C136 WeakPolarHBondContact O-CB 3.49Å; R133-C136 PolarHBondContact O-N 3.45Å; R133-C136 VanDerWaalsContact O-N 3.08Å; M134-C136 VanDerWaalsContact C-N 3.29Å; M134-C136 PolarHBondContact O-N 3.01Å; C136-R138 VanDerWaalsContact C-N 3.25Å; C136-R138 PolarHBondContact O-N 3.28Å |
| 137 | E | 93.9 | Very high | 94.9 | Very high | 60 Ų | 60 | 37.9 Ų | 37.9 | 28% | 0.28 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 1 | -179.3 | -74.4 | 179.5 | -159.6 | 0 | 0 | 115 | H98 R99 R133 M134 V135 | H98-E137 IonicContact NE2-OE2 3.23Å; R99-E137 IonicContact CZ-OE2 2.85Å; R99-E137 IonicContact NE-OE2 3.21Å; R99-E137 IonicContact NH2-OE2 3.59Å; R99-E137 PolarHBondContact NH2-OE2 3.12Å; R133-E137 WeakPolarHBondContact CG-OE1 3.44Å; R133-E137 IonicContact CZ-OE1 3.02Å; R133-E137 IonicContact NE-OE1 2.72Å; R133-E137 VanDerWaalsContact NH1-CD 3.34Å; R133-E137 IonicContact NH1-OE1 2.86Å; R133-E137 PolarHBondContact NH1-OE1 3.4Å; R133-E137 IonicContact NH1-OE2 2.67Å; R133-E137 PolarHBondContact NH1-OE2 2.63Å; R133-E137 PolarHBondContact O-N 2.96Å; R133-E137 VanDerWaalsContact O-N 3.15Å; M134-E137 WeakPolarHBondContact O-CB 3.28Å; M134-E137 PolarHBondContact O-N 2.88Å; M134-E137 VanDerWaalsContact O-N 3.08Å; V135-E137 PolarHBondContact O-N 3.25Å |
| 138 | R | 94.1 | Very high | 94.9 | Very high | 80 Ų | 80 | 37.8 Ų | 37.8 | 30% | 0.302 | 19% | 0.188 | S | C | . | . | trans | 58.7 | 63 | 178.8 | -50.1 | -61.5 | 177.4 | -134.8 | -9.7 | 112.6 | V135 C136 Q170 R173 T174 | V135-R138 PolarHBondContact O-N 3.16Å; V135-R138 PolarHBondContact O-NH1 2.78Å; C136-R138 VanDerWaalsContact C-N 3.25Å; C136-R138 PolarHBondContact O-N 3.28Å; R138-Q170 PolarHBondContact NH1-O 3.47Å; R138-Q170 VanDerWaalsContact NH1-OE1 3.09Å; R138-R173 VanDerWaalsContact NH2-CD 3.3Å; R138-T174 WeakPolarHBondContact CD-OG1 3.47Å; R138-T174 PolarHBondContact NH1-OG1 3.43Å; R138-T174 VanDerWaalsContact NH1-OG1 3.14Å | ||
| 139 | P | 94.3 | Very high | 95 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 7% | 0.071 | 19% | 0.188 | C | C | . | . | trans | -65 | 154.4 | -178.3 | 29.1 | -36.8 | 0 | 0 | 0 | 111.3 | M134 L143 C144 T174 F178 | M134-P139 VanDerWaalsContact O-CD 3.24Å; M134-P139 WeakPolarHBondContact O-CD 3.33Å; P139-L143 HydrophobicContact CB-CB 4.36Å; P139-L143 HydrophobicContact CB-CD2 3.7Å; P139-L143 HydrophobicContact CB-CG 4.21Å; P139-C144 HydrophobicContact CG-CB 4.23Å; P139-T174 HydrophobicContact CG-CG2 3.86Å; P139-F178 WeakPolarHBondContact O-CE1 3.3Å | ||
| 140 | E | 93.1 | Very high | 95.1 | Very high | 148 Ų | 148 | 32.7 Ų | 32.7 | 69% | 0.692 | 16% | 0.161 | S | C | * | . | trans | -63.5 | 157.1 | 173.9 | -68.7 | -170.2 | 176.2 | 0 | 0 | 112.3 | A142 L143 C144 | E140-A142 VanDerWaalsContact C-N 3.25Å; E140-A142 PolarHBondContact O-N 2.79Å; E140-L143 PolarHBondContact O-N 3.15Å; E140-C144 WeakPolarHBondContact O-CB 3.47Å; E140-C144 PolarHBondContact O-N 3.11Å | ||
| 141 | P | 94.3 | Very high | 95.2 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 10% | 0.097 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.7 | -38.4 | -177.6 | -24.4 | 32.1 | 0 | 0 | 0 | 113.7 | C144 A145 F178 Y191 Q194 | P141-C144 PolarHBondContact O-N 2.73Å; P141-A145 VanDerWaalsContact O-CB 3.3Å; P141-A145 WeakPolarHBondContact O-CB 3.4Å; P141-A145 PolarHBondContact O-N 3.15Å; P141-F178 HydrophobicContact CB-CD1 4.36Å; P141-F178 HydrophobicContact CB-CE1 4.42Å; P141-F178 HydrophobicContact CB-CG 4.39Å; P141-F178 HydrophobicContact CG-CB 4.06Å; P141-F178 HydrophobicContact CG-CD1 3.73Å; P141-F178 HydrophobicContact CG-CD2 4.4Å; P141-F178 HydrophobicContact CG-CE1 4.2Å; P141-F178 HydrophobicContact CG-CG 3.83Å; P141-Y191 HydrophobicContact CB-CD2 4.07Å; P141-Y191 HydrophobicContact CB-CE2 4.18Å; P141-Y191 HydrophobicContact CG-CD2 3.95Å; P141-Y191 HydrophobicContact CG-CE2 3.73Å; P141-Q194 HydrophobicContact CB-CB 4.34Å |
| 142 | A | 92.8 | Very high | 95.2 | Very high | 34 Ų | 34 | 34.3 Ų | 34.3 | 28% | 0.281 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.8 | -50.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E140 A145 R146 | E140-A142 VanDerWaalsContact C-N 3.25Å; E140-A142 PolarHBondContact O-N 2.79Å; A142-A145 PolarHBondContact O-N 3.35Å; A142-R146 WeakPolarHBondContact O-CG 3.46Å; A142-R146 PolarHBondContact O-N 3.34Å; A142-R146 VanDerWaalsContact O-N 3.13Å |
| 143 | L | 94.4 | Very high | 95.1 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 7% | 0.068 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 176.6 | 179.1 | 64.2 | 0 | 0 | 0 | 110.8 | R99 A101 I104 M134 P139 E140 A145 R146 L147 | R99-L143 HydrophobicContact CB-CD2 4.25Å; R99-L143 WeakPolarHBondContact O-CD2 3.26Å; A101-L143 HydrophobicContact CB-CD1 4.42Å; I104-L143 HydrophobicContact CB-CD1 4.46Å; I104-L143 HydrophobicContact CG1-CD1 3.54Å; M134-L143 HydrophobicContact CE-CD1 4.19Å; M134-L143 HydrophobicContact CE-CD2 3.98Å; M134-L143 HydrophobicContact CE-CG 4.24Å; P139-L143 HydrophobicContact CB-CB 4.36Å; P139-L143 HydrophobicContact CB-CD2 3.7Å; P139-L143 HydrophobicContact CB-CG 4.21Å; E140-L143 PolarHBondContact O-N 3.15Å; L143-A145 VanDerWaalsContact C-N 3.28Å; L143-A145 PolarHBondContact O-N 2.81Å; L143-R146 PolarHBondContact O-N 3.02Å; L143-L147 WeakPolarHBondContact O-CB 3.46Å; L143-L147 PolarHBondContact O-N 3.04Å |
| 144 | C | 96.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -35 | 179.3 | -159.1 | 0 | 0 | 0 | 0 | 112.1 | P139 E140 P141 S148 F178 V198 | P139-C144 HydrophobicContact CG-CB 4.23Å; E140-C144 WeakPolarHBondContact O-CB 3.47Å; E140-C144 PolarHBondContact O-N 3.11Å; P141-C144 PolarHBondContact O-N 2.73Å; C144-S148 WeakPolarHBondContact O-CB 3.48Å; C144-S148 PolarHBondContact O-N 2.96Å; C144-S148 PolarHBondContact O-OG 3.39Å; C144-F178 HydrophobicContact CB-CE1 4.25Å; C144-F178 HydrophobicContact CB-CZ 3.79Å; C144-V198 HydrophobicContact CB-CG2 3.95Å |
| 145 | A | 96.6 | Very high | 95 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.4 | -36.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | P141 A142 L143 S148 T149 Q194 K197 | P141-A145 VanDerWaalsContact O-CB 3.3Å; P141-A145 WeakPolarHBondContact O-CB 3.4Å; P141-A145 PolarHBondContact O-N 3.15Å; A142-A145 PolarHBondContact O-N 3.35Å; L143-A145 VanDerWaalsContact C-N 3.28Å; L143-A145 PolarHBondContact O-N 2.81Å; A145-S148 PolarHBondContact O-N 3.19Å; A145-T149 PolarHBondContact O-N 3.45Å; A145-T149 PolarHBondContact O-OG1 3.05Å; A145-Q194 HydrophobicContact CB-CB 3.77Å; A145-Q194 HydrophobicContact CB-CG 3.96Å; A145-K197 HydrophobicContact CB-CB 4.41Å; A145-K197 HydrophobicContact CB-CD 4.28Å |
| 146 | R | 95.6 | Very high | 94.9 | Very high | 99 Ų | 99 | 41 Ų | 41 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.2 | -47 | 172.4 | -62 | -40.4 | -178.5 | 134.1 | -8 | 111.2 | A101 I104 D105 A142 L143 S148 T149 L150 | A101-R146 HydrophobicContact CB-CG 3.99Å; I104-R146 HydrophobicContact CB-CB 4.28Å; I104-R146 HydrophobicContact CG2-CB 3.98Å; D105-R146 WeakPolarHBondContact OD1-CD 3.31Å; D105-R146 IonicContact OD1-CZ 3.37Å; D105-R146 IonicContact OD1-NE 3.13Å; D105-R146 IonicContact OD1-NH1 3.85Å; D105-R146 PolarHBondContact OD1-NH1 3.45Å; D105-R146 VanDerWaalsContact OD1-NH1 3.13Å; D105-R146 IonicContact OD2-CZ 3.25Å; D105-R146 IonicContact OD2-NE 3Å; D105-R146 IonicContact OD2-NH1 3.44Å; D105-R146 PolarHBondContact OD2-NH1 2.6Å; A142-R146 WeakPolarHBondContact O-CG 3.46Å; A142-R146 PolarHBondContact O-N 3.34Å; A142-R146 VanDerWaalsContact O-N 3.13Å; L143-R146 PolarHBondContact O-N 3.02Å; R146-S148 PolarHBondContact O-N 3.22Å; R146-T149 WeakPolarHBondContact O-CB 3.46Å; R146-T149 PolarHBondContact O-N 2.82Å; R146-L150 PolarHBondContact O-N 3.22Å |
| 147 | L | 96.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.3 | -44 | 173.2 | 177.5 | 60.1 | 0 | 0 | 0 | 111 | V131 V135 L143 T149 L150 L151 | V131-L147 HydrophobicContact CB-CD1 4.08Å; V131-L147 HydrophobicContact CB-CD2 4.48Å; V131-L147 HydrophobicContact CG1-CD1 3.46Å; V131-L147 VanDerWaalsContact CG1-CD1 3.46Å; V135-L147 HydrophobicContact CG1-CD2 4.07Å; L143-L147 WeakPolarHBondContact O-CB 3.46Å; L143-L147 PolarHBondContact O-N 3.04Å; L147-T149 VanDerWaalsContact C-N 3.29Å; L147-T149 PolarHBondContact O-N 3.23Å; L147-L150 PolarHBondContact O-N 3.44Å; L147-L151 HydrophobicContact CD1-CD1 3.98Å; L147-L151 HydrophobicContact CD1-CD2 4.48Å; L147-L151 HydrophobicContact CD1-CG 3.98Å; L147-L151 HydrophobicContact CG-CD1 3.93Å; L147-L151 HydrophobicContact CG-CG 4.32Å; L147-L151 WeakPolarHBondContact O-CB 3.46Å; L147-L151 VanDerWaalsContact O-CG 3.28Å; L147-L151 WeakPolarHBondContact O-CG 3.3Å; L147-L151 PolarHBondContact O-N 3.35Å |
| 148 | S | 96.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.6 | -32.9 | 178.7 | -60.2 | 0 | 0 | 0 | 0 | 113.5 | C144 A145 R146 S152 V198 | C144-S148 WeakPolarHBondContact O-CB 3.48Å; C144-S148 PolarHBondContact O-N 2.96Å; C144-S148 PolarHBondContact O-OG 3.39Å; A145-S148 PolarHBondContact O-N 3.19Å; R146-S148 PolarHBondContact O-N 3.22Å; S148-S152 VanDerWaalsContact O-CB 3.24Å; S148-S152 WeakPolarHBondContact O-CB 3.48Å; S148-S152 PolarHBondContact O-N 3.5Å; S148-S152 PolarHBondContact O-OG 3.1Å; S148-V198 WeakPolarHBondContact OG-CA 3.31Å |
| 149 | T | 96.4 | Very high | 94.9 | Very high | 42 Ų | 42 | 32.7 Ų | 32.7 | 26% | 0.258 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -70.5 | -44.5 | 175.7 | -50.5 | 0 | 0 | 0 | 0 | 110.6 | A145 R146 L147 S152 D153 | A145-T149 PolarHBondContact O-N 3.45Å; A145-T149 PolarHBondContact O-OG1 3.05Å; R146-T149 WeakPolarHBondContact O-CB 3.46Å; R146-T149 PolarHBondContact O-N 2.82Å; L147-T149 VanDerWaalsContact C-N 3.29Å; L147-T149 PolarHBondContact O-N 3.23Å; T149-S152 PolarHBondContact O-N 3.2Å; T149-D153 PolarHBondContact O-N 2.98Å |
| 150 | L | 96.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.4 | -51.3 | 174.3 | -177.4 | 163.6 | 0 | 0 | 0 | 110.8 | I104 I107 H108 L111 R146 L147 S152 D153 F154 C157 | I104-L150 HydrophobicContact CG2-CB 4.47Å; I104-L150 HydrophobicContact CG2-CD1 4.05Å; I107-L150 HydrophobicContact CG2-CD1 4.05Å; H108-L150 HydrophobicContact CB-CB 4.18Å; H108-L150 HydrophobicContact CB-CD1 3.98Å; H108-L150 HydrophobicContact CB-CG 4.11Å; L111-L150 HydrophobicContact CD1-CD1 4.26Å; L111-L150 HydrophobicContact CD1-CD2 4.19Å; L111-L150 HydrophobicContact CD1-CG 4.27Å; R146-L150 PolarHBondContact O-N 3.22Å; L147-L150 PolarHBondContact O-N 3.44Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 2.86Å; L150-D153 PolarHBondContact O-N 3.49Å; L150-F154 WeakPolarHBondContact O-CD2 3.24Å; L150-F154 PolarHBondContact O-N 3.37Å; L150-C157 HydrophobicContact CD2-CB 4.32Å |
| 151 | L | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -38.7 | -179.1 | -67.1 | 178.7 | 0 | 0 | 0 | 111.4 | V131 L147 D153 F154 M155 C157 I158 F167 L201 | V131-L151 HydrophobicContact CG1-CD2 4.29Å; V131-L151 HydrophobicContact CG2-CD2 4.46Å; L147-L151 HydrophobicContact CD1-CD1 3.98Å; L147-L151 HydrophobicContact CD1-CD2 4.48Å; L147-L151 HydrophobicContact CD1-CG 3.98Å; L147-L151 HydrophobicContact CG-CD1 3.93Å; L147-L151 HydrophobicContact CG-CG 4.32Å; L147-L151 WeakPolarHBondContact O-CB 3.46Å; L147-L151 VanDerWaalsContact O-CG 3.28Å; L147-L151 WeakPolarHBondContact O-CG 3.3Å; L147-L151 PolarHBondContact O-N 3.35Å; L151-D153 VanDerWaalsContact C-N 3.32Å; L151-D153 PolarHBondContact O-N 2.97Å; L151-F154 CarbonylContact O-C 3.05Å; L151-F154 PolarHBondContact O-N 3.47Å; L151-M155 WeakPolarHBondContact O-CE 3.37Å; L151-M155 PolarHBondContact O-N 3.05Å; L151-M155 VanDerWaalsContact O-N 3.17Å; L151-C157 HydrophobicContact CD2-CB 3.51Å; L151-I158 HydrophobicContact CB-CD1 4.32Å; L151-I158 HydrophobicContact CB-CG1 4.12Å; L151-I158 HydrophobicContact CD1-CG1 4.42Å; L151-I158 HydrophobicContact CD2-CG1 3.97Å; L151-I158 HydrophobicContact CG-CG1 4.39Å; L151-F167 HydrophobicContact CD1-CE2 4.43Å; L151-F167 HydrophobicContact CD1-CZ 3.72Å; L151-L201 HydrophobicContact CB-CD1 3.72Å; L151-L201 HydrophobicContact CB-CD2 4.22Å; L151-L201 HydrophobicContact CD1-CD2 3.84Å |
| 152 | S | 95.5 | Very high | 93.9 | Very high | 48 Ų | 48 | 48 Ų | 48 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 176.8 | -65.4 | 0 | 0 | 0 | 0 | 112.9 | S148 T149 L150 M155 | S148-S152 VanDerWaalsContact O-CB 3.24Å; S148-S152 WeakPolarHBondContact O-CB 3.48Å; S148-S152 PolarHBondContact O-N 3.5Å; S148-S152 PolarHBondContact O-OG 3.1Å; T149-S152 PolarHBondContact O-N 3.2Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 2.86Å; S152-M155 VanDerWaalsContact CA-CE 3.46Å |
| 153 | D | 94.8 | Very high | 93.8 | Very high | 82 Ų | 82 | 48.6 Ų | 48.6 | 44% | 0.439 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -76 | -31.8 | 176.7 | -74.5 | 1.3 | 0 | 0 | 0 | 112.2 | H108 R112 T149 L150 L151 | H108-D153 IonicContact CE1-OD2 3.28Å; H108-D153 PolarHBondContact CE1-OD2 3.45Å; H108-D153 IonicContact NE2-OD2 3.68Å; H108-D153 PolarHBondContact NE2-OD2 2.96Å; R112-D153 IonicContact CZ-OD2 3.47Å; R112-D153 IonicContact NE-OD2 3.47Å; R112-D153 PolarHBondContact NE-OD2 3.48Å; R112-D153 IonicContact NH2-OD2 2.7Å; R112-D153 PolarHBondContact NH2-OD2 3Å; T149-D153 PolarHBondContact O-N 2.98Å; L150-D153 PolarHBondContact O-N 3.49Å; L151-D153 VanDerWaalsContact C-N 3.32Å; L151-D153 PolarHBondContact O-N 2.97Å |
| 154 | F | 94.7 | Very high | 93.8 | Very high | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | trans | -125 | 73.2 | -175.2 | -62.2 | -82.4 | 0 | 0 | 0 | 111.2 | H108 L111 R112 I115 F124 L150 L151 Q156 C157 | H108-F154 AromaticContact CD2-CD2 3.95Å; H108-F154 AromaticContact CD2-CE2 3.61Å; H108-F154 AromaticContact NE2-CE2 3.92Å; L111-F154 HydrophobicContact CB-CD2 4.37Å; L111-F154 HydrophobicContact CB-CE1 4.12Å; L111-F154 HydrophobicContact CB-CE2 3.86Å; L111-F154 HydrophobicContact CB-CZ 3.71Å; L111-F154 HydrophobicContact CD1-CD2 4.28Å; R112-F154 HydrophobicContact CB-CZ 4.38Å; R112-F154 HydrophobicContact CG-CE2 3.93Å; R112-F154 HydrophobicContact CG-CZ 3.7Å; I115-F154 HydrophobicContact CB-CE1 4.42Å; I115-F154 HydrophobicContact CD1-CD1 4.34Å; I115-F154 HydrophobicContact CD1-CE1 3.62Å; I115-F154 HydrophobicContact CD1-CZ 4.47Å; I115-F154 HydrophobicContact CG1-CE1 4.03Å; F124-F154 HydrophobicContact CE1-CB 4.38Å; F124-F154 AromaticContact CE1-CD1 3.85Å; F124-F154 HydrophobicContact CE1-CD1 3.85Å; F124-F154 HydrophobicContact CE1-CG 4.38Å; F124-F154 AromaticContact CZ-CD1 3.87Å; F124-F154 HydrophobicContact CZ-CD1 3.87Å; F124-F154 HydrophobicContact CZ-CE1 4.46Å; L150-F154 WeakPolarHBondContact O-CD2 3.24Å; L150-F154 PolarHBondContact O-N 3.37Å; L151-F154 CarbonylContact O-C 3.05Å; L151-F154 PolarHBondContact O-N 3.47Å; F154-Q156 PolarHBondContact O-N 2.8Å; F154-C157 VanDerWaalsContact O-CB 3.3Å; F154-C157 WeakPolarHBondContact O-CB 3.36Å; F154-C157 PolarHBondContact O-N 3.25Å | ||
| 155 | M | 92.1 | Very high | 93.7 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -55.9 | -23.2 | 178.5 | -64.9 | -81.1 | 92.3 | 0 | 0 | 113.3 | L151 S152 C157 I158 L201 | L151-M155 WeakPolarHBondContact O-CE 3.37Å; L151-M155 PolarHBondContact O-N 3.05Å; L151-M155 VanDerWaalsContact O-N 3.17Å; S152-M155 VanDerWaalsContact CA-CE 3.46Å; M155-C157 PolarHBondContact O-N 2.84Å; M155-I158 HydrophobicContact CE-CD1 3.52Å; M155-I158 WeakPolarHBondContact O-CB 3.33Å; M155-I158 PolarHBondContact O-N 2.95Å; M155-I158 HydrophobicContact SD-CD1 4.08Å; M155-L201 HydrophobicContact CE-CD1 4.14Å |
| 156 | Q | 92.9 | Very high | 93.7 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -64.2 | -22.5 | 175.4 | -57.4 | 85.9 | -16.8 | 0 | 0 | 112.7 | F124 Q128 F154 I158 | F124-Q156 HydrophobicContact CD2-CB 3.73Å; F124-Q156 HydrophobicContact CD2-CG 4.35Å; F124-Q156 HydrophobicContact CE2-CB 3.95Å; F124-Q156 HydrophobicContact CE2-CG 4.19Å; F124-Q156 HydrophobicContact CG-CB 4.11Å; F124-Q156 HydrophobicContact CZ-CB 4.48Å; Q128-Q156 PolarHBondContact NE2-O 3.12Å; F154-Q156 PolarHBondContact O-N 2.8Å; Q156-I158 VanDerWaalsContact C-N 3.27Å; Q156-I158 PolarHBondContact O-N 3.07Å |
| 157 | C | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -78.5 | -7.6 | 176.8 | -66.1 | 0 | 0 | 0 | 0 | 113.4 | F124 I127 Q128 L150 L151 F154 M155 | F124-C157 WeakPolarHBondContact CD1-SG 3.36Å; I127-C157 HydrophobicContact CB-CB 4.43Å; I127-C157 HydrophobicContact CG2-CB 3.7Å; Q128-C157 WeakPolarHBondContact CA-O 3.33Å; Q128-C157 WeakPolarHBondContact CG-O 3.43Å; L150-C157 HydrophobicContact CD2-CB 4.32Å; L151-C157 HydrophobicContact CD2-CB 3.51Å; F154-C157 VanDerWaalsContact O-CB 3.3Å; F154-C157 WeakPolarHBondContact O-CB 3.36Å; F154-C157 PolarHBondContact O-N 3.25Å; M155-C157 PolarHBondContact O-N 2.84Å |
| 158 | I | 94.9 | Very high | 93.8 | Very high | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -81.8 | 132.9 | -179.7 | -58.9 | 179.1 | 0 | 0 | 0 | 109.5 | L151 M155 Q156 F167 L201 I205 | L151-I158 HydrophobicContact CB-CD1 4.32Å; L151-I158 HydrophobicContact CB-CG1 4.12Å; L151-I158 HydrophobicContact CD1-CG1 4.42Å; L151-I158 HydrophobicContact CD2-CG1 3.97Å; L151-I158 HydrophobicContact CG-CG1 4.39Å; M155-I158 HydrophobicContact CE-CD1 3.52Å; M155-I158 WeakPolarHBondContact O-CB 3.33Å; M155-I158 PolarHBondContact O-N 2.95Å; M155-I158 HydrophobicContact SD-CD1 4.08Å; Q156-I158 VanDerWaalsContact C-N 3.27Å; Q156-I158 PolarHBondContact O-N 3.07Å; I158-F167 HydrophobicContact CG2-CD1 4.35Å; I158-F167 HydrophobicContact CG2-CE1 4.44Å; I158-L201 HydrophobicContact CD1-CD1 4.17Å; I158-I205 HydrophobicContact CD1-CD1 3.95Å; I158-I205 HydrophobicContact CD1-CG1 3.81Å; I158-I205 HydrophobicContact CG2-CD1 4.13Å; I158-I205 HydrophobicContact CG2-CG1 4.48Å |
| 159 | P | 94.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | trans | -55.1 | 140.7 | 173.3 | -24.4 | 34 | 0 | 0 | 0 | 111.8 | Q128 V131 L132 S163 G164 F167 | Q128-P159 WeakPolarHBondContact O-CG 3.34Å; V131-P159 HydrophobicContact CG2-CG 4.18Å; L132-P159 HydrophobicContact CB-CG 4.12Å; P159-S163 WeakPolarHBondContact CB-OG 3.33Å; P159-G164 WeakPolarHBondContact O-CA 3.47Å; P159-F167 HydrophobicContact CB-CB 4.24Å; P159-F167 HydrophobicContact CG-CB 3.98Å; P159-F167 HydrophobicContact CG-CD2 3.93Å; P159-F167 HydrophobicContact CG-CG 4.05Å | ||
| 160 | R | 88.1 | Confident | 93.8 | Very high | 155 Ų | 155 | 49.1 Ų | 49.1 | 59% | 0.585 | 24% | 0.239 | S | C | * | . | trans | -108.1 | 163.3 | -176.1 | -63.7 | -173.6 | 178.2 | -175.6 | -1.5 | 112.8 | K162 S163 G164 | R160-K162 PolarHBondContact O-N 2.68Å; R160-S163 PolarHBondContact N-OG 3.47Å; R160-S163 PolarHBondContact O-N 3.36Å; R160-S163 PolarHBondContact O-OG 2.92Å; R160-G164 PolarHBondContact O-N 3.27Å | ||
| 161 | E | 85.9 | Confident | 93.8 | Very high | 151 Ų | 151 | 49 Ų | 49 | 71% | 0.706 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | 55.7 | -131 | 174.5 | -52.9 | 179.9 | 178.6 | 0 | 0 | 112 | S163 G164 V165 | E161-S163 PolarHBondContact O-N 2.94Å; E161-G164 WeakPolarHBondContact O-CA 3.44Å; E161-G164 PolarHBondContact O-N 3.17Å; E161-V165 PolarHBondContact O-N 3.16Å |
| 162 | K | 87 | Confident | 93.9 | Very high | 188 Ų | 188 | 49 Ų | 49 | 82% | 0.817 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -57.2 | -35.6 | 179.8 | -65 | -176.9 | -179.7 | 178.3 | 0 | 112.7 | R160 G164 L166 | R160-K162 PolarHBondContact O-N 2.68Å; K162-G164 VanDerWaalsContact C-N 3.33Å; K162-L166 PolarHBondContact O-N 3.34Å |
| 163 | S | 90.3 | Very high | 93.9 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 33% | 0.329 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72.7 | -27.8 | 177.7 | 70 | 0 | 0 | 0 | 0 | 112.5 | P159 R160 E161 L166 F167 | P159-S163 WeakPolarHBondContact CB-OG 3.33Å; R160-S163 PolarHBondContact N-OG 3.47Å; R160-S163 PolarHBondContact O-N 3.36Å; R160-S163 PolarHBondContact O-OG 2.92Å; E161-S163 PolarHBondContact O-N 2.94Å; S163-L166 PolarHBondContact O-N 3.48Å; S163-F167 VanDerWaalsContact O-CB 3.32Å; S163-F167 WeakPolarHBondContact O-CB 3.48Å; S163-F167 PolarHBondContact O-N 3.18Å |
| 164 | G | 93.1 | Very high | 94 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.4 | -40.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P159 R160 E161 K162 F167 C168 | P159-G164 WeakPolarHBondContact O-CA 3.47Å; R160-G164 PolarHBondContact O-N 3.27Å; E161-G164 WeakPolarHBondContact O-CA 3.44Å; E161-G164 PolarHBondContact O-N 3.17Å; K162-G164 VanDerWaalsContact C-N 3.33Å; G164-F167 WeakPolarHBondContact O-CB 3.25Å; G164-F167 PolarHBondContact O-N 3.13Å; G164-C168 PolarHBondContact O-N 2.89Å; G164-C168 PolarHBondContact O-SG 3.43Å |
| 165 | V | 95 | Very high | 94.1 | Very high | 35 Ų | 35 | 46.5 Ų | 46.5 | 21% | 0.212 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.8 | -48.5 | 172.3 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | E161 F167 C168 Q169 T212 P215 | E161-V165 PolarHBondContact O-N 3.16Å; V165-F167 VanDerWaalsContact C-N 3.34Å; V165-F167 PolarHBondContact O-N 3.18Å; V165-C168 PolarHBondContact O-N 3.45Å; V165-Q169 WeakPolarHBondContact O-CG 3.39Å; V165-Q169 PolarHBondContact O-N 2.97Å; V165-T212 HydrophobicContact CG2-CG2 4.13Å; V165-P215 HydrophobicContact CG1-CB 3.63Å; V165-P215 HydrophobicContact CG1-CG 3.9Å |
| 166 | L | 95.4 | Very high | 94.3 | Very high | 70 Ų | 70 | 43 Ų | 43 | 37% | 0.366 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 177.7 | -177.1 | 63.8 | 0 | 0 | 0 | 111.4 | L132 K162 S163 C168 Q169 Q170 | L132-L166 HydrophobicContact CD1-CD2 4.45Å; L132-L166 HydrophobicContact CD1-CG 4.27Å; L132-L166 HydrophobicContact CD2-CD2 4.29Å; K162-L166 PolarHBondContact O-N 3.34Å; S163-L166 PolarHBondContact O-N 3.48Å; L166-C168 VanDerWaalsContact C-N 3.33Å; L166-C168 PolarHBondContact O-N 3.24Å; L166-Q169 PolarHBondContact O-N 3.05Å; L166-Q170 HydrophobicContact CD1-CG 4.11Å; L166-Q170 HydrophobicContact CG-CG 4.26Å; L166-Q170 WeakPolarHBondContact O-CB 3.45Å; L166-Q170 WeakPolarHBondContact O-CG 3.32Å; L166-Q170 PolarHBondContact O-N 2.9Å |
| 167 | F | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.3 | -48.2 | 175.5 | 176.3 | -97.4 | 0 | 0 | 0 | 111.5 | V131 L132 V135 L151 I158 P159 S163 G164 V165 Q170 L171 I205 | V131-F167 HydrophobicContact CB-CE2 4.43Å; V131-F167 HydrophobicContact CG2-CE2 4.13Å; L132-F167 HydrophobicContact CD1-CB 4Å; L132-F167 HydrophobicContact CD1-CD2 4.3Å; V135-F167 HydrophobicContact CB-CE2 4.4Å; V135-F167 HydrophobicContact CG1-CD2 4.36Å; V135-F167 HydrophobicContact CG1-CE2 3.64Å; V135-F167 HydrophobicContact CG1-CZ 4.19Å; V135-F167 HydrophobicContact CG2-CD2 3.71Å; V135-F167 HydrophobicContact CG2-CE2 3.85Å; L151-F167 HydrophobicContact CD1-CE2 4.43Å; L151-F167 HydrophobicContact CD1-CZ 3.72Å; I158-F167 HydrophobicContact CG2-CD1 4.35Å; I158-F167 HydrophobicContact CG2-CE1 4.44Å; P159-F167 HydrophobicContact CB-CB 4.24Å; P159-F167 HydrophobicContact CG-CB 3.98Å; P159-F167 HydrophobicContact CG-CD2 3.93Å; P159-F167 HydrophobicContact CG-CG 4.05Å; S163-F167 VanDerWaalsContact O-CB 3.32Å; S163-F167 WeakPolarHBondContact O-CB 3.48Å; S163-F167 PolarHBondContact O-N 3.18Å; G164-F167 WeakPolarHBondContact O-CB 3.25Å; G164-F167 PolarHBondContact O-N 3.13Å; V165-F167 VanDerWaalsContact C-N 3.34Å; V165-F167 PolarHBondContact O-N 3.18Å; F167-Q170 PolarHBondContact O-N 3.31Å; F167-L171 HydrophobicContact CE1-CD2 4.14Å; F167-L171 HydrophobicContact CZ-CD2 4.4Å; F167-L171 WeakPolarHBondContact O-CB 3.4Å; F167-L171 PolarHBondContact O-N 2.89Å; F167-I205 HydrophobicContact CD1-CD1 4.19Å; F167-I205 HydrophobicContact CE1-CD1 3.76Å |
| 168 | C | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 179 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | G164 V165 L166 Q170 L171 V172 L202 S216 | G164-C168 PolarHBondContact O-N 2.89Å; G164-C168 PolarHBondContact O-SG 3.43Å; V165-C168 PolarHBondContact O-N 3.45Å; L166-C168 VanDerWaalsContact C-N 3.33Å; L166-C168 PolarHBondContact O-N 3.24Å; C168-Q170 VanDerWaalsContact C-N 3.34Å; C168-Q170 PolarHBondContact O-N 3.21Å; C168-L171 PolarHBondContact O-N 3.16Å; C168-V172 WeakPolarHBondContact O-CG2 3.5Å; C168-V172 PolarHBondContact O-N 3.01Å; C168-L202 HydrophobicContact CB-CD1 3.76Å; C168-S216 VanDerWaalsContact CB-OG 3.23Å; C168-S216 WeakPolarHBondContact CB-OG 3.42Å |
| 169 | Q | 96.5 | Very high | 94.1 | Very high | 46 Ų | 46 | 47.7 Ų | 47.7 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.4 | -69.8 | 176.4 | -41.6 | 0 | 0 | 111.9 | V165 L166 V172 R173 E219 | V165-Q169 WeakPolarHBondContact O-CG 3.39Å; V165-Q169 PolarHBondContact O-N 2.97Å; L166-Q169 PolarHBondContact O-N 3.05Å; Q169-V172 PolarHBondContact O-N 3.37Å; Q169-R173 WeakPolarHBondContact O-CG 3.5Å; Q169-R173 PolarHBondContact O-N 2.73Å; Q169-E219 HydrophobicContact CB-CB 4.45Å; Q169-E219 HydrophobicContact CB-CG 4.17Å; Q169-E219 HydrophobicContact CG-CB 4.23Å; Q169-E219 HydrophobicContact CG-CG 4.46Å |
| 170 | Q | 97.1 | Very high | 93.8 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69 | -36.3 | 177.2 | -64.6 | -63.1 | -14.2 | 0 | 0 | 111.8 | V135 R138 L166 F167 C168 R173 T174 | V135-Q170 HydrophobicContact CG2-CB 3.86Å; R138-Q170 PolarHBondContact NH1-O 3.47Å; R138-Q170 VanDerWaalsContact NH1-OE1 3.09Å; L166-Q170 HydrophobicContact CD1-CG 4.11Å; L166-Q170 HydrophobicContact CG-CG 4.26Å; L166-Q170 WeakPolarHBondContact O-CB 3.45Å; L166-Q170 WeakPolarHBondContact O-CG 3.32Å; L166-Q170 PolarHBondContact O-N 2.9Å; F167-Q170 PolarHBondContact O-N 3.31Å; C168-Q170 VanDerWaalsContact C-N 3.34Å; C168-Q170 PolarHBondContact O-N 3.21Å; Q170-R173 PolarHBondContact O-N 2.84Å; Q170-T174 WeakPolarHBondContact O-CB 3.38Å; Q170-T174 PolarHBondContact O-N 3.06Å; Q170-T174 PolarHBondContact O-OG1 3.35Å; Q170-T174 VanDerWaalsContact O-OG1 3.07Å |
| 171 | L | 97.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 174.2 | -170.7 | 59.7 | 0 | 0 | 0 | 111.4 | V135 F167 C168 T174 I175 V198 L201 L202 | V135-L171 HydrophobicContact CG1-CD1 3.99Å; F167-L171 HydrophobicContact CE1-CD2 4.14Å; F167-L171 HydrophobicContact CZ-CD2 4.4Å; F167-L171 WeakPolarHBondContact O-CB 3.4Å; F167-L171 PolarHBondContact O-N 2.89Å; C168-L171 PolarHBondContact O-N 3.16Å; L171-T174 WeakPolarHBondContact O-CB 3.43Å; L171-T174 PolarHBondContact O-N 3.23Å; L171-T174 VanDerWaalsContact O-N 3.14Å; L171-I175 HydrophobicContact CG-CD1 4.41Å; L171-I175 VanDerWaalsContact O-CG1 3.32Å; L171-I175 WeakPolarHBondContact O-CG1 3.39Å; L171-I175 PolarHBondContact O-N 2.83Å; L171-V198 HydrophobicContact CD1-CG1 3.75Å; L171-V198 HydrophobicContact CD2-CG1 4.19Å; L171-V198 HydrophobicContact CG-CG1 4.09Å; L171-L201 HydrophobicContact CD2-CD2 4.19Å; L171-L202 HydrophobicContact CD2-CB 4.26Å; L171-L202 HydrophobicContact CD2-CD1 4.27Å |
| 172 | V | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | 173 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | C168 Q169 T174 I175 S176 L202 E219 V220 I223 L237 L240 | C168-V172 WeakPolarHBondContact O-CG2 3.5Å; C168-V172 PolarHBondContact O-N 3.01Å; Q169-V172 PolarHBondContact O-N 3.37Å; V172-T174 PolarHBondContact O-N 3.4Å; V172-I175 PolarHBondContact O-N 3.48Å; V172-S176 PolarHBondContact O-N 3.31Å; V172-L202 HydrophobicContact CG2-CD2 3.68Å; V172-E219 HydrophobicContact CB-CG 4.37Å; V172-E219 HydrophobicContact CG1-CB 4.26Å; V172-E219 HydrophobicContact CG1-CG 4.1Å; V172-V220 HydrophobicContact CG1-CB 4.42Å; V172-V220 HydrophobicContact CG1-CG2 3.53Å; V172-V220 HydrophobicContact CG2-CG2 4.33Å; V172-I223 HydrophobicContact CG1-CD1 3.74Å; V172-L237 HydrophobicContact CG1-CD2 4.14Å; V172-L240 HydrophobicContact CG2-CD1 4.02Å |
| 173 | R | 96.3 | Very high | 92.9 | Very high | 84 Ų | 84 | 39 Ų | 39 | 32% | 0.317 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.9 | -28.5 | 175.6 | -72.5 | 178.3 | -175.2 | 164.8 | 12.1 | 113.3 | R138 Q169 Q170 S176 C177 E219 I223 | R138-R173 VanDerWaalsContact NH2-CD 3.3Å; Q169-R173 WeakPolarHBondContact O-CG 3.5Å; Q169-R173 PolarHBondContact O-N 2.73Å; Q170-R173 PolarHBondContact O-N 2.84Å; R173-S176 WeakPolarHBondContact CA-OG 3.39Å; R173-S176 PolarHBondContact O-OG 3.36Å; R173-C177 PolarHBondContact O-SG 2.92Å; R173-C177 VanDerWaalsContact O-SG 3.36Å; R173-E219 HydrophobicContact CG-CG 4.09Å; R173-E219 IonicContact CZ-OE1 3.13Å; R173-E219 VanDerWaalsContact CZ-OE1 3.28Å; R173-E219 IonicContact CZ-OE2 3.82Å; R173-E219 VanDerWaalsContact NE-CD 3.29Å; R173-E219 IonicContact NE-OE1 2.6Å; R173-E219 PolarHBondContact NE-OE1 3.41Å; R173-E219 IonicContact NE-OE2 3.37Å; R173-E219 VanDerWaalsContact NH2-CD 3.29Å; R173-E219 IonicContact NH2-OE1 3.04Å; R173-E219 PolarHBondContact NH2-OE1 3.13Å; R173-E219 IonicContact NH2-OE2 3.15Å; R173-E219 PolarHBondContact NH2-OE2 3.19Å; R173-I223 HydrophobicContact CB-CD1 4.47Å; R173-I223 HydrophobicContact CG-CD1 3.9Å |
| 174 | T | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.8 | -44.5 | 174.2 | -70.1 | 0 | 0 | 0 | 0 | 110.9 | V135 R138 P139 Q170 L171 V172 S176 C177 F178 | V135-T174 PolarHBondContact O-OG1 3.49Å; R138-T174 WeakPolarHBondContact CD-OG1 3.47Å; R138-T174 PolarHBondContact NH1-OG1 3.43Å; R138-T174 VanDerWaalsContact NH1-OG1 3.14Å; P139-T174 HydrophobicContact CG-CG2 3.86Å; Q170-T174 WeakPolarHBondContact O-CB 3.38Å; Q170-T174 PolarHBondContact O-N 3.06Å; Q170-T174 PolarHBondContact O-OG1 3.35Å; Q170-T174 VanDerWaalsContact O-OG1 3.07Å; L171-T174 WeakPolarHBondContact O-CB 3.43Å; L171-T174 PolarHBondContact O-N 3.23Å; L171-T174 VanDerWaalsContact O-N 3.14Å; V172-T174 PolarHBondContact O-N 3.4Å; T174-S176 PolarHBondContact O-N 3.43Å; T174-C177 PolarHBondContact O-N 3.23Å; T174-F178 HydrophobicContact CG2-CD1 4.48Å; T174-F178 HydrophobicContact CG2-CE1 3.61Å; T174-F178 HydrophobicContact CG2-CZ 4.05Å; T174-F178 VanDerWaalsContact O-CD1 3.29Å; T174-F178 WeakPolarHBondContact O-CD1 3.29Å; T174-F178 PolarHBondContact O-N 3.18Å |
| 175 | I | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.4 | -37 | 174.3 | -63.8 | 164.2 | 0 | 0 | 0 | 110.7 | L171 V172 C177 F178 V198 A236 L237 L240 | L171-I175 HydrophobicContact CG-CD1 4.41Å; L171-I175 VanDerWaalsContact O-CG1 3.32Å; L171-I175 WeakPolarHBondContact O-CG1 3.39Å; L171-I175 PolarHBondContact O-N 2.83Å; V172-I175 PolarHBondContact O-N 3.48Å; I175-C177 PolarHBondContact O-N 2.92Å; I175-F178 HydrophobicContact CB-CD2 4.21Å; I175-F178 HydrophobicContact CB-CE2 4.18Å; I175-F178 HydrophobicContact CG1-CD2 4.28Å; I175-F178 HydrophobicContact CG1-CE2 3.75Å; I175-F178 HydrophobicContact CG1-CZ 4.23Å; I175-F178 HydrophobicContact CG2-CD2 4.12Å; I175-F178 HydrophobicContact CG2-CE2 4.39Å; I175-F178 WeakPolarHBondContact O-CB 3.44Å; I175-F178 PolarHBondContact O-N 3.46Å; I175-F178 VanDerWaalsContact O-N 3.13Å; I175-V198 HydrophobicContact CD1-CG1 3.89Å; I175-V198 HydrophobicContact CG1-CG1 3.93Å; I175-A236 HydrophobicContact CG2-CB 3.95Å; I175-L237 HydrophobicContact CB-CD2 4.33Å; I175-L237 HydrophobicContact CG2-CD2 4.06Å; I175-L240 HydrophobicContact CD1-CD1 3.98Å; I175-L240 HydrophobicContact CD1-CD2 3.81Å; I175-L240 HydrophobicContact CD1-CG 4.21Å |
| 176 | S | 95.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15 | 176 | 68.6 | 0 | 0 | 0 | 0 | 114.4 | V172 R173 T174 P233 S234 | V172-S176 PolarHBondContact O-N 3.31Å; R173-S176 WeakPolarHBondContact CA-OG 3.39Å; R173-S176 PolarHBondContact O-OG 3.36Å; T174-S176 PolarHBondContact O-N 3.43Å; S176-P233 WeakPolarHBondContact O-CA 3.38Å; S176-S234 WeakPolarHBondContact O-CB 3.46Å; S176-S234 PolarHBondContact O-N 2.89Å |
| 177 | C | 94.8 | Very high | 92.2 | Very high | 49 Ų | 49 | 56.7 Ų | 56.7 | 33% | 0.331 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -2.4 | 174.7 | -63.8 | 0 | 0 | 0 | 0 | 113.2 | R173 T174 I175 Q179 | R173-C177 PolarHBondContact O-SG 2.92Å; R173-C177 VanDerWaalsContact O-SG 3.36Å; T174-C177 PolarHBondContact O-N 3.23Å; I175-C177 PolarHBondContact O-N 2.92Å; C177-Q179 PolarHBondContact O-N 3.12Å |
| 178 | F | 95.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | trans | -66.9 | 125 | -176.9 | -73.5 | -12.8 | 0 | 0 | 0 | 112.4 | P139 P141 C144 T174 I175 Y191 V195 V198 S234 A236 | P139-F178 WeakPolarHBondContact O-CE1 3.3Å; P141-F178 HydrophobicContact CB-CD1 4.36Å; P141-F178 HydrophobicContact CB-CE1 4.42Å; P141-F178 HydrophobicContact CB-CG 4.39Å; P141-F178 HydrophobicContact CG-CB 4.06Å; P141-F178 HydrophobicContact CG-CD1 3.73Å; P141-F178 HydrophobicContact CG-CD2 4.4Å; P141-F178 HydrophobicContact CG-CE1 4.2Å; P141-F178 HydrophobicContact CG-CG 3.83Å; C144-F178 HydrophobicContact CB-CE1 4.25Å; C144-F178 HydrophobicContact CB-CZ 3.79Å; T174-F178 HydrophobicContact CG2-CD1 4.48Å; T174-F178 HydrophobicContact CG2-CE1 3.61Å; T174-F178 HydrophobicContact CG2-CZ 4.05Å; T174-F178 VanDerWaalsContact O-CD1 3.29Å; T174-F178 WeakPolarHBondContact O-CD1 3.29Å; T174-F178 PolarHBondContact O-N 3.18Å; I175-F178 HydrophobicContact CB-CD2 4.21Å; I175-F178 HydrophobicContact CB-CE2 4.18Å; I175-F178 HydrophobicContact CG1-CD2 4.28Å; I175-F178 HydrophobicContact CG1-CE2 3.75Å; I175-F178 HydrophobicContact CG1-CZ 4.23Å; I175-F178 HydrophobicContact CG2-CD2 4.12Å; I175-F178 HydrophobicContact CG2-CE2 4.39Å; I175-F178 WeakPolarHBondContact O-CB 3.44Å; I175-F178 PolarHBondContact O-N 3.46Å; I175-F178 VanDerWaalsContact O-N 3.13Å; F178-Y191 HydrophobicContact CB-CE2 4.13Å; F178-Y191 PolarHBondContact O-OH 3.42Å; F178-V195 HydrophobicContact CD2-CG1 4.45Å; F178-V195 HydrophobicContact CD2-CG2 3.7Å; F178-V195 HydrophobicContact CE2-CG2 4.2Å; F178-V198 HydrophobicContact CE2-CB 4.48Å; F178-V198 HydrophobicContact CE2-CG1 4.49Å; F178-V198 HydrophobicContact CE2-CG2 4.28Å; F178-V198 HydrophobicContact CZ-CG2 4.33Å; F178-S234 WeakPolarHBondContact O-CB 3.33Å; F178-S234 PolarHBondContact O-OG 3.24Å; F178-A236 HydrophobicContact CB-CB 4.15Å; F178-A236 HydrophobicContact CD2-CB 4.32Å | ||
| 179 | Q | 89.6 | Confident | 91.7 | Very high | 143 Ų | 143 | 67.7 Ų | 67.7 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | trans | -130.1 | 153.3 | 177.1 | -65.1 | 176.4 | 0.7 | 0 | 0 | 109.7 | C177 | C177-Q179 PolarHBondContact O-N 3.12Š| ||
| 180 | C | 87.1 | Confident | 91.5 | Very high | 44 Ų | 44 | 70.3 Ų | 70.3 | 30% | 0.297 | 35% | 0.351 | S | S | . | . | trans | -131.9 | 110.3 | 173.6 | -171.5 | 0 | 0 | 0 | 0 | 107.7 | A182 L188 Y191 | C180-A182 VanDerWaalsContact C-N 3.25Å; C180-L188 HydrophobicContact CB-CD2 4.5Å; C180-Y191 HydrophobicContact CB-CD1 3.76Å; C180-Y191 HydrophobicContact CB-CD2 3.81Å; C180-Y191 HydrophobicContact CB-CE1 4.02Å; C180-Y191 HydrophobicContact CB-CE2 4.07Å; C180-Y191 HydrophobicContact CB-CG 3.64Å | ||
| 181 | C | 81.1 | Confident | 91.5 | Very high | 130 Ų | 130 | 70.4 Ų | 70.4 | 88% | 0.878 | 35% | 0.351 | S | S | * | . | trans | -85.8 | -0.3 | 178.5 | -59.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 182 | A | 81.4 | Confident | 91.3 | Very high | 22 Ų | 22 | 71.3 Ų | 71.3 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | trans | -71.3 | 138.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C180 E187 | C180-A182 VanDerWaalsContact C-N 3.25Å; A182-E187 HydrophobicContact CB-CB 3.48Å; A182-E187 VanDerWaalsContact CB-CB 3.48Å; A182-E187 HydrophobicContact CB-CG 4.33Å; A182-E187 WeakPolarHBondContact CB-OE2 3.32Å | ||
| 183 | S | 80.2 | Confident | 91.2 | Very high | 118 Ų | 118 | 72.9 Ų | 72.9 | 83% | 0.825 | 37% | 0.373 | S | S | * | . | trans | -100 | -12.3 | 168.5 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 184 | E | 90.3 | Very high | 91.2 | Very high | 118 Ų | 118 | 70.4 Ų | 70.4 | 55% | 0.551 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -77.6 | 134.3 | 179.8 | -65 | -165 | 178.8 | 0 | 0 | 112.1 | R186 E187 L188 | E184-R186 PolarHBondContact O-N 2.88Å; E184-E187 HydrophobicContact CB-CB 4.49Å; E184-E187 HydrophobicContact CB-CG 4.27Å; E184-E187 PolarHBondContact O-N 3.36Å; E184-L188 PolarHBondContact O-N 3.34Å; E184-L188 VanDerWaalsContact O-N 3.08Å |
| 185 | E | 88.8 | Confident | 91.2 | Very high | 124 Ų | 124 | 70.4 Ų | 70.4 | 58% | 0.579 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.3 | -35.8 | -179 | -168.2 | -174.3 | -174 | 0 | 0 | 112.5 | L188 R189 | E185-L188 PolarHBondContact O-N 3.45Å; E185-R189 VanDerWaalsContact CD-CZ 3.41Å; E185-R189 WeakPolarHBondContact O-CG 3.4Å; E185-R189 PolarHBondContact O-N 3.19Å; E185-R189 IonicContact OE1-CZ 3.19Å; E185-R189 VanDerWaalsContact OE1-CZ 3.25Å; E185-R189 IonicContact OE1-NE 2.61Å; E185-R189 PolarHBondContact OE1-NE 2.98Å; E185-R189 IonicContact OE1-NH2 2.79Å; E185-R189 PolarHBondContact OE1-NH2 3Å; E185-R189 IonicContact OE2-CZ 2.97Å; E185-R189 IonicContact OE2-NH2 2.69Å; E185-R189 PolarHBondContact OE2-NH2 2.8Å |
| 186 | R | 91.1 | Very high | 91.1 | Very high | 191 Ų | 191 | 72.7 Ų | 72.7 | 72% | 0.721 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.7 | -47.1 | 179 | -178.1 | -178.5 | 175.8 | -174.9 | -2.2 | 111.5 | E184 R189 E190 | E184-R186 PolarHBondContact O-N 2.88Å; R186-R189 PolarHBondContact O-N 3.04Å; R186-E190 PolarHBondContact O-N 2.93Å |
| 187 | E | 89.9 | Confident | 91.1 | Very high | 93 Ų | 93 | 77.5 Ų | 77.5 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.2 | -37.8 | -179 | -64.6 | -176.3 | 165.9 | 0 | 0 | 111.1 | A182 E184 E190 Y191 | A182-E187 HydrophobicContact CB-CB 3.48Å; A182-E187 VanDerWaalsContact CB-CB 3.48Å; A182-E187 HydrophobicContact CB-CG 4.33Å; A182-E187 WeakPolarHBondContact CB-OE2 3.32Å; E184-E187 HydrophobicContact CB-CB 4.49Å; E184-E187 HydrophobicContact CB-CG 4.27Å; E184-E187 PolarHBondContact O-N 3.36Å; E187-E190 PolarHBondContact O-N 3.27Å; E187-Y191 WeakPolarHBondContact O-CB 3.15Å; E187-Y191 PolarHBondContact O-N 3.21Å |
| 188 | L | 90 | Very high | 91.2 | Very high | 74 Ų | 74 | 75.1 Ų | 75.1 | 39% | 0.387 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 173.1 | -71.3 | 171.2 | 0 | 0 | 0 | 112.2 | C180 E184 E185 E190 Y191 V192 | C180-L188 HydrophobicContact CB-CD2 4.5Å; E184-L188 PolarHBondContact O-N 3.34Å; E184-L188 VanDerWaalsContact O-N 3.08Å; E185-L188 PolarHBondContact O-N 3.45Å; L188-E190 VanDerWaalsContact C-N 3.3Å; L188-E190 PolarHBondContact O-N 3.49Å; L188-Y191 PolarHBondContact O-N 3.39Å; L188-V192 WeakPolarHBondContact O-CG2 3.43Å; L188-V192 PolarHBondContact O-N 2.7Å |
| 189 | R | 92.3 | Very high | 91.2 | Very high | 156 Ų | 156 | 75.2 Ų | 75.2 | 59% | 0.589 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.5 | -39.7 | 174.3 | -72.5 | -179.7 | -164.2 | 148.1 | -5.5 | 111.3 | E185 R186 V192 G193 | E185-R189 VanDerWaalsContact CD-CZ 3.41Å; E185-R189 WeakPolarHBondContact O-CG 3.4Å; E185-R189 PolarHBondContact O-N 3.19Å; E185-R189 IonicContact OE1-CZ 3.19Å; E185-R189 VanDerWaalsContact OE1-CZ 3.25Å; E185-R189 IonicContact OE1-NE 2.61Å; E185-R189 PolarHBondContact OE1-NE 2.98Å; E185-R189 IonicContact OE1-NH2 2.79Å; E185-R189 PolarHBondContact OE1-NH2 3Å; E185-R189 IonicContact OE2-CZ 2.97Å; E185-R189 IonicContact OE2-NH2 2.69Å; E185-R189 PolarHBondContact OE2-NH2 2.8Å; R186-R189 PolarHBondContact O-N 3.04Å; R189-V192 PolarHBondContact O-N 3.49Å; R189-G193 PolarHBondContact O-N 2.69Å |
| 190 | E | 93.9 | Very high | 91.5 | Very high | 102 Ų | 102 | 71.1 Ų | 71.1 | 48% | 0.477 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 176.7 | -166.7 | 177 | 168.2 | 0 | 0 | 111.3 | R186 E187 L188 V192 G193 Q194 | R186-E190 PolarHBondContact O-N 2.93Å; E187-E190 PolarHBondContact O-N 3.27Å; L188-E190 VanDerWaalsContact C-N 3.3Å; L188-E190 PolarHBondContact O-N 3.49Å; E190-V192 PolarHBondContact O-N 3.08Å; E190-G193 CarbonylContact O-C 3.56Å; E190-G193 WeakPolarHBondContact O-CA 3.45Å; E190-G193 PolarHBondContact O-N 3.27Å; E190-G193 VanDerWaalsContact O-N 3.12Å; E190-Q194 HydrophobicContact CG-CG 4.43Å; E190-Q194 VanDerWaalsContact O-CG 3.26Å; E190-Q194 WeakPolarHBondContact O-CG 3.49Å; E190-Q194 PolarHBondContact O-N 3.17Å; E190-Q194 PolarHBondContact OE1-NE2 2.88Å |
| 191 | Y | 95.2 | Very high | 91.9 | Very high | 23 Ų | 23 | 69 Ų | 69 | 9% | 0.09 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.1 | -49.1 | 174.6 | 169.2 | -107.9 | 0 | 0 | 0 | 111.9 | P141 F178 C180 E187 L188 G193 Q194 V195 W280 | P141-Y191 HydrophobicContact CB-CD2 4.07Å; P141-Y191 HydrophobicContact CB-CE2 4.18Å; P141-Y191 HydrophobicContact CG-CD2 3.95Å; P141-Y191 HydrophobicContact CG-CE2 3.73Å; F178-Y191 HydrophobicContact CB-CE2 4.13Å; F178-Y191 PolarHBondContact O-OH 3.42Å; C180-Y191 HydrophobicContact CB-CD1 3.76Å; C180-Y191 HydrophobicContact CB-CD2 3.81Å; C180-Y191 HydrophobicContact CB-CE1 4.02Å; C180-Y191 HydrophobicContact CB-CE2 4.07Å; C180-Y191 HydrophobicContact CB-CG 3.64Å; E187-Y191 WeakPolarHBondContact O-CB 3.15Å; E187-Y191 PolarHBondContact O-N 3.21Å; L188-Y191 PolarHBondContact O-N 3.39Å; Y191-G193 VanDerWaalsContact C-N 3.29Å; Y191-G193 PolarHBondContact O-N 3.44Å; Y191-Q194 WeakPolarHBondContact O-CB 3.27Å; Y191-Q194 PolarHBondContact O-N 3.44Å; Y191-Q194 VanDerWaalsContact O-N 3.16Å; Y191-V195 HydrophobicContact CD2-CG2 4.11Å; Y191-V195 HydrophobicContact CE1-CG2 4.33Å; Y191-V195 HydrophobicContact CE2-CG2 3.71Å; Y191-V195 WeakPolarHBondContact O-CG2 3.48Å; Y191-V195 PolarHBondContact O-N 2.79Å; Y191-W280 HydrophobicContact CE1-CH2 4.19Å; Y191-W280 AromaticContact CE1-CZ3 3.81Å; Y191-W280 HydrophobicContact CE1-CZ3 3.81Å |
| 192 | V | 94.3 | Very high | 92.6 | Very high | 22 Ų | 22 | 62.9 Ų | 62.9 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 176.3 | 174 | 0 | 0 | 0 | 0 | 110.9 | L188 R189 E190 T196 W280 P281 L282 | L188-V192 WeakPolarHBondContact O-CG2 3.43Å; L188-V192 PolarHBondContact O-N 2.7Å; R189-V192 PolarHBondContact O-N 3.49Å; E190-V192 PolarHBondContact O-N 3.08Å; V192-T196 VanDerWaalsContact O-CB 3.31Å; V192-T196 WeakPolarHBondContact O-CB 3.43Å; V192-T196 PolarHBondContact O-N 3.46Å; V192-T196 PolarHBondContact O-OG1 3.22Å; V192-W280 HydrophobicContact CB-CH2 4.48Å; V192-W280 HydrophobicContact CG1-CH2 4.49Å; V192-W280 HydrophobicContact CG1-CZ2 4.12Å; V192-W280 HydrophobicContact CG2-CH2 4.16Å; V192-P281 HydrophobicContact CG2-CB 4.38Å; V192-P281 HydrophobicContact CG2-CG 3.87Å; V192-L282 HydrophobicContact CG1-CD1 3.81Å; V192-L282 HydrophobicContact CG1-CG 4.14Å |
| 193 | G | 95.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 63.1 Ų | 63.1 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | R189 E190 Y191 T196 K197 | R189-G193 PolarHBondContact O-N 2.69Å; E190-G193 CarbonylContact O-C 3.56Å; E190-G193 WeakPolarHBondContact O-CA 3.45Å; E190-G193 PolarHBondContact O-N 3.27Å; E190-G193 VanDerWaalsContact O-N 3.12Å; Y191-G193 VanDerWaalsContact C-N 3.29Å; Y191-G193 PolarHBondContact O-N 3.44Å; G193-T196 PolarHBondContact O-N 3.5Å; G193-K197 WeakPolarHBondContact O-CG 3.45Å; G193-K197 PolarHBondContact O-N 3.14Å |
| 194 | Q | 95.8 | Very high | 93.8 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 15% | 0.15 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -52.2 | 176.4 | -70.8 | 167.7 | 5.3 | 0 | 0 | 111 | P141 A145 E190 Y191 T196 K197 V198 | P141-Q194 HydrophobicContact CB-CB 4.34Å; A145-Q194 HydrophobicContact CB-CB 3.77Å; A145-Q194 HydrophobicContact CB-CG 3.96Å; E190-Q194 HydrophobicContact CG-CG 4.43Å; E190-Q194 VanDerWaalsContact O-CG 3.26Å; E190-Q194 WeakPolarHBondContact O-CG 3.49Å; E190-Q194 PolarHBondContact O-N 3.17Å; E190-Q194 PolarHBondContact OE1-NE2 2.88Å; Y191-Q194 WeakPolarHBondContact O-CB 3.27Å; Y191-Q194 PolarHBondContact O-N 3.44Å; Y191-Q194 VanDerWaalsContact O-N 3.16Å; Q194-T196 VanDerWaalsContact C-N 3.29Å; Q194-T196 PolarHBondContact O-N 2.98Å; Q194-K197 WeakPolarHBondContact O-CB 3.48Å; Q194-K197 PolarHBondContact O-N 3.03Å; Q194-V198 WeakPolarHBondContact O-CG2 3.38Å; Q194-V198 PolarHBondContact O-N 3.48Å |
| 195 | V | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 177.9 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | F178 Y191 K197 V198 S199 A236 W280 | F178-V195 HydrophobicContact CD2-CG1 4.45Å; F178-V195 HydrophobicContact CD2-CG2 3.7Å; F178-V195 HydrophobicContact CE2-CG2 4.2Å; Y191-V195 HydrophobicContact CD2-CG2 4.11Å; Y191-V195 HydrophobicContact CE1-CG2 4.33Å; Y191-V195 HydrophobicContact CE2-CG2 3.71Å; Y191-V195 WeakPolarHBondContact O-CG2 3.48Å; Y191-V195 PolarHBondContact O-N 2.79Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 2.91Å; V195-V198 PolarHBondContact O-N 2.77Å; V195-V198 VanDerWaalsContact O-N 3.16Å; V195-S199 PolarHBondContact O-N 3.37Å; V195-A236 HydrophobicContact CG1-CB 3.9Å; V195-A236 HydrophobicContact CG2-CB 4.32Å; V195-W280 HydrophobicContact CB-CH2 3.69Å; V195-W280 HydrophobicContact CB-CZ2 4.06Å; V195-W280 HydrophobicContact CG1-CH2 3.63Å; V195-W280 HydrophobicContact CG1-CZ2 3.78Å; V195-W280 HydrophobicContact CG2-CH2 3.97Å |
| 196 | T | 95.1 | Very high | 94.2 | Very high | 47 Ų | 47 | 49.9 Ų | 49.9 | 29% | 0.288 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.3 | -38.5 | 178.9 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | V192 G193 Q194 S199 T200 | V192-T196 VanDerWaalsContact O-CB 3.31Å; V192-T196 WeakPolarHBondContact O-CB 3.43Å; V192-T196 PolarHBondContact O-N 3.46Å; V192-T196 PolarHBondContact O-OG1 3.22Å; G193-T196 PolarHBondContact O-N 3.5Å; Q194-T196 VanDerWaalsContact C-N 3.29Å; Q194-T196 PolarHBondContact O-N 2.98Å; T196-S199 PolarHBondContact O-N 3.1Å; T196-T200 WeakPolarHBondContact O-CB 2.93Å; T196-T200 PolarHBondContact O-N 3.08Å; T196-T200 PolarHBondContact O-OG1 3.22Å |
| 197 | K | 95.6 | Very high | 94.2 | Very high | 103 Ų | 103 | 48.2 Ų | 48.2 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.1 | -72.3 | 176.7 | 177.1 | -174 | 0 | 111.8 | A145 G193 Q194 V195 T200 L201 | A145-K197 HydrophobicContact CB-CB 4.41Å; A145-K197 HydrophobicContact CB-CD 4.28Å; G193-K197 WeakPolarHBondContact O-CG 3.45Å; G193-K197 PolarHBondContact O-N 3.14Å; Q194-K197 WeakPolarHBondContact O-CB 3.48Å; Q194-K197 PolarHBondContact O-N 3.03Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 2.91Å; K197-T200 PolarHBondContact O-N 3.22Å; K197-L201 PolarHBondContact O-N 3.36Å |
| 198 | V | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -45.1 | 178.4 | -174 | 0 | 0 | 0 | 0 | 111.2 | C144 S148 L171 I175 F178 Q194 V195 T200 L201 L202 | C144-V198 HydrophobicContact CB-CG2 3.95Å; S148-V198 WeakPolarHBondContact OG-CA 3.31Å; L171-V198 HydrophobicContact CD1-CG1 3.75Å; L171-V198 HydrophobicContact CD2-CG1 4.19Å; L171-V198 HydrophobicContact CG-CG1 4.09Å; I175-V198 HydrophobicContact CD1-CG1 3.89Å; I175-V198 HydrophobicContact CG1-CG1 3.93Å; F178-V198 HydrophobicContact CE2-CB 4.48Å; F178-V198 HydrophobicContact CE2-CG1 4.49Å; F178-V198 HydrophobicContact CE2-CG2 4.28Å; F178-V198 HydrophobicContact CZ-CG2 4.33Å; Q194-V198 WeakPolarHBondContact O-CG2 3.38Å; Q194-V198 PolarHBondContact O-N 3.48Å; V195-V198 PolarHBondContact O-N 2.77Å; V195-V198 VanDerWaalsContact O-N 3.16Å; V198-T200 VanDerWaalsContact C-N 3.33Å; V198-T200 PolarHBondContact O-N 2.9Å; V198-L201 WeakPolarHBondContact O-CB 3.36Å; V198-L201 PolarHBondContact O-N 3.12Å; V198-L202 PolarHBondContact O-N 3.2Å; V198-L202 VanDerWaalsContact O-N 3.12Å |
| 199 | S | 95.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 175.3 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | V195 T196 L201 L202 Q203 S239 | V195-S199 PolarHBondContact O-N 3.37Å; T196-S199 PolarHBondContact O-N 3.1Å; S199-L201 PolarHBondContact O-N 3.23Å; S199-L202 PolarHBondContact O-N 2.88Å; S199-Q203 VanDerWaalsContact O-CG 3.32Å; S199-Q203 WeakPolarHBondContact O-CG 3.33Å; S199-Q203 PolarHBondContact O-N 3.17Å; S199-Q203 PolarHBondContact OG-NE2 2.9Å; S199-S239 PolarHBondContact OG-O 3.21Å |
| 200 | T | 95.2 | Very high | 94.3 | Very high | 57 Ų | 57 | 44.2 Ų | 44.2 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.4 | -41 | 179.1 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | T196 K197 V198 Q203 N204 | T196-T200 WeakPolarHBondContact O-CB 2.93Å; T196-T200 PolarHBondContact O-N 3.08Å; T196-T200 PolarHBondContact O-OG1 3.22Å; K197-T200 PolarHBondContact O-N 3.22Å; V198-T200 VanDerWaalsContact C-N 3.33Å; V198-T200 PolarHBondContact O-N 2.9Å; T200-Q203 PolarHBondContact O-N 3.29Å; T200-N204 WeakPolarHBondContact O-CB 3.42Å; T200-N204 PolarHBondContact O-N 2.9Å; T200-N204 PolarHBondContact O-ND2 3.18Å |
| 201 | L | 95.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.6 | -52.1 | 172.2 | 175.3 | 76.1 | 0 | 0 | 0 | 110.4 | L151 M155 I158 L171 K197 V198 S199 Q203 N204 I205 | L151-L201 HydrophobicContact CB-CD1 3.72Å; L151-L201 HydrophobicContact CB-CD2 4.22Å; L151-L201 HydrophobicContact CD1-CD2 3.84Å; M155-L201 HydrophobicContact CE-CD1 4.14Å; I158-L201 HydrophobicContact CD1-CD1 4.17Å; L171-L201 HydrophobicContact CD2-CD2 4.19Å; K197-L201 PolarHBondContact O-N 3.36Å; V198-L201 WeakPolarHBondContact O-CB 3.36Å; V198-L201 PolarHBondContact O-N 3.12Å; S199-L201 PolarHBondContact O-N 3.23Å; L201-Q203 VanDerWaalsContact C-N 3.29Å; L201-Q203 PolarHBondContact O-N 2.72Å; L201-N204 WeakPolarHBondContact O-CB 3.41Å; L201-N204 PolarHBondContact O-N 3.07Å; L201-I205 HydrophobicContact CD1-CD1 4.44Å; L201-I205 HydrophobicContact CD2-CD1 4.37Å; L201-I205 HydrophobicContact CG-CD1 4Å; L201-I205 WeakPolarHBondContact O-CG1 3.28Å; L201-I205 PolarHBondContact O-N 2.98Å |
| 202 | L | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | -176.7 | -172.4 | 60.5 | 0 | 0 | 0 | 111.7 | C168 L171 V172 V198 S199 N204 I205 W206 L240 | C168-L202 HydrophobicContact CB-CD1 3.76Å; L171-L202 HydrophobicContact CD2-CB 4.26Å; L171-L202 HydrophobicContact CD2-CD1 4.27Å; V172-L202 HydrophobicContact CG2-CD2 3.68Å; V198-L202 PolarHBondContact O-N 3.2Å; V198-L202 VanDerWaalsContact O-N 3.12Å; S199-L202 PolarHBondContact O-N 2.88Å; L202-N204 PolarHBondContact O-N 2.83Å; L202-I205 WeakPolarHBondContact O-CB 3.49Å; L202-I205 PolarHBondContact O-N 3Å; L202-W206 HydrophobicContact CD1-CZ2 4.33Å; L202-W206 HydrophobicContact CD2-CH2 4.02Å; L202-W206 HydrophobicContact CD2-CZ2 3.43Å; L202-W206 VanDerWaalsContact CD2-CZ2 3.43Å; L202-W206 HydrophobicContact CG-CD2 4.29Å; L202-W206 HydrophobicContact CG-CH2 4.2Å; L202-W206 HydrophobicContact CG-CZ2 3.53Å; L202-W206 VanDerWaalsContact O-CG 3.25Å; L202-W206 PolarHBondContact O-N 2.97Å; L202-L240 HydrophobicContact CB-CD2 4.47Å; L202-L240 HydrophobicContact CD2-CD1 4.11Å; L202-L240 HydrophobicContact CD2-CD2 3.74Å |
| 203 | Q | 93.1 | Very high | 93.9 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 173.1 | -69.7 | 174.6 | 18.4 | 0 | 0 | 112.8 | S199 T200 L201 I205 W206 K207 | S199-Q203 VanDerWaalsContact O-CG 3.32Å; S199-Q203 WeakPolarHBondContact O-CG 3.33Å; S199-Q203 PolarHBondContact O-N 3.17Å; S199-Q203 PolarHBondContact OG-NE2 2.9Å; T200-Q203 PolarHBondContact O-N 3.29Å; L201-Q203 VanDerWaalsContact C-N 3.29Å; L201-Q203 PolarHBondContact O-N 2.72Å; Q203-I205 VanDerWaalsContact C-N 3.33Å; Q203-W206 HydrophobicContact CB-CE3 4.41Å; Q203-W206 HydrophobicContact CG-CE3 4.02Å; Q203-W206 HydrophobicContact CG-CZ3 3.96Å; Q203-W206 PolarHBondContact O-N 3.19Å; Q203-K207 WeakPolarHBondContact O-CG 3.46Å; Q203-K207 PolarHBondContact O-N 3.16Å |
| 204 | N | 93.6 | Very high | 93.7 | Very high | 60 Ų | 60 | 43.9 Ų | 43.9 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66 | -37.8 | 175.2 | -69.9 | -19.8 | 0 | 0 | 0 | 111.2 | T200 L201 L202 K207 A208 | T200-N204 WeakPolarHBondContact O-CB 3.42Å; T200-N204 PolarHBondContact O-N 2.9Å; T200-N204 PolarHBondContact O-ND2 3.18Å; L201-N204 WeakPolarHBondContact O-CB 3.41Å; L201-N204 PolarHBondContact O-N 3.07Å; L202-N204 PolarHBondContact O-N 2.83Å; N204-K207 PolarHBondContact O-N 3Å; N204-A208 WeakPolarHBondContact O-CB 3.38Å; N204-A208 PolarHBondContact O-N 3.02Å |
| 205 | I | 94.2 | Very high | 93.6 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -46.2 | 173.2 | -63.2 | 168 | 0 | 0 | 0 | 110.5 | I158 F167 L201 L202 Q203 K207 A208 E209 | I158-I205 HydrophobicContact CD1-CD1 3.95Å; I158-I205 HydrophobicContact CD1-CG1 3.81Å; I158-I205 HydrophobicContact CG2-CD1 4.13Å; I158-I205 HydrophobicContact CG2-CG1 4.48Å; F167-I205 HydrophobicContact CD1-CD1 4.19Å; F167-I205 HydrophobicContact CE1-CD1 3.76Å; L201-I205 HydrophobicContact CD1-CD1 4.44Å; L201-I205 HydrophobicContact CD2-CD1 4.37Å; L201-I205 HydrophobicContact CG-CD1 4Å; L201-I205 WeakPolarHBondContact O-CG1 3.28Å; L201-I205 PolarHBondContact O-N 2.98Å; L202-I205 WeakPolarHBondContact O-CB 3.49Å; L202-I205 PolarHBondContact O-N 3Å; Q203-I205 VanDerWaalsContact C-N 3.33Å; I205-K207 PolarHBondContact O-N 3.4Å; I205-A208 PolarHBondContact O-N 3.17Å; I205-A208 VanDerWaalsContact O-N 3.11Å; I205-E209 PolarHBondContact O-N 2.85Å |
| 206 | W | 93.2 | Very high | 93.5 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 6% | 0.057 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.2 | -34.3 | 176.8 | -63.5 | -22.2 | 0 | 0 | 0 | 113.1 | L202 Q203 E209 P210 L213 S216 L217 L240 I244 | L202-W206 HydrophobicContact CD1-CZ2 4.33Å; L202-W206 HydrophobicContact CD2-CH2 4.02Å; L202-W206 HydrophobicContact CD2-CZ2 3.43Å; L202-W206 VanDerWaalsContact CD2-CZ2 3.43Å; L202-W206 HydrophobicContact CG-CD2 4.29Å; L202-W206 HydrophobicContact CG-CH2 4.2Å; L202-W206 HydrophobicContact CG-CZ2 3.53Å; L202-W206 VanDerWaalsContact O-CG 3.25Å; L202-W206 PolarHBondContact O-N 2.97Å; Q203-W206 HydrophobicContact CB-CE3 4.41Å; Q203-W206 HydrophobicContact CG-CE3 4.02Å; Q203-W206 HydrophobicContact CG-CZ3 3.96Å; Q203-W206 PolarHBondContact O-N 3.19Å; W206-E209 CarbonylContact O-C 3.55Å; W206-P210 VanDerWaalsContact O-CA 3.3Å; W206-P210 WeakPolarHBondContact O-CA 3.43Å; W206-L213 HydrophobicContact CB-CB 4.26Å; W206-L213 HydrophobicContact CB-CD1 4.09Å; W206-L213 HydrophobicContact CD2-CD1 3.46Å; W206-L213 VanDerWaalsContact CD2-CD1 3.46Å; W206-L213 HydrophobicContact CE3-CD1 3.6Å; W206-L213 HydrophobicContact CG-CB 4.15Å; W206-L213 HydrophobicContact CG-CD1 3.71Å; W206-L213 HydrophobicContact CZ2-CD1 4.47Å; W206-L213 HydrophobicContact CZ3-CD1 4.19Å; W206-S216 PolarHBondContact NE1-OG 3.18Å; W206-L217 HydrophobicContact CH2-CD2 4.31Å; W206-L240 HydrophobicContact CH2-CB 4.18Å; W206-L240 HydrophobicContact CH2-CD2 4.42Å; W206-I244 HydrophobicContact CE3-CD1 4.22Å; W206-I244 HydrophobicContact CH2-CD1 4.44Å; W206-I244 HydrophobicContact CZ3-CD1 3.74Å |
| 207 | K | 91.9 | Very high | 93.4 | Very high | 156 Ų | 156 | 41.3 Ų | 41.3 | 68% | 0.678 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -70.7 | -39.7 | 174.5 | -72.6 | 172.5 | -175.8 | 172.1 | 0 | 112.1 | Q203 N204 I205 | Q203-K207 WeakPolarHBondContact O-CG 3.46Å; Q203-K207 PolarHBondContact O-N 3.16Å; N204-K207 PolarHBondContact O-N 3Å; I205-K207 PolarHBondContact O-N 3.4Å |
| 208 | A | 91.9 | Very high | 93.2 | Very high | 82 Ų | 82 | 41.2 Ų | 41.2 | 68% | 0.678 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -74.7 | -39.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N204 I205 | N204-A208 WeakPolarHBondContact O-CB 3.38Å; N204-A208 PolarHBondContact O-N 3.02Å; I205-A208 PolarHBondContact O-N 3.17Å; I205-A208 VanDerWaalsContact O-N 3.11Å |
| 209 | E | 91.7 | Very high | 93.1 | Very high | 63 Ų | 63 | 42.3 Ų | 42.3 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | trans | -131.4 | 82.9 | -179.1 | -167.3 | 175.2 | -178.9 | 0 | 0 | 110.4 | I205 W206 A211 T212 | I205-E209 PolarHBondContact O-N 2.85Å; W206-E209 CarbonylContact O-C 3.55Å; E209-A211 PolarHBondContact O-N 3.14Å; E209-T212 HydrophobicContact CB-CG2 4.18Å; E209-T212 HydrophobicContact CG-CG2 3.98Å; E209-T212 PolarHBondContact O-N 3Å; E209-T212 PolarHBondContact O-OG1 3.22Å | ||
| 210 | P | 90.3 | Very high | 93.1 | Very high | 94 Ų | 94 | 42.1 Ų | 42.1 | 61% | 0.61 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -57.3 | -22.7 | -175.3 | -28.4 | 36.2 | 0 | 0 | 0 | 115.3 | W206 T212 L213 | W206-P210 VanDerWaalsContact O-CA 3.3Å; W206-P210 WeakPolarHBondContact O-CA 3.43Å; P210-T212 PolarHBondContact O-N 2.8Å; P210-L213 WeakPolarHBondContact O-CB 3.41Å; P210-L213 PolarHBondContact O-N 2.66Å |
| 211 | A | 90.8 | Very high | 92.9 | Very high | 71 Ų | 71 | 40.2 Ų | 40.2 | 59% | 0.587 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -61.5 | -22.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E209 P215 | E209-A211 PolarHBondContact O-N 3.14Å; A211-P215 WeakPolarHBondContact O-CD 3.3Å |
| 212 | T | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -81.5 | -18.9 | 178.7 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | V165 E209 P210 S216 | V165-T212 HydrophobicContact CG2-CG2 4.13Å; E209-T212 HydrophobicContact CB-CG2 4.18Å; E209-T212 HydrophobicContact CG-CG2 3.98Å; E209-T212 PolarHBondContact O-N 3Å; E209-T212 PolarHBondContact O-OG1 3.22Å; P210-T212 PolarHBondContact O-N 2.8Å; T212-S216 WeakPolarHBondContact O-CB 3.44Å; T212-S216 PolarHBondContact O-N 3.37Å; T212-S216 PolarHBondContact O-OG 2.96Å |
| 213 | L | 91.9 | Very high | 92.6 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -56 | -174.6 | 176.4 | 62.7 | 0 | 0 | 0 | 112.4 | W206 P210 S216 L217 I244 | W206-L213 HydrophobicContact CB-CB 4.26Å; W206-L213 HydrophobicContact CB-CD1 4.09Å; W206-L213 HydrophobicContact CD2-CD1 3.46Å; W206-L213 VanDerWaalsContact CD2-CD1 3.46Å; W206-L213 HydrophobicContact CE3-CD1 3.6Å; W206-L213 HydrophobicContact CG-CB 4.15Å; W206-L213 HydrophobicContact CG-CD1 3.71Å; W206-L213 HydrophobicContact CZ2-CD1 4.47Å; W206-L213 HydrophobicContact CZ3-CD1 4.19Å; P210-L213 WeakPolarHBondContact O-CB 3.41Å; P210-L213 PolarHBondContact O-N 2.66Å; L213-S216 WeakPolarHBondContact O-CB 3.32Å; L213-S216 PolarHBondContact O-N 2.74Å; L213-L217 HydrophobicContact CD1-CD1 3.89Å; L213-L217 HydrophobicContact CD1-CG 4.14Å; L213-L217 HydrophobicContact CG-CD1 4.14Å; L213-L217 WeakPolarHBondContact O-CG 3.26Å; L213-L217 PolarHBondContact O-N 2.8Å; L213-I244 HydrophobicContact CD1-CD1 4.04Å |
| 214 | L | 90.6 | Very high | 92.6 | Very high | 71 Ų | 71 | 41.8 Ų | 41.8 | 37% | 0.372 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -47.7 | -175.7 | 176.4 | 66.4 | 0 | 0 | 0 | 112.4 | S216 L217 Q218 M248 L252 | L214-S216 VanDerWaalsContact C-N 3.27Å; L214-S216 PolarHBondContact O-N 2.99Å; L214-L217 PolarHBondContact O-N 2.96Å; L214-Q218 HydrophobicContact CD1-CG 4.27Å; L214-Q218 HydrophobicContact CG-CG 4.47Å; L214-Q218 WeakPolarHBondContact O-CG 3.19Å; L214-Q218 PolarHBondContact O-N 3.48Å; L214-M248 HydrophobicContact CD1-SD 4.12Å; L214-L252 HydrophobicContact CD1-CD2 3.99Å |
| 215 | P | 93.2 | Very high | 92.6 | Very high | 24 Ų | 24 | 40 Ų | 40 | 16% | 0.156 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.1 | -34.6 | 175.1 | -25.4 | 35 | 0 | 0 | 0 | 113.8 | V165 A211 E219 | V165-P215 HydrophobicContact CG1-CB 3.63Å; V165-P215 HydrophobicContact CG1-CG 3.9Å; A211-P215 WeakPolarHBondContact O-CD 3.3Å; P215-E219 PolarHBondContact O-N 3Å |
| 216 | S | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.7 | -44.3 | 176.3 | -57 | 0 | 0 | 0 | 0 | 111.4 | C168 W206 T212 L213 L214 E219 V220 | C168-S216 VanDerWaalsContact CB-OG 3.23Å; C168-S216 WeakPolarHBondContact CB-OG 3.42Å; W206-S216 PolarHBondContact NE1-OG 3.18Å; T212-S216 WeakPolarHBondContact O-CB 3.44Å; T212-S216 PolarHBondContact O-N 3.37Å; T212-S216 PolarHBondContact O-OG 2.96Å; L213-S216 WeakPolarHBondContact O-CB 3.32Å; L213-S216 PolarHBondContact O-N 2.74Å; L214-S216 VanDerWaalsContact C-N 3.27Å; L214-S216 PolarHBondContact O-N 2.99Å; S216-E219 WeakPolarHBondContact O-CB 2.94Å; S216-E219 PolarHBondContact O-N 3.14Å; S216-V220 WeakPolarHBondContact O-CG2 3.47Å; S216-V220 PolarHBondContact O-N 2.79Å |
| 217 | L | 92.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 177.4 | -65.1 | 178.4 | 0 | 0 | 0 | 111.6 | W206 L213 L214 E219 V220 F221 I244 M248 L252 | W206-L217 HydrophobicContact CH2-CD2 4.31Å; L213-L217 HydrophobicContact CD1-CD1 3.89Å; L213-L217 HydrophobicContact CD1-CG 4.14Å; L213-L217 HydrophobicContact CG-CD1 4.14Å; L213-L217 WeakPolarHBondContact O-CG 3.26Å; L213-L217 PolarHBondContact O-N 2.8Å; L214-L217 PolarHBondContact O-N 2.96Å; L217-E219 PolarHBondContact O-N 3.44Å; L217-V220 WeakPolarHBondContact O-CB 3.47Å; L217-V220 PolarHBondContact O-N 3.18Å; L217-V220 VanDerWaalsContact O-N 3.13Å; L217-F221 WeakPolarHBondContact O-CD2 3.32Å; L217-F221 PolarHBondContact O-N 3.03Å; L217-I244 HydrophobicContact CD1-CD1 4.28Å; L217-I244 HydrophobicContact CD1-CG2 4Å; L217-I244 HydrophobicContact CD2-CD1 4.11Å; L217-I244 HydrophobicContact CD2-CG1 4.23Å; L217-M248 HydrophobicContact CD1-CG 3.76Å; L217-L252 HydrophobicContact CB-CD1 3.67Å; L217-L252 HydrophobicContact CB-CD2 4.43Å; L217-L252 HydrophobicContact CD1-CD1 3.69Å; L217-L252 HydrophobicContact CG-CD1 4.26Å |
| 218 | Q | 91.2 | Very high | 92.3 | Very high | 101 Ų | 101 | 38.8 Ų | 38.8 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.3 | -39.1 | 172 | -74.5 | 174.5 | -26.4 | 0 | 0 | 111.7 | L214 F221 A222 L252 | L214-Q218 HydrophobicContact CD1-CG 4.27Å; L214-Q218 HydrophobicContact CG-CG 4.47Å; L214-Q218 WeakPolarHBondContact O-CG 3.19Å; L214-Q218 PolarHBondContact O-N 3.48Å; Q218-F221 PolarHBondContact O-N 3.37Å; Q218-A222 WeakPolarHBondContact O-CB 3.32Å; Q218-A222 PolarHBondContact O-N 2.97Å; Q218-L252 HydrophobicContact CG-CD2 4.39Å |
| 219 | E | 94.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 41 Ų | 41 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 174.8 | -168.1 | 64.4 | -136.3 | 0 | 0 | 112.1 | Q169 V172 R173 P215 S216 L217 F221 A222 I223 | Q169-E219 HydrophobicContact CB-CB 4.45Å; Q169-E219 HydrophobicContact CB-CG 4.17Å; Q169-E219 HydrophobicContact CG-CB 4.23Å; Q169-E219 HydrophobicContact CG-CG 4.46Å; V172-E219 HydrophobicContact CB-CG 4.37Å; V172-E219 HydrophobicContact CG1-CB 4.26Å; V172-E219 HydrophobicContact CG1-CG 4.1Å; R173-E219 HydrophobicContact CG-CG 4.09Å; R173-E219 IonicContact CZ-OE1 3.13Å; R173-E219 VanDerWaalsContact CZ-OE1 3.28Å; R173-E219 IonicContact CZ-OE2 3.82Å; R173-E219 VanDerWaalsContact NE-CD 3.29Å; R173-E219 IonicContact NE-OE1 2.6Å; R173-E219 PolarHBondContact NE-OE1 3.41Å; R173-E219 IonicContact NE-OE2 3.37Å; R173-E219 VanDerWaalsContact NH2-CD 3.29Å; R173-E219 IonicContact NH2-OE1 3.04Å; R173-E219 PolarHBondContact NH2-OE1 3.13Å; R173-E219 IonicContact NH2-OE2 3.15Å; R173-E219 PolarHBondContact NH2-OE2 3.19Å; P215-E219 PolarHBondContact O-N 3Å; S216-E219 WeakPolarHBondContact O-CB 2.94Å; S216-E219 PolarHBondContact O-N 3.14Å; L217-E219 PolarHBondContact O-N 3.44Å; E219-F221 VanDerWaalsContact C-N 3.26Å; E219-F221 PolarHBondContact O-N 2.74Å; E219-A222 PolarHBondContact O-N 3.49Å; E219-I223 HydrophobicContact CG-CD1 4.11Å; E219-I223 WeakPolarHBondContact O-CD1 3.24Å; E219-I223 VanDerWaalsContact O-CG1 3.27Å; E219-I223 WeakPolarHBondContact O-CG1 3.34Å; E219-I223 PolarHBondContact O-N 2.65Å |
| 220 | V | 94.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55 | -45.7 | 172 | 175 | 0 | 0 | 0 | 0 | 110.4 | V172 S216 L217 I223 I224 L240 W277 | V172-V220 HydrophobicContact CG1-CB 4.42Å; V172-V220 HydrophobicContact CG1-CG2 3.53Å; V172-V220 HydrophobicContact CG2-CG2 4.33Å; S216-V220 WeakPolarHBondContact O-CG2 3.47Å; S216-V220 PolarHBondContact O-N 2.79Å; L217-V220 WeakPolarHBondContact O-CB 3.47Å; L217-V220 PolarHBondContact O-N 3.18Å; L217-V220 VanDerWaalsContact O-N 3.13Å; V220-I223 PolarHBondContact O-N 3.46Å; V220-I224 WeakPolarHBondContact O-CG1 3.44Å; V220-I224 PolarHBondContact O-N 3.41Å; V220-L240 HydrophobicContact CG2-CD1 4.07Å; V220-W277 HydrophobicContact CG1-CH2 3.87Å; V220-W277 HydrophobicContact CG1-CZ2 3.98Å |
| 221 | F | 91 | Very high | 91.5 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 178.7 | -89.7 | -97.2 | 0 | 0 | 0 | 112.9 | L217 Q218 E219 I223 I224 S225 L252 I253 L256 M274 W289 | L217-F221 WeakPolarHBondContact O-CD2 3.32Å; L217-F221 PolarHBondContact O-N 3.03Å; Q218-F221 PolarHBondContact O-N 3.37Å; E219-F221 VanDerWaalsContact C-N 3.26Å; E219-F221 PolarHBondContact O-N 2.74Å; F221-I223 VanDerWaalsContact C-N 3.26Å; F221-I223 PolarHBondContact O-N 3.2Å; F221-I224 HydrophobicContact CD1-CD1 4.44Å; F221-I224 WeakPolarHBondContact O-CG1 3.47Å; F221-I224 PolarHBondContact O-N 3.26Å; F221-S225 WeakPolarHBondContact O-CB 3.37Å; F221-S225 PolarHBondContact O-N 3.01Å; F221-S225 PolarHBondContact O-OG 2.79Å; F221-L252 HydrophobicContact CD2-CB 4.44Å; F221-L252 HydrophobicContact CD2-CD1 4.4Å; F221-L252 HydrophobicContact CE2-CB 3.82Å; F221-L252 HydrophobicContact CE2-CD1 3.89Å; F221-L252 HydrophobicContact CE2-CG 4.33Å; F221-L252 HydrophobicContact CZ-CB 3.86Å; F221-I253 HydrophobicContact CE1-CD1 3.93Å; F221-I253 HydrophobicContact CZ-CD1 3.87Å; F221-L256 HydrophobicContact CD1-CB 4.4Å; F221-L256 HydrophobicContact CD1-CD1 4.49Å; F221-L256 HydrophobicContact CD1-CD2 3.97Å; F221-L256 HydrophobicContact CE1-CB 4.42Å; F221-L256 HydrophobicContact CE1-CD2 3.9Å; F221-M274 HydrophobicContact CD1-CE 4.26Å; F221-M274 HydrophobicContact CE1-CE 3.44Å; F221-M274 VanDerWaalsContact CE1-CE 3.44Å; F221-M274 HydrophobicContact CE2-CE 4.31Å; F221-M274 HydrophobicContact CZ-CE 3.47Å; F221-M274 VanDerWaalsContact CZ-CE 3.47Å; F221-W289 HydrophobicContact CE2-CE3 4.27Å; F221-W289 HydrophobicContact CE2-CH2 4.19Å; F221-W289 AromaticContact CE2-CZ3 3.48Å; F221-W289 HydrophobicContact CE2-CZ3 3.48Å; F221-W289 VanDerWaalsContact CE2-CZ3 3.48Å; F221-W289 HydrophobicContact CZ-CE3 4.05Å; F221-W289 AromaticContact CZ-CZ3 3.6Å; F221-W289 HydrophobicContact CZ-CZ3 3.6Å |
| 222 | A | 91.1 | Very high | 91.3 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q218 E219 S225 S226 | Q218-A222 WeakPolarHBondContact O-CB 3.32Å; Q218-A222 PolarHBondContact O-N 2.97Å; E219-A222 PolarHBondContact O-N 3.49Å; A222-S225 PolarHBondContact O-OG 3.05Å; A222-S226 PolarHBondContact O-N 3.36Å |
| 223 | I | 94.4 | Very high | 91.4 | Very high | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.8 | -53.1 | 178.1 | -70.5 | 162.3 | 0 | 0 | 0 | 111.4 | V172 R173 E219 V220 F221 S225 S226 F231 P233 L237 R273 | V172-I223 HydrophobicContact CG1-CD1 3.74Å; R173-I223 HydrophobicContact CB-CD1 4.47Å; R173-I223 HydrophobicContact CG-CD1 3.9Å; E219-I223 HydrophobicContact CG-CD1 4.11Å; E219-I223 WeakPolarHBondContact O-CD1 3.24Å; E219-I223 VanDerWaalsContact O-CG1 3.27Å; E219-I223 WeakPolarHBondContact O-CG1 3.34Å; E219-I223 PolarHBondContact O-N 2.65Å; V220-I223 PolarHBondContact O-N 3.46Å; F221-I223 VanDerWaalsContact C-N 3.26Å; F221-I223 PolarHBondContact O-N 3.2Å; I223-S225 VanDerWaalsContact C-N 3.29Å; I223-S225 PolarHBondContact O-N 3.33Å; I223-S226 VanDerWaalsContact O-CB 3.27Å; I223-S226 WeakPolarHBondContact O-CB 3.43Å; I223-S226 PolarHBondContact O-N 2.85Å; I223-F231 HydrophobicContact CG2-CE1 4.09Å; I223-P233 HydrophobicContact CG2-CB 3.44Å; I223-P233 VanDerWaalsContact CG2-CB 3.44Å; I223-P233 HydrophobicContact CG2-CG 4.03Å; I223-L237 HydrophobicContact CG2-CD1 3.83Å; I223-R273 PolarHBondContact O-NH1 3.39Å |
| 224 | I | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.8 | -24.5 | -177.2 | 65.6 | -174.4 | 0 | 0 | 0 | 113 | V220 F221 L237 K269 A270 R273 M274 W277 | V220-I224 WeakPolarHBondContact O-CG1 3.44Å; V220-I224 PolarHBondContact O-N 3.41Å; F221-I224 HydrophobicContact CD1-CD1 4.44Å; F221-I224 WeakPolarHBondContact O-CG1 3.47Å; F221-I224 PolarHBondContact O-N 3.26Å; I224-L237 HydrophobicContact CG2-CD1 4.06Å; I224-K269 CarbonylContact O-C 3.59Å; I224-A270 HydrophobicContact CG1-CB 4.2Å; I224-A270 WeakPolarHBondContact O-CA 3.28Å; I224-A270 PolarHBondContact O-N 2.98Å; I224-R273 HydrophobicContact CB-CB 4.19Å; I224-R273 HydrophobicContact CG2-CB 4.33Å; I224-R273 WeakPolarHBondContact O-CD 3.27Å; I224-R273 PolarHBondContact O-NH1 2.92Å; I224-M274 HydrophobicContact CD1-CE 3.41Å; I224-M274 VanDerWaalsContact CD1-CE 3.41Å; I224-M274 HydrophobicContact CD1-CG 3.96Å; I224-W277 HydrophobicContact CD1-CH2 3.86Å; I224-W277 HydrophobicContact CD1-CZ2 4.11Å; I224-W277 HydrophobicContact CG2-CH2 4.4Å; I224-W277 HydrophobicContact CG2-CZ2 3.62Å |
| 225 | S | 92 | Very high | 91.7 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -3.9 | 175.7 | 66.6 | 0 | 0 | 0 | 0 | 113.9 | F221 A222 I223 T227 S266 | F221-S225 WeakPolarHBondContact O-CB 3.37Å; F221-S225 PolarHBondContact O-N 3.01Å; F221-S225 PolarHBondContact O-OG 2.79Å; A222-S225 PolarHBondContact O-OG 3.05Å; I223-S225 VanDerWaalsContact C-N 3.29Å; I223-S225 PolarHBondContact O-N 3.33Å; S225-T227 PolarHBondContact O-N 3.34Å; S225-S266 VanDerWaalsContact O-CA 3.3Å; S225-S266 WeakPolarHBondContact O-CA 3.44Å; S225-S266 WeakPolarHBondContact O-CB 3.24Å; S225-S266 PolarHBondContact O-OG 3.46Å |
| 226 | S | 92.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 24% | 0.238 | 24% | 0.244 | C | C | . | . | trans | -61 | 132.5 | 177.9 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | A222 I223 D228 R273 | A222-S226 PolarHBondContact O-N 3.36Å; I223-S226 VanDerWaalsContact O-CB 3.27Å; I223-S226 WeakPolarHBondContact O-CB 3.43Å; I223-S226 PolarHBondContact O-N 2.85Å; S226-D228 WeakPolarHBondContact OG-CB 3.43Å; S226-D228 PolarHBondContact OG-N 3.1Å; S226-R273 PolarHBondContact O-NH1 3.1Å; S226-R273 PolarHBondContact O-NH2 3.32Å | ||
| 227 | T | 90.8 | Very high | 91.8 | Very high | 48 Ų | 48 | 41.5 Ų | 41.5 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | trans | -96.6 | 9.7 | 176 | 61.5 | 0 | 0 | 0 | 0 | 112.9 | S225 P229 R263 A265 | S225-T227 PolarHBondContact O-N 3.34Å; T227-P229 WeakPolarHBondContact O-CD 3.48Å; T227-R263 PolarHBondContact OG1-NH2 3.45Å; T227-R263 VanDerWaalsContact OG1-NH2 3.07Å; T227-A265 HydrophobicContact CG2-CB 3.93Å | ||
| 228 | D | 90.3 | Very high | 91.9 | Very high | 71 Ų | 71 | 41.5 Ų | 41.5 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | trans | -64.9 | 119.1 | 178.2 | -172.7 | -14.1 | 0 | 0 | 0 | 110.1 | S226 S230 F231 | S226-D228 WeakPolarHBondContact OG-CB 3.43Å; S226-D228 PolarHBondContact OG-N 3.1Å; D228-S230 VanDerWaalsContact C-N 3.28Å; D228-S230 VanDerWaalsContact CG-OG 3.24Å; D228-S230 PolarHBondContact O-N 2.97Å; D228-S230 WeakPolarHBondContact OD1-CB 3.23Å; D228-S230 PolarHBondContact OD1-N 3.33Å; D228-S230 PolarHBondContact OD1-OG 2.9Å; D228-S230 PolarHBondContact OD2-OG 3.1Å; D228-F231 HydrophobicContact CB-CB 4.46Å | ||
| 229 | P | 83.2 | Confident | 92 | Very high | 130 Ų | 130 | 37.1 Ų | 37.1 | 84% | 0.844 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -19.3 | 179 | 31.1 | -35.7 | 0 | 0 | 0 | 113.2 | T227 F231 | T227-P229 WeakPolarHBondContact O-CD 3.48Å; P229-F231 VanDerWaalsContact C-N 3.3Å |
| 230 | S | 86 | Confident | 91.9 | Very high | 104 Ų | 104 | 36 Ų | 36 | 73% | 0.727 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -13.8 | -179.1 | 71.8 | 0 | 0 | 0 | 0 | 113.4 | D228 | D228-S230 VanDerWaalsContact C-N 3.28Å; D228-S230 VanDerWaalsContact CG-OG 3.24Å; D228-S230 PolarHBondContact O-N 2.97Å; D228-S230 WeakPolarHBondContact OD1-CB 3.23Å; D228-S230 PolarHBondContact OD1-N 3.33Å; D228-S230 PolarHBondContact OD1-OG 2.9Å; D228-S230 PolarHBondContact OD2-OG 3.1Å |
| 231 | F | 88.1 | Confident | 91.6 | Very high | 58 Ų | 58 | 36.1 Ų | 36.1 | 25% | 0.254 | 22% | 0.22 | S | C | . | . | trans | -128 | 112.6 | -174.1 | 179.1 | -113.8 | 0 | 0 | 0 | 111.3 | I223 D228 P229 P233 R273 | I223-F231 HydrophobicContact CG2-CE1 4.09Å; D228-F231 HydrophobicContact CB-CB 4.46Å; P229-F231 VanDerWaalsContact C-N 3.3Å; F231-P233 HydrophobicContact CE1-CB 4.15Å; F231-P233 HydrophobicContact CZ-CB 4.22Å; F231-R273 PolarHBondContact O-NH2 3.21Å | ||
| 232 | D | 87.6 | Confident | 91.4 | Very high | 114 Ų | 114 | 36.2 Ų | 36.2 | 61% | 0.61 | 22% | 0.221 | S | C | * | . | trans | -108.9 | 114.4 | 171 | -159.7 | 30.9 | 0 | 0 | 0 | 110.2 | R273 | D232-R273 IonicContact OD1-NE 3.34Å; D232-R273 IonicContact OD1-NH2 3.83Å | ||
| 233 | P | 94.4 | Very high | 91 | Very high | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | trans | -71.9 | 141 | -175.6 | 29.3 | -34.7 | 0 | 0 | 0 | 111.6 | S176 I223 F231 L237 R273 | S176-P233 WeakPolarHBondContact O-CA 3.38Å; I223-P233 HydrophobicContact CG2-CB 3.44Å; I223-P233 VanDerWaalsContact CG2-CB 3.44Å; I223-P233 HydrophobicContact CG2-CG 4.03Å; F231-P233 HydrophobicContact CE1-CB 4.15Å; F231-P233 HydrophobicContact CZ-CB 4.22Å; P233-L237 HydrophobicContact CB-CD1 4.13Å; P233-R273 VanDerWaalsContact CD-NE 3.27Å; P233-R273 VanDerWaalsContact CD-NH2 3.34Å; P233-R273 HydrophobicContact CG-CG 4.4Å | ||
| 234 | S | 94.8 | Very high | 90.7 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 12% | 0.119 | 23% | 0.232 | C | C | . | . | trans | -60.1 | 141.5 | 177.1 | -175.3 | 0 | 0 | 0 | 0 | 113.1 | S176 F178 A236 L237 | S176-S234 WeakPolarHBondContact O-CB 3.46Å; S176-S234 PolarHBondContact O-N 2.89Å; F178-S234 WeakPolarHBondContact O-CB 3.33Å; F178-S234 PolarHBondContact O-OG 3.24Å; S234-A236 PolarHBondContact O-N 3.22Å; S234-A236 VanDerWaalsContact O-N 3.14Å; S234-A236 VanDerWaalsContact OG-CB 3.28Å; S234-A236 WeakPolarHBondContact OG-CB 3.48Å; S234-A236 PolarHBondContact OG-N 3.19Å; S234-A236 VanDerWaalsContact OG-N 3.1Å; S234-L237 PolarHBondContact O-N 3.21Å | ||
| 235 | I | 94.2 | Very high | 90.4 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 30% | 0.303 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -63.2 | -13 | 168.8 | 62.2 | 167.8 | 0 | 0 | 0 | 112.8 | L237 A238 D276 W280 | I235-L237 PolarHBondContact O-N 3.22Å; I235-L237 VanDerWaalsContact O-N 3.1Å; I235-A238 WeakPolarHBondContact O-CB 3.32Å; I235-A238 PolarHBondContact O-N 3.25Å; I235-D276 HydrophobicContact CG2-CB 4.17Å; I235-W280 HydrophobicContact CD1-CE3 4.46Å; I235-W280 HydrophobicContact CG1-CE3 4.3Å |
| 236 | A | 94.9 | Very high | 90 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -56 | -24.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I175 F178 V195 S234 A238 S239 W280 | I175-A236 HydrophobicContact CG2-CB 3.95Å; F178-A236 HydrophobicContact CB-CB 4.15Å; F178-A236 HydrophobicContact CD2-CB 4.32Å; V195-A236 HydrophobicContact CG1-CB 3.9Å; V195-A236 HydrophobicContact CG2-CB 4.32Å; S234-A236 PolarHBondContact O-N 3.22Å; S234-A236 VanDerWaalsContact O-N 3.14Å; S234-A236 VanDerWaalsContact OG-CB 3.28Å; S234-A236 WeakPolarHBondContact OG-CB 3.48Å; S234-A236 PolarHBondContact OG-N 3.19Å; S234-A236 VanDerWaalsContact OG-N 3.1Å; A236-A238 PolarHBondContact O-N 3.19Å; A236-S239 VanDerWaalsContact O-CB 3.26Å; A236-S239 WeakPolarHBondContact O-CB 3.39Å; A236-S239 PolarHBondContact O-N 3.47Å; A236-S239 PolarHBondContact O-OG 2.94Å; A236-W280 HydrophobicContact CB-CZ3 4.16Å |
| 237 | L | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -56.6 | -27.4 | 171.6 | -72.2 | 175.2 | 0 | 0 | 0 | 112.9 | V172 I175 I223 I224 P233 S234 I235 S239 L240 W277 | V172-L237 HydrophobicContact CG1-CD2 4.14Å; I175-L237 HydrophobicContact CB-CD2 4.33Å; I175-L237 HydrophobicContact CG2-CD2 4.06Å; I223-L237 HydrophobicContact CG2-CD1 3.83Å; I224-L237 HydrophobicContact CG2-CD1 4.06Å; P233-L237 HydrophobicContact CB-CD1 4.13Å; S234-L237 PolarHBondContact O-N 3.21Å; I235-L237 PolarHBondContact O-N 3.22Å; I235-L237 VanDerWaalsContact O-N 3.1Å; L237-S239 PolarHBondContact O-N 3.26Å; L237-S239 VanDerWaalsContact O-N 3.14Å; L237-L240 HydrophobicContact CD2-CD1 4.1Å; L237-L240 WeakPolarHBondContact O-CB 3.49Å; L237-L240 PolarHBondContact O-N 3.37Å; L237-W277 HydrophobicContact CB-CZ2 4.03Å |
| 238 | A | 94.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -56.1 | -29.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I235 A236 L240 V241 Q242 W277 W280 | I235-A238 WeakPolarHBondContact O-CB 3.32Å; I235-A238 PolarHBondContact O-N 3.25Å; A236-A238 PolarHBondContact O-N 3.19Å; A238-L240 PolarHBondContact O-N 2.98Å; A238-V241 WeakPolarHBondContact O-CG2 3.37Å; A238-V241 PolarHBondContact O-N 2.65Å; A238-Q242 PolarHBondContact O-NE2 3.49Å; A238-W277 HydrophobicContact CB-CB 3.59Å; A238-W277 HydrophobicContact CB-CD2 4.29Å; A238-W277 HydrophobicContact CB-CG 3.68Å; A238-W280 HydrophobicContact CB-CB 3.51Å; A238-W280 HydrophobicContact CB-CG 3.76Å |
| 239 | S | 94 | Very high | 89.3 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -63.1 | -22.6 | 178.3 | 70.2 | 0 | 0 | 0 | 0 | 113.4 | S199 A236 L237 | S199-S239 PolarHBondContact OG-O 3.21Å; A236-S239 VanDerWaalsContact O-CB 3.26Å; A236-S239 WeakPolarHBondContact O-CB 3.39Å; A236-S239 PolarHBondContact O-N 3.47Å; A236-S239 PolarHBondContact O-OG 2.94Å; L237-S239 PolarHBondContact O-N 3.26Å; L237-S239 VanDerWaalsContact O-N 3.14Å |
| 240 | L | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -82.9 | -29.7 | -177.4 | -63.6 | -176.5 | 0 | 0 | 0 | 113.1 | V172 I175 L202 W206 V220 L237 A238 | V172-L240 HydrophobicContact CG2-CD1 4.02Å; I175-L240 HydrophobicContact CD1-CD1 3.98Å; I175-L240 HydrophobicContact CD1-CD2 3.81Å; I175-L240 HydrophobicContact CD1-CG 4.21Å; L202-L240 HydrophobicContact CB-CD2 4.47Å; L202-L240 HydrophobicContact CD2-CD1 4.11Å; L202-L240 HydrophobicContact CD2-CD2 3.74Å; W206-L240 HydrophobicContact CH2-CB 4.18Å; W206-L240 HydrophobicContact CH2-CD2 4.42Å; V220-L240 HydrophobicContact CG2-CD1 4.07Å; L237-L240 HydrophobicContact CD2-CD1 4.1Å; L237-L240 WeakPolarHBondContact O-CB 3.49Å; L237-L240 PolarHBondContact O-N 3.37Å; A238-L240 PolarHBondContact O-N 2.98Å |
| 241 | V | 89.4 | Confident | 89.5 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -94.6 | 0.1 | -165.3 | -61.6 | 0 | 0 | 0 | 0 | 114 | A238 H243 W277 W289 | A238-V241 WeakPolarHBondContact O-CG2 3.37Å; A238-V241 PolarHBondContact O-N 2.65Å; V241-H243 PolarHBondContact O-N 3Å; V241-W277 HydrophobicContact CB-CZ3 4.39Å; V241-W277 HydrophobicContact CG1-CH2 3.99Å; V241-W277 HydrophobicContact CG1-CZ3 3.99Å; V241-W277 HydrophobicContact CG2-CE3 3.91Å; V241-W277 HydrophobicContact CG2-CZ3 3.83Å; V241-W289 HydrophobicContact CB-CD2 4.48Å; V241-W289 HydrophobicContact CB-CZ2 3.82Å; V241-W289 HydrophobicContact CG1-CZ2 4Å; V241-W289 PolarHBondContact O-NE1 3.14Å |
| 242 | Q | 86.5 | Confident | 89.3 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -29.7 | -174.5 | -58.8 | -55.3 | -51.3 | 0 | 0 | 114 | A238 H285 | A238-Q242 PolarHBondContact O-NE2 3.49Å; Q242-H285 PolarHBondContact O-CD2 3.36Å; Q242-H285 VanDerWaalsContact O-CD2 3.31Å |
| 243 | H | 82.7 | Confident | 89.4 | Confident | 131 Ų | 131 | 40.3 Ų | 40.3 | 61% | 0.606 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 27.3 | -171.8 | -58.3 | -54.1 | 0 | 0 | 0 | 113.3 | V241 | V241-H243 PolarHBondContact O-N 3Š|
| 244 | I | 88.2 | Confident | 89 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | trans | -87.6 | 132.8 | 179.4 | -57.6 | -55.8 | 0 | 0 | 0 | 110.1 | W206 L213 L217 V246 M248 I249 W289 | W206-I244 HydrophobicContact CE3-CD1 4.22Å; W206-I244 HydrophobicContact CH2-CD1 4.44Å; W206-I244 HydrophobicContact CZ3-CD1 3.74Å; L213-I244 HydrophobicContact CD1-CD1 4.04Å; L217-I244 HydrophobicContact CD1-CD1 4.28Å; L217-I244 HydrophobicContact CD1-CG2 4Å; L217-I244 HydrophobicContact CD2-CD1 4.11Å; L217-I244 HydrophobicContact CD2-CG1 4.23Å; I244-V246 PolarHBondContact O-N 3.45Å; I244-M248 HydrophobicContact CG2-CB 3.95Å; I244-M248 HydrophobicContact CG2-CG 4.18Å; I244-I249 HydrophobicContact CG2-CG1 4.13Å; I244-W289 HydrophobicContact CB-CZ2 3.71Å; I244-W289 HydrophobicContact CG1-CZ2 3.89Å; I244-W289 HydrophobicContact CG2-CH2 4.13Å; I244-W289 HydrophobicContact CG2-CZ2 3.8Å | ||
| 245 | P | 86.4 | Confident | 88.5 | Confident | 78 Ų | 78 | 48.8 Ų | 48.8 | 51% | 0.506 | 26% | 0.262 | S | S | . | . | trans | -59.3 | 137.1 | 177.1 | -24.2 | 33.7 | 0 | 0 | 0 | 112.6 | Q247 M248 I249 | P245-Q247 PolarHBondContact O-N 3.33Å; P245-Q247 VanDerWaalsContact O-N 3.1Å; P245-M248 WeakPolarHBondContact O-CB 3.46Å; P245-M248 PolarHBondContact O-N 2.98Å; P245-I249 PolarHBondContact O-N 3.36Å | ||
| 246 | V | 84.8 | Confident | 88 | Confident | 93 Ų | 93 | 46.6 Ų | 46.6 | 56% | 0.564 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -55.7 | -32.5 | -178.4 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | I244 M248 I249 T250 T288 | I244-V246 PolarHBondContact O-N 3.45Å; V246-M248 VanDerWaalsContact C-N 3.32Å; V246-M248 PolarHBondContact O-N 3.04Å; V246-I249 WeakPolarHBondContact O-CB 3.35Å; V246-I249 PolarHBondContact O-N 3.32Å; V246-T250 PolarHBondContact O-N 3.33Å; V246-T250 PolarHBondContact O-OG1 3.04Å; V246-T288 HydrophobicContact CG2-CG2 4.42Å |
| 247 | Q | 83.9 | Confident | 87.6 | Confident | 162 Ų | 162 | 47.2 Ų | 47.2 | 76% | 0.757 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.7 | -41.9 | 175.2 | -66.4 | 176.4 | -2.2 | 0 | 0 | 111.7 | P245 T250 V251 | P245-Q247 PolarHBondContact O-N 3.33Å; P245-Q247 VanDerWaalsContact O-N 3.1Å; Q247-T250 PolarHBondContact O-N 2.86Å; Q247-V251 WeakPolarHBondContact O-CG2 3.44Å; Q247-V251 PolarHBondContact O-N 3.18Å; Q247-V251 VanDerWaalsContact O-N 3.07Å |
| 248 | M | 86.2 | Confident | 87.1 | Confident | 53 Ų | 53 | 51.1 Ų | 51.1 | 26% | 0.261 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.3 | -39.8 | 178.5 | -169.2 | 61.1 | 66.9 | 0 | 0 | 111.3 | L214 L217 I244 P245 V246 T250 V251 L252 | L214-M248 HydrophobicContact CD1-SD 4.12Å; L217-M248 HydrophobicContact CD1-CG 3.76Å; I244-M248 HydrophobicContact CG2-CB 3.95Å; I244-M248 HydrophobicContact CG2-CG 4.18Å; P245-M248 WeakPolarHBondContact O-CB 3.46Å; P245-M248 PolarHBondContact O-N 2.98Å; V246-M248 VanDerWaalsContact C-N 3.32Å; V246-M248 PolarHBondContact O-N 3.04Å; M248-T250 VanDerWaalsContact C-N 3.28Å; M248-T250 PolarHBondContact O-N 3.37Å; M248-V251 PolarHBondContact O-N 3.4Å; M248-L252 HydrophobicContact CG-CD1 4.09Å; M248-L252 WeakPolarHBondContact O-CG 3.47Å; M248-L252 PolarHBondContact O-N 3.1Å |
| 249 | I | 88.2 | Confident | 86.6 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.6 | -49.4 | 172.3 | -56.7 | -178.5 | 0 | 0 | 0 | 109.6 | I244 P245 V246 V251 L252 I253 T288 W289 A292 | I244-I249 HydrophobicContact CG2-CG1 4.13Å; P245-I249 PolarHBondContact O-N 3.36Å; V246-I249 WeakPolarHBondContact O-CB 3.35Å; V246-I249 PolarHBondContact O-N 3.32Å; I249-V251 PolarHBondContact O-N 2.95Å; I249-L252 PolarHBondContact O-N 3.05Å; I249-I253 HydrophobicContact CG2-CG1 4.07Å; I249-I253 WeakPolarHBondContact O-CB 3.45Å; I249-I253 VanDerWaalsContact O-CG1 3.24Å; I249-I253 WeakPolarHBondContact O-CG1 3.38Å; I249-I253 PolarHBondContact O-N 3.1Å; I249-T288 HydrophobicContact CD1-CG2 3.87Å; I249-W289 HydrophobicContact CB-CE3 4.36Å; I249-W289 HydrophobicContact CB-CH2 4.4Å; I249-W289 HydrophobicContact CB-CZ3 4.23Å; I249-W289 HydrophobicContact CD1-CD2 3.97Å; I249-W289 HydrophobicContact CD1-CG 4.27Å; I249-W289 HydrophobicContact CD1-CZ2 3.98Å; I249-W289 HydrophobicContact CG1-CD2 4.01Å; I249-W289 HydrophobicContact CG1-CE3 4.21Å; I249-W289 HydrophobicContact CG1-CH2 3.79Å; I249-W289 HydrophobicContact CG1-CZ2 3.58Å; I249-W289 HydrophobicContact CG1-CZ3 4.06Å; I249-W289 HydrophobicContact CG2-CD2 3.9Å; I249-W289 HydrophobicContact CG2-CE3 3.66Å; I249-W289 HydrophobicContact CG2-CG 4.44Å; I249-W289 HydrophobicContact CG2-CZ3 3.96Å; I249-A292 HydrophobicContact CG2-CB 4.03Å |
| 250 | T | 85.2 | Confident | 85.8 | Confident | 81 Ų | 81 | 62.7 Ų | 62.7 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | -178.7 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | V246 Q247 M248 K254 | V246-T250 PolarHBondContact O-N 3.33Å; V246-T250 PolarHBondContact O-OG1 3.04Å; Q247-T250 PolarHBondContact O-N 2.86Å; M248-T250 VanDerWaalsContact C-N 3.28Å; M248-T250 PolarHBondContact O-N 3.37Å; T250-K254 WeakPolarHBondContact O-CB 3.44Å; T250-K254 PolarHBondContact O-N 2.95Å |
| 251 | V | 86.6 | Confident | 85.3 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | Q247 M248 I249 K254 S255 | Q247-V251 WeakPolarHBondContact O-CG2 3.44Å; Q247-V251 PolarHBondContact O-N 3.18Å; Q247-V251 VanDerWaalsContact O-N 3.07Å; M248-V251 PolarHBondContact O-N 3.4Å; I249-V251 PolarHBondContact O-N 2.95Å; V251-K254 PolarHBondContact O-N 3.13Å; V251-S255 WeakPolarHBondContact O-CB 3.43Å; V251-S255 PolarHBondContact O-N 3.48Å |
| 252 | L | 85.6 | Confident | 85.1 | Confident | 10 Ų | 10 | 70.8 Ų | 70.8 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.6 | -44.8 | -179.3 | -70.3 | 166.8 | 0 | 0 | 0 | 112.4 | L214 L217 Q218 F221 M248 I249 S255 L256 W289 | L214-L252 HydrophobicContact CD1-CD2 3.99Å; L217-L252 HydrophobicContact CB-CD1 3.67Å; L217-L252 HydrophobicContact CB-CD2 4.43Å; L217-L252 HydrophobicContact CD1-CD1 3.69Å; L217-L252 HydrophobicContact CG-CD1 4.26Å; Q218-L252 HydrophobicContact CG-CD2 4.39Å; F221-L252 HydrophobicContact CD2-CB 4.44Å; F221-L252 HydrophobicContact CD2-CD1 4.4Å; F221-L252 HydrophobicContact CE2-CB 3.82Å; F221-L252 HydrophobicContact CE2-CD1 3.89Å; F221-L252 HydrophobicContact CE2-CG 4.33Å; F221-L252 HydrophobicContact CZ-CB 3.86Å; M248-L252 HydrophobicContact CG-CD1 4.09Å; M248-L252 WeakPolarHBondContact O-CG 3.47Å; M248-L252 PolarHBondContact O-N 3.1Å; I249-L252 PolarHBondContact O-N 3.05Å; L252-S255 WeakPolarHBondContact O-CB 3.43Å; L252-S255 PolarHBondContact O-N 3.37Å; L252-L256 PolarHBondContact O-N 3.25Å; L252-W289 HydrophobicContact CD1-CH2 4.03Å; L252-W289 HydrophobicContact CD1-CZ3 4.23Å |
| 253 | I | 88.3 | Confident | 85.2 | Confident | 7 Ų | 7 | 77.2 Ų | 77.2 | 4% | 0.036 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 177.2 | -65 | -61.6 | 0 | 0 | 0 | 110.9 | F221 I249 L256 T257 M274 A292 L293 | F221-I253 HydrophobicContact CE1-CD1 3.93Å; F221-I253 HydrophobicContact CZ-CD1 3.87Å; I249-I253 HydrophobicContact CG2-CG1 4.07Å; I249-I253 WeakPolarHBondContact O-CB 3.45Å; I249-I253 VanDerWaalsContact O-CG1 3.24Å; I249-I253 WeakPolarHBondContact O-CG1 3.38Å; I249-I253 PolarHBondContact O-N 3.1Å; I253-L256 PolarHBondContact O-N 3.42Å; I253-T257 HydrophobicContact CG2-CG2 4.33Å; I253-T257 WeakPolarHBondContact O-CB 3.4Å; I253-T257 WeakPolarHBondContact O-CG2 3.22Å; I253-T257 PolarHBondContact O-N 3.33Å; I253-T257 PolarHBondContact O-OG1 3.49Å; I253-M274 HydrophobicContact CD1-CE 4.1Å; I253-A292 HydrophobicContact CG1-CB 4.17Å; I253-L293 HydrophobicContact CD1-CB 3.86Å; I253-L293 HydrophobicContact CD1-CD1 4.07Å; I253-L293 HydrophobicContact CD1-CG 4.4Å; I253-L293 HydrophobicContact CG2-CD1 4.22Å |
| 254 | K | 86 | Confident | 85.5 | Confident | 138 Ų | 138 | 74.5 Ų | 74.5 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.7 | -47.8 | 174.6 | -172.5 | 176.5 | -179.7 | -178.9 | 0 | 110.4 | T250 V251 L256 T257 T258 | T250-K254 WeakPolarHBondContact O-CB 3.44Å; T250-K254 PolarHBondContact O-N 2.95Å; V251-K254 PolarHBondContact O-N 3.13Å; K254-L256 VanDerWaalsContact C-N 3.31Å; K254-L256 PolarHBondContact O-N 3.31Å; K254-T257 PolarHBondContact O-N 3.44Å; K254-T257 PolarHBondContact O-OG1 3.31Å; K254-T258 HydrophobicContact CG-CG2 4Å; K254-T258 WeakPolarHBondContact O-CB 3.41Å; K254-T258 WeakPolarHBondContact O-CG2 3.31Å; K254-T258 PolarHBondContact O-N 3.45Å; K254-T258 PolarHBondContact O-OG1 2.96Å |
| 255 | S | 85 | Confident | 85.6 | Confident | 69 Ų | 69 | 76 Ų | 76 | 48% | 0.483 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -55.6 | -45.4 | 175.7 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | V251 L252 D259 | V251-S255 WeakPolarHBondContact O-CB 3.43Å; V251-S255 PolarHBondContact O-N 3.48Å; L252-S255 WeakPolarHBondContact O-CB 3.43Å; L252-S255 PolarHBondContact O-N 3.37Å; S255-D259 WeakPolarHBondContact O-CB 3.19Å; S255-D259 PolarHBondContact O-N 2.78Å |
| 256 | L | 83.7 | Confident | 85.8 | Confident | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.073 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 179.9 | -179.2 | 69.9 | 0 | 0 | 0 | 112.9 | F221 L252 I253 K254 V262 A270 L293 | F221-L256 HydrophobicContact CD1-CB 4.4Å; F221-L256 HydrophobicContact CD1-CD1 4.49Å; F221-L256 HydrophobicContact CD1-CD2 3.97Å; F221-L256 HydrophobicContact CE1-CB 4.42Å; F221-L256 HydrophobicContact CE1-CD2 3.9Å; L252-L256 PolarHBondContact O-N 3.25Å; I253-L256 PolarHBondContact O-N 3.42Å; K254-L256 VanDerWaalsContact C-N 3.31Å; K254-L256 PolarHBondContact O-N 3.31Å; L256-V262 HydrophobicContact CD1-CG1 3.94Å; L256-V262 HydrophobicContact CD1-CG2 4.47Å; L256-A270 HydrophobicContact CD2-CB 4.14Å; L256-L293 HydrophobicContact CD2-CD1 3.92Å |
| 257 | T | 85.8 | Confident | 86.2 | Confident | 13 Ų | 13 | 68.9 Ų | 68.9 | 8% | 0.08 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -87.1 | -26.9 | -172.2 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | I253 K254 L293 L297 | I253-T257 HydrophobicContact CG2-CG2 4.33Å; I253-T257 WeakPolarHBondContact O-CB 3.4Å; I253-T257 WeakPolarHBondContact O-CG2 3.22Å; I253-T257 PolarHBondContact O-N 3.33Å; I253-T257 PolarHBondContact O-OG1 3.49Å; K254-T257 PolarHBondContact O-N 3.44Å; K254-T257 PolarHBondContact O-OG1 3.31Å; T257-L293 HydrophobicContact CG2-CD1 3.89Å; T257-L297 HydrophobicContact CG2-CD2 4.11Å; T257-L297 HydrophobicContact CG2-CG 4.3Å |
| 258 | T | 85.9 | Confident | 86.6 | Confident | 81 Ų | 81 | 63.4 Ų | 63.4 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -97.9 | -14.5 | -178.7 | 65.3 | 0 | 0 | 0 | 0 | 114.3 | K254 Q260 | K254-T258 HydrophobicContact CG-CG2 4Å; K254-T258 WeakPolarHBondContact O-CB 3.41Å; K254-T258 WeakPolarHBondContact O-CG2 3.31Å; K254-T258 PolarHBondContact O-N 3.45Å; K254-T258 PolarHBondContact O-OG1 2.96Å; T258-Q260 PolarHBondContact O-N 2.85Å |
| 259 | D | 82.7 | Confident | 87 | Confident | 62 Ų | 62 | 65.3 Ų | 65.3 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | trans | -72.2 | 118.5 | 178 | -175.2 | -6.1 | 0 | 0 | 0 | 110.7 | S255 N261 V262 | S255-D259 WeakPolarHBondContact O-CB 3.19Å; S255-D259 PolarHBondContact O-N 2.78Å; D259-N261 PolarHBondContact O-N 3.42Å; D259-N261 WeakPolarHBondContact OD1-CB 3.35Å; D259-N261 PolarHBondContact OD1-N 2.91Å; D259-N261 PolarHBondContact OD1-ND2 3.16Å; D259-V262 HydrophobicContact CB-CG2 3.86Å; D259-V262 PolarHBondContact O-N 3.04Å | ||
| 260 | Q | 78 | Confident | 87.3 | Confident | 191 Ų | 191 | 65.1 Ų | 65.1 | 89% | 0.893 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18.6 | -178.7 | -63.1 | -175.9 | 7.9 | 0 | 0 | 113.1 | T258 V262 | T258-Q260 PolarHBondContact O-N 2.85Å; Q260-V262 VanDerWaalsContact C-N 3.32Å |
| 261 | N | 81.4 | Confident | 87.8 | Confident | 140 Ų | 140 | 61.3 Ų | 61.3 | 75% | 0.749 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -14.4 | 179.3 | -57.5 | -59.1 | 0 | 0 | 0 | 112.7 | D259 R263 | D259-N261 PolarHBondContact O-N 3.42Å; D259-N261 WeakPolarHBondContact OD1-CB 3.35Å; D259-N261 PolarHBondContact OD1-N 2.91Å; D259-N261 PolarHBondContact OD1-ND2 3.16Å; N261-R263 PolarHBondContact O-N 3.17Å |
| 262 | V | 85.1 | Confident | 88.2 | Confident | 32 Ų | 32 | 57.8 Ų | 57.8 | 19% | 0.194 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -81.8 | 118.5 | -179.4 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | L256 D259 Q260 M267 | L256-V262 HydrophobicContact CD1-CG1 3.94Å; L256-V262 HydrophobicContact CD1-CG2 4.47Å; D259-V262 HydrophobicContact CB-CG2 3.86Å; D259-V262 PolarHBondContact O-N 3.04Å; Q260-V262 VanDerWaalsContact C-N 3.32Å; V262-M267 HydrophobicContact CB-CE 3.95Å; V262-M267 HydrophobicContact CG1-CE 3.83Å; V262-M267 HydrophobicContact CG1-CG 3.81Å; V262-M267 WeakPolarHBondContact O-CE 3.24Å |
| 263 | R | 89.1 | Confident | 88.7 | Confident | 153 Ų | 153 | 57.8 Ų | 57.8 | 58% | 0.577 | 30% | 0.301 | S | S | * | . | trans | -73.6 | 148.7 | 178.4 | -63.9 | -177.3 | -67.3 | 152.1 | 4.5 | 111.3 | T227 N261 A265 S266 M267 | T227-R263 PolarHBondContact OG1-NH2 3.45Å; T227-R263 VanDerWaalsContact OG1-NH2 3.07Å; N261-R263 PolarHBondContact O-N 3.17Å; R263-A265 PolarHBondContact O-N 3.14Å; R263-S266 WeakPolarHBondContact O-CA 3.22Å; R263-S266 VanDerWaalsContact O-CB 3.28Å; R263-S266 WeakPolarHBondContact O-CB 3.18Å; R263-S266 PolarHBondContact O-N 2.62Å; R263-M267 PolarHBondContact O-N 3.33Å | ||
| 264 | D | 89.4 | Confident | 89 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.1 | -39.9 | 177 | -72.2 | 21.6 | 0 | 0 | 0 | 112.6 | S266 M267 T268 K302 I305 | D264-S266 VanDerWaalsContact C-N 3.27Å; D264-S266 PolarHBondContact O-N 2.99Å; D264-M267 WeakPolarHBondContact O-CB 3.34Å; D264-M267 PolarHBondContact O-N 3.1Å; D264-M267 VanDerWaalsContact O-N 3.12Å; D264-T268 PolarHBondContact O-N 3.45Å; D264-T268 PolarHBondContact O-OG1 3.06Å; D264-K302 WeakPolarHBondContact OD1-CE 3.42Å; D264-K302 IonicContact OD1-NZ 3.98Å; D264-K302 PolarHBondContact OD1-NZ 2.93Å; D264-K302 IonicContact OD2-NZ 2.79Å; D264-K302 PolarHBondContact OD2-NZ 3.4Å; D264-I305 HydrophobicContact CB-CD1 3.93Å |
| 265 | A | 90 | Very high | 89.5 | Confident | 51 Ų | 51 | 50.9 Ų | 50.9 | 42% | 0.421 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.3 | -35.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T227 R263 K269 | T227-A265 HydrophobicContact CG2-CB 3.93Å; R263-A265 PolarHBondContact O-N 3.14Å; A265-K269 WeakPolarHBondContact O-CG 3.31Å; A265-K269 PolarHBondContact O-N 3.24Å |
| 266 | S | 91.9 | Very high | 90 | Very high | 16 Ų | 16 | 49 Ų | 49 | 11% | 0.112 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.5 | -39.9 | 176.2 | -70.3 | 0 | 0 | 0 | 0 | 111.4 | S225 R263 D264 K269 A270 | S225-S266 VanDerWaalsContact O-CA 3.3Å; S225-S266 WeakPolarHBondContact O-CA 3.44Å; S225-S266 WeakPolarHBondContact O-CB 3.24Å; S225-S266 PolarHBondContact O-OG 3.46Å; R263-S266 WeakPolarHBondContact O-CA 3.22Å; R263-S266 VanDerWaalsContact O-CB 3.28Å; R263-S266 WeakPolarHBondContact O-CB 3.18Å; R263-S266 PolarHBondContact O-N 2.62Å; D264-S266 VanDerWaalsContact C-N 3.27Å; D264-S266 PolarHBondContact O-N 2.99Å; S266-K269 PolarHBondContact O-N 3.22Å; S266-A270 WeakPolarHBondContact O-CB 3.03Å; S266-A270 PolarHBondContact O-N 3.36Å |
| 267 | M | 92.3 | Very high | 90.5 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 174.5 | -59.9 | -175.2 | -162.1 | 0 | 0 | 111.7 | V262 R263 D264 A270 L271 L297 I305 | V262-M267 HydrophobicContact CB-CE 3.95Å; V262-M267 HydrophobicContact CG1-CE 3.83Å; V262-M267 HydrophobicContact CG1-CG 3.81Å; V262-M267 WeakPolarHBondContact O-CE 3.24Å; R263-M267 PolarHBondContact O-N 3.33Å; D264-M267 WeakPolarHBondContact O-CB 3.34Å; D264-M267 PolarHBondContact O-N 3.1Å; D264-M267 VanDerWaalsContact O-N 3.12Å; M267-A270 PolarHBondContact O-N 3.13Å; M267-L271 WeakPolarHBondContact O-CB 3.41Å; M267-L271 PolarHBondContact O-N 2.99Å; M267-L297 HydrophobicContact CB-CD2 4.1Å; M267-L297 HydrophobicContact CG-CD2 4.4Å; M267-L297 HydrophobicContact SD-CD2 3.68Å; M267-I305 HydrophobicContact CB-CD1 4.11Å |
| 268 | T | 93.3 | Very high | 90.9 | Very high | 46 Ų | 46 | 48 Ų | 48 | 28% | 0.282 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 175.3 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | D264 L271 S272 I305 V309 | D264-T268 PolarHBondContact O-N 3.45Å; D264-T268 PolarHBondContact O-OG1 3.06Å; T268-L271 PolarHBondContact O-N 3.33Å; T268-S272 WeakPolarHBondContact O-CB 3.29Å; T268-S272 PolarHBondContact O-N 3.04Å; T268-I305 HydrophobicContact CG2-CG2 4.47Å; T268-I305 WeakPolarHBondContact OG1-CG2 3.5Å; T268-V309 HydrophobicContact CG2-CG2 3.68Å |
| 269 | K | 93.4 | Very high | 91.2 | Very high | 94 Ų | 94 | 45.8 Ų | 45.8 | 41% | 0.409 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.8 | -75.1 | -68.5 | -173.7 | 177.1 | 0 | 112 | I224 A265 S266 S272 R273 | I224-K269 CarbonylContact O-C 3.59Å; A265-K269 WeakPolarHBondContact O-CG 3.31Å; A265-K269 PolarHBondContact O-N 3.24Å; S266-K269 PolarHBondContact O-N 3.22Å; K269-S272 PolarHBondContact O-N 3.24Å; K269-R273 WeakPolarHBondContact O-CB 3.4Å; K269-R273 WeakPolarHBondContact O-CD 3.42Å; K269-R273 WeakPolarHBondContact O-CG 3.5Å; K269-R273 PolarHBondContact O-N 3.47Å |
| 270 | A | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -49.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I224 L256 S266 M267 R273 M274 | I224-A270 HydrophobicContact CG1-CB 4.2Å; I224-A270 WeakPolarHBondContact O-CA 3.28Å; I224-A270 PolarHBondContact O-N 2.98Å; L256-A270 HydrophobicContact CD2-CB 4.14Å; S266-A270 WeakPolarHBondContact O-CB 3.03Å; S266-A270 PolarHBondContact O-N 3.36Å; M267-A270 PolarHBondContact O-N 3.13Å; A270-R273 PolarHBondContact O-N 3.15Å; A270-M274 WeakPolarHBondContact O-CB 3.31Å; A270-M274 VanDerWaalsContact O-CG 3.29Å; A270-M274 WeakPolarHBondContact O-CG 3.47Å; A270-M274 PolarHBondContact O-N 2.96Å |
| 271 | L | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 177.8 | -179.5 | 63.1 | 0 | 0 | 0 | 111.8 | M267 T268 R273 M274 I275 L293 L294 L297 I305 L306 V309 | M267-L271 WeakPolarHBondContact O-CB 3.41Å; M267-L271 PolarHBondContact O-N 2.99Å; T268-L271 PolarHBondContact O-N 3.33Å; L271-R273 PolarHBondContact O-N 3.35Å; L271-M274 PolarHBondContact O-N 3.03Å; L271-I275 HydrophobicContact CD1-CD1 4.03Å; L271-I275 HydrophobicContact CD1-CG1 4.42Å; L271-I275 HydrophobicContact CG-CD1 3.89Å; L271-I275 WeakPolarHBondContact O-CD1 3.38Å; L271-I275 VanDerWaalsContact O-CG1 3.3Å; L271-I275 WeakPolarHBondContact O-CG1 3.44Å; L271-I275 PolarHBondContact O-N 2.97Å; L271-L293 HydrophobicContact CB-CD2 3.85Å; L271-L293 HydrophobicContact CD1-CB 4.33Å; L271-L293 HydrophobicContact CD1-CD2 3.92Å; L271-L293 HydrophobicContact CD1-CG 4.07Å; L271-L294 HydrophobicContact CD1-CD2 3.71Å; L271-L294 HydrophobicContact CD1-CG 4Å; L271-L294 HydrophobicContact CD2-CD2 3.8Å; L271-L294 HydrophobicContact CG-CD2 4.35Å; L271-L297 HydrophobicContact CB-CD1 4.4Å; L271-L297 HydrophobicContact CD2-CD1 3.88Å; L271-I305 HydrophobicContact CD2-CG2 4.41Å; L271-L306 HydrophobicContact CD2-CD2 4.24Å; L271-V309 HydrophobicContact CD2-CB 3.87Å; L271-V309 HydrophobicContact CD2-CG1 3.78Å; L271-V309 HydrophobicContact CD2-CG2 4.12Å; L271-V309 HydrophobicContact CG-CB 4.47Å; L271-V309 HydrophobicContact CG-CG1 3.87Å |
| 272 | S | 95.5 | Very high | 92.5 | Very high | 17 Ų | 17 | 33.9 Ų | 33.9 | 12% | 0.119 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56 | -49 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | T268 K269 I275 D276 K313 | T268-S272 WeakPolarHBondContact O-CB 3.29Å; T268-S272 PolarHBondContact O-N 3.04Å; K269-S272 PolarHBondContact O-N 3.24Å; S272-I275 WeakPolarHBondContact O-CB 3.48Å; S272-I275 PolarHBondContact O-N 3.31Å; S272-D276 PolarHBondContact O-N 2.91Å; S272-D276 VanDerWaalsContact O-OD2 3.11Å; S272-K313 WeakPolarHBondContact OG-CE 3.48Å |
| 273 | R | 95.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 4% | 0.038 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.3 | -33.3 | -177.6 | -72.5 | 163.6 | 172.3 | 165.8 | -4.1 | 112.8 | I223 I224 S226 F231 D232 P233 K269 A270 L271 I275 D276 W277 | I223-R273 PolarHBondContact O-NH1 3.39Å; I224-R273 HydrophobicContact CB-CB 4.19Å; I224-R273 HydrophobicContact CG2-CB 4.33Å; I224-R273 WeakPolarHBondContact O-CD 3.27Å; I224-R273 PolarHBondContact O-NH1 2.92Å; S226-R273 PolarHBondContact O-NH1 3.1Å; S226-R273 PolarHBondContact O-NH2 3.32Å; F231-R273 PolarHBondContact O-NH2 3.21Å; D232-R273 IonicContact OD1-NE 3.34Å; D232-R273 IonicContact OD1-NH2 3.83Å; P233-R273 VanDerWaalsContact CD-NE 3.27Å; P233-R273 VanDerWaalsContact CD-NH2 3.34Å; P233-R273 HydrophobicContact CG-CG 4.4Å; K269-R273 WeakPolarHBondContact O-CB 3.4Å; K269-R273 WeakPolarHBondContact O-CD 3.42Å; K269-R273 WeakPolarHBondContact O-CG 3.5Å; K269-R273 PolarHBondContact O-N 3.47Å; A270-R273 PolarHBondContact O-N 3.15Å; L271-R273 PolarHBondContact O-N 3.35Å; R273-I275 VanDerWaalsContact C-N 3.32Å; R273-D276 WeakPolarHBondContact O-CB 3.36Å; R273-D276 PolarHBondContact O-N 3.36Å; R273-W277 VanDerWaalsContact O-CD1 3.25Å; R273-W277 PolarHBondContact O-N 3.37Å; R273-W277 VanDerWaalsContact O-N 3.15Å |
| 274 | M | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65 | -36.4 | 170.9 | -74 | -171.2 | -177.9 | 0 | 0 | 112 | F221 I224 I253 A270 L271 D276 W277 V286 W289 V290 L293 | F221-M274 HydrophobicContact CD1-CE 4.26Å; F221-M274 HydrophobicContact CE1-CE 3.44Å; F221-M274 VanDerWaalsContact CE1-CE 3.44Å; F221-M274 HydrophobicContact CE2-CE 4.31Å; F221-M274 HydrophobicContact CZ-CE 3.47Å; F221-M274 VanDerWaalsContact CZ-CE 3.47Å; I224-M274 HydrophobicContact CD1-CE 3.41Å; I224-M274 VanDerWaalsContact CD1-CE 3.41Å; I224-M274 HydrophobicContact CD1-CG 3.96Å; I253-M274 HydrophobicContact CD1-CE 4.1Å; A270-M274 WeakPolarHBondContact O-CB 3.31Å; A270-M274 VanDerWaalsContact O-CG 3.29Å; A270-M274 WeakPolarHBondContact O-CG 3.47Å; A270-M274 PolarHBondContact O-N 2.96Å; L271-M274 PolarHBondContact O-N 3.03Å; M274-D276 VanDerWaalsContact C-N 3.35Å; M274-W277 HydrophobicContact CB-CE3 4.24Å; M274-W277 HydrophobicContact CB-CZ3 4.47Å; M274-W277 HydrophobicContact CG-CE3 4.04Å; M274-W277 HydrophobicContact CG-CH2 4.17Å; M274-W277 HydrophobicContact CG-CZ3 3.78Å; M274-W277 WeakPolarHBondContact O-CB 3.33Å; M274-W277 PolarHBondContact O-N 3.4Å; M274-V286 WeakPolarHBondContact O-CG1 3.25Å; M274-W289 HydrophobicContact CE-CE3 4.47Å; M274-W289 HydrophobicContact SD-CB 4.44Å; M274-V290 HydrophobicContact CB-CG2 4.05Å; M274-V290 WeakPolarHBondContact O-CG2 3.5Å; M274-L293 HydrophobicContact CE-CD2 4.23Å; M274-L293 HydrophobicContact SD-CB 4.26Å; M274-L293 HydrophobicContact SD-CD2 3.57Å; M274-L293 VanDerWaalsContact SD-CD2 3.57Å |
| 275 | I | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67 | -39.8 | 173.1 | -68.5 | 159.1 | 0 | 0 | 0 | 110 | L271 S272 R273 W277 L278 V290 V309 K313 M316 V317 M337 | L271-I275 HydrophobicContact CD1-CD1 4.03Å; L271-I275 HydrophobicContact CD1-CG1 4.42Å; L271-I275 HydrophobicContact CG-CD1 3.89Å; L271-I275 WeakPolarHBondContact O-CD1 3.38Å; L271-I275 VanDerWaalsContact O-CG1 3.3Å; L271-I275 WeakPolarHBondContact O-CG1 3.44Å; L271-I275 PolarHBondContact O-N 2.97Å; S272-I275 WeakPolarHBondContact O-CB 3.48Å; S272-I275 PolarHBondContact O-N 3.31Å; R273-I275 VanDerWaalsContact C-N 3.32Å; I275-W277 PolarHBondContact O-N 3.21Å; I275-L278 VanDerWaalsContact O-CB 3.31Å; I275-L278 WeakPolarHBondContact O-CB 3.1Å; I275-L278 WeakPolarHBondContact O-CG 3.4Å; I275-L278 PolarHBondContact O-N 3.08Å; I275-V290 HydrophobicContact CG1-CG1 3.73Å; I275-V290 HydrophobicContact CG1-CG2 4.31Å; I275-V309 HydrophobicContact CD1-CG1 3.51Å; I275-K313 HydrophobicContact CD1-CB 4.36Å; I275-K313 HydrophobicContact CD1-CG 4.45Å; I275-K313 HydrophobicContact CG2-CB 3.8Å; I275-K313 HydrophobicContact CG2-CG 4.16Å; I275-M316 HydrophobicContact CG2-CE 3.41Å; I275-M316 VanDerWaalsContact CG2-CE 3.41Å; I275-M316 WeakPolarHBondContact O-CE 3.27Å; I275-V317 HydrophobicContact CG2-CG2 3.54Å; I275-M337 HydrophobicContact CD1-CE 3.4Å; I275-M337 VanDerWaalsContact CD1-CE 3.4Å; I275-M337 HydrophobicContact CG1-CE 3.9Å |
| 276 | D | 95.3 | Very high | 92.3 | Very high | 29 Ų | 29 | 28.4 Ų | 28.4 | 16% | 0.155 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -26.2 | 176.6 | -65.5 | -32.2 | 0 | 0 | 0 | 113.2 | I235 S272 R273 M274 L278 S279 K313 | I235-D276 HydrophobicContact CG2-CB 4.17Å; S272-D276 PolarHBondContact O-N 2.91Å; S272-D276 VanDerWaalsContact O-OD2 3.11Å; R273-D276 WeakPolarHBondContact O-CB 3.36Å; R273-D276 PolarHBondContact O-N 3.36Å; M274-D276 VanDerWaalsContact C-N 3.35Å; D276-L278 PolarHBondContact O-N 3.37Å; D276-S279 VanDerWaalsContact O-CB 3.22Å; D276-S279 WeakPolarHBondContact O-CB 3.46Å; D276-S279 PolarHBondContact O-N 2.81Å; D276-S279 PolarHBondContact O-OG 2.95Å; D276-K313 WeakPolarHBondContact OD1-CE 3.49Å; D276-K313 IonicContact OD1-NZ 2.68Å; D276-K313 PolarHBondContact OD1-NZ 2.78Å; D276-K313 IonicContact OD2-NZ 3.61Å; D276-K313 PolarHBondContact OD2-NZ 2.89Å |
| 277 | W | 95.2 | Very high | 92.4 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -60.9 | -20.2 | 172.7 | -67.8 | -12.6 | 0 | 0 | 0 | 114.1 | V220 I224 L237 A238 V241 R273 M274 I275 S279 W280 A283 V286 | V220-W277 HydrophobicContact CG1-CH2 3.87Å; V220-W277 HydrophobicContact CG1-CZ2 3.98Å; I224-W277 HydrophobicContact CD1-CH2 3.86Å; I224-W277 HydrophobicContact CD1-CZ2 4.11Å; I224-W277 HydrophobicContact CG2-CH2 4.4Å; I224-W277 HydrophobicContact CG2-CZ2 3.62Å; L237-W277 HydrophobicContact CB-CZ2 4.03Å; A238-W277 HydrophobicContact CB-CB 3.59Å; A238-W277 HydrophobicContact CB-CD2 4.29Å; A238-W277 HydrophobicContact CB-CG 3.68Å; V241-W277 HydrophobicContact CB-CZ3 4.39Å; V241-W277 HydrophobicContact CG1-CH2 3.99Å; V241-W277 HydrophobicContact CG1-CZ3 3.99Å; V241-W277 HydrophobicContact CG2-CE3 3.91Å; V241-W277 HydrophobicContact CG2-CZ3 3.83Å; R273-W277 VanDerWaalsContact O-CD1 3.25Å; R273-W277 PolarHBondContact O-N 3.37Å; R273-W277 VanDerWaalsContact O-N 3.15Å; M274-W277 HydrophobicContact CB-CE3 4.24Å; M274-W277 HydrophobicContact CB-CZ3 4.47Å; M274-W277 HydrophobicContact CG-CE3 4.04Å; M274-W277 HydrophobicContact CG-CH2 4.17Å; M274-W277 HydrophobicContact CG-CZ3 3.78Å; M274-W277 WeakPolarHBondContact O-CB 3.33Å; M274-W277 PolarHBondContact O-N 3.4Å; I275-W277 PolarHBondContact O-N 3.21Å; W277-S279 PolarHBondContact O-N 3.47Å; W277-S279 VanDerWaalsContact O-N 3.16Å; W277-W280 VanDerWaalsContact O-CB 3.3Å; W277-W280 WeakPolarHBondContact O-CB 3.24Å; W277-W280 PolarHBondContact O-N 2.84Å; W277-A283 WeakPolarHBondContact O-CB 3.42Å; W277-V286 HydrophobicContact CB-CG1 3.63Å; W277-V286 HydrophobicContact CB-CG2 4.15Å; W277-V286 HydrophobicContact CE3-CG1 4.45Å |
| 278 | L | 93.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -63.4 | -15 | 170.4 | -65.3 | 169.5 | 0 | 0 | 0 | 112.4 | I275 D276 W280 V286 V317 R320 V326 V333 | I275-L278 VanDerWaalsContact O-CB 3.31Å; I275-L278 WeakPolarHBondContact O-CB 3.1Å; I275-L278 WeakPolarHBondContact O-CG 3.4Å; I275-L278 PolarHBondContact O-N 3.08Å; D276-L278 PolarHBondContact O-N 3.37Å; L278-W280 VanDerWaalsContact C-N 3.31Å; L278-V286 HydrophobicContact CD2-CB 4.07Å; L278-V286 HydrophobicContact CD2-CG1 3.97Å; L278-V286 HydrophobicContact CG-CG1 4.14Å; L278-V317 HydrophobicContact CD1-CG1 4.21Å; L278-V317 HydrophobicContact CD1-CG2 4.07Å; L278-R320 HydrophobicContact CB-CG 3.96Å; L278-R320 WeakPolarHBondContact O-CD 3.36Å; L278-V326 HydrophobicContact CB-CG2 4.27Å; L278-V326 HydrophobicContact CD2-CG2 3.85Å; L278-V333 HydrophobicContact CD1-CB 4.39Å; L278-V333 HydrophobicContact CD1-CG1 4.34Å; L278-V333 HydrophobicContact CD1-CG2 4.31Å |
| 279 | S | 92.6 | Very high | 92.4 | Very high | 35 Ų | 35 | 28.9 Ų | 28.9 | 25% | 0.245 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -81.8 | -8.5 | 173.4 | -55.5 | 0 | 0 | 0 | 0 | 113.2 | D276 W277 | D276-S279 VanDerWaalsContact O-CB 3.22Å; D276-S279 WeakPolarHBondContact O-CB 3.46Å; D276-S279 PolarHBondContact O-N 2.81Å; D276-S279 PolarHBondContact O-OG 2.95Å; W277-S279 PolarHBondContact O-N 3.47Å; W277-S279 VanDerWaalsContact O-N 3.16Å |
| 280 | W | 93.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -71.3 | 128.3 | 174.7 | -178.1 | -110.7 | 0 | 0 | 0 | 110.6 | Y191 V192 V195 I235 A236 A238 W277 L278 L282 A283 | Y191-W280 HydrophobicContact CE1-CH2 4.19Å; Y191-W280 AromaticContact CE1-CZ3 3.81Å; Y191-W280 HydrophobicContact CE1-CZ3 3.81Å; V192-W280 HydrophobicContact CB-CH2 4.48Å; V192-W280 HydrophobicContact CG1-CH2 4.49Å; V192-W280 HydrophobicContact CG1-CZ2 4.12Å; V192-W280 HydrophobicContact CG2-CH2 4.16Å; V195-W280 HydrophobicContact CB-CH2 3.69Å; V195-W280 HydrophobicContact CB-CZ2 4.06Å; V195-W280 HydrophobicContact CG1-CH2 3.63Å; V195-W280 HydrophobicContact CG1-CZ2 3.78Å; V195-W280 HydrophobicContact CG2-CH2 3.97Å; I235-W280 HydrophobicContact CD1-CE3 4.46Å; I235-W280 HydrophobicContact CG1-CE3 4.3Å; A236-W280 HydrophobicContact CB-CZ3 4.16Å; A238-W280 HydrophobicContact CB-CB 3.51Å; A238-W280 HydrophobicContact CB-CG 3.76Å; W277-W280 VanDerWaalsContact O-CB 3.3Å; W277-W280 WeakPolarHBondContact O-CB 3.24Å; W277-W280 PolarHBondContact O-N 2.84Å; L278-W280 VanDerWaalsContact C-N 3.31Å; W280-L282 PolarHBondContact O-N 3.33Å; W280-A283 HydrophobicContact CB-CB 4.18Å; W280-A283 WeakPolarHBondContact O-CB 3.39Å; W280-A283 PolarHBondContact O-N 3.05Å |
| 281 | P | 87.5 | Confident | 92.4 | Very high | 69 Ų | 69 | 25.7 Ų | 25.7 | 45% | 0.448 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.4 | -171.4 | -30.7 | 38.5 | 0 | 0 | 0 | 115.9 | V192 | V192-P281 HydrophobicContact CG2-CB 4.38Å; V192-P281 HydrophobicContact CG2-CG 3.87Å |
| 282 | L | 87.5 | Confident | 92.3 | Very high | 69 Ų | 69 | 26.9 Ų | 26.9 | 36% | 0.361 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 22.3 | -179.6 | -56.5 | 176.6 | 0 | 0 | 0 | 112.6 | V192 W280 Q284 | V192-L282 HydrophobicContact CG1-CD1 3.81Å; V192-L282 HydrophobicContact CG1-CG 4.14Å; W280-L282 PolarHBondContact O-N 3.33Å; L282-Q284 PolarHBondContact O-N 3.08Å |
| 283 | A | 84 | Confident | 92.2 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | trans | -73 | 90 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W277 W280 V286 V326 | W277-A283 WeakPolarHBondContact O-CB 3.42Å; W280-A283 HydrophobicContact CB-CB 4.18Å; W280-A283 WeakPolarHBondContact O-CB 3.39Å; W280-A283 PolarHBondContact O-N 3.05Å; A283-V286 HydrophobicContact CB-CB 4.29Å; A283-V286 HydrophobicContact CB-CG2 3.52Å; A283-V326 HydrophobicContact CB-CG2 4.22Å; A283-V326 WeakPolarHBondContact O-CG2 3.34Å | ||
| 284 | Q | 84.9 | Confident | 92.1 | Very high | 108 Ų | 108 | 25.6 Ų | 25.6 | 51% | 0.505 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -93 | -36.7 | 176.9 | -67.3 | -174.8 | 2.6 | 0 | 0 | 112.8 | L282 I325 | L282-Q284 PolarHBondContact O-N 3.08Å; Q284-I325 HydrophobicContact CG-CG2 3.9Å |
| 285 | H | 88.7 | Confident | 91.8 | Very high | 85 Ų | 85 | 31.6 Ų | 31.6 | 39% | 0.394 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -121.1 | 18.6 | -170.4 | -59.1 | -49.6 | 0 | 0 | 0 | 113.7 | Q242 D287 T288 | Q242-H285 PolarHBondContact O-CD2 3.36Å; Q242-H285 VanDerWaalsContact O-CD2 3.31Å; H285-D287 VanDerWaalsContact C-N 3.27Å; H285-D287 VanDerWaalsContact C-OD1 3.3Å; H285-D287 WeakPolarHBondContact CA-OD1 3.31Å; H285-D287 PolarHBondContact O-N 3.05Å; H285-T288 PolarHBondContact O-N 3.25Å |
| 286 | V | 92.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -31.7 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | M274 W277 L278 A283 T288 W289 V290 | M274-V286 WeakPolarHBondContact O-CG1 3.25Å; W277-V286 HydrophobicContact CB-CG1 3.63Å; W277-V286 HydrophobicContact CB-CG2 4.15Å; W277-V286 HydrophobicContact CE3-CG1 4.45Å; L278-V286 HydrophobicContact CD2-CB 4.07Å; L278-V286 HydrophobicContact CD2-CG1 3.97Å; L278-V286 HydrophobicContact CG-CG1 4.14Å; A283-V286 HydrophobicContact CB-CB 4.29Å; A283-V286 HydrophobicContact CB-CG2 3.52Å; V286-T288 PolarHBondContact O-N 3.33Å; V286-W289 WeakPolarHBondContact O-CB 3.44Å; V286-W289 PolarHBondContact O-N 2.93Å; V286-V290 HydrophobicContact CG1-CG2 4.04Å; V286-V290 PolarHBondContact O-N 2.74Å; V286-V290 VanDerWaalsContact O-N 3.08Å |
| 287 | D | 93.1 | Very high | 91.2 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 13% | 0.134 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.6 | -38.6 | 177.2 | 66 | -37.4 | 0 | 0 | 0 | 112.7 | H285 W289 V290 I291 G329 V333 | H285-D287 VanDerWaalsContact C-N 3.27Å; H285-D287 VanDerWaalsContact C-OD1 3.3Å; H285-D287 WeakPolarHBondContact CA-OD1 3.31Å; H285-D287 PolarHBondContact O-N 3.05Å; D287-W289 VanDerWaalsContact C-N 3.3Å; D287-W289 PolarHBondContact O-N 3.03Å; D287-V290 PolarHBondContact O-N 3.14Å; D287-I291 HydrophobicContact CB-CD1 4.43Å; D287-I291 VanDerWaalsContact O-CB 3.31Å; D287-I291 WeakPolarHBondContact O-CB 3.32Å; D287-I291 VanDerWaalsContact O-CG1 3.25Å; D287-I291 WeakPolarHBondContact O-CG1 3.41Å; D287-I291 PolarHBondContact O-N 3.27Å; D287-G329 WeakPolarHBondContact CB-O 3.15Å; D287-V333 HydrophobicContact CB-CG2 3.83Å |
| 288 | T | 92.4 | Very high | 90.8 | Very high | 51 Ų | 51 | 31.3 Ų | 31.3 | 31% | 0.313 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60 | -40.7 | 177.5 | -59 | 0 | 0 | 0 | 0 | 111.5 | V246 I249 H285 V286 A292 | V246-T288 HydrophobicContact CG2-CG2 4.42Å; I249-T288 HydrophobicContact CD1-CG2 3.87Å; H285-T288 PolarHBondContact O-N 3.25Å; V286-T288 PolarHBondContact O-N 3.33Å; T288-A292 WeakPolarHBondContact O-CB 3.12Å; T288-A292 PolarHBondContact O-N 3.32Å |
| 289 | W | 93.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.6 | -47.3 | 177.3 | -70.4 | 87.4 | 0 | 0 | 0 | 112.1 | F221 V241 I244 I249 L252 M274 V286 D287 A292 L293 | F221-W289 HydrophobicContact CE2-CE3 4.27Å; F221-W289 HydrophobicContact CE2-CH2 4.19Å; F221-W289 AromaticContact CE2-CZ3 3.48Å; F221-W289 HydrophobicContact CE2-CZ3 3.48Å; F221-W289 VanDerWaalsContact CE2-CZ3 3.48Å; F221-W289 HydrophobicContact CZ-CE3 4.05Å; F221-W289 AromaticContact CZ-CZ3 3.6Å; F221-W289 HydrophobicContact CZ-CZ3 3.6Å; V241-W289 HydrophobicContact CB-CD2 4.48Å; V241-W289 HydrophobicContact CB-CZ2 3.82Å; V241-W289 HydrophobicContact CG1-CZ2 4Å; V241-W289 PolarHBondContact O-NE1 3.14Å; I244-W289 HydrophobicContact CB-CZ2 3.71Å; I244-W289 HydrophobicContact CG1-CZ2 3.89Å; I244-W289 HydrophobicContact CG2-CH2 4.13Å; I244-W289 HydrophobicContact CG2-CZ2 3.8Å; I249-W289 HydrophobicContact CB-CE3 4.36Å; I249-W289 HydrophobicContact CB-CH2 4.4Å; I249-W289 HydrophobicContact CB-CZ3 4.23Å; I249-W289 HydrophobicContact CD1-CD2 3.97Å; I249-W289 HydrophobicContact CD1-CG 4.27Å; I249-W289 HydrophobicContact CD1-CZ2 3.98Å; I249-W289 HydrophobicContact CG1-CD2 4.01Å; I249-W289 HydrophobicContact CG1-CE3 4.21Å; I249-W289 HydrophobicContact CG1-CH2 3.79Å; I249-W289 HydrophobicContact CG1-CZ2 3.58Å; I249-W289 HydrophobicContact CG1-CZ3 4.06Å; I249-W289 HydrophobicContact CG2-CD2 3.9Å; I249-W289 HydrophobicContact CG2-CE3 3.66Å; I249-W289 HydrophobicContact CG2-CG 4.44Å; I249-W289 HydrophobicContact CG2-CZ3 3.96Å; L252-W289 HydrophobicContact CD1-CH2 4.03Å; L252-W289 HydrophobicContact CD1-CZ3 4.23Å; M274-W289 HydrophobicContact CE-CE3 4.47Å; M274-W289 HydrophobicContact SD-CB 4.44Å; V286-W289 WeakPolarHBondContact O-CB 3.44Å; V286-W289 PolarHBondContact O-N 2.93Å; D287-W289 VanDerWaalsContact C-N 3.3Å; D287-W289 PolarHBondContact O-N 3.03Å; W289-A292 PolarHBondContact O-N 3.37Å; W289-L293 PolarHBondContact O-N 3.07Å |
| 290 | V | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -49.8 | -179.2 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | M274 I275 V286 D287 A292 L293 L294 V333 | M274-V290 HydrophobicContact CB-CG2 4.05Å; M274-V290 WeakPolarHBondContact O-CG2 3.5Å; I275-V290 HydrophobicContact CG1-CG1 3.73Å; I275-V290 HydrophobicContact CG1-CG2 4.31Å; V286-V290 HydrophobicContact CG1-CG2 4.04Å; V286-V290 PolarHBondContact O-N 2.74Å; V286-V290 VanDerWaalsContact O-N 3.08Å; D287-V290 PolarHBondContact O-N 3.14Å; V290-A292 PolarHBondContact O-N 2.91Å; V290-L293 PolarHBondContact O-N 2.82Å; V290-L294 HydrophobicContact CG1-CD1 3.84Å; V290-L294 HydrophobicContact CG1-CG 4.3Å; V290-L294 VanDerWaalsContact O-CG 3.28Å; V290-L294 WeakPolarHBondContact O-CG 3.33Å; V290-L294 PolarHBondContact O-N 3.4Å; V290-V333 HydrophobicContact CB-CG2 3.99Å; V290-V333 HydrophobicContact CG1-CG1 3.72Å; V290-V333 HydrophobicContact CG1-CG2 3.93Å |
| 291 | I | 93 | Very high | 89.7 | Confident | 27 Ų | 27 | 42.4 Ų | 42.4 | 14% | 0.138 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 179.9 | -65 | 168 | 0 | 0 | 0 | 110.9 | D287 L293 L294 K295 V333 H336 | D287-I291 HydrophobicContact CB-CD1 4.43Å; D287-I291 VanDerWaalsContact O-CB 3.31Å; D287-I291 WeakPolarHBondContact O-CB 3.32Å; D287-I291 VanDerWaalsContact O-CG1 3.25Å; D287-I291 WeakPolarHBondContact O-CG1 3.41Å; D287-I291 PolarHBondContact O-N 3.27Å; I291-L293 VanDerWaalsContact C-N 3.32Å; I291-L293 PolarHBondContact O-N 2.85Å; I291-L294 PolarHBondContact O-N 3.15Å; I291-K295 HydrophobicContact CG2-CD 4Å; I291-K295 HydrophobicContact CG2-CG 4.31Å; I291-K295 WeakPolarHBondContact O-CB 3.48Å; I291-K295 WeakPolarHBondContact O-CG 3.45Å; I291-K295 PolarHBondContact O-N 3.39Å; I291-V333 HydrophobicContact CD1-CG2 4.48Å; I291-V333 HydrophobicContact CG1-CG2 4.24Å; I291-H336 HydrophobicContact CG1-CB 4.38Å |
| 292 | A | 92.3 | Very high | 89.6 | Confident | 26 Ų | 26 | 42 Ų | 42 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I249 I253 T288 W289 V290 G296 | I249-A292 HydrophobicContact CG2-CB 4.03Å; I253-A292 HydrophobicContact CG1-CB 4.17Å; T288-A292 WeakPolarHBondContact O-CB 3.12Å; T288-A292 PolarHBondContact O-N 3.32Å; W289-A292 PolarHBondContact O-N 3.37Å; V290-A292 PolarHBondContact O-N 2.91Å; A292-G296 PolarHBondContact O-N 2.62Å |
| 293 | L | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.6 | -41.8 | 176.6 | -173.5 | 53.6 | 0 | 0 | 0 | 112.4 | I253 L256 T257 L271 M274 W289 V290 I291 K295 G296 L297 | I253-L293 HydrophobicContact CD1-CB 3.86Å; I253-L293 HydrophobicContact CD1-CD1 4.07Å; I253-L293 HydrophobicContact CD1-CG 4.4Å; I253-L293 HydrophobicContact CG2-CD1 4.22Å; L256-L293 HydrophobicContact CD2-CD1 3.92Å; T257-L293 HydrophobicContact CG2-CD1 3.89Å; L271-L293 HydrophobicContact CB-CD2 3.85Å; L271-L293 HydrophobicContact CD1-CB 4.33Å; L271-L293 HydrophobicContact CD1-CD2 3.92Å; L271-L293 HydrophobicContact CD1-CG 4.07Å; M274-L293 HydrophobicContact CE-CD2 4.23Å; M274-L293 HydrophobicContact SD-CB 4.26Å; M274-L293 HydrophobicContact SD-CD2 3.57Å; M274-L293 VanDerWaalsContact SD-CD2 3.57Å; W289-L293 PolarHBondContact O-N 3.07Å; V290-L293 PolarHBondContact O-N 2.82Å; I291-L293 VanDerWaalsContact C-N 3.32Å; I291-L293 PolarHBondContact O-N 2.85Å; L293-K295 VanDerWaalsContact C-N 3.34Å; L293-K295 PolarHBondContact O-N 3.08Å; L293-G296 PolarHBondContact O-N 3.13Å; L293-L297 HydrophobicContact CD1-CD1 4.16Å; L293-L297 HydrophobicContact CD1-CG 4.02Å; L293-L297 HydrophobicContact CG-CD1 4.03Å; L293-L297 HydrophobicContact CG-CG 4.37Å; L293-L297 WeakPolarHBondContact O-CB 3.22Å; L293-L297 WeakPolarHBondContact O-CG 3.36Å; L293-L297 PolarHBondContact O-N 3.04Å |
| 294 | L | 93.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.4 | -46.9 | 175.4 | -70.2 | 170.9 | 0 | 0 | 0 | 110.9 | L271 V290 I291 A298 L306 M337 | L271-L294 HydrophobicContact CD1-CD2 3.71Å; L271-L294 HydrophobicContact CD1-CG 4Å; L271-L294 HydrophobicContact CD2-CD2 3.8Å; L271-L294 HydrophobicContact CG-CD2 4.35Å; V290-L294 HydrophobicContact CG1-CD1 3.84Å; V290-L294 HydrophobicContact CG1-CG 4.3Å; V290-L294 VanDerWaalsContact O-CG 3.28Å; V290-L294 WeakPolarHBondContact O-CG 3.33Å; V290-L294 PolarHBondContact O-N 3.4Å; I291-L294 PolarHBondContact O-N 3.15Å; L294-A298 WeakPolarHBondContact O-CB 3.4Å; L294-A298 PolarHBondContact O-N 3.22Å; L294-L306 HydrophobicContact CB-CD2 4.29Å; L294-L306 HydrophobicContact CD2-CD2 3.38Å; L294-L306 HydrophobicContact CG-CD2 4.43Å; L294-M337 HydrophobicContact CD1-CE 4.2Å; L294-M337 HydrophobicContact CD1-CG 4.18Å |
| 295 | K | 90.3 | Very high | 89.6 | Confident | 125 Ų | 125 | 40 Ų | 40 | 54% | 0.543 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64 | -41.4 | 174.4 | -72.1 | 178.3 | 177.9 | 179.7 | 0 | 112.4 | I291 L293 A298 A299 | I291-K295 HydrophobicContact CG2-CD 4Å; I291-K295 HydrophobicContact CG2-CG 4.31Å; I291-K295 WeakPolarHBondContact O-CB 3.48Å; I291-K295 WeakPolarHBondContact O-CG 3.45Å; I291-K295 PolarHBondContact O-N 3.39Å; L293-K295 VanDerWaalsContact C-N 3.34Å; L293-K295 PolarHBondContact O-N 3.08Å; K295-A298 PolarHBondContact O-N 3Å; K295-A299 WeakPolarHBondContact O-CB 3.41Å; K295-A299 PolarHBondContact O-N 3.03Å |
| 296 | G | 89.4 | Confident | 89.6 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 13% | 0.134 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A292 L293 A298 A299 V300 | A292-G296 PolarHBondContact O-N 2.62Å; L293-G296 PolarHBondContact O-N 3.13Å; G296-A298 VanDerWaalsContact C-N 3.35Å; G296-A298 PolarHBondContact O-N 3.27Å; G296-A299 WeakPolarHBondContact O-CB 3.36Å; G296-A299 PolarHBondContact O-N 3.27Å; G296-V300 WeakPolarHBondContact O-CG2 3.45Å; G296-V300 PolarHBondContact O-N 3Å; G296-V300 VanDerWaalsContact O-N 3.16Å |
| 297 | L | 89.7 | Confident | 89.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -37.2 | 176.2 | -72.5 | 171.2 | 0 | 0 | 0 | 112.3 | T257 M267 L271 L293 A299 V300 Q301 K302 I305 L306 | T257-L297 HydrophobicContact CG2-CD2 4.11Å; T257-L297 HydrophobicContact CG2-CG 4.3Å; M267-L297 HydrophobicContact CB-CD2 4.1Å; M267-L297 HydrophobicContact CG-CD2 4.4Å; M267-L297 HydrophobicContact SD-CD2 3.68Å; L271-L297 HydrophobicContact CB-CD1 4.4Å; L271-L297 HydrophobicContact CD2-CD1 3.88Å; L293-L297 HydrophobicContact CD1-CD1 4.16Å; L293-L297 HydrophobicContact CD1-CG 4.02Å; L293-L297 HydrophobicContact CG-CD1 4.03Å; L293-L297 HydrophobicContact CG-CG 4.37Å; L293-L297 WeakPolarHBondContact O-CB 3.22Å; L293-L297 WeakPolarHBondContact O-CG 3.36Å; L293-L297 PolarHBondContact O-N 3.04Å; L297-A299 VanDerWaalsContact C-N 3.35Å; L297-V300 CarbonylContact O-C 3.59Å; L297-V300 WeakPolarHBondContact O-CG2 3.21Å; L297-V300 PolarHBondContact O-N 2.98Å; L297-Q301 PolarHBondContact O-N 3.33Å; L297-Q301 VanDerWaalsContact O-N 3.17Å; L297-K302 HydrophobicContact CB-CB 4.3Å; L297-K302 HydrophobicContact CD2-CB 4.03Å; L297-K302 HydrophobicContact CD2-CG 4.23Å; L297-K302 PolarHBondContact O-N 3.41Å; L297-I305 HydrophobicContact CD1-CG2 4.28Å; L297-L306 HydrophobicContact CB-CD1 4.23Å; L297-L306 HydrophobicContact CB-CD2 3.9Å; L297-L306 HydrophobicContact CB-CG 4.08Å; L297-L306 HydrophobicContact CD1-CD2 4.11Å |
| 298 | A | 86.4 | Confident | 89 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | L294 K295 G296 V300 Q301 F303 L306 W422 | L294-A298 WeakPolarHBondContact O-CB 3.4Å; L294-A298 PolarHBondContact O-N 3.22Å; K295-A298 PolarHBondContact O-N 3Å; G296-A298 VanDerWaalsContact C-N 3.35Å; G296-A298 PolarHBondContact O-N 3.27Å; A298-V300 VanDerWaalsContact C-N 3.29Å; A298-V300 PolarHBondContact O-N 2.88Å; A298-Q301 WeakPolarHBondContact O-CA 3.2Å; A298-Q301 PolarHBondContact O-N 3.29Å; A298-F303 HydrophobicContact CB-CE1 4.23Å; A298-L306 HydrophobicContact CB-CD1 3.89Å; A298-W422 HydrophobicContact CB-CG 4.21Å |
| 299 | A | 86.3 | Confident | 89 | Confident | 82 Ų | 82 | 38.4 Ų | 38.4 | 68% | 0.678 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -63 | -33.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K295 G296 L297 Q301 | K295-A299 WeakPolarHBondContact O-CB 3.41Å; K295-A299 PolarHBondContact O-N 3.03Å; G296-A299 WeakPolarHBondContact O-CB 3.36Å; G296-A299 PolarHBondContact O-N 3.27Å; L297-A299 VanDerWaalsContact C-N 3.35Å; A299-Q301 VanDerWaalsContact C-N 3.3Å |
| 300 | V | 85.8 | Confident | 88.9 | Confident | 49 Ų | 49 | 38.3 Ų | 38.3 | 30% | 0.297 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 15.5 | 172.9 | -61 | 0 | 0 | 0 | 0 | 113.5 | G296 L297 A298 K302 | G296-V300 WeakPolarHBondContact O-CG2 3.45Å; G296-V300 PolarHBondContact O-N 3Å; G296-V300 VanDerWaalsContact O-N 3.16Å; L297-V300 CarbonylContact O-C 3.59Å; L297-V300 WeakPolarHBondContact O-CG2 3.21Å; L297-V300 PolarHBondContact O-N 2.98Å; A298-V300 VanDerWaalsContact C-N 3.29Å; A298-V300 PolarHBondContact O-N 2.88Å; V300-K302 VanDerWaalsContact C-N 3.28Å; V300-K302 HydrophobicContact CG2-CB 4.44Å; V300-K302 HydrophobicContact CG2-CG 3.74Å; V300-K302 PolarHBondContact O-N 3.28Å |
| 301 | Q | 83.8 | Confident | 88.7 | Confident | 142 Ų | 142 | 40.2 Ų | 40.2 | 66% | 0.664 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 29.7 | 174.2 | -56.1 | -179.5 | -7.7 | 0 | 0 | 115.1 | L297 A298 A299 F303 | L297-Q301 PolarHBondContact O-N 3.33Å; L297-Q301 VanDerWaalsContact O-N 3.17Å; A298-Q301 WeakPolarHBondContact O-CA 3.2Å; A298-Q301 PolarHBondContact O-N 3.29Å; A299-Q301 VanDerWaalsContact C-N 3.3Å; Q301-F303 HydrophobicContact CB-CD2 4.37Å; Q301-F303 HydrophobicContact CB-CE2 3.75Å; Q301-F303 HydrophobicContact CB-CZ 4.21Å; Q301-F303 HydrophobicContact CG-CE2 4.07Å; Q301-F303 HydrophobicContact CG-CZ 4.26Å; Q301-F303 PolarHBondContact O-N 3.31Å |
| 302 | K | 84.6 | Confident | 88.8 | Confident | 60 Ų | 60 | 44.9 Ų | 44.9 | 26% | 0.261 | 25% | 0.248 | S | C | . | . | trans | -84.3 | 52.8 | 177.1 | -65.6 | -66.6 | -171.4 | 176.5 | 0 | 112.3 | D264 L297 V300 T304 I305 L306 | D264-K302 WeakPolarHBondContact OD1-CE 3.42Å; D264-K302 IonicContact OD1-NZ 3.98Å; D264-K302 PolarHBondContact OD1-NZ 2.93Å; D264-K302 IonicContact OD2-NZ 2.79Å; D264-K302 PolarHBondContact OD2-NZ 3.4Å; L297-K302 HydrophobicContact CB-CB 4.3Å; L297-K302 HydrophobicContact CD2-CB 4.03Å; L297-K302 HydrophobicContact CD2-CG 4.23Å; L297-K302 PolarHBondContact O-N 3.41Å; V300-K302 VanDerWaalsContact C-N 3.28Å; V300-K302 HydrophobicContact CG2-CB 4.44Å; V300-K302 HydrophobicContact CG2-CG 3.74Å; V300-K302 PolarHBondContact O-N 3.28Å; K302-T304 PolarHBondContact O-N 3.07Å; K302-I305 HydrophobicContact CB-CD1 4.14Å; K302-I305 HydrophobicContact CB-CG1 4.49Å; K302-I305 HydrophobicContact CD-CD1 4.33Å; K302-I305 HydrophobicContact CG-CD1 4.43Å; K302-I305 PolarHBondContact O-N 3.39Å; K302-L306 PolarHBondContact O-N 3.32Å | ||
| 303 | F | 83.8 | Confident | 89 | Confident | 51 Ų | 51 | 45.2 Ų | 45.2 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -33.7 | -173.1 | -56.8 | -60.6 | 0 | 0 | 0 | 114 | A298 Q301 I305 L306 I307 W422 T423 | A298-F303 HydrophobicContact CB-CE1 4.23Å; Q301-F303 HydrophobicContact CB-CD2 4.37Å; Q301-F303 HydrophobicContact CB-CE2 3.75Å; Q301-F303 HydrophobicContact CB-CZ 4.21Å; Q301-F303 HydrophobicContact CG-CE2 4.07Å; Q301-F303 HydrophobicContact CG-CZ 4.26Å; Q301-F303 PolarHBondContact O-N 3.31Å; F303-I305 VanDerWaalsContact C-N 3.34Å; F303-I305 PolarHBondContact O-N 2.9Å; F303-L306 HydrophobicContact CD1-CD1 4.14Å; F303-L306 WeakPolarHBondContact O-CB 3.4Å; F303-L306 PolarHBondContact O-N 2.88Å; F303-L306 VanDerWaalsContact O-N 3.17Å; F303-I307 VanDerWaalsContact O-CG1 3.23Å; F303-I307 WeakPolarHBondContact O-CG1 3.42Å; F303-I307 PolarHBondContact O-N 3.33Å; F303-W422 HydrophobicContact CD1-CB 4.08Å; F303-W422 HydrophobicContact CD1-CE3 4.5Å; F303-W422 HydrophobicContact CD1-CG 4.47Å; F303-W422 HydrophobicContact CE1-CB 3.85Å; F303-W422 HydrophobicContact CE1-CG 4.47Å; F303-T423 HydrophobicContact CE1-CG2 3.77Å; F303-T423 HydrophobicContact CE2-CG2 3.91Å; F303-T423 HydrophobicContact CZ-CG2 3.22Å |
| 304 | T | 84.1 | Confident | 89.1 | Confident | 75 Ų | 75 | 45.2 Ų | 45.2 | 46% | 0.46 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 177.6 | -48.5 | 0 | 0 | 0 | 0 | 111.8 | K302 L306 I307 D308 | K302-T304 PolarHBondContact O-N 3.07Å; T304-L306 VanDerWaalsContact C-N 3.3Å; T304-L306 PolarHBondContact O-N 3.33Å; T304-I307 PolarHBondContact O-N 2.9Å; T304-D308 WeakPolarHBondContact O-CB 3.46Å; T304-D308 VanDerWaalsContact O-CG 3.27Å; T304-D308 PolarHBondContact O-N 3.23Å |
| 305 | I | 88.8 | Confident | 89.3 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -45 | 176.1 | -59.6 | -179.9 | 0 | 0 | 0 | 110.2 | D264 M267 T268 L271 L297 K302 F303 V309 | D264-I305 HydrophobicContact CB-CD1 3.93Å; M267-I305 HydrophobicContact CB-CD1 4.11Å; T268-I305 HydrophobicContact CG2-CG2 4.47Å; T268-I305 WeakPolarHBondContact OG1-CG2 3.5Å; L271-I305 HydrophobicContact CD2-CG2 4.41Å; L297-I305 HydrophobicContact CD1-CG2 4.28Å; K302-I305 HydrophobicContact CB-CD1 4.14Å; K302-I305 HydrophobicContact CB-CG1 4.49Å; K302-I305 HydrophobicContact CD-CD1 4.33Å; K302-I305 HydrophobicContact CG-CD1 4.43Å; K302-I305 PolarHBondContact O-N 3.39Å; F303-I305 VanDerWaalsContact C-N 3.34Å; F303-I305 PolarHBondContact O-N 2.9Å; I305-V309 HydrophobicContact CG2-CG2 4.21Å; I305-V309 VanDerWaalsContact O-CB 3.31Å; I305-V309 WeakPolarHBondContact O-CB 3.44Å; I305-V309 VanDerWaalsContact O-CG2 3.24Å; I305-V309 WeakPolarHBondContact O-CG2 3.47Å; I305-V309 PolarHBondContact O-N 2.84Å |
| 306 | L | 89.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | -179.6 | -68.5 | 172.2 | 0 | 0 | 0 | 112.1 | L271 L294 L297 A298 K302 F303 T304 T310 W422 | L271-L306 HydrophobicContact CD2-CD2 4.24Å; L294-L306 HydrophobicContact CB-CD2 4.29Å; L294-L306 HydrophobicContact CD2-CD2 3.38Å; L294-L306 HydrophobicContact CG-CD2 4.43Å; L297-L306 HydrophobicContact CB-CD1 4.23Å; L297-L306 HydrophobicContact CB-CD2 3.9Å; L297-L306 HydrophobicContact CB-CG 4.08Å; L297-L306 HydrophobicContact CD1-CD2 4.11Å; A298-L306 HydrophobicContact CB-CD1 3.89Å; K302-L306 PolarHBondContact O-N 3.32Å; F303-L306 HydrophobicContact CD1-CD1 4.14Å; F303-L306 WeakPolarHBondContact O-CB 3.4Å; F303-L306 PolarHBondContact O-N 2.88Å; F303-L306 VanDerWaalsContact O-N 3.17Å; T304-L306 VanDerWaalsContact C-N 3.3Å; T304-L306 PolarHBondContact O-N 3.33Å; L306-T310 WeakPolarHBondContact O-CB 3.36Å; L306-T310 PolarHBondContact O-N 3.12Å; L306-T310 PolarHBondContact O-OG1 3.46Å; L306-W422 HydrophobicContact CB-CD2 4.42Å; L306-W422 HydrophobicContact CB-CE3 4.08Å; L306-W422 HydrophobicContact CB-CH2 3.46Å; L306-W422 VanDerWaalsContact CB-CH2 3.46Å; L306-W422 HydrophobicContact CB-CZ2 3.77Å; L306-W422 HydrophobicContact CB-CZ3 3.58Å; L306-W422 HydrophobicContact CD1-CD2 3.88Å; L306-W422 HydrophobicContact CD1-CE3 4.21Å; L306-W422 HydrophobicContact CD1-CG 4.37Å; L306-W422 HydrophobicContact CD1-CZ2 4.15Å; L306-W422 HydrophobicContact CD2-CZ2 4.1Å; L306-W422 HydrophobicContact CG-CH2 4.4Å; L306-W422 HydrophobicContact CG-CZ2 4.25Å |
| 307 | I | 84.9 | Confident | 89.9 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 17% | 0.174 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -54.4 | 177.7 | -68.7 | 169.8 | 0 | 0 | 0 | 110.2 | F303 T304 V309 T310 L311 F341 W422 | F303-I307 VanDerWaalsContact O-CG1 3.23Å; F303-I307 WeakPolarHBondContact O-CG1 3.42Å; F303-I307 PolarHBondContact O-N 3.33Å; T304-I307 PolarHBondContact O-N 2.9Å; I307-V309 PolarHBondContact O-N 3.21Å; I307-T310 PolarHBondContact O-N 2.93Å; I307-L311 HydrophobicContact CG2-CD1 4.22Å; I307-L311 PolarHBondContact O-N 3.31Å; I307-F341 HydrophobicContact CB-CE2 4.18Å; I307-F341 HydrophobicContact CG1-CE2 4.25Å; I307-F341 HydrophobicContact CG2-CE2 3.76Å; I307-F341 HydrophobicContact CG2-CZ 4.24Å; I307-W422 HydrophobicContact CG1-CZ3 4.18Å |
| 308 | D | 87.4 | Confident | 90.2 | Very high | 94 Ų | 94 | 44.8 Ų | 44.8 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.7 | -44.4 | -175.1 | -69.2 | -15.5 | 0 | 0 | 0 | 111.6 | T304 L312 | T304-D308 WeakPolarHBondContact O-CB 3.46Å; T304-D308 VanDerWaalsContact O-CG 3.27Å; T304-D308 PolarHBondContact O-N 3.23Å; D308-L312 VanDerWaalsContact O-CB 3.3Å; D308-L312 WeakPolarHBondContact O-CB 3.38Å; D308-L312 PolarHBondContact O-N 2.89Å |
| 309 | V | 92.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.8 | -35.1 | 178.6 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | T268 L271 I275 I305 I307 L312 K313 | T268-V309 HydrophobicContact CG2-CG2 3.68Å; L271-V309 HydrophobicContact CD2-CB 3.87Å; L271-V309 HydrophobicContact CD2-CG1 3.78Å; L271-V309 HydrophobicContact CD2-CG2 4.12Å; L271-V309 HydrophobicContact CG-CB 4.47Å; L271-V309 HydrophobicContact CG-CG1 3.87Å; I275-V309 HydrophobicContact CD1-CG1 3.51Å; I305-V309 HydrophobicContact CG2-CG2 4.21Å; I305-V309 VanDerWaalsContact O-CB 3.31Å; I305-V309 WeakPolarHBondContact O-CB 3.44Å; I305-V309 VanDerWaalsContact O-CG2 3.24Å; I305-V309 WeakPolarHBondContact O-CG2 3.47Å; I305-V309 PolarHBondContact O-N 2.84Å; I307-V309 PolarHBondContact O-N 3.21Å; V309-L312 PolarHBondContact O-N 3.38Å; V309-K313 HydrophobicContact CG1-CG 4.2Å; V309-K313 WeakPolarHBondContact O-CB 3.04Å; V309-K313 PolarHBondContact O-N 3.27Å |
| 310 | T | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -52.4 | 174.9 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | L306 I307 L312 K313 I314 M337 F341 A347 | L306-T310 WeakPolarHBondContact O-CB 3.36Å; L306-T310 PolarHBondContact O-N 3.12Å; L306-T310 PolarHBondContact O-OG1 3.46Å; I307-T310 PolarHBondContact O-N 2.93Å; T310-L312 PolarHBondContact O-N 3.1Å; T310-K313 PolarHBondContact O-N 3.24Å; T310-I314 HydrophobicContact CG2-CB 4.48Å; T310-I314 HydrophobicContact CG2-CD1 4.15Å; T310-I314 WeakPolarHBondContact O-CB 3.44Å; T310-I314 WeakPolarHBondContact O-CG2 3.36Å; T310-I314 PolarHBondContact O-N 3.5Å; T310-M337 HydrophobicContact CG2-CB 4Å; T310-M337 HydrophobicContact CG2-CG 4.33Å; T310-M337 HydrophobicContact CG2-SD 4.46Å; T310-F341 HydrophobicContact CG2-CD2 3.86Å; T310-F341 HydrophobicContact CG2-CE2 4.43Å; T310-F341 HydrophobicContact CG2-CG 4.46Å; T310-A347 HydrophobicContact CG2-CB 4.17Å |
| 311 | L | 91.1 | Very high | 91.5 | Very high | 40 Ų | 40 | 42.8 Ų | 42.8 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.1 | -37.1 | 177.9 | -69.3 | 174.4 | 0 | 0 | 0 | 112.2 | I307 F341 E346 A347 L350 | I307-L311 HydrophobicContact CG2-CD1 4.22Å; I307-L311 PolarHBondContact O-N 3.31Å; L311-F341 HydrophobicContact CD1-CE2 4.42Å; L311-F341 HydrophobicContact CD1-CZ 4.2Å; L311-F341 HydrophobicContact CD2-CE2 4.15Å; L311-F341 HydrophobicContact CD2-CZ 3.76Å; L311-F341 HydrophobicContact CG-CE2 3.95Å; L311-F341 HydrophobicContact CG-CZ 3.94Å; L311-E346 HydrophobicContact CD2-CB 4.11Å; L311-E346 HydrophobicContact CD2-CG 3.76Å; L311-A347 HydrophobicContact CD2-CB 4Å; L311-L350 HydrophobicContact CD2-CD1 4.31Å |
| 312 | L | 94.1 | Very high | 91.9 | Very high | 125 Ų | 125 | 40.4 Ų | 40.4 | 65% | 0.654 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -71 | -34.7 | 179 | -177.3 | 63.7 | 0 | 0 | 0 | 113.9 | D308 V309 T310 | D308-L312 VanDerWaalsContact O-CB 3.3Å; D308-L312 WeakPolarHBondContact O-CB 3.38Å; D308-L312 PolarHBondContact O-N 2.89Å; V309-L312 PolarHBondContact O-N 3.38Å; T310-L312 PolarHBondContact O-N 3.1Å |
| 313 | K | 96.3 | Very high | 92.3 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 14% | 0.143 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -114.6 | -10.6 | -167.1 | -66 | -64.5 | -169.5 | 171 | 0 | 115.1 | S272 I275 D276 V309 T310 E315 M316 V317 | S272-K313 WeakPolarHBondContact OG-CE 3.48Å; I275-K313 HydrophobicContact CD1-CB 4.36Å; I275-K313 HydrophobicContact CD1-CG 4.45Å; I275-K313 HydrophobicContact CG2-CB 3.8Å; I275-K313 HydrophobicContact CG2-CG 4.16Å; D276-K313 WeakPolarHBondContact OD1-CE 3.49Å; D276-K313 IonicContact OD1-NZ 2.68Å; D276-K313 PolarHBondContact OD1-NZ 2.78Å; D276-K313 IonicContact OD2-NZ 3.61Å; D276-K313 PolarHBondContact OD2-NZ 2.89Å; V309-K313 HydrophobicContact CG1-CG 4.2Å; V309-K313 WeakPolarHBondContact O-CB 3.04Å; V309-K313 PolarHBondContact O-N 3.27Å; T310-K313 PolarHBondContact O-N 3.24Å; K313-E315 VanDerWaalsContact C-N 3.35Å; K313-E315 PolarHBondContact O-N 3.32Å; K313-M316 HydrophobicContact CD-SD 4.33Å; K313-M316 WeakPolarHBondContact O-CB 3.41Å; K313-M316 PolarHBondContact O-N 2.89Å; K313-V317 WeakPolarHBondContact O-CG2 3.45Å; K313-V317 PolarHBondContact O-N 3Å |
| 314 | I | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61 | -38.6 | -171.3 | -164.5 | 164.4 | 0 | 0 | 0 | 113.8 | T310 M316 V317 F318 L334 L338 A347 L350 V351 | T310-I314 HydrophobicContact CG2-CB 4.48Å; T310-I314 HydrophobicContact CG2-CD1 4.15Å; T310-I314 WeakPolarHBondContact O-CB 3.44Å; T310-I314 WeakPolarHBondContact O-CG2 3.36Å; T310-I314 PolarHBondContact O-N 3.5Å; I314-M316 VanDerWaalsContact C-N 3.34Å; I314-M316 PolarHBondContact O-N 3.34Å; I314-V317 PolarHBondContact O-N 3.48Å; I314-F318 WeakPolarHBondContact O-CB 3.41Å; I314-F318 PolarHBondContact O-N 2.94Å; I314-L334 HydrophobicContact CD1-CD1 4.01Å; I314-L334 HydrophobicContact CG1-CD1 3.63Å; I314-L338 HydrophobicContact CD1-CD2 3.43Å; I314-L338 VanDerWaalsContact CD1-CD2 3.43Å; I314-L338 HydrophobicContact CD1-CG 3.89Å; I314-A347 HydrophobicContact CD1-CB 3.9Å; I314-L350 HydrophobicContact CG2-CB 4.15Å; I314-L350 HydrophobicContact CG2-CD1 3.9Å; I314-V351 HydrophobicContact CD1-CG1 4.31Å; I314-V351 HydrophobicContact CG1-CG1 3.84Å; I314-V351 HydrophobicContact CG2-CG1 4.43Å |
| 315 | E | 96.3 | Very high | 92.7 | Very high | 89 Ų | 89 | 46.5 Ų | 46.5 | 42% | 0.416 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.5 | -39.5 | 175.1 | -66.8 | -177.6 | 98.6 | 0 | 0 | 111.7 | K313 F318 N319 L350 | K313-E315 VanDerWaalsContact C-N 3.35Å; K313-E315 PolarHBondContact O-N 3.32Å; E315-F318 WeakPolarHBondContact O-CB 3.42Å; E315-F318 PolarHBondContact O-N 3.41Å; E315-N319 WeakPolarHBondContact O-CB 3.43Å; E315-N319 VanDerWaalsContact O-CG 3.27Å; E315-N319 PolarHBondContact O-N 2.95Å; E315-N319 PolarHBondContact O-ND2 2.96Å; E315-N319 VanDerWaalsContact O-ND2 3.1Å; E315-L350 HydrophobicContact CG-CB 3.96Å |
| 316 | M | 95.6 | Very high | 92.9 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 19% | 0.192 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 176.3 | -172.6 | -154.2 | 75.4 | 0 | 0 | 110.9 | I275 K313 I314 F318 N319 R320 | I275-M316 HydrophobicContact CG2-CE 3.41Å; I275-M316 VanDerWaalsContact CG2-CE 3.41Å; I275-M316 WeakPolarHBondContact O-CE 3.27Å; K313-M316 HydrophobicContact CD-SD 4.33Å; K313-M316 WeakPolarHBondContact O-CB 3.41Å; K313-M316 PolarHBondContact O-N 2.89Å; I314-M316 VanDerWaalsContact C-N 3.34Å; I314-M316 PolarHBondContact O-N 3.34Å; M316-F318 VanDerWaalsContact C-N 3.33Å; M316-F318 PolarHBondContact O-N 3.19Å; M316-N319 PolarHBondContact O-N 3.46Å; M316-R320 WeakPolarHBondContact O-CG 3.48Å; M316-R320 PolarHBondContact O-N 3.33Å |
| 317 | V | 97 | Very high | 93 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | I275 L278 K313 I314 N319 R320 V333 L334 M337 | I275-V317 HydrophobicContact CG2-CG2 3.54Å; L278-V317 HydrophobicContact CD1-CG1 4.21Å; L278-V317 HydrophobicContact CD1-CG2 4.07Å; K313-V317 WeakPolarHBondContact O-CG2 3.45Å; K313-V317 PolarHBondContact O-N 3Å; I314-V317 PolarHBondContact O-N 3.48Å; V317-N319 VanDerWaalsContact C-N 3.33Å; V317-N319 PolarHBondContact O-N 3.05Å; V317-R320 WeakPolarHBondContact O-CB 3.36Å; V317-R320 PolarHBondContact O-N 2.87Å; V317-V333 HydrophobicContact CG1-CB 4.24Å; V317-V333 HydrophobicContact CG1-CG1 4.05Å; V317-V333 HydrophobicContact CG2-CG1 4.33Å; V317-L334 HydrophobicContact CG1-CB 4Å; V317-M337 HydrophobicContact CG2-CE 4.44Å; V317-M337 HydrophobicContact CG2-SD 4.29Å |
| 318 | F | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 176.1 | -169.4 | -78.8 | 0 | 0 | 0 | 111.8 | I314 E315 M316 R320 L321 L334 V351 L354 V355 L358 F377 | I314-F318 WeakPolarHBondContact O-CB 3.41Å; I314-F318 PolarHBondContact O-N 2.94Å; E315-F318 WeakPolarHBondContact O-CB 3.42Å; E315-F318 PolarHBondContact O-N 3.41Å; M316-F318 VanDerWaalsContact C-N 3.33Å; M316-F318 PolarHBondContact O-N 3.19Å; F318-R320 PolarHBondContact O-N 3.47Å; F318-R320 VanDerWaalsContact O-N 3.1Å; F318-L321 HydrophobicContact CD2-CD1 3.94Å; F318-L321 HydrophobicContact CE2-CD1 4Å; F318-L321 HydrophobicContact CG-CD1 4.21Å; F318-L321 HydrophobicContact CZ-CD1 4.26Å; F318-L321 VanDerWaalsContact O-CB 3.22Å; F318-L321 WeakPolarHBondContact O-CB 3.4Å; F318-L321 WeakPolarHBondContact O-CG 3.47Å; F318-L321 PolarHBondContact O-N 2.97Å; F318-L334 HydrophobicContact CD2-CD2 3.75Å; F318-L334 HydrophobicContact CE2-CD2 4.33Å; F318-V351 HydrophobicContact CB-CG1 3.89Å; F318-V351 HydrophobicContact CD2-CB 3.58Å; F318-V351 HydrophobicContact CD2-CG1 3.74Å; F318-V351 HydrophobicContact CD2-CG2 4.38Å; F318-V351 HydrophobicContact CE2-CB 4.04Å; F318-V351 HydrophobicContact CG-CB 4.16Å; F318-V351 HydrophobicContact CG-CG1 4.05Å; F318-L354 HydrophobicContact CB-CD1 4.45Å; F318-L354 HydrophobicContact CD1-CB 3.52Å; F318-L354 HydrophobicContact CD1-CD1 3.71Å; F318-L354 HydrophobicContact CD1-CG 4.27Å; F318-L354 HydrophobicContact CE1-CB 3.25Å; F318-L354 HydrophobicContact CE1-CD1 4.35Å; F318-L354 HydrophobicContact CE1-CG 4.44Å; F318-L354 WeakPolarHBondContact CE1-O 3.47Å; F318-L354 HydrophobicContact CG-CB 4.4Å; F318-L354 HydrophobicContact CG-CD1 4.22Å; F318-L354 HydrophobicContact CZ-CB 3.93Å; F318-V355 HydrophobicContact CE2-CG2 4.02Å; F318-V355 HydrophobicContact CZ-CG2 4.09Å; F318-L358 HydrophobicContact CE1-CB 4.42Å; F318-L358 HydrophobicContact CE1-CD2 3.96Å; F318-L358 HydrophobicContact CZ-CB 4.47Å; F318-L358 HydrophobicContact CZ-CD2 3.76Å; F318-F377 AromaticContact CE2-CE2 3.8Å; F318-F377 HydrophobicContact CE2-CE2 3.8Å; F318-F377 AromaticContact CE2-CZ 3.62Å; F318-F377 HydrophobicContact CE2-CZ 3.62Å; F318-F377 HydrophobicContact CZ-CE2 4.32Å; F318-F377 AromaticContact CZ-CZ 3.8Å; F318-F377 HydrophobicContact CZ-CZ 3.8Å |
| 319 | N | 95.4 | Very high | 93.6 | Very high | 57 Ų | 57 | 46 Ų | 46 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.6 | -17.4 | 178.2 | -74.1 | -35.9 | 0 | 0 | 0 | 113.2 | E315 M316 V317 L321 | E315-N319 WeakPolarHBondContact O-CB 3.43Å; E315-N319 VanDerWaalsContact O-CG 3.27Å; E315-N319 PolarHBondContact O-N 2.95Å; E315-N319 PolarHBondContact O-ND2 2.96Å; E315-N319 VanDerWaalsContact O-ND2 3.1Å; M316-N319 PolarHBondContact O-N 3.46Å; V317-N319 VanDerWaalsContact C-N 3.33Å; V317-N319 PolarHBondContact O-N 3.05Å; N319-L321 VanDerWaalsContact C-N 3.3Å |
| 320 | R | 94.8 | Very high | 93.7 | Very high | 48 Ų | 48 | 46 Ų | 46 | 18% | 0.181 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -74.8 | -17.6 | 172.7 | -59.7 | -56.5 | 98.9 | -169.1 | 7.6 | 113.1 | L278 M316 V317 F318 W322 Y323 V326 A330 | L278-R320 HydrophobicContact CB-CG 3.96Å; L278-R320 WeakPolarHBondContact O-CD 3.36Å; M316-R320 WeakPolarHBondContact O-CG 3.48Å; M316-R320 PolarHBondContact O-N 3.33Å; V317-R320 WeakPolarHBondContact O-CB 3.36Å; V317-R320 PolarHBondContact O-N 2.87Å; F318-R320 PolarHBondContact O-N 3.47Å; F318-R320 VanDerWaalsContact O-N 3.1Å; R320-W322 PolarHBondContact O-N 3.22Å; R320-Y323 VanDerWaalsContact NH1-CE2 3.31Å; R320-Y323 PolarHBondContact O-N 2.62Å; R320-Y323 VanDerWaalsContact O-N 3.12Å; R320-V326 HydrophobicContact CB-CG1 4.18Å; R320-A330 HydrophobicContact CB-CB 3.76Å |
| 321 | L | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -63.1 | -23.8 | 178.7 | -60.2 | 176.3 | 0 | 0 | 0 | 113.3 | F318 N319 Y323 R327 A330 L331 L334 L358 F373 F377 | F318-L321 HydrophobicContact CD2-CD1 3.94Å; F318-L321 HydrophobicContact CE2-CD1 4Å; F318-L321 HydrophobicContact CG-CD1 4.21Å; F318-L321 HydrophobicContact CZ-CD1 4.26Å; F318-L321 VanDerWaalsContact O-CB 3.22Å; F318-L321 WeakPolarHBondContact O-CB 3.4Å; F318-L321 WeakPolarHBondContact O-CG 3.47Å; F318-L321 PolarHBondContact O-N 2.97Å; N319-L321 VanDerWaalsContact C-N 3.3Å; L321-Y323 PolarHBondContact O-N 3.26Å; L321-R327 VanDerWaalsContact O-CG 3.28Å; L321-R327 WeakPolarHBondContact O-CG 3.18Å; L321-R327 PolarHBondContact O-NE 3.39Å; L321-A330 HydrophobicContact CD2-CB 3.88Å; L321-L331 HydrophobicContact CD2-CB 4Å; L321-L334 HydrophobicContact CD1-CD2 3.8Å; L321-L358 HydrophobicContact CB-CD1 4.35Å; L321-L358 HydrophobicContact CB-CD2 3.81Å; L321-L358 HydrophobicContact CD1-CD2 3.74Å; L321-L358 HydrophobicContact CG-CD2 4.46Å; L321-F373 HydrophobicContact CB-CZ 4.28Å; L321-F373 HydrophobicContact CD1-CZ 4.32Å; L321-F373 HydrophobicContact CD2-CE2 3.99Å; L321-F373 HydrophobicContact CD2-CZ 4.18Å; L321-F377 HydrophobicContact CD1-CD2 4.27Å; L321-F377 HydrophobicContact CD1-CE2 3.81Å |
| 322 | W | 93.4 | Very high | 94 | Very high | 91 Ų | 91 | 46.3 Ų | 46.3 | 35% | 0.345 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -63.2 | -26.6 | 175.7 | -68.9 | 99.2 | 0 | 0 | 0 | 113.1 | R320 P324 P357 L358 T361 | R320-W322 PolarHBondContact O-N 3.22Å; W322-P324 WeakPolarHBondContact O-CD 3.46Å; W322-P357 HydrophobicContact CH2-CB 4.15Å; W322-P357 WeakPolarHBondContact CH2-O 3.5Å; W322-P357 HydrophobicContact CZ2-CB 4.12Å; W322-L358 HydrophobicContact CD2-CD1 3.63Å; W322-L358 HydrophobicContact CE3-CD1 3.87Å; W322-L358 HydrophobicContact CG-CD1 4.09Å; W322-L358 HydrophobicContact CH2-CB 4.29Å; W322-L358 HydrophobicContact CH2-CD1 4.32Å; W322-L358 HydrophobicContact CZ2-CB 3.93Å; W322-L358 HydrophobicContact CZ2-CD1 4.08Å; W322-L358 HydrophobicContact CZ3-CD1 4.21Å; W322-T361 HydrophobicContact CZ3-CG2 3.99Å |
| 323 | Y | 91.4 | Very high | 94.1 | Very high | 124 Ų | 124 | 40.4 Ų | 40.4 | 49% | 0.486 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -95.5 | 112.5 | -173.2 | -61 | -87.9 | 0 | 0 | 0 | 111.2 | R320 L321 I325 V326 R327 | R320-Y323 VanDerWaalsContact NH1-CE2 3.31Å; R320-Y323 PolarHBondContact O-N 2.62Å; R320-Y323 VanDerWaalsContact O-N 3.12Å; L321-Y323 PolarHBondContact O-N 3.26Å; Y323-I325 VanDerWaalsContact C-N 3.29Å; Y323-I325 PolarHBondContact O-N 2.97Å; Y323-I325 VanDerWaalsContact O-N 3.1Å; Y323-V326 PolarHBondContact O-N 2.94Å; Y323-R327 WeakPolarHBondContact O-CB 3.42Å; Y323-R327 PolarHBondContact O-N 3.42Å |
| 324 | P | 89.7 | Confident | 94.1 | Very high | 98 Ų | 98 | 38.8 Ų | 38.8 | 64% | 0.636 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -55 | -36.2 | -170.6 | -27.5 | 33.8 | 0 | 0 | 0 | 115.6 | W322 | W322-P324 WeakPolarHBondContact O-CD 3.46Å |
| 325 | I | 87.9 | Confident | 94 | Very high | 92 Ų | 92 | 40.3 Ų | 40.3 | 47% | 0.472 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.1 | -42.3 | -176.1 | -60.6 | 174.2 | 0 | 0 | 0 | 111.6 | Q284 Y323 | Q284-I325 HydrophobicContact CG-CG2 3.9Å; Y323-I325 VanDerWaalsContact C-N 3.29Å; Y323-I325 PolarHBondContact O-N 2.97Å; Y323-I325 VanDerWaalsContact O-N 3.1Å |
| 326 | V | 91.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -97.1 | -11.1 | -177.8 | 63.7 | 0 | 0 | 0 | 0 | 112.6 | L278 A283 R320 Y323 Q328 G329 A330 | L278-V326 HydrophobicContact CB-CG2 4.27Å; L278-V326 HydrophobicContact CD2-CG2 3.85Å; A283-V326 HydrophobicContact CB-CG2 4.22Å; A283-V326 WeakPolarHBondContact O-CG2 3.34Å; R320-V326 HydrophobicContact CB-CG1 4.18Å; Y323-V326 PolarHBondContact O-N 2.94Å; V326-Q328 VanDerWaalsContact C-N 3.31Å; V326-Q328 PolarHBondContact O-N 2.93Å; V326-Q328 VanDerWaalsContact O-N 3.16Å; V326-G329 PolarHBondContact O-N 2.98Å; V326-A330 HydrophobicContact CG2-CB 4.46Å; V326-A330 WeakPolarHBondContact O-CB 3.38Å; V326-A330 PolarHBondContact O-N 3.48Å |
| 327 | R | 92.9 | Very high | 93.8 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -48.2 | -47.7 | -175.1 | -177.3 | -178 | -57.8 | 167.1 | 1.4 | 113.3 | L321 Y323 L331 L362 S370 F373 | L321-R327 VanDerWaalsContact O-CG 3.28Å; L321-R327 WeakPolarHBondContact O-CG 3.18Å; L321-R327 PolarHBondContact O-NE 3.39Å; Y323-R327 WeakPolarHBondContact O-CB 3.42Å; Y323-R327 PolarHBondContact O-N 3.42Å; R327-L331 WeakPolarHBondContact O-CB 3.41Å; R327-L331 PolarHBondContact O-N 3.23Å; R327-L362 VanDerWaalsContact NH2-CD2 3.31Å; R327-S370 PolarHBondContact NH1-OG 3.3Å; R327-F373 VanDerWaalsContact CD-CG 3.48Å; R327-F373 HydrophobicContact CG-CD2 3.51Å; R327-F373 HydrophobicContact CG-CE2 3.47Å; R327-F373 VanDerWaalsContact CG-CE2 3.47Å; R327-F373 HydrophobicContact CG-CG 4.06Å; R327-F373 HydrophobicContact CG-CZ 4.01Å |
| 328 | Q | 92.3 | Very high | 93.7 | Very high | 94 Ų | 94 | 35.9 Ų | 35.9 | 44% | 0.439 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67.7 | -43.7 | -178.5 | -168.8 | 62.8 | 24.1 | 0 | 0 | 112.2 | V326 L331 S332 | V326-Q328 VanDerWaalsContact C-N 3.31Å; V326-Q328 PolarHBondContact O-N 2.93Å; V326-Q328 VanDerWaalsContact O-N 3.16Å; Q328-L331 WeakPolarHBondContact O-CB 3.34Å; Q328-L331 PolarHBondContact O-N 3.46Å; Q328-S332 PolarHBondContact O-N 3Å; Q328-S332 PolarHBondContact O-OG 3.28Å; Q328-S332 VanDerWaalsContact O-OG 3.14Å |
| 329 | G | 91.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 6% | 0.062 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D287 V326 L331 S332 V333 | D287-G329 WeakPolarHBondContact CB-O 3.15Å; V326-G329 PolarHBondContact O-N 2.98Å; G329-L331 VanDerWaalsContact C-N 3.32Å; G329-L331 PolarHBondContact O-N 3.24Å; G329-S332 WeakPolarHBondContact O-CB 3.47Å; G329-S332 PolarHBondContact O-N 2.92Å; G329-V333 WeakPolarHBondContact O-CG2 3.38Å; G329-V333 PolarHBondContact O-N 3.33Å |
| 330 | A | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.2 | -38.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | R320 L321 V326 V333 L334 | R320-A330 HydrophobicContact CB-CB 3.76Å; L321-A330 HydrophobicContact CD2-CB 3.88Å; V326-A330 HydrophobicContact CG2-CB 4.46Å; V326-A330 WeakPolarHBondContact O-CB 3.38Å; V326-A330 PolarHBondContact O-N 3.48Å; A330-V333 PolarHBondContact O-N 3.24Å; A330-L334 VanDerWaalsContact O-CB 3.24Å; A330-L334 WeakPolarHBondContact O-CB 3.16Å; A330-L334 PolarHBondContact O-N 2.9Å |
| 331 | L | 95.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 31.8 Ų | 31.8 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 173.5 | -178.3 | 61.7 | 0 | 0 | 0 | 111.7 | L321 R327 Q328 G329 V333 L334 S335 F373 Q376 F377 L380 | L321-L331 HydrophobicContact CD2-CB 4Å; R327-L331 WeakPolarHBondContact O-CB 3.41Å; R327-L331 PolarHBondContact O-N 3.23Å; Q328-L331 WeakPolarHBondContact O-CB 3.34Å; Q328-L331 PolarHBondContact O-N 3.46Å; G329-L331 VanDerWaalsContact C-N 3.32Å; G329-L331 PolarHBondContact O-N 3.24Å; L331-V333 VanDerWaalsContact C-N 3.33Å; L331-V333 PolarHBondContact O-N 2.99Å; L331-L334 PolarHBondContact O-N 3.42Å; L331-S335 WeakPolarHBondContact O-CB 3.3Å; L331-S335 PolarHBondContact O-N 3.36Å; L331-F373 HydrophobicContact CB-CE2 4.07Å; L331-F373 HydrophobicContact CD1-CE2 4.19Å; L331-F373 HydrophobicContact CD2-CD2 3.76Å; L331-F373 HydrophobicContact CD2-CE2 3.76Å; L331-F373 HydrophobicContact CG-CE2 4.22Å; L331-Q376 HydrophobicContact CD2-CB 3.89Å; L331-F377 HydrophobicContact CD1-CB 4.3Å; L331-F377 HydrophobicContact CD1-CD2 3.81Å; L331-L380 HydrophobicContact CD1-CD2 4.17Å |
| 332 | S | 94.6 | Very high | 91.9 | Very high | 39 Ų | 39 | 33.9 Ų | 33.9 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 176.6 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | Q328 G329 H336 | Q328-S332 PolarHBondContact O-N 3Å; Q328-S332 PolarHBondContact O-OG 3.28Å; Q328-S332 VanDerWaalsContact O-OG 3.14Å; G329-S332 WeakPolarHBondContact O-CB 3.47Å; G329-S332 PolarHBondContact O-N 2.92Å; S332-H336 WeakPolarHBondContact O-CB 3.41Å; S332-H336 PolarHBondContact O-N 2.8Å |
| 333 | V | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -47.8 | 177.3 | 175 | 0 | 0 | 0 | 0 | 111 | L278 D287 V290 I291 V317 G329 A330 L331 S335 H336 M337 | L278-V333 HydrophobicContact CD1-CB 4.39Å; L278-V333 HydrophobicContact CD1-CG1 4.34Å; L278-V333 HydrophobicContact CD1-CG2 4.31Å; D287-V333 HydrophobicContact CB-CG2 3.83Å; V290-V333 HydrophobicContact CB-CG2 3.99Å; V290-V333 HydrophobicContact CG1-CG1 3.72Å; V290-V333 HydrophobicContact CG1-CG2 3.93Å; I291-V333 HydrophobicContact CD1-CG2 4.48Å; I291-V333 HydrophobicContact CG1-CG2 4.24Å; V317-V333 HydrophobicContact CG1-CB 4.24Å; V317-V333 HydrophobicContact CG1-CG1 4.05Å; V317-V333 HydrophobicContact CG2-CG1 4.33Å; G329-V333 WeakPolarHBondContact O-CG2 3.38Å; G329-V333 PolarHBondContact O-N 3.33Å; A330-V333 PolarHBondContact O-N 3.24Å; L331-V333 VanDerWaalsContact C-N 3.33Å; L331-V333 PolarHBondContact O-N 2.99Å; V333-S335 VanDerWaalsContact C-N 3.34Å; V333-S335 PolarHBondContact O-N 2.91Å; V333-H336 PolarHBondContact O-N 3.45Å; V333-M337 HydrophobicContact CG1-CE 3.77Å; V333-M337 HydrophobicContact CG1-CG 4.43Å; V333-M337 HydrophobicContact CG1-SD 4.02Å; V333-M337 WeakPolarHBondContact O-CG 3.38Å; V333-M337 PolarHBondContact O-N 2.86Å |
| 334 | L | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 178.1 | 179.8 | 65.7 | 0 | 0 | 0 | 111.3 | I314 V317 F318 L321 A330 L331 H336 M337 L338 V351 F377 | I314-L334 HydrophobicContact CD1-CD1 4.01Å; I314-L334 HydrophobicContact CG1-CD1 3.63Å; V317-L334 HydrophobicContact CG1-CB 4Å; F318-L334 HydrophobicContact CD2-CD2 3.75Å; F318-L334 HydrophobicContact CE2-CD2 4.33Å; L321-L334 HydrophobicContact CD1-CD2 3.8Å; A330-L334 VanDerWaalsContact O-CB 3.24Å; A330-L334 WeakPolarHBondContact O-CB 3.16Å; A330-L334 PolarHBondContact O-N 2.9Å; L331-L334 PolarHBondContact O-N 3.42Å; L334-H336 VanDerWaalsContact C-N 3.33Å; L334-H336 PolarHBondContact O-N 2.99Å; L334-M337 PolarHBondContact O-N 3.08Å; L334-L338 HydrophobicContact CD1-CD1 3.79Å; L334-L338 HydrophobicContact CD1-CG 4Å; L334-L338 HydrophobicContact CD2-CD1 4.41Å; L334-L338 HydrophobicContact CG-CD1 3.82Å; L334-L338 HydrophobicContact CG-CG 4.35Å; L334-L338 WeakPolarHBondContact O-CB 3.34Å; L334-L338 WeakPolarHBondContact O-CG 3.31Å; L334-L338 PolarHBondContact O-N 3.22Å; L334-V351 HydrophobicContact CD1-CG1 4.39Å; L334-F377 HydrophobicContact CD2-CE2 4.28Å |
| 335 | S | 94.8 | Very high | 90.1 | Very high | 32 Ų | 32 | 26.7 Ų | 26.7 | 22% | 0.224 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | L331 V333 L339 | L331-S335 WeakPolarHBondContact O-CB 3.3Å; L331-S335 PolarHBondContact O-N 3.36Å; V333-S335 VanDerWaalsContact C-N 3.34Å; V333-S335 PolarHBondContact O-N 2.91Å; S335-L339 WeakPolarHBondContact O-CB 3.45Å; S335-L339 WeakPolarHBondContact O-CD1 3.32Å; S335-L339 WeakPolarHBondContact O-CG 3.28Å; S335-L339 PolarHBondContact O-N 3.46Å; S335-L339 VanDerWaalsContact OG-CD1 3.31Å; S335-L339 WeakPolarHBondContact OG-CD1 3.46Å |
| 336 | H | 93.7 | Very high | 90.1 | Very high | 32 Ų | 32 | 27.1 Ų | 27.1 | 15% | 0.148 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 177.6 | -168.2 | 67 | 0 | 0 | 0 | 111.5 | I291 S332 V333 L334 S340 W422 | I291-H336 HydrophobicContact CG1-CB 4.38Å; S332-H336 WeakPolarHBondContact O-CB 3.41Å; S332-H336 PolarHBondContact O-N 2.8Å; V333-H336 PolarHBondContact O-N 3.45Å; L334-H336 VanDerWaalsContact C-N 3.33Å; L334-H336 PolarHBondContact O-N 2.99Å; H336-S340 WeakPolarHBondContact O-CB 3.41Å; H336-S340 PolarHBondContact O-N 3.4Å; H336-S340 PolarHBondContact O-OG 3.37Å; H336-W422 AromaticContact NE2-NE1 3.94Å |
| 337 | M | 94 | Very high | 90 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59 | -51.4 | 177.3 | -75.1 | 178.6 | 173 | 0 | 0 | 112.1 | I275 L294 T310 V317 V333 L334 S340 F341 | I275-M337 HydrophobicContact CD1-CE 3.4Å; I275-M337 VanDerWaalsContact CD1-CE 3.4Å; I275-M337 HydrophobicContact CG1-CE 3.9Å; L294-M337 HydrophobicContact CD1-CE 4.2Å; L294-M337 HydrophobicContact CD1-CG 4.18Å; T310-M337 HydrophobicContact CG2-CB 4Å; T310-M337 HydrophobicContact CG2-CG 4.33Å; T310-M337 HydrophobicContact CG2-SD 4.46Å; V317-M337 HydrophobicContact CG2-CE 4.44Å; V317-M337 HydrophobicContact CG2-SD 4.29Å; V333-M337 HydrophobicContact CG1-CE 3.77Å; V333-M337 HydrophobicContact CG1-CG 4.43Å; V333-M337 HydrophobicContact CG1-SD 4.02Å; V333-M337 WeakPolarHBondContact O-CG 3.38Å; V333-M337 PolarHBondContact O-N 2.86Å; L334-M337 PolarHBondContact O-N 3.08Å; M337-S340 PolarHBondContact O-N 3.22Å; M337-F341 WeakPolarHBondContact O-CB 3.38Å; M337-F341 PolarHBondContact O-N 3.38Å |
| 338 | L | 93.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67 | -45.8 | -178 | -75.5 | 177.8 | 0 | 0 | 0 | 112.5 | I314 L334 S340 F341 F348 V351 L380 M384 | I314-L338 HydrophobicContact CD1-CD2 3.43Å; I314-L338 VanDerWaalsContact CD1-CD2 3.43Å; I314-L338 HydrophobicContact CD1-CG 3.89Å; L334-L338 HydrophobicContact CD1-CD1 3.79Å; L334-L338 HydrophobicContact CD1-CG 4Å; L334-L338 HydrophobicContact CD2-CD1 4.41Å; L334-L338 HydrophobicContact CG-CD1 3.82Å; L334-L338 HydrophobicContact CG-CG 4.35Å; L334-L338 WeakPolarHBondContact O-CB 3.34Å; L334-L338 WeakPolarHBondContact O-CG 3.31Å; L334-L338 PolarHBondContact O-N 3.22Å; L338-S340 VanDerWaalsContact C-N 3.27Å; L338-S340 PolarHBondContact O-N 3.46Å; L338-F341 PolarHBondContact O-N 3.02Å; L338-F348 HydrophobicContact CD1-CD2 4.38Å; L338-F348 HydrophobicContact CD2-CB 3.98Å; L338-F348 HydrophobicContact CD2-CD2 4.25Å; L338-V351 HydrophobicContact CD1-CG2 4.44Å; L338-L380 HydrophobicContact CB-CD1 4.49Å; L338-L380 HydrophobicContact CD1-CD2 4.23Å; L338-L380 HydrophobicContact CD1-CG 4.5Å; L338-M384 HydrophobicContact CB-CG 4.23Å; L338-M384 HydrophobicContact CB-SD 3.75Å; L338-M384 HydrophobicContact CD1-CG 4.26Å |
| 339 | L | 90.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.3 | -25.5 | -179.1 | -69.7 | 169 | 0 | 0 | 0 | 112.8 | S335 Q342 L380 C383 M384 V416 L417 S420 | S335-L339 WeakPolarHBondContact O-CB 3.45Å; S335-L339 WeakPolarHBondContact O-CD1 3.32Å; S335-L339 WeakPolarHBondContact O-CG 3.28Å; S335-L339 PolarHBondContact O-N 3.46Å; S335-L339 VanDerWaalsContact OG-CD1 3.31Å; S335-L339 WeakPolarHBondContact OG-CD1 3.46Å; L339-Q342 VanDerWaalsContact O-CG 3.26Å; L339-Q342 WeakPolarHBondContact O-CG 3.46Å; L339-Q342 PolarHBondContact O-NE2 2.9Å; L339-L380 HydrophobicContact CD1-CD1 4.18Å; L339-L380 HydrophobicContact CD2-CD1 4.16Å; L339-L380 HydrophobicContact CG-CD1 3.82Å; L339-C383 HydrophobicContact CD2-CB 4.49Å; L339-M384 HydrophobicContact CD2-CE 3.46Å; L339-M384 VanDerWaalsContact CD2-CE 3.46Å; L339-M384 HydrophobicContact CG-CE 4.22Å; L339-V416 HydrophobicContact CD1-CG1 3.93Å; L339-V416 HydrophobicContact CD2-CG1 3.71Å; L339-L417 HydrophobicContact CD2-CD2 4.09Å; L339-S420 VanDerWaalsContact CB-CB 3.44Å |
| 340 | S | 86.4 | Confident | 90.3 | Very high | 7 Ų | 7 | 26 Ų | 26 | 5% | 0.049 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -87.7 | -28.6 | 175.7 | -62 | 0 | 0 | 0 | 0 | 113.4 | H336 M337 L338 Q342 S420 W422 | H336-S340 WeakPolarHBondContact O-CB 3.41Å; H336-S340 PolarHBondContact O-N 3.4Å; H336-S340 PolarHBondContact O-OG 3.37Å; M337-S340 PolarHBondContact O-N 3.22Å; L338-S340 VanDerWaalsContact C-N 3.27Å; L338-S340 PolarHBondContact O-N 3.46Å; S340-Q342 PolarHBondContact O-N 3.44Å; S340-Q342 VanDerWaalsContact O-N 3.11Å; S340-S420 VanDerWaalsContact CA-O 3.23Å; S340-S420 WeakPolarHBondContact CA-O 3.24Å; S340-S420 WeakPolarHBondContact CB-O 3.42Å; S340-S420 PolarHBondContact OG-O 3.17Å; S340-W422 VanDerWaalsContact CB-CD1 3.48Å; S340-W422 PolarHBondContact OG-NE1 2.97Å |
| 341 | F | 85.5 | Confident | 90.3 | Very high | 3 Ų | 3 | 26 Ų | 26 | 1% | 0.013 | 14% | 0.136 | C | C | . | . | trans | -82.1 | 79.3 | 174.6 | -163.3 | -76.3 | 0 | 0 | 0 | 109.9 | I307 T310 L311 M337 L338 H343 S344 A347 Y388 W422 | I307-F341 HydrophobicContact CB-CE2 4.18Å; I307-F341 HydrophobicContact CG1-CE2 4.25Å; I307-F341 HydrophobicContact CG2-CE2 3.76Å; I307-F341 HydrophobicContact CG2-CZ 4.24Å; T310-F341 HydrophobicContact CG2-CD2 3.86Å; T310-F341 HydrophobicContact CG2-CE2 4.43Å; T310-F341 HydrophobicContact CG2-CG 4.46Å; L311-F341 HydrophobicContact CD1-CE2 4.42Å; L311-F341 HydrophobicContact CD1-CZ 4.2Å; L311-F341 HydrophobicContact CD2-CE2 4.15Å; L311-F341 HydrophobicContact CD2-CZ 3.76Å; L311-F341 HydrophobicContact CG-CE2 3.95Å; L311-F341 HydrophobicContact CG-CZ 3.94Å; M337-F341 WeakPolarHBondContact O-CB 3.38Å; M337-F341 PolarHBondContact O-N 3.38Å; L338-F341 PolarHBondContact O-N 3.02Å; F341-H343 AromaticContact CD1-CE1 3.73Å; F341-H343 AromaticContact CD2-CE1 3.66Å; F341-H343 AromaticContact CE1-CE1 3.52Å; F341-H343 AromaticContact CE1-NE2 3.64Å; F341-H343 AromaticContact CE2-CE1 3.46Å; F341-H343 VanDerWaalsContact CE2-CE1 3.46Å; F341-H343 WeakPolarHBondContact CE2-CE1 3.4Å; F341-H343 AromaticContact CE2-NE2 3.85Å; F341-H343 AromaticContact CG-CE1 3.78Å; F341-H343 AromaticContact CZ-CE1 3.36Å; F341-H343 WeakPolarHBondContact CZ-CE1 3.29Å; F341-H343 AromaticContact CZ-NE2 3.37Å; F341-H343 WeakPolarHBondContact CZ-NE2 3.44Å; F341-S344 WeakPolarHBondContact CD1-O 3.41Å; F341-S344 VanDerWaalsContact CE1-O 3.3Å; F341-S344 WeakPolarHBondContact CE1-O 3.27Å; F341-A347 HydrophobicContact CD1-CB 3.68Å; F341-A347 HydrophobicContact CD2-CB 4.23Å; F341-A347 HydrophobicContact CE1-CB 3.8Å; F341-A347 HydrophobicContact CE2-CB 4.32Å; F341-A347 HydrophobicContact CG-CB 3.93Å; F341-A347 HydrophobicContact CZ-CB 4.14Å; F341-Y388 PolarHBondContact O-OH 3.37Å; F341-W422 HydrophobicContact CD2-CZ3 4.48Å | ||
| 342 | Q | 82.3 | Confident | 90.2 | Very high | 44 Ų | 44 | 25.9 Ų | 25.9 | 21% | 0.206 | 14% | 0.136 | C | C | . | . | trans | -99.1 | -15.5 | -175.3 | -65.8 | -171.9 | 6.2 | 0 | 0 | 115.2 | L339 S340 S344 Y388 L417 | L339-Q342 VanDerWaalsContact O-CG 3.26Å; L339-Q342 WeakPolarHBondContact O-CG 3.46Å; L339-Q342 PolarHBondContact O-NE2 2.9Å; S340-Q342 PolarHBondContact O-N 3.44Å; S340-Q342 VanDerWaalsContact O-N 3.11Å; Q342-S344 PolarHBondContact O-N 3.37Å; Q342-Y388 WeakPolarHBondContact CA-OH 3.43Å; Q342-Y388 PolarHBondContact O-OH 2.92Å; Q342-L417 PolarHBondContact NE2-O 2.93Å | ||
| 343 | H | 71.3 | Confident | 90.1 | Very high | 112 Ų | 112 | 28.3 Ų | 28.3 | 52% | 0.519 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -77.2 | -15.9 | -169.9 | 62.6 | -80 | 0 | 0 | 0 | 114.9 | F341 | F341-H343 AromaticContact CD1-CE1 3.73Å; F341-H343 AromaticContact CD2-CE1 3.66Å; F341-H343 AromaticContact CE1-CE1 3.52Å; F341-H343 AromaticContact CE1-NE2 3.64Å; F341-H343 AromaticContact CE2-CE1 3.46Å; F341-H343 VanDerWaalsContact CE2-CE1 3.46Å; F341-H343 WeakPolarHBondContact CE2-CE1 3.4Å; F341-H343 AromaticContact CE2-NE2 3.85Å; F341-H343 AromaticContact CG-CE1 3.78Å; F341-H343 AromaticContact CZ-CE1 3.36Å; F341-H343 WeakPolarHBondContact CZ-CE1 3.29Å; F341-H343 AromaticContact CZ-NE2 3.37Å; F341-H343 WeakPolarHBondContact CZ-NE2 3.44Å |
| 344 | S | 80.8 | Confident | 90 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 11% | 0.105 | 16% | 0.163 | C | C | . | . | trans | -152.7 | 143 | -179.1 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | F341 Q342 E346 Y388 | F341-S344 WeakPolarHBondContact CD1-O 3.41Å; F341-S344 VanDerWaalsContact CE1-O 3.3Å; F341-S344 WeakPolarHBondContact CE1-O 3.27Å; Q342-S344 PolarHBondContact O-N 3.37Å; S344-E346 PolarHBondContact O-N 2.98Å; S344-E346 WeakPolarHBondContact OG-CB 3.47Å; S344-E346 PolarHBondContact OG-N 3.47Å; S344-Y388 VanDerWaalsContact O-CZ 3.28Å; S344-Y388 PolarHBondContact O-OH 3.31Å | ||
| 345 | P | 85.1 | Confident | 89.9 | Confident | 35 Ų | 35 | 30.5 Ų | 30.5 | 23% | 0.227 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -72.3 | -7.9 | 176.9 | 31.5 | -37 | 0 | 0 | 0 | 113.9 | A347 F348 H349 Y388 F391 | P345-A347 PolarHBondContact O-N 3.38Å; P345-F348 PolarHBondContact O-N 3.47Å; P345-F348 VanDerWaalsContact O-N 3.08Å; P345-H349 WeakPolarHBondContact O-CB 3.43Å; P345-H349 PolarHBondContact O-N 2.87Å; P345-Y388 HydrophobicContact CB-CD1 3.63Å; P345-Y388 HydrophobicContact CB-CD2 4.26Å; P345-Y388 HydrophobicContact CB-CE1 4.09Å; P345-Y388 HydrophobicContact CB-CG 3.72Å; P345-Y388 HydrophobicContact CG-CD1 4.45Å; P345-F391 HydrophobicContact CB-CE2 4.39Å; P345-F391 HydrophobicContact CG-CE2 4.41Å; P345-F391 HydrophobicContact CG-CZ 4.33Å |
| 346 | E | 87.6 | Confident | 89.9 | Confident | 101 Ų | 101 | 34.6 Ų | 34.6 | 47% | 0.472 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -53.2 | -50.6 | -169.7 | -171 | 174.4 | -178.3 | 0 | 0 | 113.7 | L311 S344 F348 H349 L350 | L311-E346 HydrophobicContact CD2-CB 4.11Å; L311-E346 HydrophobicContact CD2-CG 3.76Å; S344-E346 PolarHBondContact O-N 2.98Å; S344-E346 WeakPolarHBondContact OG-CB 3.47Å; S344-E346 PolarHBondContact OG-N 3.47Å; E346-F348 VanDerWaalsContact C-N 3.32Å; E346-F348 PolarHBondContact O-N 2.84Å; E346-H349 PolarHBondContact O-N 2.67Å; E346-L350 WeakPolarHBondContact O-CG 3.24Å; E346-L350 PolarHBondContact O-N 3.28Å |
| 347 | A | 89.3 | Confident | 89.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T310 L311 I314 F341 P345 | T310-A347 HydrophobicContact CG2-CB 4.17Å; L311-A347 HydrophobicContact CD2-CB 4Å; I314-A347 HydrophobicContact CD1-CB 3.9Å; F341-A347 HydrophobicContact CD1-CB 3.68Å; F341-A347 HydrophobicContact CD2-CB 4.23Å; F341-A347 HydrophobicContact CE1-CB 3.8Å; F341-A347 HydrophobicContact CE2-CB 4.32Å; F341-A347 HydrophobicContact CG-CB 3.93Å; F341-A347 HydrophobicContact CZ-CB 4.14Å; P345-A347 PolarHBondContact O-N 3.38Å |
| 348 | F | 95.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.1 | -40.9 | 176.6 | 179.5 | -126.6 | 0 | 0 | 0 | 111.7 | L338 P345 E346 L350 V351 V352 I381 M384 M385 Y388 Y395 | L338-F348 HydrophobicContact CD1-CD2 4.38Å; L338-F348 HydrophobicContact CD2-CB 3.98Å; L338-F348 HydrophobicContact CD2-CD2 4.25Å; P345-F348 PolarHBondContact O-N 3.47Å; P345-F348 VanDerWaalsContact O-N 3.08Å; E346-F348 VanDerWaalsContact C-N 3.32Å; E346-F348 PolarHBondContact O-N 2.84Å; F348-L350 VanDerWaalsContact C-N 3.26Å; F348-L350 PolarHBondContact O-N 3.21Å; F348-V351 HydrophobicContact CD2-CG2 3.88Å; F348-V351 HydrophobicContact CE2-CG2 4.38Å; F348-V351 WeakPolarHBondContact O-CG2 3.19Å; F348-V351 PolarHBondContact O-N 3.25Å; F348-V351 VanDerWaalsContact O-N 3.09Å; F348-V352 HydrophobicContact CD1-CG2 4.17Å; F348-V352 HydrophobicContact CD2-CG2 4.43Å; F348-V352 HydrophobicContact CE1-CG2 3.91Å; F348-V352 HydrophobicContact CE2-CG2 4.16Å; F348-V352 HydrophobicContact CG-CG2 4.42Å; F348-V352 HydrophobicContact CZ-CG2 3.89Å; F348-V352 VanDerWaalsContact O-CG2 3.31Å; F348-V352 WeakPolarHBondContact O-CG2 3.49Å; F348-V352 PolarHBondContact O-N 3.06Å; F348-V352 VanDerWaalsContact O-N 3.13Å; F348-I381 HydrophobicContact CE2-CD1 3.88Å; F348-I381 HydrophobicContact CZ-CG2 4.46Å; F348-M384 HydrophobicContact CD1-CB 3.9Å; F348-M384 HydrophobicContact CD2-CB 3.58Å; F348-M384 HydrophobicContact CD2-CG 3.89Å; F348-M384 HydrophobicContact CE1-CB 3.76Å; F348-M384 HydrophobicContact CE2-CB 3.45Å; F348-M384 VanDerWaalsContact CE2-CB 3.45Å; F348-M384 HydrophobicContact CE2-CG 4.05Å; F348-M384 HydrophobicContact CG-CB 3.82Å; F348-M384 HydrophobicContact CG-CG 4.33Å; F348-M384 HydrophobicContact CZ-CB 3.55Å; F348-M385 HydrophobicContact CE1-CG 3.97Å; F348-M385 HydrophobicContact CZ-CG 3.85Å; F348-Y388 HydrophobicContact CB-CD2 4.06Å; F348-Y388 HydrophobicContact CB-CE2 4.14Å; F348-Y388 AromaticContact CD1-CD2 3.92Å; F348-Y388 HydrophobicContact CD1-CD2 3.92Å; F348-Y388 HydrophobicContact CG-CD2 4.3Å; F348-Y395 HydrophobicContact CD1-CE1 4.37Å; F348-Y395 AromaticContact CE1-CE1 3.66Å; F348-Y395 HydrophobicContact CE1-CE1 3.66Å; F348-Y395 AromaticContact CE1-CZ 3.69Å; F348-Y395 WeakPolarHBondContact CE1-OH 3.49Å; F348-Y395 HydrophobicContact CZ-CE1 4.43Å |
| 349 | H | 94.3 | Very high | 89.9 | Confident | 48 Ų | 48 | 35.7 Ų | 35.7 | 22% | 0.222 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.7 | -27.1 | 178.8 | -72.1 | -176.1 | 0 | 0 | 0 | 113.1 | P345 E346 V351 P353 F391 Y395 | P345-H349 WeakPolarHBondContact O-CB 3.43Å; P345-H349 PolarHBondContact O-N 2.87Å; E346-H349 PolarHBondContact O-N 2.67Å; H349-V351 VanDerWaalsContact C-N 3.31Å; H349-V351 PolarHBondContact O-N 3.34Å; H349-P353 WeakPolarHBondContact O-CD 3.45Å; H349-F391 AromaticContact CE1-CD1 3.82Å; H349-F391 AromaticContact CE1-CD2 3.68Å; H349-F391 AromaticContact CE1-CE1 3.71Å; H349-F391 AromaticContact CE1-CE2 3.58Å; H349-F391 AromaticContact CE1-CG 3.81Å; H349-F391 AromaticContact CE1-CZ 3.59Å; H349-F391 AromaticContact NE2-CD2 3.56Å; H349-F391 AromaticContact NE2-CE2 3.78Å; H349-F391 AromaticContact NE2-CG 3.88Å; H349-Y395 PolarHBondContact CD2-OH 3.37Å; H349-Y395 AromaticContact NE2-CZ 3.89Å; H349-Y395 PolarHBondContact NE2-OH 3.02Å |
| 350 | L | 93.6 | Very high | 89.9 | Confident | 56 Ų | 56 | 39.5 Ų | 39.5 | 29% | 0.293 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.4 | -35 | 171 | -70.6 | 172.7 | 0 | 0 | 0 | 112.6 | L311 I314 E315 E346 F348 | L311-L350 HydrophobicContact CD2-CD1 4.31Å; I314-L350 HydrophobicContact CG2-CB 4.15Å; I314-L350 HydrophobicContact CG2-CD1 3.9Å; E315-L350 HydrophobicContact CG-CB 3.96Å; E346-L350 WeakPolarHBondContact O-CG 3.24Å; E346-L350 PolarHBondContact O-N 3.28Å; F348-L350 VanDerWaalsContact C-N 3.26Å; F348-L350 PolarHBondContact O-N 3.21Å |
| 351 | V | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -88.7 | -23.6 | -178.3 | -61.7 | 0 | 0 | 0 | 0 | 113.9 | I314 F318 L334 L338 F348 H349 P353 L354 V355 | I314-V351 HydrophobicContact CD1-CG1 4.31Å; I314-V351 HydrophobicContact CG1-CG1 3.84Å; I314-V351 HydrophobicContact CG2-CG1 4.43Å; F318-V351 HydrophobicContact CB-CG1 3.89Å; F318-V351 HydrophobicContact CD2-CB 3.58Å; F318-V351 HydrophobicContact CD2-CG1 3.74Å; F318-V351 HydrophobicContact CD2-CG2 4.38Å; F318-V351 HydrophobicContact CE2-CB 4.04Å; F318-V351 HydrophobicContact CG-CB 4.16Å; F318-V351 HydrophobicContact CG-CG1 4.05Å; L334-V351 HydrophobicContact CD1-CG1 4.39Å; L338-V351 HydrophobicContact CD1-CG2 4.44Å; F348-V351 HydrophobicContact CD2-CG2 3.88Å; F348-V351 HydrophobicContact CE2-CG2 4.38Å; F348-V351 WeakPolarHBondContact O-CG2 3.19Å; F348-V351 PolarHBondContact O-N 3.25Å; F348-V351 VanDerWaalsContact O-N 3.09Å; H349-V351 VanDerWaalsContact C-N 3.31Å; H349-V351 PolarHBondContact O-N 3.34Å; V351-P353 VanDerWaalsContact C-CD 3.49Å; V351-L354 WeakPolarHBondContact O-CB 3.46Å; V351-L354 PolarHBondContact O-N 3.02Å; V351-V355 PolarHBondContact O-N 2.69Å |
| 352 | V | 94.2 | Very high | 90.5 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -47.4 | -48 | -177.7 | 155.5 | 0 | 0 | 0 | 0 | 114 | F348 L354 V355 L394 Y395 I398 | F348-V352 HydrophobicContact CD1-CG2 4.17Å; F348-V352 HydrophobicContact CD2-CG2 4.43Å; F348-V352 HydrophobicContact CE1-CG2 3.91Å; F348-V352 HydrophobicContact CE2-CG2 4.16Å; F348-V352 HydrophobicContact CG-CG2 4.42Å; F348-V352 HydrophobicContact CZ-CG2 3.89Å; F348-V352 VanDerWaalsContact O-CG2 3.31Å; F348-V352 WeakPolarHBondContact O-CG2 3.49Å; F348-V352 PolarHBondContact O-N 3.06Å; F348-V352 VanDerWaalsContact O-N 3.13Å; V352-L354 PolarHBondContact O-N 2.9Å; V352-L354 VanDerWaalsContact O-N 3.12Å; V352-V355 PolarHBondContact O-N 2.92Å; V352-L394 HydrophobicContact CG1-CD1 3.59Å; V352-L394 HydrophobicContact CG1-CD2 3.98Å; V352-L394 HydrophobicContact CG1-CG 3.58Å; V352-Y395 HydrophobicContact CG2-CD1 4.48Å; V352-Y395 HydrophobicContact CG2-CE1 3.93Å; V352-I398 HydrophobicContact CB-CD1 4.23Å; V352-I398 HydrophobicContact CG1-CD1 3.81Å; V352-I398 HydrophobicContact CG2-CD1 4.15Å |
| 353 | P | 93.5 | Very high | 90.8 | Very high | 90 Ų | 90 | 43.6 Ų | 43.6 | 58% | 0.584 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60.2 | -24.6 | 179.2 | -24.5 | 34.9 | 0 | 0 | 0 | 114.1 | H349 V351 | H349-P353 WeakPolarHBondContact O-CD 3.45Å; V351-P353 VanDerWaalsContact C-CD 3.49Å |
| 354 | L | 94 | Very high | 91.7 | Very high | 46 Ų | 46 | 43.8 Ų | 43.8 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -91.1 | -15.5 | -175.5 | -51.5 | 175.8 | 0 | 0 | 0 | 113 | F318 V351 V352 P357 | F318-L354 HydrophobicContact CB-CD1 4.45Å; F318-L354 HydrophobicContact CD1-CB 3.52Å; F318-L354 HydrophobicContact CD1-CD1 3.71Å; F318-L354 HydrophobicContact CD1-CG 4.27Å; F318-L354 HydrophobicContact CE1-CB 3.25Å; F318-L354 HydrophobicContact CE1-CD1 4.35Å; F318-L354 HydrophobicContact CE1-CG 4.44Å; F318-L354 WeakPolarHBondContact CE1-O 3.47Å; F318-L354 HydrophobicContact CG-CB 4.4Å; F318-L354 HydrophobicContact CG-CD1 4.22Å; F318-L354 HydrophobicContact CZ-CB 3.93Å; V351-L354 WeakPolarHBondContact O-CB 3.46Å; V351-L354 PolarHBondContact O-N 3.02Å; V352-L354 PolarHBondContact O-N 2.9Å; V352-L354 VanDerWaalsContact O-N 3.12Å; L354-P357 WeakPolarHBondContact O-CD 3.36Å |
| 355 | V | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -50.5 | -176.1 | 176.2 | 0 | 0 | 0 | 0 | 112 | F318 V351 V352 L358 V359 F377 I381 I398 | F318-V355 HydrophobicContact CE2-CG2 4.02Å; F318-V355 HydrophobicContact CZ-CG2 4.09Å; V351-V355 PolarHBondContact O-N 2.69Å; V352-V355 PolarHBondContact O-N 2.92Å; V355-L358 PolarHBondContact O-N 2.74Å; V355-V359 HydrophobicContact CG1-CG2 4.22Å; V355-V359 WeakPolarHBondContact O-CG2 3.34Å; V355-V359 PolarHBondContact O-N 2.97Å; V355-F377 HydrophobicContact CG1-CE1 3.98Å; V355-F377 HydrophobicContact CG1-CZ 4.21Å; V355-F377 HydrophobicContact CG2-CZ 4.28Å; V355-I381 HydrophobicContact CG1-CD1 4.37Å; V355-I381 HydrophobicContact CG1-CG1 4.31Å; V355-I381 HydrophobicContact CG1-CG2 4.49Å; V355-I381 HydrophobicContact CG2-CD1 3.88Å; V355-I398 HydrophobicContact CB-CD1 3.98Å; V355-I398 HydrophobicContact CB-CG1 4.25Å; V355-I398 HydrophobicContact CG1-CD1 4.2Å; V355-I398 HydrophobicContact CG1-CG1 4.23Å; V355-I398 HydrophobicContact CG1-CG2 3.82Å; V355-I398 HydrophobicContact CG2-CD1 4.25Å |
| 356 | R | 93.3 | Very high | 91.8 | Very high | 117 Ų | 117 | 46.7 Ų | 46.7 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.4 | -50.6 | -174.7 | 174.6 | -175.2 | -173.3 | -154.4 | 7.1 | 112.9 | L358 V359 Q360 A401 | R356-L358 VanDerWaalsContact C-N 3.28Å; R356-L358 PolarHBondContact O-N 3.3Å; R356-V359 PolarHBondContact O-N 3.46Å; R356-Q360 HydrophobicContact CG-CG 4.35Å; R356-Q360 WeakPolarHBondContact O-CB 3.31Å; R356-Q360 WeakPolarHBondContact O-CG 3.3Å; R356-Q360 PolarHBondContact O-N 2.94Å; R356-A401 HydrophobicContact CG-CB 4.24Å |
| 357 | P | 93.7 | Very high | 92 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 38% | 0.377 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.8 | -40.1 | 177.6 | -26.2 | 34.4 | 0 | 0 | 0 | 113.4 | W322 L354 T361 | W322-P357 HydrophobicContact CH2-CB 4.15Å; W322-P357 WeakPolarHBondContact CH2-O 3.5Å; W322-P357 HydrophobicContact CZ2-CB 4.12Å; L354-P357 WeakPolarHBondContact O-CD 3.36Å; P357-T361 WeakPolarHBondContact O-CB 3.49Å; P357-T361 PolarHBondContact O-N 2.93Å; P357-T361 VanDerWaalsContact O-N 3.14Å; P357-T361 PolarHBondContact O-OG1 3.24Å |
| 358 | L | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -50.3 | 180 | -178 | 69.5 | 0 | 0 | 0 | 111.4 | F318 L321 W322 V355 R356 Q360 T361 L362 F373 F377 | F318-L358 HydrophobicContact CE1-CB 4.42Å; F318-L358 HydrophobicContact CE1-CD2 3.96Å; F318-L358 HydrophobicContact CZ-CB 4.47Å; F318-L358 HydrophobicContact CZ-CD2 3.76Å; L321-L358 HydrophobicContact CB-CD1 4.35Å; L321-L358 HydrophobicContact CB-CD2 3.81Å; L321-L358 HydrophobicContact CD1-CD2 3.74Å; L321-L358 HydrophobicContact CG-CD2 4.46Å; W322-L358 HydrophobicContact CD2-CD1 3.63Å; W322-L358 HydrophobicContact CE3-CD1 3.87Å; W322-L358 HydrophobicContact CG-CD1 4.09Å; W322-L358 HydrophobicContact CH2-CB 4.29Å; W322-L358 HydrophobicContact CH2-CD1 4.32Å; W322-L358 HydrophobicContact CZ2-CB 3.93Å; W322-L358 HydrophobicContact CZ2-CD1 4.08Å; W322-L358 HydrophobicContact CZ3-CD1 4.21Å; V355-L358 PolarHBondContact O-N 2.74Å; R356-L358 VanDerWaalsContact C-N 3.28Å; R356-L358 PolarHBondContact O-N 3.3Å; L358-Q360 PolarHBondContact O-N 2.93Å; L358-T361 PolarHBondContact O-N 3Å; L358-L362 HydrophobicContact CD1-CD1 3.77Å; L358-L362 HydrophobicContact CD1-CG 4.26Å; L358-L362 HydrophobicContact CG-CD1 4.03Å; L358-L362 WeakPolarHBondContact O-CB 3.43Å; L358-L362 WeakPolarHBondContact O-CG 3.49Å; L358-L362 PolarHBondContact O-N 3.13Å; L358-L362 VanDerWaalsContact O-N 3.08Å; L358-F373 HydrophobicContact CD2-CE1 4.42Å; L358-F373 HydrophobicContact CD2-CZ 4.31Å; L358-F377 HydrophobicContact CD2-CE1 4.22Å; L358-F377 HydrophobicContact CD2-CE2 4.46Å; L358-F377 HydrophobicContact CD2-CZ 4.03Å |
| 359 | V | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | -179.8 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | V355 R356 T361 L362 N363 L374 F377 A401 I402 F405 | V355-V359 HydrophobicContact CG1-CG2 4.22Å; V355-V359 WeakPolarHBondContact O-CG2 3.34Å; V355-V359 PolarHBondContact O-N 2.97Å; R356-V359 PolarHBondContact O-N 3.46Å; V359-T361 PolarHBondContact O-N 3.43Å; V359-L362 PolarHBondContact O-N 3.46Å; V359-N363 WeakPolarHBondContact O-CB 3.35Å; V359-N363 PolarHBondContact O-N 3.3Å; V359-L374 HydrophobicContact CB-CD2 4.41Å; V359-L374 HydrophobicContact CG1-CD2 4.38Å; V359-L374 HydrophobicContact CG2-CD2 4.16Å; V359-F377 HydrophobicContact CG2-CD1 4.12Å; V359-F377 HydrophobicContact CG2-CE1 3.79Å; V359-A401 HydrophobicContact CG1-CB 4.47Å; V359-A401 WeakPolarHBondContact CG1-O 3.49Å; V359-I402 HydrophobicContact CG1-CG2 4.09Å; V359-I402 HydrophobicContact CG2-CG2 4.11Å; V359-F405 HydrophobicContact CG1-CE2 4.2Å |
| 360 | Q | 91.6 | Very high | 91.5 | Very high | 90 Ų | 90 | 53.1 Ų | 53.1 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.5 | -47.6 | -179.2 | -72.9 | 179.3 | -25.3 | 0 | 0 | 111.8 | R356 L358 N363 T364 | R356-Q360 HydrophobicContact CG-CG 4.35Å; R356-Q360 WeakPolarHBondContact O-CB 3.31Å; R356-Q360 WeakPolarHBondContact O-CG 3.3Å; R356-Q360 PolarHBondContact O-N 2.94Å; L358-Q360 PolarHBondContact O-N 2.93Å; Q360-N363 PolarHBondContact O-N 2.84Å; Q360-T364 WeakPolarHBondContact O-CG2 3.46Å; Q360-T364 PolarHBondContact O-N 3.07Å; Q360-T364 PolarHBondContact O-OG1 3.48Å |
| 361 | T | 92.6 | Very high | 91.3 | Very high | 70 Ų | 70 | 55.2 Ų | 55.2 | 43% | 0.429 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.5 | -47.5 | -178.3 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | W322 P357 L358 V359 T364 D365 | W322-T361 HydrophobicContact CZ3-CG2 3.99Å; P357-T361 WeakPolarHBondContact O-CB 3.49Å; P357-T361 PolarHBondContact O-N 2.93Å; P357-T361 VanDerWaalsContact O-N 3.14Å; P357-T361 PolarHBondContact O-OG1 3.24Å; L358-T361 PolarHBondContact O-N 3Å; V359-T361 PolarHBondContact O-N 3.43Å; T361-T364 PolarHBondContact O-N 3.13Å; T361-T364 PolarHBondContact O-OG1 2.93Å; T361-D365 PolarHBondContact O-N 2.87Å |
| 362 | L | 91.4 | Very high | 91.2 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.037 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -73.5 | -26.5 | -178.1 | -64.8 | -178.1 | 0 | 0 | 0 | 113.2 | R327 L358 V359 T364 F373 L374 | R327-L362 VanDerWaalsContact NH2-CD2 3.31Å; L358-L362 HydrophobicContact CD1-CD1 3.77Å; L358-L362 HydrophobicContact CD1-CG 4.26Å; L358-L362 HydrophobicContact CG-CD1 4.03Å; L358-L362 WeakPolarHBondContact O-CB 3.43Å; L358-L362 WeakPolarHBondContact O-CG 3.49Å; L358-L362 PolarHBondContact O-N 3.13Å; L358-L362 VanDerWaalsContact O-N 3.08Å; V359-L362 PolarHBondContact O-N 3.46Å; L362-T364 VanDerWaalsContact C-N 3.33Å; L362-F373 HydrophobicContact CD1-CD1 3.65Å; L362-F373 HydrophobicContact CD1-CE1 3.45Å; L362-F373 VanDerWaalsContact CD1-CE1 3.45Å; L362-L374 HydrophobicContact CB-CD1 3.91Å; L362-L374 HydrophobicContact CB-CD2 4.17Å; L362-L374 HydrophobicContact CB-CG 4.2Å; L362-L374 HydrophobicContact CD1-CD2 4.4Å |
| 363 | N | 88.8 | Confident | 91.2 | Very high | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.4 | -32.3 | 175 | -164.6 | 31.5 | 0 | 0 | 0 | 111 | V359 Q360 L374 F405 | V359-N363 WeakPolarHBondContact O-CB 3.35Å; V359-N363 PolarHBondContact O-N 3.3Å; Q360-N363 PolarHBondContact O-N 2.84Å; N363-L374 HydrophobicContact CB-CD1 4.09Å; N363-F405 HydrophobicContact CB-CZ 4.46Å |
| 364 | T | 88.4 | Confident | 91.2 | Very high | 117 Ų | 117 | 54.7 Ų | 54.7 | 72% | 0.718 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -79.8 | -14.8 | 178.8 | 55.8 | 0 | 0 | 0 | 0 | 114.9 | Q360 T361 L362 G366 | Q360-T364 WeakPolarHBondContact O-CG2 3.46Å; Q360-T364 PolarHBondContact O-N 3.07Å; Q360-T364 PolarHBondContact O-OG1 3.48Å; T361-T364 PolarHBondContact O-N 3.13Å; T361-T364 PolarHBondContact O-OG1 2.93Å; L362-T364 VanDerWaalsContact C-N 3.33Å; T364-G366 VanDerWaalsContact C-N 3.31Å; T364-G366 PolarHBondContact O-N 3.45Å |
| 365 | D | 88.6 | Confident | 91.2 | Very high | 59 Ų | 59 | 56.2 Ų | 56.2 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -17.6 | -175.1 | 75.5 | 15.5 | 0 | 0 | 0 | 114.1 | T361 L367 S370 | T361-D365 PolarHBondContact O-N 2.87Å; D365-L367 HydrophobicContact CB-CG 4.46Å; D365-L367 PolarHBondContact O-N 3.19Å; D365-L367 WeakPolarHBondContact OD1-CB 3.45Å; D365-L367 PolarHBondContact OD1-N 3.37Å; D365-S370 VanDerWaalsContact OD1-CB 3.28Å; D365-S370 WeakPolarHBondContact OD1-CB 3.37Å; D365-S370 PolarHBondContact OD1-OG 2.94Å; D365-S370 VanDerWaalsContact OD2-CB 3.25Å; D365-S370 WeakPolarHBondContact OD2-CB 2.98Å; D365-S370 PolarHBondContact OD2-OG 3.04Å |
| 366 | G | 81.3 | Confident | 91.1 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 54% | 0.536 | 34% | 0.339 | S | S | . | . | trans | 68.1 | 11.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T364 | T364-G366 VanDerWaalsContact C-N 3.31Å; T364-G366 PolarHBondContact O-N 3.45Å | ||
| 367 | L | 90.4 | Very high | 91.2 | Very high | 90 Ų | 90 | 54.8 Ų | 54.8 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | trans | -84.7 | 130.6 | -176.9 | -64.5 | 174.5 | 0 | 0 | 0 | 111.4 | D365 T369 S370 Q371 | D365-L367 HydrophobicContact CB-CG 4.46Å; D365-L367 PolarHBondContact O-N 3.19Å; D365-L367 WeakPolarHBondContact OD1-CB 3.45Å; D365-L367 PolarHBondContact OD1-N 3.37Å; L367-T369 PolarHBondContact O-N 3.22Å; L367-S370 WeakPolarHBondContact O-CB 3.19Å; L367-S370 PolarHBondContact O-N 2.82Å; L367-Q371 PolarHBondContact O-N 3.09Å | ||
| 368 | P | 88.8 | Confident | 91.2 | Very high | 92 Ų | 92 | 52.1 Ų | 52.1 | 60% | 0.597 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.4 | -31.7 | 177.8 | -25.3 | 33.6 | 0 | 0 | 0 | 114 | Q371 T372 | P368-Q371 PolarHBondContact O-N 3.34Å; P368-T372 PolarHBondContact O-N 3.37Å; P368-T372 PolarHBondContact O-OG1 3.08Å |
| 369 | T | 89.4 | Confident | 91.2 | Very high | 102 Ų | 102 | 54.7 Ų | 54.7 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.8 | -39.7 | 175.9 | 48.6 | 0 | 0 | 0 | 0 | 111.8 | L367 T372 F373 | L367-T369 PolarHBondContact O-N 3.22Å; T369-T372 PolarHBondContact O-N 2.92Å; T369-F373 WeakPolarHBondContact O-CB 3.32Å; T369-F373 PolarHBondContact O-N 2.95Å |
| 370 | S | 91.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | 173.4 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | R327 D365 L367 F373 L374 | R327-S370 PolarHBondContact NH1-OG 3.3Å; D365-S370 VanDerWaalsContact OD1-CB 3.28Å; D365-S370 WeakPolarHBondContact OD1-CB 3.37Å; D365-S370 PolarHBondContact OD1-OG 2.94Å; D365-S370 VanDerWaalsContact OD2-CB 3.25Å; D365-S370 WeakPolarHBondContact OD2-CB 2.98Å; D365-S370 PolarHBondContact OD2-OG 3.04Å; L367-S370 WeakPolarHBondContact O-CB 3.19Å; L367-S370 PolarHBondContact O-N 2.82Å; S370-F373 WeakPolarHBondContact O-CB 3.14Å; S370-F373 PolarHBondContact O-N 3.28Å; S370-L374 WeakPolarHBondContact O-CB 3.45Å; S370-L374 VanDerWaalsContact O-CG 3.27Å; S370-L374 WeakPolarHBondContact O-CG 3.26Å; S370-L374 PolarHBondContact O-N 3.04Å |
| 371 | Q | 89 | Confident | 91.4 | Very high | 99 Ų | 99 | 50.9 Ų | 50.9 | 46% | 0.463 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 175 | -69.8 | -175.1 | -9.2 | 0 | 0 | 112.5 | L367 P368 F373 L374 L375 | L367-Q371 PolarHBondContact O-N 3.09Å; P368-Q371 PolarHBondContact O-N 3.34Å; Q371-F373 VanDerWaalsContact C-N 3.32Å; Q371-F373 PolarHBondContact O-N 2.86Å; Q371-L374 PolarHBondContact O-N 3.33Å; Q371-L375 WeakPolarHBondContact O-CG 3.19Å; Q371-L375 PolarHBondContact O-N 3.41Å |
| 372 | T | 91.3 | Very high | 91.5 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 177.4 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | P368 T369 Q376 | P368-T372 PolarHBondContact O-N 3.37Å; P368-T372 PolarHBondContact O-OG1 3.08Å; T369-T372 PolarHBondContact O-N 2.92Å; T372-Q376 PolarHBondContact O-N 3.23Å |
| 373 | F | 94.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 173.7 | 162.7 | -96.4 | 0 | 0 | 0 | 111.8 | L321 R327 L331 L358 L362 T369 S370 Q371 L375 Q376 F377 | L321-F373 HydrophobicContact CB-CZ 4.28Å; L321-F373 HydrophobicContact CD1-CZ 4.32Å; L321-F373 HydrophobicContact CD2-CE2 3.99Å; L321-F373 HydrophobicContact CD2-CZ 4.18Å; R327-F373 VanDerWaalsContact CD-CG 3.48Å; R327-F373 HydrophobicContact CG-CD2 3.51Å; R327-F373 HydrophobicContact CG-CE2 3.47Å; R327-F373 VanDerWaalsContact CG-CE2 3.47Å; R327-F373 HydrophobicContact CG-CG 4.06Å; R327-F373 HydrophobicContact CG-CZ 4.01Å; L331-F373 HydrophobicContact CB-CE2 4.07Å; L331-F373 HydrophobicContact CD1-CE2 4.19Å; L331-F373 HydrophobicContact CD2-CD2 3.76Å; L331-F373 HydrophobicContact CD2-CE2 3.76Å; L331-F373 HydrophobicContact CG-CE2 4.22Å; L358-F373 HydrophobicContact CD2-CE1 4.42Å; L358-F373 HydrophobicContact CD2-CZ 4.31Å; L362-F373 HydrophobicContact CD1-CD1 3.65Å; L362-F373 HydrophobicContact CD1-CE1 3.45Å; L362-F373 VanDerWaalsContact CD1-CE1 3.45Å; T369-F373 WeakPolarHBondContact O-CB 3.32Å; T369-F373 PolarHBondContact O-N 2.95Å; S370-F373 WeakPolarHBondContact O-CB 3.14Å; S370-F373 PolarHBondContact O-N 3.28Å; Q371-F373 VanDerWaalsContact C-N 3.32Å; Q371-F373 PolarHBondContact O-N 2.86Å; F373-L375 VanDerWaalsContact C-N 3.3Å; F373-L375 PolarHBondContact O-N 3.43Å; F373-Q376 PolarHBondContact O-N 3.36Å; F373-Q376 VanDerWaalsContact O-N 3.17Å; F373-F377 HydrophobicContact CE1-CB 4.09Å; F373-F377 HydrophobicContact CE1-CG 4.24Å; F373-F377 HydrophobicContact CE2-CB 4.26Å; F373-F377 HydrophobicContact CZ-CB 3.93Å; F373-F377 HydrophobicContact CZ-CD2 4.12Å; F373-F377 AromaticContact CZ-CG 3.97Å; F373-F377 HydrophobicContact CZ-CG 3.97Å; F373-F377 WeakPolarHBondContact O-CB 3.34Å; F373-F377 PolarHBondContact O-N 2.97Å |
| 374 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.8 | -39.7 | -178.1 | -74.3 | 172.7 | 0 | 0 | 0 | 111.3 | V359 L362 N363 S370 Q371 Q376 F377 T378 F405 | V359-L374 HydrophobicContact CB-CD2 4.41Å; V359-L374 HydrophobicContact CG1-CD2 4.38Å; V359-L374 HydrophobicContact CG2-CD2 4.16Å; L362-L374 HydrophobicContact CB-CD1 3.91Å; L362-L374 HydrophobicContact CB-CD2 4.17Å; L362-L374 HydrophobicContact CB-CG 4.2Å; L362-L374 HydrophobicContact CD1-CD2 4.4Å; N363-L374 HydrophobicContact CB-CD1 4.09Å; S370-L374 WeakPolarHBondContact O-CB 3.45Å; S370-L374 VanDerWaalsContact O-CG 3.27Å; S370-L374 WeakPolarHBondContact O-CG 3.26Å; S370-L374 PolarHBondContact O-N 3.04Å; Q371-L374 PolarHBondContact O-N 3.33Å; L374-Q376 VanDerWaalsContact C-N 3.34Å; L374-Q376 PolarHBondContact O-N 2.65Å; L374-F377 PolarHBondContact O-N 3.03Å; L374-T378 WeakPolarHBondContact O-CB 3.49Å; L374-T378 VanDerWaalsContact O-CG2 3.31Å; L374-T378 WeakPolarHBondContact O-CG2 3.18Å; L374-T378 PolarHBondContact O-N 2.67Å; L374-T378 PolarHBondContact O-OG1 3.03Å; L374-F405 HydrophobicContact CB-CD1 4.21Å; L374-F405 HydrophobicContact CB-CE1 3.5Å; L374-F405 HydrophobicContact CB-CZ 3.86Å; L374-F405 HydrophobicContact CD1-CE1 4.05Å; L374-F405 HydrophobicContact CD1-CZ 3.64Å; L374-F405 HydrophobicContact CG-CE1 4.39Å; L374-F405 HydrophobicContact CG-CZ 4.29Å |
| 375 | L | 92.9 | Very high | 91.8 | Very high | 78 Ų | 78 | 40.4 Ų | 40.4 | 41% | 0.408 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.3 | -47.5 | 174.8 | -69.2 | 171.8 | 0 | 0 | 0 | 112.6 | Q371 F373 T378 E379 F405 P406 | Q371-L375 WeakPolarHBondContact O-CG 3.19Å; Q371-L375 PolarHBondContact O-N 3.41Å; F373-L375 VanDerWaalsContact C-N 3.3Å; F373-L375 PolarHBondContact O-N 3.43Å; L375-T378 PolarHBondContact O-OG1 2.95Å; L375-E379 WeakPolarHBondContact O-CB 3.1Å; L375-E379 PolarHBondContact O-N 2.91Å; L375-F405 HydrophobicContact CD2-CD1 4.2Å; L375-P406 HydrophobicContact CD2-CG 3.51Å |
| 376 | Q | 93.1 | Very high | 91.8 | Very high | 88 Ų | 88 | 40.2 Ų | 40.2 | 41% | 0.411 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.9 | -41.2 | 178.5 | -65.4 | -176.9 | -20.3 | 0 | 0 | 111.8 | L331 T372 F373 L374 E379 L380 | L331-Q376 HydrophobicContact CD2-CB 3.89Å; T372-Q376 PolarHBondContact O-N 3.23Å; F373-Q376 PolarHBondContact O-N 3.36Å; F373-Q376 VanDerWaalsContact O-N 3.17Å; L374-Q376 VanDerWaalsContact C-N 3.34Å; L374-Q376 PolarHBondContact O-N 2.65Å; Q376-E379 PolarHBondContact O-N 3.41Å; Q376-L380 PolarHBondContact O-N 3.44Å; Q376-L380 VanDerWaalsContact O-N 3.13Å |
| 377 | F | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.3 | -46.2 | -179.4 | 179.2 | -107.6 | 0 | 0 | 0 | 111.8 | F318 L321 L331 L334 V355 L358 V359 F373 L374 E379 L380 I381 | F318-F377 AromaticContact CE2-CE2 3.8Å; F318-F377 HydrophobicContact CE2-CE2 3.8Å; F318-F377 AromaticContact CE2-CZ 3.62Å; F318-F377 HydrophobicContact CE2-CZ 3.62Å; F318-F377 HydrophobicContact CZ-CE2 4.32Å; F318-F377 AromaticContact CZ-CZ 3.8Å; F318-F377 HydrophobicContact CZ-CZ 3.8Å; L321-F377 HydrophobicContact CD1-CD2 4.27Å; L321-F377 HydrophobicContact CD1-CE2 3.81Å; L331-F377 HydrophobicContact CD1-CB 4.3Å; L331-F377 HydrophobicContact CD1-CD2 3.81Å; L334-F377 HydrophobicContact CD2-CE2 4.28Å; V355-F377 HydrophobicContact CG1-CE1 3.98Å; V355-F377 HydrophobicContact CG1-CZ 4.21Å; V355-F377 HydrophobicContact CG2-CZ 4.28Å; L358-F377 HydrophobicContact CD2-CE1 4.22Å; L358-F377 HydrophobicContact CD2-CE2 4.46Å; L358-F377 HydrophobicContact CD2-CZ 4.03Å; V359-F377 HydrophobicContact CG2-CD1 4.12Å; V359-F377 HydrophobicContact CG2-CE1 3.79Å; F373-F377 HydrophobicContact CE1-CB 4.09Å; F373-F377 HydrophobicContact CE1-CG 4.24Å; F373-F377 HydrophobicContact CE2-CB 4.26Å; F373-F377 HydrophobicContact CZ-CB 3.93Å; F373-F377 HydrophobicContact CZ-CD2 4.12Å; F373-F377 AromaticContact CZ-CG 3.97Å; F373-F377 HydrophobicContact CZ-CG 3.97Å; F373-F377 WeakPolarHBondContact O-CB 3.34Å; F373-F377 PolarHBondContact O-N 2.97Å; L374-F377 PolarHBondContact O-N 3.03Å; F377-E379 VanDerWaalsContact C-N 3.29Å; F377-E379 PolarHBondContact O-N 3.39Å; F377-L380 WeakPolarHBondContact O-CB 3.37Å; F377-L380 PolarHBondContact O-N 3.49Å; F377-I381 HydrophobicContact CD1-CG1 4.26Å; F377-I381 HydrophobicContact CD2-CG1 4.48Å; F377-I381 HydrophobicContact CE1-CD1 4.4Å; F377-I381 HydrophobicContact CE1-CG1 3.91Å; F377-I381 HydrophobicContact CE2-CD1 4.06Å; F377-I381 HydrophobicContact CE2-CG1 4.16Å; F377-I381 HydrophobicContact CZ-CD1 3.86Å; F377-I381 HydrophobicContact CZ-CG1 3.86Å; F377-I381 VanDerWaalsContact O-CG1 3.31Å; F377-I381 WeakPolarHBondContact O-CG1 3.43Å; F377-I381 PolarHBondContact O-N 2.79Å |
| 378 | T | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.8 | -34.6 | 177.2 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | L374 L375 I381 H382 I402 F405 | L374-T378 WeakPolarHBondContact O-CB 3.49Å; L374-T378 VanDerWaalsContact O-CG2 3.31Å; L374-T378 WeakPolarHBondContact O-CG2 3.18Å; L374-T378 PolarHBondContact O-N 2.67Å; L374-T378 PolarHBondContact O-OG1 3.03Å; L375-T378 PolarHBondContact O-OG1 2.95Å; T378-I381 PolarHBondContact O-N 2.64Å; T378-H382 WeakPolarHBondContact O-CB 3.42Å; T378-H382 PolarHBondContact O-CD2 2.82Å; T378-H382 PolarHBondContact O-N 3.22Å; T378-I402 HydrophobicContact CG2-CB 3.84Å; T378-I402 HydrophobicContact CG2-CG2 3.6Å; T378-F405 HydrophobicContact CG2-CB 4Å; T378-F405 HydrophobicContact CG2-CD1 4.37Å; T378-F405 HydrophobicContact CG2-CD2 3.94Å; T378-F405 HydrophobicContact CG2-CG 3.83Å |
| 379 | E | 93.7 | Very high | 91.7 | Very high | 54 Ų | 54 | 36.4 Ų | 36.4 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 171.7 | -179.1 | 174.1 | 162.2 | 0 | 0 | 111.3 | L375 Q376 F377 I381 H382 C383 P408 K412 | L375-E379 WeakPolarHBondContact O-CB 3.1Å; L375-E379 PolarHBondContact O-N 2.91Å; Q376-E379 PolarHBondContact O-N 3.41Å; F377-E379 VanDerWaalsContact C-N 3.29Å; F377-E379 PolarHBondContact O-N 3.39Å; E379-I381 PolarHBondContact O-N 3.31Å; E379-H382 PolarHBondContact O-N 2.82Å; E379-C383 PolarHBondContact O-N 3.48Å; E379-C383 PolarHBondContact O-SG 2.93Å; E379-P408 HydrophobicContact CG-CB 4.29Å; E379-P408 HydrophobicContact CG-CG 4.18Å; E379-K412 WeakPolarHBondContact OE1-CE 3.3Å; E379-K412 IonicContact OE1-NZ 3.89Å; E379-K412 PolarHBondContact OE1-NZ 3.31Å; E379-K412 IonicContact OE2-NZ 3.73Å; E379-K412 PolarHBondContact OE2-NZ 3.4Å |
| 380 | L | 94.6 | Very high | 91.2 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 175.3 | 173.8 | 63.7 | 0 | 0 | 0 | 112 | L331 L338 L339 Q376 F377 H382 C383 M384 | L331-L380 HydrophobicContact CD1-CD2 4.17Å; L338-L380 HydrophobicContact CB-CD1 4.49Å; L338-L380 HydrophobicContact CD1-CD2 4.23Å; L338-L380 HydrophobicContact CD1-CG 4.5Å; L339-L380 HydrophobicContact CD1-CD1 4.18Å; L339-L380 HydrophobicContact CD2-CD1 4.16Å; L339-L380 HydrophobicContact CG-CD1 3.82Å; Q376-L380 PolarHBondContact O-N 3.44Å; Q376-L380 VanDerWaalsContact O-N 3.13Å; F377-L380 WeakPolarHBondContact O-CB 3.37Å; F377-L380 PolarHBondContact O-N 3.49Å; L380-H382 VanDerWaalsContact C-N 3.34Å; L380-H382 PolarHBondContact O-N 3.21Å; L380-C383 WeakPolarHBondContact O-CB 3.38Å; L380-C383 PolarHBondContact O-N 2.7Å; L380-M384 HydrophobicContact CD1-CG 4.34Å; L380-M384 WeakPolarHBondContact O-CG 3.23Å; L380-M384 PolarHBondContact O-N 3.34Å |
| 381 | I | 95.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 178.9 | -63.2 | -60.6 | 0 | 0 | 0 | 110.9 | F348 V355 F377 T378 E379 M384 M385 I398 I402 | F348-I381 HydrophobicContact CE2-CD1 3.88Å; F348-I381 HydrophobicContact CZ-CG2 4.46Å; V355-I381 HydrophobicContact CG1-CD1 4.37Å; V355-I381 HydrophobicContact CG1-CG1 4.31Å; V355-I381 HydrophobicContact CG1-CG2 4.49Å; V355-I381 HydrophobicContact CG2-CD1 3.88Å; F377-I381 HydrophobicContact CD1-CG1 4.26Å; F377-I381 HydrophobicContact CD2-CG1 4.48Å; F377-I381 HydrophobicContact CE1-CD1 4.4Å; F377-I381 HydrophobicContact CE1-CG1 3.91Å; F377-I381 HydrophobicContact CE2-CD1 4.06Å; F377-I381 HydrophobicContact CE2-CG1 4.16Å; F377-I381 HydrophobicContact CZ-CD1 3.86Å; F377-I381 HydrophobicContact CZ-CG1 3.86Å; F377-I381 VanDerWaalsContact O-CG1 3.31Å; F377-I381 WeakPolarHBondContact O-CG1 3.43Å; F377-I381 PolarHBondContact O-N 2.79Å; T378-I381 PolarHBondContact O-N 2.64Å; E379-I381 PolarHBondContact O-N 3.31Å; I381-M384 PolarHBondContact O-N 2.72Å; I381-M385 HydrophobicContact CG2-CE 3.91Å; I381-M385 HydrophobicContact CG2-CG 4.36Å; I381-M385 HydrophobicContact CG2-SD 4.13Å; I381-M385 WeakPolarHBondContact O-CG 3.35Å; I381-M385 PolarHBondContact O-N 3.19Å; I381-I398 HydrophobicContact CG2-CG2 3.76Å; I381-I402 HydrophobicContact CG2-CD1 4.4Å |
| 382 | H | 93 | Very high | 90.2 | Very high | 18 Ų | 18 | 34 Ų | 34 | 8% | 0.083 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 173 | -81.7 | -58.6 | 0 | 0 | 0 | 112.5 | T378 E379 L380 M384 Y386 I402 P408 | T378-H382 WeakPolarHBondContact O-CB 3.42Å; T378-H382 PolarHBondContact O-CD2 2.82Å; T378-H382 PolarHBondContact O-N 3.22Å; E379-H382 PolarHBondContact O-N 2.82Å; L380-H382 VanDerWaalsContact C-N 3.34Å; L380-H382 PolarHBondContact O-N 3.21Å; H382-M384 VanDerWaalsContact C-N 3.32Å; H382-M384 PolarHBondContact O-N 2.88Å; H382-Y386 VanDerWaalsContact O-CB 3.27Å; H382-Y386 WeakPolarHBondContact O-CB 3.4Å; H382-Y386 PolarHBondContact O-N 3.16Å; H382-I402 VanDerWaalsContact CE1-CD1 3.45Å; H382-I402 WeakPolarHBondContact CE1-CD1 3.47Å; H382-I402 WeakPolarHBondContact NE2-CD1 3.26Å; H382-P408 HydrophobicContact CB-CG 3.76Å |
| 383 | C | 91.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 174.6 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | L339 E379 L380 Y386 Q387 I413 | L339-C383 HydrophobicContact CD2-CB 4.49Å; E379-C383 PolarHBondContact O-N 3.48Å; E379-C383 PolarHBondContact O-SG 2.93Å; L380-C383 WeakPolarHBondContact O-CB 3.38Å; L380-C383 PolarHBondContact O-N 2.7Å; C383-Y386 PolarHBondContact O-N 3.4Å; C383-Q387 WeakPolarHBondContact O-CB 3.41Å; C383-Q387 PolarHBondContact O-N 2.91Å; C383-I413 HydrophobicContact CB-CG2 4.25Å |
| 384 | M | 92.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.1 | -42.6 | 179.6 | -67.3 | -58.2 | 96 | 0 | 0 | 113.1 | L338 L339 F348 L380 I381 H382 Y386 Q387 Y388 L417 | L338-M384 HydrophobicContact CB-CG 4.23Å; L338-M384 HydrophobicContact CB-SD 3.75Å; L338-M384 HydrophobicContact CD1-CG 4.26Å; L339-M384 HydrophobicContact CD2-CE 3.46Å; L339-M384 VanDerWaalsContact CD2-CE 3.46Å; L339-M384 HydrophobicContact CG-CE 4.22Å; F348-M384 HydrophobicContact CD1-CB 3.9Å; F348-M384 HydrophobicContact CD2-CB 3.58Å; F348-M384 HydrophobicContact CD2-CG 3.89Å; F348-M384 HydrophobicContact CE1-CB 3.76Å; F348-M384 HydrophobicContact CE2-CB 3.45Å; F348-M384 VanDerWaalsContact CE2-CB 3.45Å; F348-M384 HydrophobicContact CE2-CG 4.05Å; F348-M384 HydrophobicContact CG-CB 3.82Å; F348-M384 HydrophobicContact CG-CG 4.33Å; F348-M384 HydrophobicContact CZ-CB 3.55Å; L380-M384 HydrophobicContact CD1-CG 4.34Å; L380-M384 WeakPolarHBondContact O-CG 3.23Å; L380-M384 PolarHBondContact O-N 3.34Å; I381-M384 PolarHBondContact O-N 2.72Å; H382-M384 VanDerWaalsContact C-N 3.32Å; H382-M384 PolarHBondContact O-N 2.88Å; M384-Y386 VanDerWaalsContact C-N 3.26Å; M384-Y386 PolarHBondContact O-N 3.27Å; M384-Q387 PolarHBondContact O-N 3.21Å; M384-Y388 WeakPolarHBondContact O-CB 3.42Å; M384-Y388 WeakPolarHBondContact O-CD2 3.37Å; M384-Y388 PolarHBondContact O-N 3.17Å; M384-Y388 HydrophobicContact SD-CE2 4.34Å; M384-L417 HydrophobicContact CE-CD2 3.71Å |
| 385 | M | 91.7 | Very high | 89.3 | Confident | 17 Ų | 17 | 38.7 Ų | 38.7 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.8 | -30.4 | 174.4 | -67.8 | -175.7 | -55.1 | 0 | 0 | 112.2 | F348 I381 Y388 S389 Y395 I398 L399 I402 | F348-M385 HydrophobicContact CE1-CG 3.97Å; F348-M385 HydrophobicContact CZ-CG 3.85Å; I381-M385 HydrophobicContact CG2-CE 3.91Å; I381-M385 HydrophobicContact CG2-CG 4.36Å; I381-M385 HydrophobicContact CG2-SD 4.13Å; I381-M385 WeakPolarHBondContact O-CG 3.35Å; I381-M385 PolarHBondContact O-N 3.19Å; M385-Y388 CarbonylContact O-C 3.44Å; M385-S389 WeakPolarHBondContact O-CA 3.47Å; M385-S389 PolarHBondContact O-N 2.92Å; M385-Y395 HydrophobicContact CB-CD2 4.12Å; M385-Y395 HydrophobicContact CB-CE2 4.23Å; M385-Y395 HydrophobicContact CG-CD1 4.13Å; M385-Y395 HydrophobicContact CG-CD2 3.9Å; M385-Y395 HydrophobicContact CG-CE1 4.35Å; M385-Y395 HydrophobicContact CG-CE2 4.12Å; M385-Y395 HydrophobicContact CG-CG 3.92Å; M385-Y395 HydrophobicContact SD-CD1 4.3Å; M385-Y395 HydrophobicContact SD-CD2 4.33Å; M385-Y395 HydrophobicContact SD-CG 3.92Å; M385-I398 HydrophobicContact SD-CB 4.45Å; M385-I398 HydrophobicContact SD-CG2 4.08Å; M385-L399 HydrophobicContact CE-CD2 3.64Å; M385-L399 HydrophobicContact CE-CG 4.28Å; M385-L399 HydrophobicContact SD-CD2 4.3Å; M385-L399 HydrophobicContact SD-CG 4.32Å; M385-I402 HydrophobicContact CE-CD1 3.86Å |
| 386 | Y | 89.5 | Confident | 89.1 | Confident | 55 Ų | 55 | 39 Ų | 39 | 22% | 0.216 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.4 | -45.9 | 173.4 | -178.7 | -85.1 | 0 | 0 | 0 | 111.7 | H382 C383 M384 E410 I413 K414 L417 | H382-Y386 VanDerWaalsContact O-CB 3.27Å; H382-Y386 WeakPolarHBondContact O-CB 3.4Å; H382-Y386 PolarHBondContact O-N 3.16Å; C383-Y386 PolarHBondContact O-N 3.4Å; M384-Y386 VanDerWaalsContact C-N 3.26Å; M384-Y386 PolarHBondContact O-N 3.27Å; Y386-E410 HydrophobicContact CE2-CG 3.82Å; Y386-E410 PolarHBondContact OH-OE1 3.46Å; Y386-E410 VanDerWaalsContact OH-OE1 3.04Å; Y386-I413 HydrophobicContact CD1-CG2 3.5Å; Y386-I413 VanDerWaalsContact CD1-CG2 3.5Å; Y386-I413 HydrophobicContact CD2-CD1 4.18Å; Y386-I413 HydrophobicContact CE1-CG2 4.23Å; Y386-I413 HydrophobicContact CG-CD1 4.19Å; Y386-I413 HydrophobicContact CG-CG2 3.69Å; Y386-K414 WeakPolarHBondContact OH-CE 3.27Å; Y386-L417 HydrophobicContact CD1-CD1 4.1Å |
| 387 | Q | 86.7 | Confident | 88.8 | Confident | 69 Ų | 69 | 40.2 Ų | 40.2 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.9 | 177.8 | 61.5 | 20.1 | 0 | 0 | 111.7 | C383 M384 L417 | C383-Q387 WeakPolarHBondContact O-CB 3.41Å; C383-Q387 PolarHBondContact O-N 2.91Å; M384-Q387 PolarHBondContact O-N 3.21Å; Q387-L417 HydrophobicContact CB-CD1 4.1Å; Q387-L417 HydrophobicContact CB-CD2 3.97Å; Q387-L417 HydrophobicContact CG-CD2 4.28Å |
| 388 | Y | 86.3 | Confident | 88.5 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 47.2 | -179.9 | -59.6 | -56.7 | 0 | 0 | 0 | 112 | F341 Q342 S344 P345 F348 M384 M385 F391 Y395 | F341-Y388 PolarHBondContact O-OH 3.37Å; Q342-Y388 WeakPolarHBondContact CA-OH 3.43Å; Q342-Y388 PolarHBondContact O-OH 2.92Å; S344-Y388 VanDerWaalsContact O-CZ 3.28Å; S344-Y388 PolarHBondContact O-OH 3.31Å; P345-Y388 HydrophobicContact CB-CD1 3.63Å; P345-Y388 HydrophobicContact CB-CD2 4.26Å; P345-Y388 HydrophobicContact CB-CE1 4.09Å; P345-Y388 HydrophobicContact CB-CG 3.72Å; P345-Y388 HydrophobicContact CG-CD1 4.45Å; F348-Y388 HydrophobicContact CB-CD2 4.06Å; F348-Y388 HydrophobicContact CB-CE2 4.14Å; F348-Y388 AromaticContact CD1-CD2 3.92Å; F348-Y388 HydrophobicContact CD1-CD2 3.92Å; F348-Y388 HydrophobicContact CG-CD2 4.3Å; M384-Y388 WeakPolarHBondContact O-CB 3.42Å; M384-Y388 WeakPolarHBondContact O-CD2 3.37Å; M384-Y388 PolarHBondContact O-N 3.17Å; M384-Y388 HydrophobicContact SD-CE2 4.34Å; M385-Y388 CarbonylContact O-C 3.44Å; Y388-F391 WeakPolarHBondContact O-CD2 3.47Å; Y388-Y395 VanDerWaalsContact O-CE2 3.3Å; Y388-Y395 WeakPolarHBondContact O-CE2 3.15Å; Y388-Y395 PolarHBondContact O-OH 3.49Å |
| 389 | S | 84.9 | Confident | 88.4 | Confident | 67 Ų | 67 | 43.9 Ų | 43.9 | 47% | 0.469 | 23% | 0.23 | S | C | . | . | trans | -60.5 | 146.5 | 171.7 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | M385 | M385-S389 WeakPolarHBondContact O-CA 3.47Å; M385-S389 PolarHBondContact O-N 2.92Å | ||
| 390 | G | 78.5 | Confident | 88.2 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 128.4 | -1.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F920 | G390-F920 WeakPolarHBondContact O-CE1 3.49Å; G390-F920 WeakPolarHBondContact O-CZ 3.41Å |
| 391 | F | 85 | Confident | 88 | Confident | 82 Ų | 82 | 47.2 Ų | 47.2 | 36% | 0.36 | 25% | 0.248 | S | C | . | . | trans | -130.4 | 59.7 | -174.8 | -51.1 | -83.9 | 0 | 0 | 0 | 113.1 | P345 H349 Y388 L394 Y395 | P345-F391 HydrophobicContact CB-CE2 4.39Å; P345-F391 HydrophobicContact CG-CE2 4.41Å; P345-F391 HydrophobicContact CG-CZ 4.33Å; H349-F391 AromaticContact CE1-CD1 3.82Å; H349-F391 AromaticContact CE1-CD2 3.68Å; H349-F391 AromaticContact CE1-CE1 3.71Å; H349-F391 AromaticContact CE1-CE2 3.58Å; H349-F391 AromaticContact CE1-CG 3.81Å; H349-F391 AromaticContact CE1-CZ 3.59Å; H349-F391 AromaticContact NE2-CD2 3.56Å; H349-F391 AromaticContact NE2-CE2 3.78Å; H349-F391 AromaticContact NE2-CG 3.88Å; Y388-F391 WeakPolarHBondContact O-CD2 3.47Å; F391-L394 HydrophobicContact CB-CB 4.02Å; F391-L394 HydrophobicContact CB-CD2 4.32Å; F391-L394 WeakPolarHBondContact O-CB 3.44Å; F391-L394 PolarHBondContact O-N 3.22Å; F391-Y395 HydrophobicContact CB-CD2 4.25Å; F391-Y395 HydrophobicContact CB-CE1 4.41Å; F391-Y395 HydrophobicContact CB-CE2 3.86Å; F391-Y395 HydrophobicContact CD2-CE2 4.2Å; F391-Y395 WeakPolarHBondContact O-CD2 3.44Å; F391-Y395 VanDerWaalsContact O-CG 3.32Å; F391-Y395 PolarHBondContact O-N 3.28Å | ||
| 392 | P | 74 | Confident | 87.8 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 28% | 0.279 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.8 | -47.1 | -176.7 | 24.1 | -32.9 | 0 | 0 | 0 | 112.9 | L394 Y395 D396 | P392-L394 PolarHBondContact O-N 2.9Å; P392-Y395 PolarHBondContact O-N 2.8Å; P392-D396 WeakPolarHBondContact O-CB 3.41Å; P392-D396 PolarHBondContact O-N 2.85Å |
| 393 | D | 83.8 | Confident | 87.7 | Confident | 103 Ų | 103 | 52.1 Ų | 52.1 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -53.4 | -32.8 | 178.5 | -57.6 | -38.4 | 0 | 0 | 0 | 112.4 | H397 R919 | D393-H397 PolarHBondContact O-ND1 3.24Å; D393-R919 IonicContact OD2-NH2 3.47Å; D393-R919 PolarHBondContact OD2-NH2 2.94Å |
| 394 | L | 85.3 | Confident | 87.5 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -82.1 | -35.9 | 179.1 | -173 | 63.4 | 0 | 0 | 0 | 112.6 | V352 F391 P392 | V352-L394 HydrophobicContact CG1-CD1 3.59Å; V352-L394 HydrophobicContact CG1-CD2 3.98Å; V352-L394 HydrophobicContact CG1-CG 3.58Å; F391-L394 HydrophobicContact CB-CB 4.02Å; F391-L394 HydrophobicContact CB-CD2 4.32Å; F391-L394 WeakPolarHBondContact O-CB 3.44Å; F391-L394 PolarHBondContact O-N 3.22Å; P392-L394 PolarHBondContact O-N 2.9Å |
| 395 | Y | 92.7 | Very high | 87.5 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -95 | -20.6 | -172.5 | -61.3 | -23.4 | 0 | 0 | 0 | 114.7 | F348 H349 V352 M385 Y388 F391 P392 H397 I398 L399 | F348-Y395 HydrophobicContact CD1-CE1 4.37Å; F348-Y395 AromaticContact CE1-CE1 3.66Å; F348-Y395 HydrophobicContact CE1-CE1 3.66Å; F348-Y395 AromaticContact CE1-CZ 3.69Å; F348-Y395 WeakPolarHBondContact CE1-OH 3.49Å; F348-Y395 HydrophobicContact CZ-CE1 4.43Å; H349-Y395 PolarHBondContact CD2-OH 3.37Å; H349-Y395 AromaticContact NE2-CZ 3.89Å; H349-Y395 PolarHBondContact NE2-OH 3.02Å; V352-Y395 HydrophobicContact CG2-CD1 4.48Å; V352-Y395 HydrophobicContact CG2-CE1 3.93Å; M385-Y395 HydrophobicContact CB-CD2 4.12Å; M385-Y395 HydrophobicContact CB-CE2 4.23Å; M385-Y395 HydrophobicContact CG-CD1 4.13Å; M385-Y395 HydrophobicContact CG-CD2 3.9Å; M385-Y395 HydrophobicContact CG-CE1 4.35Å; M385-Y395 HydrophobicContact CG-CE2 4.12Å; M385-Y395 HydrophobicContact CG-CG 3.92Å; M385-Y395 HydrophobicContact SD-CD1 4.3Å; M385-Y395 HydrophobicContact SD-CD2 4.33Å; M385-Y395 HydrophobicContact SD-CG 3.92Å; Y388-Y395 VanDerWaalsContact O-CE2 3.3Å; Y388-Y395 WeakPolarHBondContact O-CE2 3.15Å; Y388-Y395 PolarHBondContact O-OH 3.49Å; F391-Y395 HydrophobicContact CB-CD2 4.25Å; F391-Y395 HydrophobicContact CB-CE1 4.41Å; F391-Y395 HydrophobicContact CB-CE2 3.86Å; F391-Y395 HydrophobicContact CD2-CE2 4.2Å; F391-Y395 WeakPolarHBondContact O-CD2 3.44Å; F391-Y395 VanDerWaalsContact O-CG 3.32Å; F391-Y395 PolarHBondContact O-N 3.28Å; P392-Y395 PolarHBondContact O-N 2.8Å; Y395-H397 PolarHBondContact O-N 3.31Å; Y395-I398 CarbonylContact O-C 3.58Å; Y395-I398 WeakPolarHBondContact O-CA 3.45Å; Y395-I398 WeakPolarHBondContact O-CB 3.46Å; Y395-I398 PolarHBondContact O-N 2.82Å; Y395-L399 WeakPolarHBondContact O-CG 3.08Å; Y395-L399 PolarHBondContact O-N 3.35Å |
| 396 | D | 88.8 | Confident | 87.4 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56 | -41.1 | -178.4 | -74.8 | -14.8 | 0 | 0 | 0 | 112 | P392 I398 L399 E400 | P392-D396 WeakPolarHBondContact O-CB 3.41Å; P392-D396 PolarHBondContact O-N 2.85Å; D396-I398 VanDerWaalsContact C-N 3.26Å; D396-I398 PolarHBondContact O-N 3.16Å; D396-L399 PolarHBondContact O-N 2.9Å; D396-E400 WeakPolarHBondContact O-CB 3.2Å; D396-E400 PolarHBondContact O-N 3.23Å |
| 397 | H | 86.6 | Confident | 87.4 | Confident | 113 Ų | 113 | 67.3 Ų | 67.3 | 52% | 0.523 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.5 | -29.8 | 176.4 | -61.2 | 91.6 | 0 | 0 | 0 | 113.5 | D393 Y395 A401 | D393-H397 PolarHBondContact O-ND1 3.24Å; Y395-H397 PolarHBondContact O-N 3.31Å; H397-A401 PolarHBondContact O-N 3.33Å |
| 398 | I | 90.6 | Very high | 87.5 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -79.4 | -45.7 | 175.8 | -66 | 176.8 | 0 | 0 | 0 | 109.6 | V352 V355 I381 M385 Y395 D396 E400 A401 I402 | V352-I398 HydrophobicContact CB-CD1 4.23Å; V352-I398 HydrophobicContact CG1-CD1 3.81Å; V352-I398 HydrophobicContact CG2-CD1 4.15Å; V355-I398 HydrophobicContact CB-CD1 3.98Å; V355-I398 HydrophobicContact CB-CG1 4.25Å; V355-I398 HydrophobicContact CG1-CD1 4.2Å; V355-I398 HydrophobicContact CG1-CG1 4.23Å; V355-I398 HydrophobicContact CG1-CG2 3.82Å; V355-I398 HydrophobicContact CG2-CD1 4.25Å; I381-I398 HydrophobicContact CG2-CG2 3.76Å; M385-I398 HydrophobicContact SD-CB 4.45Å; M385-I398 HydrophobicContact SD-CG2 4.08Å; Y395-I398 CarbonylContact O-C 3.58Å; Y395-I398 WeakPolarHBondContact O-CA 3.45Å; Y395-I398 WeakPolarHBondContact O-CB 3.46Å; Y395-I398 PolarHBondContact O-N 2.82Å; D396-I398 VanDerWaalsContact C-N 3.26Å; D396-I398 PolarHBondContact O-N 3.16Å; I398-E400 VanDerWaalsContact C-N 3.28Å; I398-E400 PolarHBondContact O-N 2.78Å; I398-A401 WeakPolarHBondContact O-CA 3.35Å; I398-A401 WeakPolarHBondContact O-CB 3.47Å; I398-A401 PolarHBondContact O-N 3.35Å; I398-I402 HydrophobicContact CG2-CD1 4.22Å; I398-I402 HydrophobicContact CG2-CG2 4.47Å; I398-I402 WeakPolarHBondContact O-CG1 3.3Å; I398-I402 PolarHBondContact O-N 2.89Å |
| 399 | L | 90.7 | Very high | 87.6 | Confident | 74 Ų | 74 | 67 Ų | 67 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.9 | -42.3 | 177.9 | -73.5 | 169.8 | 0 | 0 | 0 | 111.5 | M385 Y395 D396 A401 I402 K403 | M385-L399 HydrophobicContact CE-CD2 3.64Å; M385-L399 HydrophobicContact CE-CG 4.28Å; M385-L399 HydrophobicContact SD-CD2 4.3Å; M385-L399 HydrophobicContact SD-CG 4.32Å; Y395-L399 WeakPolarHBondContact O-CG 3.08Å; Y395-L399 PolarHBondContact O-N 3.35Å; D396-L399 PolarHBondContact O-N 2.9Å; L399-A401 VanDerWaalsContact C-N 3.32Å; L399-A401 PolarHBondContact O-N 3.02Å; L399-I402 PolarHBondContact O-N 3.25Å; L399-K403 PolarHBondContact O-N 3.34Å |
| 400 | E | 90.5 | Very high | 87.7 | Confident | 115 Ų | 115 | 67.9 Ų | 67.9 | 54% | 0.537 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.5 | -35.7 | 174.8 | -174.4 | 57.3 | -153.8 | 0 | 0 | 112.4 | D396 I398 K403 | D396-E400 WeakPolarHBondContact O-CB 3.2Å; D396-E400 PolarHBondContact O-N 3.23Å; I398-E400 VanDerWaalsContact C-N 3.28Å; I398-E400 PolarHBondContact O-N 2.78Å; E400-K403 WeakPolarHBondContact O-CD 3.39Å; E400-K403 WeakPolarHBondContact O-CG 3.13Å; E400-K403 IonicContact OE1-NZ 3.82Å; E400-K403 PolarHBondContact OE1-NZ 2.83Å |
| 401 | A | 89.7 | Confident | 87.9 | Confident | 17 Ų | 17 | 74.1 Ų | 74.1 | 14% | 0.14 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -73.7 | -27.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R356 V359 H397 I398 L399 | R356-A401 HydrophobicContact CG-CB 4.24Å; V359-A401 HydrophobicContact CG1-CB 4.47Å; V359-A401 WeakPolarHBondContact CG1-O 3.49Å; H397-A401 PolarHBondContact O-N 3.33Å; I398-A401 WeakPolarHBondContact O-CA 3.35Å; I398-A401 WeakPolarHBondContact O-CB 3.47Å; I398-A401 PolarHBondContact O-N 3.35Å; L399-A401 VanDerWaalsContact C-N 3.32Å; L399-A401 PolarHBondContact O-N 3.02Å |
| 402 | I | 92.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -106.3 | 7.1 | -177.2 | 71.7 | -179.1 | 0 | 0 | 0 | 113.7 | V359 T378 I381 H382 M385 I398 L399 D404 F405 | V359-I402 HydrophobicContact CG1-CG2 4.09Å; V359-I402 HydrophobicContact CG2-CG2 4.11Å; T378-I402 HydrophobicContact CG2-CB 3.84Å; T378-I402 HydrophobicContact CG2-CG2 3.6Å; I381-I402 HydrophobicContact CG2-CD1 4.4Å; H382-I402 VanDerWaalsContact CE1-CD1 3.45Å; H382-I402 WeakPolarHBondContact CE1-CD1 3.47Å; H382-I402 WeakPolarHBondContact NE2-CD1 3.26Å; M385-I402 HydrophobicContact CE-CD1 3.86Å; I398-I402 HydrophobicContact CG2-CD1 4.22Å; I398-I402 HydrophobicContact CG2-CG2 4.47Å; I398-I402 WeakPolarHBondContact O-CG1 3.3Å; I398-I402 PolarHBondContact O-N 2.89Å; L399-I402 PolarHBondContact O-N 3.25Å; I402-D404 PolarHBondContact O-N 2.72Å; I402-D404 VanDerWaalsContact O-N 3.1Å; I402-F405 HydrophobicContact CB-CD2 4.25Å; I402-F405 WeakPolarHBondContact O-CB 3.43Å; I402-F405 PolarHBondContact O-N 3.01Å |
| 403 | K | 90.3 | Very high | 88.4 | Confident | 121 Ų | 121 | 72.6 Ų | 72.6 | 53% | 0.526 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -29.6 | -173.8 | 69 | -175.5 | 177.6 | -176.1 | 0 | 114.9 | L399 E400 F405 | L399-K403 PolarHBondContact O-N 3.34Å; E400-K403 WeakPolarHBondContact O-CD 3.39Å; E400-K403 WeakPolarHBondContact O-CG 3.13Å; E400-K403 IonicContact OE1-NZ 3.82Å; E400-K403 PolarHBondContact OE1-NZ 2.83Å; K403-F405 VanDerWaalsContact C-N 3.28Å; K403-F405 PolarHBondContact O-N 3.33Å |
| 404 | D | 88 | Confident | 88.3 | Confident | 119 Ų | 119 | 72 Ų | 72 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.4 | -177.8 | -57.7 | -45 | 0 | 0 | 0 | 112.6 | I402 | I402-D404 PolarHBondContact O-N 2.72Å; I402-D404 VanDerWaalsContact O-N 3.1Å |
| 405 | F | 91 | Very high | 88.2 | Confident | 25 Ų | 25 | 73.3 Ų | 73.3 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -98 | 149.4 | -179.7 | -63.3 | -85.9 | 0 | 0 | 0 | 111.8 | V359 N363 L374 L375 T378 I402 K403 K407 | V359-F405 HydrophobicContact CG1-CE2 4.2Å; N363-F405 HydrophobicContact CB-CZ 4.46Å; L374-F405 HydrophobicContact CB-CD1 4.21Å; L374-F405 HydrophobicContact CB-CE1 3.5Å; L374-F405 HydrophobicContact CB-CZ 3.86Å; L374-F405 HydrophobicContact CD1-CE1 4.05Å; L374-F405 HydrophobicContact CD1-CZ 3.64Å; L374-F405 HydrophobicContact CG-CE1 4.39Å; L374-F405 HydrophobicContact CG-CZ 4.29Å; L375-F405 HydrophobicContact CD2-CD1 4.2Å; T378-F405 HydrophobicContact CG2-CB 4Å; T378-F405 HydrophobicContact CG2-CD1 4.37Å; T378-F405 HydrophobicContact CG2-CD2 3.94Å; T378-F405 HydrophobicContact CG2-CG 3.83Å; I402-F405 HydrophobicContact CB-CD2 4.25Å; I402-F405 WeakPolarHBondContact O-CB 3.43Å; I402-F405 PolarHBondContact O-N 3.01Å; K403-F405 VanDerWaalsContact C-N 3.28Å; K403-F405 PolarHBondContact O-N 3.33Å; F405-K407 PolarHBondContact O-N 2.72Å |
| 406 | P | 89 | Confident | 87.7 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 120.6 | -178.5 | 25.7 | -33.1 | 0 | 0 | 0 | 111.5 | L375 | L375-P406 HydrophobicContact CD2-CG 3.51Š|
| 407 | K | 89.4 | Confident | 87.3 | Confident | 164 Ų | 164 | 70.3 Ų | 70.3 | 71% | 0.713 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 125.1 | 172 | -175.7 | 178.8 | 177 | -178.9 | 0 | 110 | F405 | F405-K407 PolarHBondContact O-N 2.72Š|
| 408 | P | 90.4 | Very high | 86.8 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 148.5 | 176.3 | 26 | -32.2 | 0 | 0 | 0 | 111.3 | E379 H382 K412 I413 | E379-P408 HydrophobicContact CG-CB 4.29Å; E379-P408 HydrophobicContact CG-CG 4.18Å; H382-P408 HydrophobicContact CB-CG 3.76Å; P408-K412 HydrophobicContact CB-CD 4.2Å; P408-I413 HydrophobicContact CB-CG1 3.97Å; P408-I413 HydrophobicContact CG-CD1 3.97Å; P408-I413 HydrophobicContact CG-CG1 3.71Å |
| 409 | S | 88.8 | Confident | 85.8 | Confident | 67 Ų | 67 | 76.7 Ų | 76.7 | 47% | 0.469 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 152.3 | 174.1 | 66.1 | 0 | 0 | 0 | 0 | 110.9 | E411 K412 I413 | S409-E411 PolarHBondContact O-N 3.27Å; S409-K412 WeakPolarHBondContact O-CB 3.37Å; S409-K412 PolarHBondContact O-N 3.41Å; S409-K412 WeakPolarHBondContact OG-CB 3.36Å; S409-K412 PolarHBondContact OG-N 3Å; S409-I413 WeakPolarHBondContact O-CG1 3.47Å; S409-I413 PolarHBondContact O-N 2.94Å |
| 410 | E | 86.1 | Confident | 84.4 | Confident | 86 Ų | 86 | 74.4 Ų | 74.4 | 40% | 0.402 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.5 | -37 | 179.3 | -174.4 | 176.3 | 153.6 | 0 | 0 | 112.1 | Y386 I413 K414 | Y386-E410 HydrophobicContact CE2-CG 3.82Å; Y386-E410 PolarHBondContact OH-OE1 3.46Å; Y386-E410 VanDerWaalsContact OH-OE1 3.04Å; E410-I413 PolarHBondContact O-N 2.79Å; E410-K414 HydrophobicContact CG-CD 4.35Å; E410-K414 WeakPolarHBondContact O-CG 3.3Å; E410-K414 PolarHBondContact O-N 2.51Å; E410-K414 WeakPolarHBondContact OE1-CE 3.3Å; E410-K414 IonicContact OE1-NZ 2.74Å; E410-K414 PolarHBondContact OE1-NZ 2.88Å |
| 411 | E | 81.9 | Confident | 82.9 | Confident | 158 Ų | 158 | 70.3 Ų | 70.3 | 74% | 0.738 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 175.2 | -64.8 | 174 | -176.8 | 0 | 0 | 112 | S409 K414 L415 | S409-E411 PolarHBondContact O-N 3.27Å; E411-K414 PolarHBondContact O-N 3.11Å; E411-L415 WeakPolarHBondContact O-CB 3.39Å; E411-L415 PolarHBondContact O-N 3.31Å |
| 412 | K | 84.1 | Confident | 81.4 | Confident | 88 Ų | 88 | 71.1 Ų | 71.1 | 38% | 0.383 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 177.2 | -170.3 | -179.2 | 179.2 | -159.8 | 0 | 111 | E379 P408 S409 L415 V416 | E379-K412 WeakPolarHBondContact OE1-CE 3.3Å; E379-K412 IonicContact OE1-NZ 3.89Å; E379-K412 PolarHBondContact OE1-NZ 3.31Å; E379-K412 IonicContact OE2-NZ 3.73Å; E379-K412 PolarHBondContact OE2-NZ 3.4Å; P408-K412 HydrophobicContact CB-CD 4.2Å; S409-K412 WeakPolarHBondContact O-CB 3.37Å; S409-K412 PolarHBondContact O-N 3.41Å; S409-K412 WeakPolarHBondContact OG-CB 3.36Å; S409-K412 PolarHBondContact OG-N 3Å; K412-L415 PolarHBondContact O-N 2.98Å; K412-V416 VanDerWaalsContact O-CG2 3.27Å; K412-V416 WeakPolarHBondContact O-CG2 3.14Å; K412-V416 PolarHBondContact O-N 3Å |
| 413 | I | 86.1 | Confident | 79.1 | Confident | 6 Ų | 6 | 73.1 Ų | 73.1 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 176.5 | -64.2 | 169.8 | 0 | 0 | 0 | 110.8 | C383 Y386 P408 S409 E410 L415 V416 L417 | C383-I413 HydrophobicContact CB-CG2 4.25Å; Y386-I413 HydrophobicContact CD1-CG2 3.5Å; Y386-I413 VanDerWaalsContact CD1-CG2 3.5Å; Y386-I413 HydrophobicContact CD2-CD1 4.18Å; Y386-I413 HydrophobicContact CE1-CG2 4.23Å; Y386-I413 HydrophobicContact CG-CD1 4.19Å; Y386-I413 HydrophobicContact CG-CG2 3.69Å; P408-I413 HydrophobicContact CB-CG1 3.97Å; P408-I413 HydrophobicContact CG-CD1 3.97Å; P408-I413 HydrophobicContact CG-CG1 3.71Å; S409-I413 WeakPolarHBondContact O-CG1 3.47Å; S409-I413 PolarHBondContact O-N 2.94Å; E410-I413 PolarHBondContact O-N 2.79Å; I413-L415 VanDerWaalsContact C-N 3.3Å; I413-L415 PolarHBondContact O-N 2.83Å; I413-V416 PolarHBondContact O-N 3.18Å; I413-L417 HydrophobicContact CG2-CD1 3.7Å; I413-L417 HydrophobicContact CG2-CG 4.34Å; I413-L417 WeakPolarHBondContact O-CG 3.46Å; I413-L417 PolarHBondContact O-N 3.44Å |
| 414 | K | 81.8 | Confident | 76.4 | Confident | 91 Ų | 91 | 72 Ų | 72 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 177.9 | -74.1 | 175.7 | -177.2 | 168.1 | 0 | 111.7 | Y386 E410 E411 L417 N418 | Y386-K414 WeakPolarHBondContact OH-CE 3.27Å; E410-K414 HydrophobicContact CG-CD 4.35Å; E410-K414 WeakPolarHBondContact O-CG 3.3Å; E410-K414 PolarHBondContact O-N 2.51Å; E410-K414 WeakPolarHBondContact OE1-CE 3.3Å; E410-K414 IonicContact OE1-NZ 2.74Å; E410-K414 PolarHBondContact OE1-NZ 2.88Å; E411-K414 PolarHBondContact O-N 3.11Å; K414-L417 PolarHBondContact O-N 2.98Å; K414-N418 WeakPolarHBondContact O-CB 3.23Å; K414-N418 PolarHBondContact O-N 2.86Å; K414-N418 PolarHBondContact O-ND2 3.11Å |
| 415 | L | 82.4 | Confident | 73.7 | Confident | 95 Ų | 95 | 75.4 Ų | 75.4 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.1 | -48 | 176.2 | -176.7 | 67.8 | 0 | 0 | 0 | 111.6 | E411 K412 I413 N418 Q419 | E411-L415 WeakPolarHBondContact O-CB 3.39Å; E411-L415 PolarHBondContact O-N 3.31Å; K412-L415 PolarHBondContact O-N 2.98Å; I413-L415 VanDerWaalsContact C-N 3.3Å; I413-L415 PolarHBondContact O-N 2.83Å; L415-N418 PolarHBondContact O-N 3.48Å; L415-Q419 VanDerWaalsContact O-CG 3.31Å; L415-Q419 WeakPolarHBondContact O-CG 3.43Å; L415-Q419 PolarHBondContact O-N 3.32Å; L415-Q419 VanDerWaalsContact O-N 3.08Å |
| 416 | V | 82 | Confident | 71 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 18% | 0.176 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | -179.1 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | L339 K412 I413 S420 | L339-V416 HydrophobicContact CD1-CG1 3.93Å; L339-V416 HydrophobicContact CD2-CG1 3.71Å; K412-V416 VanDerWaalsContact O-CG2 3.27Å; K412-V416 WeakPolarHBondContact O-CG2 3.14Å; K412-V416 PolarHBondContact O-N 3Å; I413-V416 PolarHBondContact O-N 3.18Å; V416-S420 WeakPolarHBondContact O-CB 3.31Å; V416-S420 PolarHBondContact O-OG 3.42Å |
| 417 | L | 81.1 | Confident | 68.1 | Low | 6 Ų | 6 | 79.6 Ų | 79.6 | 3% | 0.031 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 176.3 | -69.2 | 168 | 0 | 0 | 0 | 111.9 | L339 Q342 M384 Y386 Q387 I413 K414 S420 | L339-L417 HydrophobicContact CD2-CD2 4.09Å; Q342-L417 PolarHBondContact NE2-O 2.93Å; M384-L417 HydrophobicContact CE-CD2 3.71Å; Y386-L417 HydrophobicContact CD1-CD1 4.1Å; Q387-L417 HydrophobicContact CB-CD1 4.1Å; Q387-L417 HydrophobicContact CB-CD2 3.97Å; Q387-L417 HydrophobicContact CG-CD2 4.28Å; I413-L417 HydrophobicContact CG2-CD1 3.7Å; I413-L417 HydrophobicContact CG2-CG 4.34Å; I413-L417 WeakPolarHBondContact O-CG 3.46Å; I413-L417 PolarHBondContact O-N 3.44Å; K414-L417 PolarHBondContact O-N 2.98Å; L417-S420 PolarHBondContact O-N 3.21Å |
| 418 | N | 77.1 | Confident | 65.3 | Low | 114 Ų | 114 | 75.8 Ų | 75.8 | 61% | 0.61 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -70.3 | -32.8 | -179.4 | -73 | -20.3 | 0 | 0 | 0 | 113.5 | K414 L415 S420 | K414-N418 WeakPolarHBondContact O-CB 3.23Å; K414-N418 PolarHBondContact O-N 2.86Å; K414-N418 PolarHBondContact O-ND2 3.11Å; L415-N418 PolarHBondContact O-N 3.48Å; N418-S420 VanDerWaalsContact C-N 3.25Å; N418-S420 PolarHBondContact O-N 2.67Å |
| 419 | Q | 69.4 | Low | 62.5 | Low | 136 Ų | 136 | 83.5 Ų | 83.5 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -72.2 | -17.8 | 179.7 | -75.1 | 176.2 | -1.8 | 0 | 0 | 113.8 | L415 | L415-Q419 VanDerWaalsContact O-CG 3.31Å; L415-Q419 WeakPolarHBondContact O-CG 3.43Å; L415-Q419 PolarHBondContact O-N 3.32Å; L415-Q419 VanDerWaalsContact O-N 3.08Å |
| 420 | S | 60.5 | Low | 59.8 | Low | 27 Ų | 27 | 85.2 Ų | 85.2 | 19% | 0.189 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -121.6 | -6.4 | -160 | -54.1 | 0 | 0 | 0 | 0 | 115.1 | L339 S340 V416 L417 N418 | L339-S420 VanDerWaalsContact CB-CB 3.44Å; S340-S420 VanDerWaalsContact CA-O 3.23Å; S340-S420 WeakPolarHBondContact CA-O 3.24Å; S340-S420 WeakPolarHBondContact CB-O 3.42Å; S340-S420 PolarHBondContact OG-O 3.17Å; V416-S420 WeakPolarHBondContact O-CB 3.31Å; V416-S420 PolarHBondContact O-OG 3.42Å; L417-S420 PolarHBondContact O-N 3.21Å; N418-S420 VanDerWaalsContact C-N 3.25Å; N418-S420 PolarHBondContact O-N 2.67Å |
| 421 | A | 58.5 | Low | 57.2 | Low | 29 Ų | 29 | 84.4 Ų | 84.4 | 24% | 0.24 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -62.9 | 138.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T423 | A421-T423 PolarHBondContact O-N 3.37Š|
| 422 | W | 58.3 | Low | 54.9 | Low | 33 Ų | 33 | 79.5 Ų | 79.5 | 13% | 0.125 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -57.9 | -5.4 | -179 | -87.6 | -29.7 | 0 | 0 | 0 | 115.2 | A298 F303 L306 I307 H336 S340 F341 | A298-W422 HydrophobicContact CB-CG 4.21Å; F303-W422 HydrophobicContact CD1-CB 4.08Å; F303-W422 HydrophobicContact CD1-CE3 4.5Å; F303-W422 HydrophobicContact CD1-CG 4.47Å; F303-W422 HydrophobicContact CE1-CB 3.85Å; F303-W422 HydrophobicContact CE1-CG 4.47Å; L306-W422 HydrophobicContact CB-CD2 4.42Å; L306-W422 HydrophobicContact CB-CE3 4.08Å; L306-W422 HydrophobicContact CB-CH2 3.46Å; L306-W422 VanDerWaalsContact CB-CH2 3.46Å; L306-W422 HydrophobicContact CB-CZ2 3.77Å; L306-W422 HydrophobicContact CB-CZ3 3.58Å; L306-W422 HydrophobicContact CD1-CD2 3.88Å; L306-W422 HydrophobicContact CD1-CE3 4.21Å; L306-W422 HydrophobicContact CD1-CG 4.37Å; L306-W422 HydrophobicContact CD1-CZ2 4.15Å; L306-W422 HydrophobicContact CD2-CZ2 4.1Å; L306-W422 HydrophobicContact CG-CH2 4.4Å; L306-W422 HydrophobicContact CG-CZ2 4.25Å; I307-W422 HydrophobicContact CG1-CZ3 4.18Å; H336-W422 AromaticContact NE2-NE1 3.94Å; S340-W422 VanDerWaalsContact CB-CD1 3.48Å; S340-W422 PolarHBondContact OG-NE1 2.97Å; F341-W422 HydrophobicContact CD2-CZ3 4.48Å |
| 423 | T | 44.4 | Very low | 52.6 | Low | 44 Ų | 44 | 82.9 Ų | 82.9 | 27% | 0.27 | 48% | 0.475 | S | S | . | . | trans | -157.3 | 86.6 | -178.5 | 45.3 | 0 | 0 | 0 | 0 | 110.8 | F303 A421 Q425 S426 | F303-T423 HydrophobicContact CE1-CG2 3.77Å; F303-T423 HydrophobicContact CE2-CG2 3.91Å; F303-T423 HydrophobicContact CZ-CG2 3.22Å; A421-T423 PolarHBondContact O-N 3.37Å; T423-Q425 PolarHBondContact O-N 3.33Å; T423-S426 VanDerWaalsContact CB-OG 3.25Å; T423-S426 WeakPolarHBondContact CB-OG 3.38Å; T423-S426 WeakPolarHBondContact CG2-OG 3.38Å | ||
| 424 | S | 33.6 | Very low | 50.2 | Low | 97 Ų | 97 | 89.9 Ų | 89.9 | 68% | 0.678 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 6 | 163.8 | -43.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 425 | Q | 32.8 | Very low | 47.9 | Very low | 191 Ų | 191 | 96.1 Ų | 96.1 | 89% | 0.893 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.1 | 10.9 | -179.8 | -69.9 | -167.4 | -13.1 | 0 | 0 | 116.4 | T423 | T423-Q425 PolarHBondContact O-N 3.33Š|
| 426 | S | 33.1 | Very low | 45.9 | Very low | 34 Ų | 34 | 94.9 Ų | 94.9 | 24% | 0.238 | 53% | 0.531 | C | S | . | . | trans | -151 | 72.5 | 175.9 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | T423 S428 | T423-S426 VanDerWaalsContact CB-OG 3.25Å; T423-S426 WeakPolarHBondContact CB-OG 3.38Å; T423-S426 WeakPolarHBondContact CG2-OG 3.38Å; S426-S428 PolarHBondContact O-N 3.37Å; S426-S428 VanDerWaalsContact O-N 3.1Å | ||
| 427 | N | 28.6 | Very low | 44.1 | Very low | 164 Ų | 164 | 96.8 Ų | 96.8 | 88% | 0.877 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 26.6 | 156.1 | -88.7 | -13.5 | 0 | 0 | 0 | 112.9 | ||
| 428 | S | 30.3 | Very low | 42.9 | Very low | 84 Ų | 84 | 99 Ų | 99 | 59% | 0.587 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | -0.6 | -173 | 51.4 | 0 | 0 | 0 | 0 | 115.6 | S426 | S426-S428 PolarHBondContact O-N 3.37Å; S426-S428 VanDerWaalsContact O-N 3.1Å |
| 429 | F | 31.6 | Very low | 42.3 | Very low | 174 Ų | 174 | 96.7 Ų | 96.7 | 76% | 0.763 | 56% | 0.558 | S | S | * | * | trans | -127.9 | 4.8 | -171.7 | -80.1 | -79.5 | 0 | 0 | 0 | 118.1 | S431 | F429-S431 PolarHBondContact O-N 3.04Š| ||
| 430 | A | 32.8 | Very low | 42.4 | Very low | 104 Ų | 104 | 91.8 Ų | 91.8 | 86% | 0.86 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 45.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 431 | S | 31.1 | Very low | 43 | Very low | 68 Ų | 68 | 99.4 Ų | 99.4 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.2 | 11.4 | 171.9 | -81.5 | 0 | 0 | 0 | 0 | 114.4 | F429 I448 N449 | F429-S431 PolarHBondContact O-N 3.04Å; S431-I448 WeakPolarHBondContact OG-CG2 3.48Å; S431-N449 PolarHBondContact OG-O 2.9Å |
| 432 | G | 32.4 | Very low | 44 | Very low | 56 Ų | 56 | 98.9 Ų | 98.9 | 58% | 0.577 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -129.9 | 121 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 433 | L | 36 | Very low | 45 | Very low | 158 Ų | 158 | 99.7 Ų | 99.7 | 83% | 0.827 | 58% | 0.584 | S | S | * | * | trans | 84.8 | 65.4 | 166.3 | -53 | 167 | 0 | 0 | 0 | 116.5 | ||||
| 434 | L | 35.6 | Very low | 47.1 | Very low | 154 Ų | 154 | 99.2 Ų | 99.2 | 81% | 0.806 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -100.4 | 145.4 | 140.9 | -74.6 | 165.4 | 0 | 0 | 0 | 107.7 | ||
| 435 | R | 34.7 | Very low | 49.8 | Very low | 222 Ų | 222 | 94.8 Ų | 94.8 | 84% | 0.838 | 55% | 0.546 | S | S | * | . | trans | -33 | 132.4 | 165.5 | 177.7 | -179.9 | 171.6 | 178.1 | -2 | 110.2 | A437 | R435-A437 VanDerWaalsContact C-N 3.31Å; R435-A437 PolarHBondContact O-N 3.28Å | ||
| 436 | P | 39.6 | Very low | 52.6 | Low | 69 Ų | 69 | 85.7 Ų | 85.7 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | trans | -61.6 | 99.1 | 173.6 | -15.4 | 27.7 | 0 | 0 | 0 | 108 | G438 | P436-G438 PolarHBondContact O-N 3.12Š| ||
| 437 | A | 44 | Very low | 55.5 | Low | 68 Ų | 68 | 84.1 Ų | 84.1 | 56% | 0.562 | 49% | 0.492 | S | S | * | . | trans | -58.4 | 133.3 | 158 | 0 | 0 | 0 | 0 | 0 | 105.6 | R435 | R435-A437 VanDerWaalsContact C-N 3.31Å; R435-A437 PolarHBondContact O-N 3.28Å | ||
| 438 | G | 55.7 | Low | 58.5 | Low | 53 Ų | 53 | 78.5 Ų | 78.5 | 55% | 0.546 | 46% | 0.462 | S | S | . | . | trans | -54.3 | 167.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P436 S440 | P436-G438 PolarHBondContact O-N 3.12Å; G438-S440 PolarHBondContact O-N 3.03Å | ||
| 439 | K | 65.5 | Low | 61.4 | Low | 66 Ų | 66 | 76.3 Ų | 76.3 | 29% | 0.287 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -45.6 | 142.4 | 169.2 | -84.3 | 177.3 | 158 | 171.1 | 0 | 110.5 | T498 | K439-T498 WeakPolarHBondContact CE-O 3.3Å; K439-T498 PolarHBondContact NZ-O 3.21Å |
| 440 | S | 70.9 | Confident | 64 | Low | 32 Ų | 32 | 70.2 Ų | 70.2 | 22% | 0.224 | 42% | 0.419 | C | S | . | . | trans | -48.2 | 144.8 | 172.1 | 168.8 | 0 | 0 | 0 | 0 | 109.8 | G438 T442 G443 V905 | G438-S440 PolarHBondContact O-N 3.03Å; S440-T442 WeakPolarHBondContact CB-OG1 3.5Å; S440-T442 PolarHBondContact O-N 3.44Å; S440-T442 WeakPolarHBondContact OG-CB 3.44Å; S440-T442 WeakPolarHBondContact OG-CG2 3.43Å; S440-T442 PolarHBondContact OG-N 3.03Å; S440-T442 PolarHBondContact OG-OG1 3.05Å; S440-G443 PolarHBondContact O-N 2.91Å; S440-V905 WeakPolarHBondContact CB-O 3.44Å; S440-V905 PolarHBondContact OG-O 3.41Å | ||
| 441 | E | 74 | Confident | 66.2 | Low | 188 Ų | 188 | 66.5 Ų | 66.5 | 88% | 0.879 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -18.7 | 173.1 | -61.8 | -179.9 | 174.9 | 0 | 0 | 112.5 | G443 | E441-G443 VanDerWaalsContact C-N 3.25Å; E441-G443 PolarHBondContact O-N 3.07Å |
| 442 | T | 78.8 | Confident | 69 | Low | 17 Ų | 17 | 66.3 Ų | 66.3 | 10% | 0.104 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -12.7 | 173.3 | 66.2 | 0 | 0 | 0 | 0 | 114.4 | S440 R444 L898 V905 Y907 | S440-T442 WeakPolarHBondContact CB-OG1 3.5Å; S440-T442 PolarHBondContact O-N 3.44Å; S440-T442 WeakPolarHBondContact OG-CB 3.44Å; S440-T442 WeakPolarHBondContact OG-CG2 3.43Å; S440-T442 PolarHBondContact OG-N 3.03Å; S440-T442 PolarHBondContact OG-OG1 3.05Å; T442-R444 PolarHBondContact O-N 2.92Å; T442-R444 PolarHBondContact OG1-N 2.98Å; T442-L898 HydrophobicContact CG2-CD2 3.55Å; T442-V905 HydrophobicContact CG2-CG1 4.4Å; T442-Y907 HydrophobicContact CG2-CD1 4.18Å; T442-Y907 HydrophobicContact CG2-CD2 3.61Å; T442-Y907 HydrophobicContact CG2-CE1 4.21Å; T442-Y907 HydrophobicContact CG2-CE2 3.64Å; T442-Y907 HydrophobicContact CG2-CG 3.89Å |
| 443 | G | 80.3 | Confident | 71.9 | Confident | 50 Ų | 50 | 64 Ų | 64 | 52% | 0.515 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 71.5 | -0.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S440 E441 | S440-G443 PolarHBondContact O-N 2.91Å; E441-G443 VanDerWaalsContact C-N 3.25Å; E441-G443 PolarHBondContact O-N 3.07Å |
| 444 | R | 87 | Confident | 74.7 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 13% | 0.128 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 151 | -178.7 | -63.1 | -66.3 | -170.3 | -154.1 | -9.5 | 112.3 | T442 D854 L898 F900 V905 | T442-R444 PolarHBondContact O-N 2.92Å; T442-R444 PolarHBondContact OG1-N 2.98Å; R444-D854 IonicContact CZ-OD2 2.75Å; R444-D854 IonicContact NH1-OD2 2.67Å; R444-D854 PolarHBondContact NH1-OD2 3.21Å; R444-D854 IonicContact NH2-OD2 2.84Å; R444-D854 PolarHBondContact NH2-OD2 3.16Å; R444-L898 HydrophobicContact CG-CD1 3.82Å; R444-F900 HydrophobicContact CB-CE1 4.44Å; R444-V905 HydrophobicContact CB-CB 4.35Å; R444-V905 HydrophobicContact CB-CG1 3.86Å; R444-V905 HydrophobicContact CB-CG2 4.43Å |
| 445 | T | 90.7 | Very high | 77.5 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -97.2 | 131.2 | 179.3 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | Q461 L495 T498 R500 | T445-Q461 PolarHBondContact O-NE2 2.62Å; T445-L495 HydrophobicContact CG2-CD2 4.06Å; T445-T498 HydrophobicContact CG2-CG2 3.59Å; T445-T498 WeakPolarHBondContact OG1-CG2 3.47Å; T445-R500 PolarHBondContact OG1-O 3.37Å |
| 446 | G | 92.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 172.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A501 A502 Y503 D902 | G446-A501 PolarHBondContact N-O 2.9Å; G446-A502 CarbonylContact O-C 3.58Å; G446-A502 WeakPolarHBondContact O-CA 3.3Å; G446-Y503 PolarHBondContact O-N 2.99Å; G446-D902 CarbonylContact C-O 3.5Å; G446-D902 VanDerWaalsContact CA-O 3.22Å; G446-D902 WeakPolarHBondContact CA-O 3.27Å |
| 447 | L | 94.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.8 | 172.8 | -71.1 | 173.9 | 0 | 0 | 0 | 110.5 | N449 N457 I460 Q461 L491 L495 Y503 P505 D902 S903 | L447-N449 PolarHBondContact O-N 3.24Å; L447-N457 HydrophobicContact CB-CB 4.09Å; L447-N457 HydrophobicContact CD1-CB 4.19Å; L447-N457 PolarHBondContact O-ND2 3.2Å; L447-I460 HydrophobicContact CD1-CB 3.99Å; L447-I460 HydrophobicContact CD1-CG2 3.82Å; L447-Q461 HydrophobicContact CD1-CG 4.08Å; L447-L491 HydrophobicContact CD2-CD1 4.03Å; L447-L495 HydrophobicContact CD2-CD1 4.46Å; L447-L495 HydrophobicContact CD2-CD2 3.77Å; L447-L495 HydrophobicContact CD2-CG 4.41Å; L447-L495 HydrophobicContact CG-CD2 4.17Å; L447-Y503 CarbonylContact C-O 3.51Å; L447-Y503 WeakPolarHBondContact CA-O 3.48Å; L447-P505 HydrophobicContact CD2-CB 4.35Å; L447-P505 HydrophobicContact CD2-CG 4.2Å; L447-D902 PolarHBondContact N-O 3.48Å; L447-D902 CarbonylContact O-C 3.58Å; L447-D902 WeakPolarHBondContact O-CA 3.1Å; L447-D902 WeakPolarHBondContact O-CB 3.29Å; L447-S903 PolarHBondContact O-N 2.87Å; L447-S903 VanDerWaalsContact O-N 3.09Å |
| 448 | I | 91.7 | Very high | 85.7 | Confident | 46 Ų | 46 | 32.9 Ų | 32.9 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | trans | -68.9 | 130 | 177.9 | -62.2 | 173.9 | 0 | 0 | 0 | 108.9 | S431 L450 A502 Y503 A504 | S431-I448 WeakPolarHBondContact OG-CG2 3.48Å; I448-L450 HydrophobicContact CG2-CD2 4.43Å; I448-L450 PolarHBondContact O-N 3.24Å; I448-A502 HydrophobicContact CD1-CB 4.39Å; I448-A502 HydrophobicContact CG1-CB 3.73Å; I448-Y503 PolarHBondContact N-O 3.38Å; I448-A504 HydrophobicContact CB-CB 4.25Å; I448-A504 HydrophobicContact CD1-CB 4.08Å | ||
| 449 | N | 90 | Very high | 87.7 | Confident | 39 Ų | 39 | 30.4 Ų | 30.4 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | trans | -73.4 | 118.5 | 172.5 | -166.2 | -35.7 | 0 | 0 | 0 | 109.5 | S431 L447 G451 N452 T453 D902 | S431-N449 PolarHBondContact OG-O 2.9Å; L447-N449 PolarHBondContact O-N 3.24Å; N449-G451 PolarHBondContact O-N 3.46Å; N449-G451 PolarHBondContact OD1-N 3.22Å; N449-N452 PolarHBondContact OD1-N 3.24Å; N449-T453 PolarHBondContact OD1-N 3.33Å; N449-T453 VanDerWaalsContact OD1-N 3.09Å; N449-T453 PolarHBondContact OD1-OG1 3.17Å; N449-D902 HydrophobicContact CB-CB 4.25Å; N449-D902 WeakPolarHBondContact CB-OD2 3.39Å; N449-D902 PolarHBondContact ND2-OD2 3.22Å | ||
| 450 | L | 85.9 | Confident | 89.3 | Confident | 46 Ų | 46 | 27.2 Ų | 27.2 | 24% | 0.241 | 16% | 0.158 | C | C | . | . | trans | -91.1 | 16.2 | -176 | -61.1 | 172.1 | 0 | 0 | 0 | 112.5 | I448 T453 A504 P505 R506 L509 | I448-L450 HydrophobicContact CG2-CD2 4.43Å; I448-L450 PolarHBondContact O-N 3.24Å; L450-T453 HydrophobicContact CB-CG2 3.95Å; L450-T453 PolarHBondContact N-OG1 2.97Å; L450-A504 HydrophobicContact CD2-CB 4.24Å; L450-P505 HydrophobicContact CD1-CG 4.32Å; L450-R506 HydrophobicContact CD1-CB 4.29Å; L450-R506 HydrophobicContact CD1-CG 3.63Å; L450-R506 HydrophobicContact CD2-CG 3.87Å; L450-R506 HydrophobicContact CG-CG 4.43Å; L450-L509 HydrophobicContact CB-CD2 4.39Å; L450-L509 HydrophobicContact CD1-CD2 3.95Å | ||
| 451 | G | 79.6 | Confident | 90.4 | Very high | 25 Ų | 25 | 25.9 Ų | 25.9 | 26% | 0.258 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 102.7 | 101.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N449 T453 | N449-G451 PolarHBondContact O-N 3.46Å; N449-G451 PolarHBondContact OD1-N 3.22Å; G451-T453 WeakPolarHBondContact O-CG2 3.25Å; G451-T453 PolarHBondContact O-N 2.92Å |
| 452 | N | 89.8 | Confident | 91.5 | Very high | 65 Ų | 65 | 17.3 Ų | 17.3 | 35% | 0.348 | 11% | 0.108 | S | C | . | . | S | Bend | trans | 54 | 31.5 | -176.8 | -68.8 | -35.6 | 0 | 0 | 0 | 114.3 | N449 Y455 G520 Q522 | N449-N452 PolarHBondContact OD1-N 3.24Å; N452-Y455 VanDerWaalsContact O-CD1 3.28Å; N452-Y455 WeakPolarHBondContact O-CD1 3.2Å; N452-Y455 WeakPolarHBondContact O-CE1 3.09Å; N452-G520 PolarHBondContact ND2-O 2.81Å; N452-Q522 HydrophobicContact CB-CG 3.95Å; N452-Q522 PolarHBondContact OD1-NE2 2.81Å |
| 453 | T | 93.2 | Very high | 92.3 | Very high | 6 Ų | 6 | 16.6 Ų | 16.6 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | trans | -101.5 | 13.2 | -179.1 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | N449 L450 G451 Y455 M456 N457 L509 | N449-T453 PolarHBondContact OD1-N 3.33Å; N449-T453 VanDerWaalsContact OD1-N 3.09Å; N449-T453 PolarHBondContact OD1-OG1 3.17Å; L450-T453 HydrophobicContact CB-CG2 3.95Å; L450-T453 PolarHBondContact N-OG1 2.97Å; G451-T453 WeakPolarHBondContact O-CG2 3.25Å; G451-T453 PolarHBondContact O-N 2.92Å; T453-Y455 PolarHBondContact O-N 2.89Å; T453-M456 PolarHBondContact O-N 3.43Å; T453-M456 VanDerWaalsContact O-N 3.09Å; T453-N457 PolarHBondContact O-N 3.36Å; T453-L509 HydrophobicContact CG2-CD1 4.44Å; T453-L509 HydrophobicContact CG2-CD2 3.9Å | ||
| 454 | C | 94.2 | Very high | 93 | Very high | 5 Ų | 5 | 14.3 Ų | 14.3 | 3% | 0.034 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.2 | -28.5 | -178.5 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | M456 N457 S458 H842 Y843 | C454-M456 VanDerWaalsContact C-N 3.34Å; C454-M456 PolarHBondContact O-N 3.37Å; C454-N457 PolarHBondContact O-N 2.76Å; C454-S458 WeakPolarHBondContact O-CB 3.45Å; C454-S458 PolarHBondContact O-N 2.86Å; C454-S458 PolarHBondContact O-OG 3.3Å; C454-H842 WeakPolarHBondContact CB-CE1 3.43Å; C454-H842 WeakPolarHBondContact CB-ND1 3.49Å; C454-H842 PolarHBondContact SG-ND1 3.47Å; C454-Y843 PolarHBondContact SG-N 3.04Å |
| 455 | Y | 96.1 | Very high | 93.3 | Very high | 9 Ų | 9 | 12.9 Ų | 12.9 | 4% | 0.035 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 172.7 | 71.5 | -92.2 | 0 | 0 | 0 | 111.5 | N452 T453 I459 F517 Q523 Y528 | N452-Y455 VanDerWaalsContact O-CD1 3.28Å; N452-Y455 WeakPolarHBondContact O-CD1 3.2Å; N452-Y455 WeakPolarHBondContact O-CE1 3.09Å; T453-Y455 PolarHBondContact O-N 2.89Å; Y455-I459 VanDerWaalsContact O-CG1 3.3Å; Y455-I459 WeakPolarHBondContact O-CG1 3.42Å; Y455-I459 PolarHBondContact O-N 3.48Å; Y455-F517 HydrophobicContact CE2-CD2 4.13Å; Y455-F517 AromaticContact CE2-CE2 3.96Å; Y455-F517 HydrophobicContact CE2-CE2 3.96Å; Y455-Q523 HydrophobicContact CD1-CB 3.84Å; Y455-Q523 HydrophobicContact CD1-CG 4.33Å; Y455-Q523 HydrophobicContact CD2-CB 4.15Å; Y455-Q523 HydrophobicContact CE1-CB 3.78Å; Y455-Q523 HydrophobicContact CE1-CG 3.79Å; Y455-Q523 HydrophobicContact CE2-CB 4.12Å; Y455-Q523 HydrophobicContact CG-CB 4.03Å; Y455-Y528 HydrophobicContact CD2-CD1 4.3Å; Y455-Y528 HydrophobicContact CD2-CD2 4.35Å; Y455-Y528 AromaticContact CD2-CG 3.87Å; Y455-Y528 HydrophobicContact CD2-CG 3.87Å; Y455-Y528 HydrophobicContact CE2-CD1 4.44Å; Y455-Y528 AromaticContact CE2-CD2 3.79Å; Y455-Y528 HydrophobicContact CE2-CD2 3.79Å; Y455-Y528 HydrophobicContact CE2-CE2 4.46Å; Y455-Y528 AromaticContact CE2-CG 3.78Å; Y455-Y528 HydrophobicContact CE2-CG 3.78Å |
| 456 | M | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -71.9 | -46.9 | 177.1 | 174.3 | -173.6 | 73.6 | 0 | 0 | 110.5 | T453 C454 S458 I459 I460 P505 F508 L509 Y528 | T453-M456 PolarHBondContact O-N 3.43Å; T453-M456 VanDerWaalsContact O-N 3.09Å; C454-M456 VanDerWaalsContact C-N 3.34Å; C454-M456 PolarHBondContact O-N 3.37Å; M456-S458 VanDerWaalsContact C-N 3.31Å; M456-S458 PolarHBondContact O-N 3.42Å; M456-I459 PolarHBondContact O-N 3.43Å; M456-I460 HydrophobicContact CG-CG1 4.07Å; M456-I460 WeakPolarHBondContact O-CG1 3.39Å; M456-I460 PolarHBondContact O-N 2.75Å; M456-P505 HydrophobicContact CE-CB 4.17Å; M456-P505 HydrophobicContact CE-CG 3.54Å; M456-F508 HydrophobicContact SD-CD1 4.2Å; M456-F508 HydrophobicContact SD-CE1 4.5Å; M456-L509 HydrophobicContact CE-CB 4.01Å; M456-L509 HydrophobicContact CE-CD1 4.01Å; M456-L509 HydrophobicContact CE-CG 4.44Å; M456-L509 HydrophobicContact SD-CB 3.92Å; M456-L509 HydrophobicContact SD-CD1 3.57Å; M456-L509 VanDerWaalsContact SD-CD1 3.57Å; M456-L509 HydrophobicContact SD-CG 4.33Å; M456-Y528 HydrophobicContact CB-CD1 4.33Å; M456-Y528 HydrophobicContact CB-CE1 3.93Å; M456-Y528 HydrophobicContact CG-CE1 3.66Å; M456-Y528 HydrophobicContact CG-CE2 4.43Å; M456-Y528 WeakPolarHBondContact CG-OH 3.46Å |
| 457 | N | 96.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.016 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.1 | -44.9 | -176.9 | -70.2 | -9.7 | 0 | 0 | 0 | 111.8 | L447 T453 C454 I459 I460 Q461 D902 | L447-N457 HydrophobicContact CB-CB 4.09Å; L447-N457 HydrophobicContact CD1-CB 4.19Å; L447-N457 PolarHBondContact O-ND2 3.2Å; T453-N457 PolarHBondContact O-N 3.36Å; C454-N457 PolarHBondContact O-N 2.76Å; N457-I459 PolarHBondContact O-N 3.47Å; N457-I460 PolarHBondContact O-N 3.29Å; N457-Q461 VanDerWaalsContact O-CG 3.32Å; N457-Q461 WeakPolarHBondContact O-CG 3.45Å; N457-Q461 PolarHBondContact O-N 3.14Å; N457-D902 PolarHBondContact ND2-OD1 3.42Å |
| 458 | S | 97.1 | Very high | 93 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 179.4 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | C454 M456 T462 Y843 Y844 S845 | C454-S458 WeakPolarHBondContact O-CB 3.45Å; C454-S458 PolarHBondContact O-N 2.86Å; C454-S458 PolarHBondContact O-OG 3.3Å; M456-S458 VanDerWaalsContact C-N 3.31Å; M456-S458 PolarHBondContact O-N 3.42Å; S458-T462 VanDerWaalsContact O-CB 3.31Å; S458-T462 WeakPolarHBondContact O-CB 3.45Å; S458-T462 PolarHBondContact O-N 2.88Å; S458-T462 PolarHBondContact O-OG1 2.87Å; S458-Y843 WeakPolarHBondContact OG-CB 3.28Å; S458-Y843 PolarHBondContact OG-O 2.95Å; S458-Y844 WeakPolarHBondContact OG-CA 3.29Å; S458-Y844 PolarHBondContact OG-N 3.18Å; S458-S845 PolarHBondContact O-OG 3.14Å |
| 459 | I | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -68.7 | -42.9 | 176.1 | -68.4 | -58.6 | 0 | 0 | 0 | 111.3 | Y455 M456 N457 T462 L463 C525 Y528 L529 V831 | Y455-I459 VanDerWaalsContact O-CG1 3.3Å; Y455-I459 WeakPolarHBondContact O-CG1 3.42Å; Y455-I459 PolarHBondContact O-N 3.48Å; M456-I459 PolarHBondContact O-N 3.43Å; N457-I459 PolarHBondContact O-N 3.47Å; I459-T462 WeakPolarHBondContact O-CB 3.37Å; I459-T462 PolarHBondContact O-N 3.46Å; I459-L463 HydrophobicContact CG2-CD1 3.98Å; I459-L463 HydrophobicContact CG2-CG 4.38Å; I459-L463 WeakPolarHBondContact O-CG 3.38Å; I459-L463 PolarHBondContact O-N 2.92Å; I459-C525 HydrophobicContact CD1-CB 4.25Å; I459-C525 HydrophobicContact CG1-CB 3.96Å; I459-C525 WeakPolarHBondContact CG1-O 3.28Å; I459-Y528 HydrophobicContact CB-CD1 4.15Å; I459-Y528 HydrophobicContact CB-CE1 4.38Å; I459-Y528 HydrophobicContact CG1-CD1 4.29Å; I459-Y528 HydrophobicContact CG2-CD1 4.12Å; I459-Y528 HydrophobicContact CG2-CE1 4.2Å; I459-L529 HydrophobicContact CD1-CB 3.91Å; I459-L529 HydrophobicContact CD1-CD2 4.11Å; I459-L529 HydrophobicContact CD1-CG 4.44Å; I459-L529 HydrophobicContact CG1-CB 4.28Å; I459-L529 HydrophobicContact CG2-CB 4.12Å; I459-L529 HydrophobicContact CG2-CD1 3.76Å; I459-L529 HydrophobicContact CG2-CG 4.48Å; I459-V831 HydrophobicContact CD1-CG2 4.27Å |
| 460 | I | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 179.8 | -65.8 | -63.1 | 0 | 0 | 0 | 111.6 | L447 M456 N457 T462 L463 F464 L488 L491 F492 L495 F508 L532 | L447-I460 HydrophobicContact CD1-CB 3.99Å; L447-I460 HydrophobicContact CD1-CG2 3.82Å; M456-I460 HydrophobicContact CG-CG1 4.07Å; M456-I460 WeakPolarHBondContact O-CG1 3.39Å; M456-I460 PolarHBondContact O-N 2.75Å; N457-I460 PolarHBondContact O-N 3.29Å; I460-T462 VanDerWaalsContact C-N 3.3Å; I460-T462 PolarHBondContact O-N 3.13Å; I460-L463 PolarHBondContact O-N 3.09Å; I460-F464 WeakPolarHBondContact O-CB 3.26Å; I460-F464 PolarHBondContact O-N 2.9Å; I460-L488 HydrophobicContact CD1-CD1 3.91Å; I460-L491 HydrophobicContact CG1-CD2 4.46Å; I460-L491 HydrophobicContact CG2-CD2 3.67Å; I460-L491 HydrophobicContact CG2-CG 4.28Å; I460-F492 HydrophobicContact CG2-CE1 4.21Å; I460-L495 HydrophobicContact CG2-CD1 4.15Å; I460-F508 HydrophobicContact CD1-CD1 4.17Å; I460-F508 HydrophobicContact CD1-CE1 3.29Å; I460-F508 HydrophobicContact CD1-CZ 3.73Å; I460-F508 HydrophobicContact CG1-CD1 4.48Å; I460-F508 HydrophobicContact CG1-CE1 3.93Å; I460-L532 HydrophobicContact CD1-CD2 4.03Å |
| 461 | Q | 95.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 11.4 Ų | 11.4 | 2% | 0.019 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.9 | -38.4 | 174.4 | -67.6 | -71.3 | 16 | 0 | 0 | 111.4 | T445 L447 N457 F464 M465 F900 | T445-Q461 PolarHBondContact O-NE2 2.62Å; L447-Q461 HydrophobicContact CD1-CG 4.08Å; N457-Q461 VanDerWaalsContact O-CG 3.32Å; N457-Q461 WeakPolarHBondContact O-CG 3.45Å; N457-Q461 PolarHBondContact O-N 3.14Å; Q461-F464 PolarHBondContact O-N 3.05Å; Q461-M465 WeakPolarHBondContact O-CB 3.24Å; Q461-M465 VanDerWaalsContact O-CG 3.28Å; Q461-M465 WeakPolarHBondContact O-CG 3.34Å; Q461-M465 PolarHBondContact O-N 2.58Å; Q461-F900 HydrophobicContact CB-CB 4.04Å; Q461-F900 HydrophobicContact CB-CD1 4.06Å; Q461-F900 HydrophobicContact CB-CD2 4.32Å; Q461-F900 HydrophobicContact CB-CG 3.89Å; Q461-F900 VanDerWaalsContact CD-CD1 3.43Å; Q461-F900 HydrophobicContact CG-CB 3.97Å; Q461-F900 HydrophobicContact CG-CD1 3.86Å; Q461-F900 HydrophobicContact CG-CG 4.02Å |
| 462 | T | 95.8 | Very high | 94 | Very high | 8 Ų | 8 | 12.5 Ų | 12.5 | 5% | 0.049 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.5 | -51.2 | 173.1 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | S458 I459 I460 F464 M465 A466 S829 V831 M929 | S458-T462 VanDerWaalsContact O-CB 3.31Å; S458-T462 WeakPolarHBondContact O-CB 3.45Å; S458-T462 PolarHBondContact O-N 2.88Å; S458-T462 PolarHBondContact O-OG1 2.87Å; I459-T462 WeakPolarHBondContact O-CB 3.37Å; I459-T462 PolarHBondContact O-N 3.46Å; I460-T462 VanDerWaalsContact C-N 3.3Å; I460-T462 PolarHBondContact O-N 3.13Å; T462-F464 VanDerWaalsContact C-N 3.33Å; T462-F464 PolarHBondContact O-N 3.03Å; T462-M465 PolarHBondContact O-N 2.97Å; T462-A466 PolarHBondContact O-N 3.32Å; T462-S829 WeakPolarHBondContact CG2-OG 3.46Å; T462-V831 WeakPolarHBondContact OG1-CG2 3.4Å; T462-M929 HydrophobicContact CG2-CB 4.39Å; T462-M929 HydrophobicContact CG2-CE 3.91Å; T462-M929 HydrophobicContact CG2-SD 3.9Å; T462-M929 WeakPolarHBondContact O-CE 3.16Å |
| 463 | L | 96.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 9.4 Ų | 9.4 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -65.8 | -34.2 | 178.3 | -68 | 173.8 | 0 | 0 | 0 | 112.5 | I459 I460 M465 A466 F469 F492 L529 L532 L533 F597 | I459-L463 HydrophobicContact CG2-CD1 3.98Å; I459-L463 HydrophobicContact CG2-CG 4.38Å; I459-L463 WeakPolarHBondContact O-CG 3.38Å; I459-L463 PolarHBondContact O-N 2.92Å; I460-L463 PolarHBondContact O-N 3.09Å; L463-M465 VanDerWaalsContact C-N 3.34Å; L463-A466 WeakPolarHBondContact O-CB 2.96Å; L463-A466 PolarHBondContact O-N 3.41Å; L463-F469 HydrophobicContact CB-CD1 4.2Å; L463-F469 HydrophobicContact CB-CE1 4.08Å; L463-F469 HydrophobicContact CD2-CD1 4.41Å; L463-F469 HydrophobicContact CD2-CE1 4.28Å; L463-F492 HydrophobicContact CB-CZ 4.03Å; L463-L529 HydrophobicContact CD1-CD1 4.25Å; L463-L529 HydrophobicContact CD2-CD1 4.24Å; L463-L529 HydrophobicContact CG-CD1 4.46Å; L463-L532 HydrophobicContact CD1-CD2 3.9Å; L463-L533 HydrophobicContact CD2-CD2 4.47Å; L463-F597 HydrophobicContact CD2-CE1 4.25Å; L463-F597 HydrophobicContact CD2-CE2 4.4Å; L463-F597 HydrophobicContact CD2-CZ 3.72Å |
| 464 | F | 94.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 9.3 Ų | 9.3 | 1% | 0.013 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -69.4 | -31.3 | 176.2 | 179.9 | -105.4 | 0 | 0 | 0 | 112.6 | I460 Q461 T462 A466 R470 F492 L495 A496 | I460-F464 WeakPolarHBondContact O-CB 3.26Å; I460-F464 PolarHBondContact O-N 2.9Å; Q461-F464 PolarHBondContact O-N 3.05Å; T462-F464 VanDerWaalsContact C-N 3.33Å; T462-F464 PolarHBondContact O-N 3.03Å; F464-A466 VanDerWaalsContact C-N 3.33Å; F464-R470 VanDerWaalsContact CD2-CD 3.42Å; F464-R470 HydrophobicContact CD2-CG 4.01Å; F464-R470 HydrophobicContact CE2-CG 4.06Å; F464-R470 WeakPolarHBondContact O-CD 3.42Å; F464-R470 PolarHBondContact O-NH1 3.43Å; F464-F492 HydrophobicContact CB-CD1 4.17Å; F464-F492 HydrophobicContact CB-CE1 3.78Å; F464-F492 HydrophobicContact CB-CZ 4.2Å; F464-F492 HydrophobicContact CD2-CB 4.08Å; F464-F492 AromaticContact CD2-CD1 3.69Å; F464-F492 HydrophobicContact CD2-CD1 3.69Å; F464-F492 HydrophobicContact CD2-CD2 4.4Å; F464-F492 HydrophobicContact CD2-CE1 4.16Å; F464-F492 AromaticContact CD2-CG 3.81Å; F464-F492 HydrophobicContact CD2-CG 3.81Å; F464-F492 HydrophobicContact CE2-CB 4.29Å; F464-F492 WeakPolarHBondContact CE2-O 3.34Å; F464-F492 HydrophobicContact CG-CD1 4.38Å; F464-F492 HydrophobicContact CG-CE1 4.47Å; F464-L495 HydrophobicContact CB-CD1 4.26Å; F464-L495 HydrophobicContact CD1-CB 4.38Å; F464-L495 HydrophobicContact CD1-CD1 4.33Å; F464-L495 HydrophobicContact CD2-CB 4.04Å; F464-L495 HydrophobicContact CD2-CD1 4.09Å; F464-L495 HydrophobicContact CE1-CB 4.08Å; F464-L495 HydrophobicContact CE2-CB 3.64Å; F464-L495 HydrophobicContact CG-CB 4.4Å; F464-L495 HydrophobicContact CG-CD1 3.98Å; F464-L495 HydrophobicContact CZ-CB 3.7Å; F464-A496 HydrophobicContact CE2-CB 4.35Å; F464-A496 HydrophobicContact CZ-CB 4.21Å |
| 465 | M | 93 | Very high | 93.6 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 2% | 0.015 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -75.8 | -17.6 | 173.2 | -71.2 | -62.8 | 103.2 | 0 | 0 | 113.2 | Q461 T462 L463 T467 L898 F900 | Q461-M465 WeakPolarHBondContact O-CB 3.24Å; Q461-M465 VanDerWaalsContact O-CG 3.28Å; Q461-M465 WeakPolarHBondContact O-CG 3.34Å; Q461-M465 PolarHBondContact O-N 2.58Å; T462-M465 PolarHBondContact O-N 2.97Å; L463-M465 VanDerWaalsContact C-N 3.34Å; M465-T467 PolarHBondContact O-N 3.38Å; M465-L898 HydrophobicContact SD-CD1 4.38Å; M465-F900 HydrophobicContact CE-CZ 3.95Å; M465-F900 HydrophobicContact CG-CE2 3.79Å; M465-F900 HydrophobicContact CG-CZ 3.8Å; M465-F900 HydrophobicContact SD-CE2 4.11Å; M465-F900 HydrophobicContact SD-CZ 3.68Å |
| 466 | A | 92.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | trans | -71.1 | 89.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110 | T462 L463 F464 D468 F469 R470 Y725 M929 | T462-A466 PolarHBondContact O-N 3.32Å; L463-A466 WeakPolarHBondContact O-CB 2.96Å; L463-A466 PolarHBondContact O-N 3.41Å; F464-A466 VanDerWaalsContact C-N 3.33Å; A466-D468 VanDerWaalsContact C-N 3.28Å; A466-D468 PolarHBondContact O-N 2.77Å; A466-F469 HydrophobicContact CB-CB 4Å; A466-F469 PolarHBondContact O-N 2.86Å; A466-F469 VanDerWaalsContact O-N 3.14Å; A466-R470 PolarHBondContact O-N 3.43Å; A466-Y725 HydrophobicContact CB-CD1 4.01Å; A466-Y725 HydrophobicContact CB-CE1 3.54Å; A466-Y725 HydrophobicContact CB-CE2 4.35Å; A466-M929 HydrophobicContact CB-CE 3.75Å; A466-M929 HydrophobicContact CB-SD 4.25Å | ||
| 467 | T | 89.5 | Confident | 92.6 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 4% | 0.043 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.6 | -35 | -168.7 | 51.9 | 0 | 0 | 0 | 0 | 114.6 | M465 R471 Y725 N849 N851 | M465-T467 PolarHBondContact O-N 3.38Å; T467-R471 WeakPolarHBondContact O-CB 3.44Å; T467-R471 VanDerWaalsContact O-CG 3.26Å; T467-R471 WeakPolarHBondContact O-CG 3.43Å; T467-R471 PolarHBondContact O-N 3.19Å; T467-R471 PolarHBondContact O-NE 2.99Å; T467-Y725 PolarHBondContact N-OH 3.47Å; T467-N849 WeakPolarHBondContact CG2-OD1 3.48Å; T467-N851 PolarHBondContact OG1-ND2 2.67Å |
| 468 | D | 90.4 | Very high | 91.8 | Very high | 18 Ų | 18 | 21.9 Ų | 21.9 | 10% | 0.096 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -72.4 | -41.3 | -178.9 | -51.7 | -50.5 | 0 | 0 | 0 | 110.6 | A466 R471 Q472 M596 Y725 R931 | A466-D468 VanDerWaalsContact C-N 3.28Å; A466-D468 PolarHBondContact O-N 2.77Å; D468-R471 IonicContact OD1-CZ 3.81Å; D468-R471 IonicContact OD1-NH2 3.67Å; D468-R471 PolarHBondContact OD1-NH2 3.34Å; D468-Q472 WeakPolarHBondContact O-CB 3.39Å; D468-Q472 WeakPolarHBondContact O-CG 3.32Å; D468-Q472 PolarHBondContact O-N 3.1Å; D468-M596 HydrophobicContact CB-SD 4.12Å; D468-Y725 HydrophobicContact CB-CE2 4.06Å; D468-Y725 PolarHBondContact N-OH 2.87Å; D468-Y725 PolarHBondContact OD2-OH 3.35Å; D468-R931 IonicContact OD1-NH2 2.62Å; D468-R931 PolarHBondContact OD1-NH2 3.37Å; D468-R931 IonicContact OD2-CZ 3.47Å; D468-R931 VanDerWaalsContact OD2-CZ 3.28Å; D468-R931 IonicContact OD2-NE 3.77Å; D468-R931 PolarHBondContact OD2-NE 3.02Å; D468-R931 IonicContact OD2-NH2 2.62Å; D468-R931 PolarHBondContact OD2-NH2 2.94Å |
| 469 | F | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.5 | -48.7 | 173.5 | -179.1 | -114.1 | 0 | 0 | 0 | 111.2 | L463 A466 R471 Q472 V473 L488 F492 L536 L592 I593 M596 F597 | L463-F469 HydrophobicContact CB-CD1 4.2Å; L463-F469 HydrophobicContact CB-CE1 4.08Å; L463-F469 HydrophobicContact CD2-CD1 4.41Å; L463-F469 HydrophobicContact CD2-CE1 4.28Å; A466-F469 HydrophobicContact CB-CB 4Å; A466-F469 PolarHBondContact O-N 2.86Å; A466-F469 VanDerWaalsContact O-N 3.14Å; F469-R471 PolarHBondContact O-N 2.68Å; F469-Q472 PolarHBondContact O-N 2.61Å; F469-V473 HydrophobicContact CD1-CG2 4.34Å; F469-V473 HydrophobicContact CD2-CG2 4.07Å; F469-V473 HydrophobicContact CE1-CG2 3.99Å; F469-V473 HydrophobicContact CE2-CG2 3.7Å; F469-V473 HydrophobicContact CG-CG2 4.38Å; F469-V473 HydrophobicContact CZ-CG2 3.66Å; F469-V473 WeakPolarHBondContact O-CB 3.47Å; F469-V473 VanDerWaalsContact O-CG2 3.29Å; F469-V473 WeakPolarHBondContact O-CG2 3.07Å; F469-V473 PolarHBondContact O-N 2.91Å; F469-L488 HydrophobicContact CE1-CD2 4.19Å; F469-L488 HydrophobicContact CZ-CD2 4.04Å; F469-F492 HydrophobicContact CD1-CE2 4.01Å; F469-F492 HydrophobicContact CD1-CZ 4.3Å; F469-F492 AromaticContact CE1-CE2 3.89Å; F469-F492 HydrophobicContact CE1-CE2 3.89Å; F469-F492 HydrophobicContact CE1-CZ 4.02Å; F469-L536 HydrophobicContact CZ-CD1 4.49Å; F469-L592 HydrophobicContact CD2-CD1 4.5Å; F469-L592 HydrophobicContact CD2-CD2 4.15Å; F469-L592 HydrophobicContact CD2-CG 4.18Å; F469-L592 HydrophobicContact CE2-CD2 3.84Å; F469-L592 HydrophobicContact CE2-CG 4.06Å; F469-I593 HydrophobicContact CE2-CD1 3.84Å; F469-I593 HydrophobicContact CZ-CD1 4.26Å; F469-M596 HydrophobicContact CD2-CG 4.25Å; F469-F597 HydrophobicContact CB-CZ 4.18Å; F469-F597 HydrophobicContact CD1-CE2 4.39Å; F469-F597 HydrophobicContact CD1-CZ 4.21Å; F469-F597 AromaticContact CD2-CE2 3.65Å; F469-F597 HydrophobicContact CD2-CE2 3.65Å; F469-F597 HydrophobicContact CD2-CZ 4.12Å; F469-F597 AromaticContact CE2-CE2 3.87Å; F469-F597 HydrophobicContact CE2-CE2 3.87Å; F469-F597 AromaticContact CG-CE2 3.93Å; F469-F597 HydrophobicContact CG-CE2 3.93Å; F469-F597 AromaticContact CG-CZ 3.9Å; F469-F597 HydrophobicContact CG-CZ 3.9Å; F469-F597 HydrophobicContact CZ-CE2 4.32Å |
| 470 | R | 93.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.6 | -51.5 | 175.7 | -179.3 | 179.3 | 76.2 | -140.6 | 14.7 | 111.8 | F464 A466 Q472 V473 L474 F492 E954 | F464-R470 VanDerWaalsContact CD2-CD 3.42Å; F464-R470 HydrophobicContact CD2-CG 4.01Å; F464-R470 HydrophobicContact CE2-CG 4.06Å; F464-R470 WeakPolarHBondContact O-CD 3.42Å; F464-R470 PolarHBondContact O-NH1 3.43Å; A466-R470 PolarHBondContact O-N 3.43Å; R470-Q472 PolarHBondContact O-N 2.84Å; R470-V473 PolarHBondContact O-N 3.46Å; R470-L474 HydrophobicContact CG-CD1 3.94Å; R470-L474 HydrophobicContact CG-CG 4.41Å; R470-L474 WeakPolarHBondContact O-CG 3.5Å; R470-L474 PolarHBondContact O-N 3.1Å; R470-F492 HydrophobicContact CB-CD2 4.38Å; R470-F492 HydrophobicContact CB-CE2 4.45Å; R470-F492 HydrophobicContact CG-CD2 4.11Å; R470-E954 IonicContact CZ-OE1 3.88Å; R470-E954 IonicContact NE-OE1 3.45Å; R470-E954 PolarHBondContact NE-OE1 2.94Å; R470-E954 IonicContact NH2-OE1 2.93Å; R470-E954 PolarHBondContact NH2-OE1 3.43Å |
| 471 | R | 90.4 | Very high | 88 | Confident | 77 Ų | 77 | 31.6 Ų | 31.6 | 29% | 0.291 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.7 | -44.9 | -179.3 | -75.9 | -174 | -66.8 | 173.7 | -0.9 | 111.8 | T467 D468 F469 L474 S475 | T467-R471 WeakPolarHBondContact O-CB 3.44Å; T467-R471 VanDerWaalsContact O-CG 3.26Å; T467-R471 WeakPolarHBondContact O-CG 3.43Å; T467-R471 PolarHBondContact O-N 3.19Å; T467-R471 PolarHBondContact O-NE 2.99Å; D468-R471 IonicContact OD1-CZ 3.81Å; D468-R471 IonicContact OD1-NH2 3.67Å; D468-R471 PolarHBondContact OD1-NH2 3.34Å; F469-R471 PolarHBondContact O-N 2.68Å; R471-L474 PolarHBondContact O-N 3Å; R471-S475 WeakPolarHBondContact O-CB 3.42Å; R471-S475 PolarHBondContact O-N 2.96Å; R471-S475 PolarHBondContact O-OG 3.33Å |
| 472 | Q | 90.7 | Very high | 87.2 | Confident | 48 Ų | 48 | 37.5 Ų | 37.5 | 22% | 0.224 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 178.5 | -72 | -175.9 | 46.6 | 0 | 0 | 111.3 | D468 F469 R470 L474 S475 L476 L592 M596 | D468-Q472 WeakPolarHBondContact O-CB 3.39Å; D468-Q472 WeakPolarHBondContact O-CG 3.32Å; D468-Q472 PolarHBondContact O-N 3.1Å; F469-Q472 PolarHBondContact O-N 2.61Å; R470-Q472 PolarHBondContact O-N 2.84Å; Q472-L474 PolarHBondContact O-N 2.95Å; Q472-S475 WeakPolarHBondContact CA-OG 3.32Å; Q472-S475 PolarHBondContact O-N 3.35Å; Q472-S475 VanDerWaalsContact O-N 3.11Å; Q472-S475 PolarHBondContact O-OG 3.38Å; Q472-L476 WeakPolarHBondContact O-CG 3.47Å; Q472-L476 PolarHBondContact O-N 3.18Å; Q472-L592 HydrophobicContact CB-CD1 3.6Å; Q472-L592 HydrophobicContact CB-CD2 4.33Å; Q472-L592 HydrophobicContact CG-CD1 4.21Å; Q472-M596 VanDerWaalsContact NE2-CE 3.27Å; Q472-M596 PolarHBondContact NE2-SD 3.34Å; Q472-M596 VanDerWaalsContact NE2-SD 3.43Å |
| 473 | V | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.8 | -44.8 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | F469 R470 S475 L476 M485 L488 Q489 F492 L592 | F469-V473 HydrophobicContact CD1-CG2 4.34Å; F469-V473 HydrophobicContact CD2-CG2 4.07Å; F469-V473 HydrophobicContact CE1-CG2 3.99Å; F469-V473 HydrophobicContact CE2-CG2 3.7Å; F469-V473 HydrophobicContact CG-CG2 4.38Å; F469-V473 HydrophobicContact CZ-CG2 3.66Å; F469-V473 WeakPolarHBondContact O-CB 3.47Å; F469-V473 VanDerWaalsContact O-CG2 3.29Å; F469-V473 WeakPolarHBondContact O-CG2 3.07Å; F469-V473 PolarHBondContact O-N 2.91Å; R470-V473 PolarHBondContact O-N 3.46Å; V473-S475 PolarHBondContact O-N 3.49Å; V473-L476 PolarHBondContact O-N 3.21Å; V473-M485 HydrophobicContact CG2-SD 4.27Å; V473-L488 HydrophobicContact CG1-CG 4.44Å; V473-Q489 HydrophobicContact CG1-CB 3.97Å; V473-Q489 PolarHBondContact O-NE2 3.07Å; V473-F492 HydrophobicContact CB-CD2 4.02Å; V473-F492 HydrophobicContact CB-CE2 4.25Å; V473-F492 HydrophobicContact CG1-CD2 3.79Å; V473-F492 HydrophobicContact CG1-CE2 4.24Å; V473-F492 HydrophobicContact CG2-CE2 4.27Å; V473-L592 HydrophobicContact CG2-CD2 3.82Å |
| 474 | L | 89.8 | Confident | 86.6 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.9 | -26.4 | 178 | -69.9 | 176.2 | 0 | 0 | 0 | 112.9 | R470 R471 Q472 F492 A493 P955 L957 | R470-L474 HydrophobicContact CG-CD1 3.94Å; R470-L474 HydrophobicContact CG-CG 4.41Å; R470-L474 WeakPolarHBondContact O-CG 3.5Å; R470-L474 PolarHBondContact O-N 3.1Å; R471-L474 PolarHBondContact O-N 3Å; Q472-L474 PolarHBondContact O-N 2.95Å; L474-F492 HydrophobicContact CD2-CB 3.95Å; L474-F492 HydrophobicContact CG-CB 4.46Å; L474-A493 HydrophobicContact CD2-CB 4Å; L474-P955 HydrophobicContact CB-CG 4.14Å; L474-L957 HydrophobicContact CD2-CD2 4.05Å |
| 475 | S | 88.1 | Confident | 86.5 | Confident | 57 Ų | 57 | 38.6 Ų | 38.6 | 40% | 0.399 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -82.8 | -11.5 | 178 | 72.3 | 0 | 0 | 0 | 0 | 115.2 | R471 Q472 V473 H477 | R471-S475 WeakPolarHBondContact O-CB 3.42Å; R471-S475 PolarHBondContact O-N 2.96Å; R471-S475 PolarHBondContact O-OG 3.33Å; Q472-S475 WeakPolarHBondContact CA-OG 3.32Å; Q472-S475 PolarHBondContact O-N 3.35Å; Q472-S475 VanDerWaalsContact O-N 3.11Å; Q472-S475 PolarHBondContact O-OG 3.38Å; V473-S475 PolarHBondContact O-N 3.49Å; S475-H477 PolarHBondContact O-N 2.87Å |
| 476 | L | 86.5 | Confident | 86.4 | Confident | 41 Ų | 41 | 39.7 Ų | 39.7 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | trans | -66.8 | 131.7 | -175.7 | -66.1 | 175.3 | 0 | 0 | 0 | 112.8 | Q472 V473 L478 M485 Q489 L592 Q958 | Q472-L476 WeakPolarHBondContact O-CG 3.47Å; Q472-L476 PolarHBondContact O-N 3.18Å; V473-L476 PolarHBondContact O-N 3.21Å; L476-L478 HydrophobicContact CB-CD1 3.93Å; L476-L478 HydrophobicContact CB-CG 3.94Å; L476-L478 HydrophobicContact CD1-CD1 4.09Å; L476-L478 PolarHBondContact O-N 2.76Å; L476-M485 HydrophobicContact CD1-CE 4.37Å; L476-M485 HydrophobicContact CD1-CG 3.53Å; L476-M485 HydrophobicContact CD1-SD 3.75Å; L476-Q489 PolarHBondContact O-NE2 2.63Å; L476-L592 HydrophobicContact CD1-CD2 4.29Å; L476-Q958 VanDerWaalsContact C-NE2 3.33Å; L476-Q958 PolarHBondContact O-NE2 3.32Å | ||
| 477 | H | 83.4 | Confident | 86.4 | Confident | 156 Ų | 156 | 43.4 Ų | 43.4 | 72% | 0.722 | 24% | 0.239 | S | C | * | . | trans | -86 | 92.2 | 174.9 | -68 | -74.2 | 0 | 0 | 0 | 111.5 | S475 Q958 | S475-H477 PolarHBondContact O-N 2.87Å; H477-Q958 PolarHBondContact ND1-NE2 3.11Å | ||
| 478 | L | 80.3 | Confident | 86.6 | Confident | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.141 | 24% | 0.237 | C | C | . | . | trans | -119.8 | 27.2 | -172.9 | -66.7 | 176.3 | 0 | 0 | 0 | 113.4 | L476 G480 S481 M485 K486 | L476-L478 HydrophobicContact CB-CD1 3.93Å; L476-L478 HydrophobicContact CB-CG 3.94Å; L476-L478 HydrophobicContact CD1-CD1 4.09Å; L476-L478 PolarHBondContact O-N 2.76Å; L478-G480 PolarHBondContact O-N 2.99Å; L478-S481 WeakPolarHBondContact O-CB 3.41Å; L478-S481 PolarHBondContact O-N 3.15Å; L478-S481 PolarHBondContact O-OG 2.9Å; L478-M485 HydrophobicContact CD1-CB 3.95Å; L478-M485 HydrophobicContact CD1-CG 3.53Å; L478-K486 HydrophobicContact CB-CB 4.31Å; L478-K486 HydrophobicContact CB-CD 3.78Å; L478-K486 HydrophobicContact CD1-CB 4.37Å | ||
| 479 | N | 72.1 | Confident | 86.8 | Confident | 87 Ų | 87 | 42.2 Ų | 42.2 | 47% | 0.465 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 133.8 | -175.8 | -66.3 | -4.8 | 0 | 0 | 0 | 111.6 | S481 Q958 E960 | N479-S481 PolarHBondContact O-N 2.77Å; N479-S481 VanDerWaalsContact O-N 3.16Å; N479-Q958 PolarHBondContact OD1-OE1 3.02Å; N479-Q958 VanDerWaalsContact OD1-OE1 3.14Å; N479-E960 WeakPolarHBondContact CB-OE1 3.32Å; N479-E960 PolarHBondContact OD1-OE2 3.34Å |
| 480 | G | 65.9 | Low | 86.7 | Confident | 82 Ų | 82 | 43.8 Ų | 43.8 | 85% | 0.845 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 2.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | L478 | L478-G480 PolarHBondContact O-N 2.99Š|
| 481 | S | 75.3 | Confident | 86.8 | Confident | 38 Ų | 38 | 43.8 Ų | 43.8 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | trans | -88.5 | 138.2 | 177.5 | 76.3 | 0 | 0 | 0 | 0 | 111.8 | L478 N479 T483 K486 | L478-S481 WeakPolarHBondContact O-CB 3.41Å; L478-S481 PolarHBondContact O-N 3.15Å; L478-S481 PolarHBondContact O-OG 2.9Å; N479-S481 PolarHBondContact O-N 2.77Å; N479-S481 VanDerWaalsContact O-N 3.16Å; S481-T483 VanDerWaalsContact C-N 3.35Å; S481-T483 PolarHBondContact OG-OG1 2.79Å; S481-K486 WeakPolarHBondContact O-CG 3.3Å | ||
| 482 | N | 79.3 | Confident | 87 | Confident | 127 Ų | 127 | 40.1 Ų | 40.1 | 68% | 0.679 | 23% | 0.228 | S | C | * | . | trans | -101.3 | 49.9 | 174.5 | -168.3 | 30 | 0 | 0 | 0 | 110.9 | R487 | N482-R487 PolarHBondContact OD1-NE 2.64Å; N482-R487 PolarHBondContact OD1-NH2 3.5Å | ||
| 483 | T | 88.4 | Confident | 87.1 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 10% | 0.104 | 22% | 0.217 | C | C | . | . | trans | -91.2 | 157.7 | -175.3 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | S481 M485 K486 R487 E539 | S481-T483 VanDerWaalsContact C-N 3.35Å; S481-T483 PolarHBondContact OG-OG1 2.79Å; T483-M485 PolarHBondContact O-N 3.25Å; T483-K486 PolarHBondContact O-N 3.34Å; T483-K486 VanDerWaalsContact OG1-CB 3.25Å; T483-K486 WeakPolarHBondContact OG1-CB 3.23Å; T483-K486 PolarHBondContact OG1-N 3.19Å; T483-K486 VanDerWaalsContact OG1-N 3.07Å; T483-R487 WeakPolarHBondContact O-CG 3.19Å; T483-R487 PolarHBondContact O-N 2.82Å; T483-E539 WeakPolarHBondContact CA-OE1 3.44Å; T483-E539 WeakPolarHBondContact CB-OE1 3.37Å; T483-E539 HydrophobicContact CG2-CG 4.26Å; T483-E539 WeakPolarHBondContact CG2-OE1 3.48Å | ||
| 484 | V | 91.1 | Very high | 87.1 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 173.1 | -178 | 0 | 0 | 0 | 0 | 109.4 | K486 R487 L488 F508 A511 L532 R535 L536 E539 | V484-K486 PolarHBondContact O-N 3.42Å; V484-R487 PolarHBondContact O-N 2.82Å; V484-R487 VanDerWaalsContact O-N 3.16Å; V484-L488 PolarHBondContact O-N 2.91Å; V484-F508 HydrophobicContact CG1-CE2 4.07Å; V484-A511 WeakPolarHBondContact CG2-O 3.4Å; V484-L532 HydrophobicContact CG1-CD1 4.15Å; V484-R535 HydrophobicContact CG2-CG 4.18Å; V484-L536 HydrophobicContact CB-CD2 4.3Å; V484-L536 HydrophobicContact CG1-CD2 4.07Å; V484-E539 PolarHBondContact N-OE1 3.47Å; V484-E539 VanDerWaalsContact N-OE1 3.15Å; V484-E539 PolarHBondContact N-OE2 2.8Å |
| 485 | M | 92.3 | Very high | 87.2 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.4 | -41.2 | 174 | -169.9 | 66.9 | 78.7 | 0 | 0 | 112.9 | V473 L476 L478 T483 R487 L488 Q489 L536 E539 L592 | V473-M485 HydrophobicContact CG2-SD 4.27Å; L476-M485 HydrophobicContact CD1-CE 4.37Å; L476-M485 HydrophobicContact CD1-CG 3.53Å; L476-M485 HydrophobicContact CD1-SD 3.75Å; L478-M485 HydrophobicContact CD1-CB 3.95Å; L478-M485 HydrophobicContact CD1-CG 3.53Å; T483-M485 PolarHBondContact O-N 3.25Å; M485-R487 PolarHBondContact O-N 2.85Å; M485-L488 PolarHBondContact O-N 3.34Å; M485-L488 HydrophobicContact SD-CD2 4.5Å; M485-Q489 WeakPolarHBondContact O-CB 3.07Å; M485-Q489 PolarHBondContact O-N 2.62Å; M485-L536 HydrophobicContact CB-CD2 4Å; M485-L536 HydrophobicContact CE-CB 3.93Å; M485-L536 HydrophobicContact CE-CD2 3.82Å; M485-L536 HydrophobicContact CE-CG 4.29Å; M485-L536 HydrophobicContact SD-CD2 3.95Å; M485-E539 PolarHBondContact N-OE2 3.5Å; M485-E539 VanDerWaalsContact N-OE2 3.14Å; M485-L592 HydrophobicContact CE-CD2 4.35Å |
| 486 | K | 90.3 | Very high | 87.3 | Confident | 26 Ų | 26 | 37.1 Ų | 37.1 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.6 | -38.8 | 175.6 | -178.1 | 62.9 | 173 | -171.1 | 0 | 112 | L478 S481 T483 V484 Q489 L490 E960 | L478-K486 HydrophobicContact CB-CB 4.31Å; L478-K486 HydrophobicContact CB-CD 3.78Å; L478-K486 HydrophobicContact CD1-CB 4.37Å; S481-K486 WeakPolarHBondContact O-CG 3.3Å; T483-K486 PolarHBondContact O-N 3.34Å; T483-K486 VanDerWaalsContact OG1-CB 3.25Å; T483-K486 WeakPolarHBondContact OG1-CB 3.23Å; T483-K486 PolarHBondContact OG1-N 3.19Å; T483-K486 VanDerWaalsContact OG1-N 3.07Å; V484-K486 PolarHBondContact O-N 3.42Å; K486-Q489 VanDerWaalsContact CD-OE1 3.29Å; K486-Q489 PolarHBondContact O-N 3.17Å; K486-L490 WeakPolarHBondContact O-CB 3.39Å; K486-L490 PolarHBondContact O-N 2.8Å; K486-E960 IonicContact NZ-OE2 2.9Å |
| 487 | R | 92.6 | Very high | 87.4 | Confident | 77 Ų | 77 | 38.1 Ų | 38.1 | 29% | 0.291 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.3 | -38.7 | 176.4 | -60.7 | -65.5 | 179.5 | 171.4 | 2.5 | 111.3 | N482 T483 V484 M485 L490 L491 F508 A511 | N482-R487 PolarHBondContact OD1-NE 2.64Å; N482-R487 PolarHBondContact OD1-NH2 3.5Å; T483-R487 WeakPolarHBondContact O-CG 3.19Å; T483-R487 PolarHBondContact O-N 2.82Å; V484-R487 PolarHBondContact O-N 2.82Å; V484-R487 VanDerWaalsContact O-N 3.16Å; M485-R487 PolarHBondContact O-N 2.85Å; R487-L490 PolarHBondContact O-N 3.24Å; R487-L491 WeakPolarHBondContact O-CB 3.14Å; R487-L491 PolarHBondContact O-N 3.47Å; R487-F508 HydrophobicContact CB-CD2 3.82Å; R487-A511 HydrophobicContact CG-CB 4.05Å |
| 488 | L | 94.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 173 | -174.9 | 61.9 | 0 | 0 | 0 | 111.5 | I460 F469 V473 V484 M485 L490 L491 F492 F508 L536 | I460-L488 HydrophobicContact CD1-CD1 3.91Å; F469-L488 HydrophobicContact CE1-CD2 4.19Å; F469-L488 HydrophobicContact CZ-CD2 4.04Å; V473-L488 HydrophobicContact CG1-CG 4.44Å; V484-L488 PolarHBondContact O-N 2.91Å; M485-L488 PolarHBondContact O-N 3.34Å; M485-L488 HydrophobicContact SD-CD2 4.5Å; L488-L490 VanDerWaalsContact C-N 3.33Å; L488-L490 PolarHBondContact O-N 3.17Å; L488-L491 WeakPolarHBondContact O-CB 3.47Å; L488-L491 PolarHBondContact O-N 2.94Å; L488-L491 VanDerWaalsContact O-N 3.16Å; L488-F492 HydrophobicContact CD1-CD1 4.08Å; L488-F492 HydrophobicContact CD1-CE1 3.62Å; L488-F492 HydrophobicContact CD1-CE2 4.48Å; L488-F492 HydrophobicContact CD1-CZ 3.85Å; L488-F492 HydrophobicContact CD2-CZ 4.48Å; L488-F492 HydrophobicContact CG-CE1 4.31Å; L488-F492 HydrophobicContact CG-CE2 4.35Å; L488-F492 HydrophobicContact CG-CZ 4.2Å; L488-F492 PolarHBondContact O-N 3.26Å; L488-F508 HydrophobicContact CB-CD2 4.31Å; L488-F508 HydrophobicContact CB-CE2 3.69Å; L488-F508 HydrophobicContact CB-CZ 4.41Å; L488-F508 HydrophobicContact CD1-CE2 3.9Å; L488-F508 HydrophobicContact CD1-CZ 3.82Å; L488-F508 HydrophobicContact CG-CE2 4.37Å; L488-L536 HydrophobicContact CD2-CD1 3.78Å; L488-L536 HydrophobicContact CD2-CD2 4.43Å |
| 489 | Q | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57 | -46 | 175.6 | 176.8 | -177.3 | 72.2 | 0 | 0 | 111.7 | V473 L476 M485 K486 L491 F492 A493 L961 | V473-Q489 HydrophobicContact CG1-CB 3.97Å; V473-Q489 PolarHBondContact O-NE2 3.07Å; L476-Q489 PolarHBondContact O-NE2 2.63Å; M485-Q489 WeakPolarHBondContact O-CB 3.07Å; M485-Q489 PolarHBondContact O-N 2.62Å; K486-Q489 VanDerWaalsContact CD-OE1 3.29Å; K486-Q489 PolarHBondContact O-N 3.17Å; Q489-L491 VanDerWaalsContact C-N 3.34Å; Q489-L491 PolarHBondContact O-N 3.3Å; Q489-F492 PolarHBondContact O-N 3.18Å; Q489-A493 WeakPolarHBondContact O-CB 3.48Å; Q489-A493 PolarHBondContact O-N 3.21Å; Q489-L961 HydrophobicContact CG-CD1 3.75Å; Q489-L961 HydrophobicContact CG-CD2 4.26Å |
| 490 | L | 92.3 | Very high | 88.4 | Confident | 34 Ų | 34 | 32 Ų | 32 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.9 | -43 | 176.6 | -176.8 | 65 | 0 | 0 | 0 | 111.5 | K486 R487 L488 A493 F494 L961 A964 | K486-L490 WeakPolarHBondContact O-CB 3.39Å; K486-L490 PolarHBondContact O-N 2.8Å; R487-L490 PolarHBondContact O-N 3.24Å; L488-L490 VanDerWaalsContact C-N 3.33Å; L488-L490 PolarHBondContact O-N 3.17Å; L490-A493 PolarHBondContact O-N 3.09Å; L490-F494 HydrophobicContact CD1-CD2 4.03Å; L490-F494 HydrophobicContact CD1-CE2 3.5Å; L490-F494 VanDerWaalsContact CD1-CE2 3.5Å; L490-F494 HydrophobicContact CD1-CZ 4.22Å; L490-F494 HydrophobicContact CD2-CE2 4.07Å; L490-F494 HydrophobicContact CG-CD2 3.86Å; L490-F494 HydrophobicContact CG-CE2 3.55Å; L490-F494 WeakPolarHBondContact O-CD2 3.44Å; L490-F494 PolarHBondContact O-N 3.23Å; L490-L961 HydrophobicContact CB-CD2 4.45Å; L490-L961 HydrophobicContact CD1-CD2 3.94Å; L490-A964 HydrophobicContact CD1-CB 4.17Å |
| 491 | L | 94.5 | Very high | 89.3 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 177.6 | -179.7 | 57 | 0 | 0 | 0 | 112.1 | L447 I460 R487 L488 Q489 A493 F494 L495 Y503 P505 F508 | L447-L491 HydrophobicContact CD2-CD1 4.03Å; I460-L491 HydrophobicContact CG1-CD2 4.46Å; I460-L491 HydrophobicContact CG2-CD2 3.67Å; I460-L491 HydrophobicContact CG2-CG 4.28Å; R487-L491 WeakPolarHBondContact O-CB 3.14Å; R487-L491 PolarHBondContact O-N 3.47Å; L488-L491 WeakPolarHBondContact O-CB 3.47Å; L488-L491 PolarHBondContact O-N 2.94Å; L488-L491 VanDerWaalsContact O-N 3.16Å; Q489-L491 VanDerWaalsContact C-N 3.34Å; Q489-L491 PolarHBondContact O-N 3.3Å; L491-A493 VanDerWaalsContact C-N 3.34Å; L491-A493 PolarHBondContact O-N 3.34Å; L491-F494 PolarHBondContact O-N 3.37Å; L491-L495 HydrophobicContact CG-CD1 4.46Å; L491-L495 WeakPolarHBondContact O-CG 3.36Å; L491-L495 PolarHBondContact O-N 2.83Å; L491-Y503 HydrophobicContact CD1-CD1 3.5Å; L491-Y503 HydrophobicContact CD1-CE1 3.63Å; L491-P505 HydrophobicContact CD1-CB 3.93Å; L491-P505 HydrophobicContact CD2-CB 4.09Å; L491-F508 HydrophobicContact CD2-CB 3.97Å; L491-F508 HydrophobicContact CD2-CD1 3.65Å; L491-F508 HydrophobicContact CD2-CD2 4.48Å; L491-F508 HydrophobicContact CD2-CE1 4.29Å; L491-F508 HydrophobicContact CD2-CG 3.75Å |
| 492 | F | 94.9 | Very high | 90 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 175.9 | -76.8 | 4 | 0 | 0 | 0 | 112 | I460 L463 F464 F469 R470 V473 L474 L488 Q489 F494 L495 A496 | I460-F492 HydrophobicContact CG2-CE1 4.21Å; L463-F492 HydrophobicContact CB-CZ 4.03Å; F464-F492 HydrophobicContact CB-CD1 4.17Å; F464-F492 HydrophobicContact CB-CE1 3.78Å; F464-F492 HydrophobicContact CB-CZ 4.2Å; F464-F492 HydrophobicContact CD2-CB 4.08Å; F464-F492 AromaticContact CD2-CD1 3.69Å; F464-F492 HydrophobicContact CD2-CD1 3.69Å; F464-F492 HydrophobicContact CD2-CD2 4.4Å; F464-F492 HydrophobicContact CD2-CE1 4.16Å; F464-F492 AromaticContact CD2-CG 3.81Å; F464-F492 HydrophobicContact CD2-CG 3.81Å; F464-F492 HydrophobicContact CE2-CB 4.29Å; F464-F492 WeakPolarHBondContact CE2-O 3.34Å; F464-F492 HydrophobicContact CG-CD1 4.38Å; F464-F492 HydrophobicContact CG-CE1 4.47Å; F469-F492 HydrophobicContact CD1-CE2 4.01Å; F469-F492 HydrophobicContact CD1-CZ 4.3Å; F469-F492 AromaticContact CE1-CE2 3.89Å; F469-F492 HydrophobicContact CE1-CE2 3.89Å; F469-F492 HydrophobicContact CE1-CZ 4.02Å; R470-F492 HydrophobicContact CB-CD2 4.38Å; R470-F492 HydrophobicContact CB-CE2 4.45Å; R470-F492 HydrophobicContact CG-CD2 4.11Å; V473-F492 HydrophobicContact CB-CD2 4.02Å; V473-F492 HydrophobicContact CB-CE2 4.25Å; V473-F492 HydrophobicContact CG1-CD2 3.79Å; V473-F492 HydrophobicContact CG1-CE2 4.24Å; V473-F492 HydrophobicContact CG2-CE2 4.27Å; L474-F492 HydrophobicContact CD2-CB 3.95Å; L474-F492 HydrophobicContact CG-CB 4.46Å; L488-F492 HydrophobicContact CD1-CD1 4.08Å; L488-F492 HydrophobicContact CD1-CE1 3.62Å; L488-F492 HydrophobicContact CD1-CE2 4.48Å; L488-F492 HydrophobicContact CD1-CZ 3.85Å; L488-F492 HydrophobicContact CD2-CZ 4.48Å; L488-F492 HydrophobicContact CG-CE1 4.31Å; L488-F492 HydrophobicContact CG-CE2 4.35Å; L488-F492 HydrophobicContact CG-CZ 4.2Å; L488-F492 PolarHBondContact O-N 3.26Å; Q489-F492 PolarHBondContact O-N 3.18Å; F492-F494 VanDerWaalsContact C-N 3.33Å; F492-F494 PolarHBondContact O-N 3.3Å; F492-L495 HydrophobicContact CD1-CD1 4.48Å; F492-L495 PolarHBondContact O-N 3.21Å; F492-A496 WeakPolarHBondContact O-CB 3.33Å; F492-A496 PolarHBondContact O-N 3.05Å |
| 493 | A | 92 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L474 Q489 L490 L491 A496 H497 L957 L961 I965 | L474-A493 HydrophobicContact CD2-CB 4Å; Q489-A493 WeakPolarHBondContact O-CB 3.48Å; Q489-A493 PolarHBondContact O-N 3.21Å; L490-A493 PolarHBondContact O-N 3.09Å; L491-A493 VanDerWaalsContact C-N 3.34Å; L491-A493 PolarHBondContact O-N 3.34Å; A493-A496 PolarHBondContact O-N 3.41Å; A493-H497 PolarHBondContact O-CD2 3.3Å; A493-H497 PolarHBondContact O-N 3.38Å; A493-L957 HydrophobicContact CB-CD2 4.22Å; A493-L961 HydrophobicContact CB-CB 4.47Å; A493-I965 HydrophobicContact CB-CD1 3.88Å |
| 494 | F | 92.4 | Very high | 90.8 | Very high | 12 Ų | 12 | 24 Ų | 24 | 5% | 0.053 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.9 | -45.8 | 172.7 | -80.1 | -60.3 | 0 | 0 | 0 | 112.6 | L490 L491 F492 A496 H497 T498 Y503 A964 I965 D968 | L490-F494 HydrophobicContact CD1-CD2 4.03Å; L490-F494 HydrophobicContact CD1-CE2 3.5Å; L490-F494 VanDerWaalsContact CD1-CE2 3.5Å; L490-F494 HydrophobicContact CD1-CZ 4.22Å; L490-F494 HydrophobicContact CD2-CE2 4.07Å; L490-F494 HydrophobicContact CG-CD2 3.86Å; L490-F494 HydrophobicContact CG-CE2 3.55Å; L490-F494 WeakPolarHBondContact O-CD2 3.44Å; L490-F494 PolarHBondContact O-N 3.23Å; L491-F494 PolarHBondContact O-N 3.37Å; F492-F494 VanDerWaalsContact C-N 3.33Å; F492-F494 PolarHBondContact O-N 3.3Å; F494-A496 PolarHBondContact O-N 3.37Å; F494-H497 PolarHBondContact O-N 2.96Å; F494-T498 VanDerWaalsContact O-CB 3.23Å; F494-T498 WeakPolarHBondContact O-CB 3.16Å; F494-T498 WeakPolarHBondContact O-CG2 3.17Å; F494-T498 PolarHBondContact O-N 3.47Å; F494-Y503 HydrophobicContact CB-CD1 4.33Å; F494-Y503 HydrophobicContact CB-CD2 3.85Å; F494-Y503 HydrophobicContact CB-CE1 4.32Å; F494-Y503 HydrophobicContact CB-CE2 3.83Å; F494-Y503 HydrophobicContact CB-CG 4.1Å; F494-Y503 HydrophobicContact CD1-CD2 4.17Å; F494-Y503 AromaticContact CD1-CE2 3.72Å; F494-Y503 HydrophobicContact CD1-CE2 3.72Å; F494-Y503 HydrophobicContact CD2-CD2 4.41Å; F494-Y503 HydrophobicContact CD2-CE1 4.1Å; F494-Y503 AromaticContact CD2-CE2 3.53Å; F494-Y503 HydrophobicContact CD2-CE2 3.53Å; F494-Y503 AromaticContact CD2-CZ 3.34Å; F494-Y503 WeakPolarHBondContact CD2-OH 3.33Å; F494-Y503 HydrophobicContact CE1-CE2 4.15Å; F494-Y503 AromaticContact CE2-CE2 3.95Å; F494-Y503 HydrophobicContact CE2-CE2 3.95Å; F494-Y503 AromaticContact CE2-CZ 3.8Å; F494-Y503 WeakPolarHBondContact CE2-OH 3.3Å; F494-Y503 AromaticContact CG-CD2 3.9Å; F494-Y503 HydrophobicContact CG-CD2 3.9Å; F494-Y503 HydrophobicContact CG-CE1 4.39Å; F494-Y503 AromaticContact CG-CE2 3.4Å; F494-Y503 HydrophobicContact CG-CE2 3.4Å; F494-Y503 VanDerWaalsContact CG-CE2 3.4Å; F494-Y503 AromaticContact CG-CZ 3.69Å; F494-Y503 HydrophobicContact CZ-CE2 4.26Å; F494-A964 HydrophobicContact CZ-CB 4.36Å; F494-I965 HydrophobicContact CD1-CG1 4.25Å; F494-I965 HydrophobicContact CE1-CG1 4.26Å; F494-D968 HydrophobicContact CD1-CB 4.39Å; F494-D968 HydrophobicContact CE1-CB 3.53Å; F494-D968 HydrophobicContact CZ-CB 4.31Å |
| 495 | L | 91.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.3 | -30.1 | 177.6 | -74.6 | 176.9 | 0 | 0 | 0 | 113.2 | T445 L447 I460 F464 L491 F492 | T445-L495 HydrophobicContact CG2-CD2 4.06Å; L447-L495 HydrophobicContact CD2-CD1 4.46Å; L447-L495 HydrophobicContact CD2-CD2 3.77Å; L447-L495 HydrophobicContact CD2-CG 4.41Å; L447-L495 HydrophobicContact CG-CD2 4.17Å; I460-L495 HydrophobicContact CG2-CD1 4.15Å; F464-L495 HydrophobicContact CB-CD1 4.26Å; F464-L495 HydrophobicContact CD1-CB 4.38Å; F464-L495 HydrophobicContact CD1-CD1 4.33Å; F464-L495 HydrophobicContact CD2-CB 4.04Å; F464-L495 HydrophobicContact CD2-CD1 4.09Å; F464-L495 HydrophobicContact CE1-CB 4.08Å; F464-L495 HydrophobicContact CE2-CB 3.64Å; F464-L495 HydrophobicContact CG-CB 4.4Å; F464-L495 HydrophobicContact CG-CD1 3.98Å; F464-L495 HydrophobicContact CZ-CB 3.7Å; L491-L495 HydrophobicContact CG-CD1 4.46Å; L491-L495 WeakPolarHBondContact O-CG 3.36Å; L491-L495 PolarHBondContact O-N 2.83Å; F492-L495 HydrophobicContact CD1-CD1 4.48Å; F492-L495 PolarHBondContact O-N 3.21Å |
| 496 | A | 89.8 | Confident | 90.7 | Very high | 27 Ų | 27 | 30.4 Ų | 30.4 | 22% | 0.223 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -79.6 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F464 F492 A493 F494 | F464-A496 HydrophobicContact CE2-CB 4.35Å; F464-A496 HydrophobicContact CZ-CB 4.21Å; F492-A496 WeakPolarHBondContact O-CB 3.33Å; F492-A496 PolarHBondContact O-N 3.05Å; A493-A496 PolarHBondContact O-N 3.41Å; F494-A496 PolarHBondContact O-N 3.37Å |
| 497 | H | 88.4 | Confident | 90.6 | Very high | 63 Ų | 63 | 32.9 Ų | 32.9 | 29% | 0.292 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -130.9 | -5.6 | -164.7 | -55 | -69.7 | 0 | 0 | 0 | 117 | A493 F494 E954 L957 I965 N969 | A493-H497 PolarHBondContact O-CD2 3.3Å; A493-H497 PolarHBondContact O-N 3.38Å; F494-H497 PolarHBondContact O-N 2.96Å; H497-E954 IonicContact CE1-OE2 3.29Å; H497-E954 IonicContact NE2-OE2 3.75Å; H497-L957 WeakPolarHBondContact CD2-CD1 3.49Å; H497-L957 WeakPolarHBondContact NE2-CD1 3.5Å; H497-I965 HydrophobicContact CB-CD1 3.94Å; H497-I965 HydrophobicContact CB-CG1 4.48Å; H497-I965 HydrophobicContact CB-CG2 3.81Å; H497-N969 PolarHBondContact O-ND2 3.26Å |
| 498 | T | 87.9 | Confident | 90.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -63.3 | 145.6 | 174.4 | -171.6 | 0 | 0 | 0 | 0 | 110.1 | K439 T445 F494 R500 D968 N969 | K439-T498 WeakPolarHBondContact CE-O 3.3Å; K439-T498 PolarHBondContact NZ-O 3.21Å; T445-T498 HydrophobicContact CG2-CG2 3.59Å; T445-T498 WeakPolarHBondContact OG1-CG2 3.47Å; F494-T498 VanDerWaalsContact O-CB 3.23Å; F494-T498 WeakPolarHBondContact O-CB 3.16Å; F494-T498 WeakPolarHBondContact O-CG2 3.17Å; F494-T498 PolarHBondContact O-N 3.47Å; T498-R500 VanDerWaalsContact C-N 3.32Å; T498-R500 HydrophobicContact CG2-CB 4.26Å; T498-R500 PolarHBondContact OG1-N 3.37Å; T498-D968 PolarHBondContact OG1-OD2 3.16Å; T498-N969 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 499 | Q | 84.7 | Confident | 90.5 | Very high | 91 Ų | 91 | 30.9 Ų | 30.9 | 43% | 0.425 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -85.2 | -6.8 | 173 | -62.9 | -55.4 | -22.8 | 0 | 0 | 113.2 | N969 Y972 | Q499-N969 HydrophobicContact CG-CB 4.33Å; Q499-N969 PolarHBondContact N-OD1 3.15Å; Q499-Y972 HydrophobicContact CB-CD1 3.8Å; Q499-Y972 HydrophobicContact CB-CE1 4.02Å; Q499-Y972 VanDerWaalsContact O-CE1 3.32Å; Q499-Y972 WeakPolarHBondContact O-CE1 3.47Å |
| 500 | R | 85.1 | Confident | 90.4 | Very high | 49 Ų | 49 | 38 Ų | 38 | 19% | 0.185 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -71.2 | 147.8 | 176.4 | -67.7 | 175 | 168.5 | 155.7 | 2 | 111.7 | T445 T498 A502 D968 Y972 E975 | T445-R500 PolarHBondContact OG1-O 3.37Å; T498-R500 VanDerWaalsContact C-N 3.32Å; T498-R500 HydrophobicContact CG2-CB 4.26Å; T498-R500 PolarHBondContact OG1-N 3.37Å; R500-A502 VanDerWaalsContact C-N 3.32Å; R500-D968 IonicContact CZ-OD1 3.12Å; R500-D968 VanDerWaalsContact CZ-OD1 3.26Å; R500-D968 IonicContact CZ-OD2 3.26Å; R500-D968 IonicContact NH1-OD1 2.67Å; R500-D968 PolarHBondContact NH1-OD1 2.91Å; R500-D968 IonicContact NH1-OD2 2.61Å; R500-D968 IonicContact NH2-OD1 2.8Å; R500-Y972 HydrophobicContact CG-CD1 4.3Å; R500-Y972 HydrophobicContact CG-CD2 3.52Å; R500-Y972 HydrophobicContact CG-CE2 3.88Å; R500-Y972 HydrophobicContact CG-CG 3.72Å; R500-E975 IonicContact NH2-OE1 3.15Å; R500-E975 PolarHBondContact NH2-OE1 3.14Å; R500-E975 IonicContact NH2-OE2 2.69Å; R500-E975 PolarHBondContact NH2-OE2 3.39Å |
| 501 | A | 84.8 | Confident | 90.3 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -66.3 | -34.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G446 | G446-A501 PolarHBondContact N-O 2.9Š|
| 502 | A | 89.8 | Confident | 90.3 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 13% | 0.132 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G446 I448 R500 | G446-A502 CarbonylContact O-C 3.58Å; G446-A502 WeakPolarHBondContact O-CA 3.3Å; I448-A502 HydrophobicContact CD1-CB 4.39Å; I448-A502 HydrophobicContact CG1-CB 3.73Å; R500-A502 VanDerWaalsContact C-N 3.32Å |
| 503 | Y | 91.6 | Very high | 90.2 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.2 | 178.8 | -175.4 | -97.1 | 0 | 0 | 0 | 111.1 | G446 L447 I448 L491 F494 P505 | G446-Y503 PolarHBondContact O-N 2.99Å; L447-Y503 CarbonylContact C-O 3.51Å; L447-Y503 WeakPolarHBondContact CA-O 3.48Å; I448-Y503 PolarHBondContact N-O 3.38Å; L491-Y503 HydrophobicContact CD1-CD1 3.5Å; L491-Y503 HydrophobicContact CD1-CE1 3.63Å; F494-Y503 HydrophobicContact CB-CD1 4.33Å; F494-Y503 HydrophobicContact CB-CD2 3.85Å; F494-Y503 HydrophobicContact CB-CE1 4.32Å; F494-Y503 HydrophobicContact CB-CE2 3.83Å; F494-Y503 HydrophobicContact CB-CG 4.1Å; F494-Y503 HydrophobicContact CD1-CD2 4.17Å; F494-Y503 AromaticContact CD1-CE2 3.72Å; F494-Y503 HydrophobicContact CD1-CE2 3.72Å; F494-Y503 HydrophobicContact CD2-CD2 4.41Å; F494-Y503 HydrophobicContact CD2-CE1 4.1Å; F494-Y503 AromaticContact CD2-CE2 3.53Å; F494-Y503 HydrophobicContact CD2-CE2 3.53Å; F494-Y503 AromaticContact CD2-CZ 3.34Å; F494-Y503 WeakPolarHBondContact CD2-OH 3.33Å; F494-Y503 HydrophobicContact CE1-CE2 4.15Å; F494-Y503 AromaticContact CE2-CE2 3.95Å; F494-Y503 HydrophobicContact CE2-CE2 3.95Å; F494-Y503 AromaticContact CE2-CZ 3.8Å; F494-Y503 WeakPolarHBondContact CE2-OH 3.3Å; F494-Y503 AromaticContact CG-CD2 3.9Å; F494-Y503 HydrophobicContact CG-CD2 3.9Å; F494-Y503 HydrophobicContact CG-CE1 4.39Å; F494-Y503 AromaticContact CG-CE2 3.4Å; F494-Y503 HydrophobicContact CG-CE2 3.4Å; F494-Y503 VanDerWaalsContact CG-CE2 3.4Å; F494-Y503 AromaticContact CG-CZ 3.69Å; F494-Y503 HydrophobicContact CZ-CE2 4.26Å; Y503-P505 WeakPolarHBondContact O-CD 3.31Å |
| 504 | A | 91.8 | Very high | 90.3 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 25% | 0.248 | 21% | 0.211 | C | C | . | . | trans | -96 | 107.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I448 L450 R506 | I448-A504 HydrophobicContact CB-CB 4.25Å; I448-A504 HydrophobicContact CD1-CB 4.08Å; L450-A504 HydrophobicContact CD2-CB 4.24Å; A504-R506 HydrophobicContact CB-CG 4.45Å; A504-R506 PolarHBondContact O-N 3.05Å | ||
| 505 | P | 91.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | trans | -80.3 | 41.6 | -173.7 | 34.7 | -37.8 | 0 | 0 | 0 | 113.9 | L447 L450 M456 L491 Y503 N507 F508 L509 | L447-P505 HydrophobicContact CD2-CB 4.35Å; L447-P505 HydrophobicContact CD2-CG 4.2Å; L450-P505 HydrophobicContact CD1-CG 4.32Å; M456-P505 HydrophobicContact CE-CB 4.17Å; M456-P505 HydrophobicContact CE-CG 3.54Å; L491-P505 HydrophobicContact CD1-CB 3.93Å; L491-P505 HydrophobicContact CD2-CB 4.09Å; Y503-P505 WeakPolarHBondContact O-CD 3.31Å; P505-N507 PolarHBondContact O-N 3.23Å; P505-F508 PolarHBondContact O-N 3.35Å; P505-L509 WeakPolarHBondContact O-CB 3.32Å; P505-L509 PolarHBondContact O-N 2.99Å | ||
| 506 | R | 90.4 | Very high | 90.3 | Very high | 150 Ų | 150 | 53 Ų | 53 | 57% | 0.566 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -57.3 | -52.2 | -174.6 | -67 | 177.9 | -177.4 | -107.3 | 0.2 | 112.6 | L450 A504 F508 L509 E510 | L450-R506 HydrophobicContact CD1-CB 4.29Å; L450-R506 HydrophobicContact CD1-CG 3.63Å; L450-R506 HydrophobicContact CD2-CG 3.87Å; L450-R506 HydrophobicContact CG-CG 4.43Å; A504-R506 HydrophobicContact CB-CG 4.45Å; A504-R506 PolarHBondContact O-N 3.05Å; R506-F508 PolarHBondContact O-N 3.26Å; R506-L509 PolarHBondContact O-N 2.88Å; R506-E510 WeakPolarHBondContact O-CG 3.42Å; R506-E510 PolarHBondContact O-N 3.35Å |
| 507 | N | 88.6 | Confident | 90.4 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.1 | -31.9 | -179.2 | -63.2 | -18.1 | 0 | 0 | 0 | 112.8 | P505 | P505-N507 PolarHBondContact O-N 3.23Å |
| 508 | F | 93.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -82.1 | -39.2 | -179.8 | -179.1 | -101.5 | 0 | 0 | 0 | 111.4 | M456 I460 V484 R487 L488 L491 P505 R506 E510 A511 S512 Y528 L532 | M456-F508 HydrophobicContact SD-CD1 4.2Å; M456-F508 HydrophobicContact SD-CE1 4.5Å; I460-F508 HydrophobicContact CD1-CD1 4.17Å; I460-F508 HydrophobicContact CD1-CE1 3.29Å; I460-F508 HydrophobicContact CD1-CZ 3.73Å; I460-F508 HydrophobicContact CG1-CD1 4.48Å; I460-F508 HydrophobicContact CG1-CE1 3.93Å; V484-F508 HydrophobicContact CG1-CE2 4.07Å; R487-F508 HydrophobicContact CB-CD2 3.82Å; L488-F508 HydrophobicContact CB-CD2 4.31Å; L488-F508 HydrophobicContact CB-CE2 3.69Å; L488-F508 HydrophobicContact CB-CZ 4.41Å; L488-F508 HydrophobicContact CD1-CE2 3.9Å; L488-F508 HydrophobicContact CD1-CZ 3.82Å; L488-F508 HydrophobicContact CG-CE2 4.37Å; L491-F508 HydrophobicContact CD2-CB 3.97Å; L491-F508 HydrophobicContact CD2-CD1 3.65Å; L491-F508 HydrophobicContact CD2-CD2 4.48Å; L491-F508 HydrophobicContact CD2-CE1 4.29Å; L491-F508 HydrophobicContact CD2-CG 3.75Å; P505-F508 PolarHBondContact O-N 3.35Å; R506-F508 PolarHBondContact O-N 3.26Å; F508-E510 VanDerWaalsContact C-N 3.34Å; F508-E510 PolarHBondContact O-N 2.86Å; F508-A511 PolarHBondContact O-N 2.82Å; F508-S512 WeakPolarHBondContact CE1-OG 3.28Å; F508-S512 VanDerWaalsContact O-CB 3.29Å; F508-S512 WeakPolarHBondContact O-CB 3.43Å; F508-S512 PolarHBondContact O-N 2.86Å; F508-S512 PolarHBondContact O-OG 3.19Å; F508-Y528 WeakPolarHBondContact CE1-OH 3.4Å; F508-L532 HydrophobicContact CZ-CD1 3.85Å; F508-L532 HydrophobicContact CZ-CD2 4.16Å |
| 509 | L | 92.1 | Very high | 89.9 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 173.4 | 177.4 | 64 | 0 | 0 | 0 | 111.2 | L450 T453 M456 P505 R506 A511 S512 R513 | L450-L509 HydrophobicContact CB-CD2 4.39Å; L450-L509 HydrophobicContact CD1-CD2 3.95Å; T453-L509 HydrophobicContact CG2-CD1 4.44Å; T453-L509 HydrophobicContact CG2-CD2 3.9Å; M456-L509 HydrophobicContact CE-CB 4.01Å; M456-L509 HydrophobicContact CE-CD1 4.01Å; M456-L509 HydrophobicContact CE-CG 4.44Å; M456-L509 HydrophobicContact SD-CB 3.92Å; M456-L509 HydrophobicContact SD-CD1 3.57Å; M456-L509 VanDerWaalsContact SD-CD1 3.57Å; M456-L509 HydrophobicContact SD-CG 4.33Å; P505-L509 WeakPolarHBondContact O-CB 3.32Å; P505-L509 PolarHBondContact O-N 2.99Å; R506-L509 PolarHBondContact O-N 2.88Å; L509-A511 VanDerWaalsContact C-N 3.27Å; L509-A511 PolarHBondContact O-N 3.3Å; L509-S512 PolarHBondContact O-N 2.99Å; L509-R513 VanDerWaalsContact O-CB 3.23Å; L509-R513 WeakPolarHBondContact O-CB 3.41Å; L509-R513 PolarHBondContact O-N 3.33Å; L509-R513 VanDerWaalsContact O-N 3.1Å |
| 510 | E | 90.1 | Very high | 89.6 | Confident | 149 Ų | 149 | 59.8 Ų | 59.8 | 70% | 0.696 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.7 | -36.4 | 179.2 | -72.7 | 173.6 | -168.8 | 0 | 0 | 112.7 | R506 F508 | R506-E510 WeakPolarHBondContact O-CG 3.42Å; R506-E510 PolarHBondContact O-N 3.35Å; F508-E510 VanDerWaalsContact C-N 3.34Å; F508-E510 PolarHBondContact O-N 2.86Å |
| 511 | A | 91.1 | Very high | 89.5 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 36% | 0.355 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -84.3 | -30.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V484 R487 F508 L509 | V484-A511 WeakPolarHBondContact CG2-O 3.4Å; R487-A511 HydrophobicContact CG-CB 4.05Å; F508-A511 PolarHBondContact O-N 2.82Å; L509-A511 VanDerWaalsContact C-N 3.27Å; L509-A511 PolarHBondContact O-N 3.3Å |
| 512 | S | 93.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -104.2 | -6.6 | -171.5 | 65.9 | 0 | 0 | 0 | 0 | 114.7 | F508 L509 Y528 F531 | F508-S512 WeakPolarHBondContact CE1-OG 3.28Å; F508-S512 VanDerWaalsContact O-CB 3.29Å; F508-S512 WeakPolarHBondContact O-CB 3.43Å; F508-S512 PolarHBondContact O-N 2.86Å; F508-S512 PolarHBondContact O-OG 3.19Å; L509-S512 PolarHBondContact O-N 2.99Å; S512-Y528 PolarHBondContact OG-OH 2.85Å; S512-F531 WeakPolarHBondContact O-CE1 3.42Å |
| 513 | R | 93 | Very high | 89.8 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -65.5 | 129.1 | -178.2 | -177.9 | -178.8 | 61.6 | 75.6 | 6.1 | 111.4 | L509 F517 | L509-R513 VanDerWaalsContact O-CB 3.23Å; L509-R513 WeakPolarHBondContact O-CB 3.41Å; L509-R513 PolarHBondContact O-N 3.33Å; L509-R513 VanDerWaalsContact O-N 3.1Å; R513-F517 HydrophobicContact CG-CB 3.96Å; R513-F517 PolarHBondContact NH1-O 2.94Å |
| 514 | P | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | -54.7 | 137 | 169.9 | -24.2 | 31.7 | 0 | 0 | 0 | 111.5 | W516 F517 Y528 F531 | P514-W516 HydrophobicContact CB-CD2 4.13Å; P514-W516 HydrophobicContact CB-CH2 4.5Å; P514-W516 HydrophobicContact CB-CZ2 4.02Å; P514-W516 PolarHBondContact O-N 3.04Å; P514-W516 VanDerWaalsContact O-N 3.1Å; P514-F517 HydrophobicContact CB-CB 4.32Å; P514-F517 HydrophobicContact CB-CD1 3.93Å; P514-F517 HydrophobicContact CB-CD2 4.2Å; P514-F517 HydrophobicContact CB-CE1 4.32Å; P514-F517 HydrophobicContact CB-CG 3.87Å; P514-F517 HydrophobicContact CG-CD1 4.14Å; P514-F517 HydrophobicContact CG-CD2 3.64Å; P514-F517 HydrophobicContact CG-CE1 4.25Å; P514-F517 HydrophobicContact CG-CE2 3.76Å; P514-F517 HydrophobicContact CG-CG 3.85Å; P514-F517 HydrophobicContact CG-CZ 4.07Å; P514-F517 WeakPolarHBondContact O-CB 3.21Å; P514-F517 PolarHBondContact O-N 3.31Å; P514-Y528 HydrophobicContact CG-CD2 4.3Å; P514-F531 HydrophobicContact CB-CD1 4.12Å; P514-F531 HydrophobicContact CB-CD2 4.3Å; P514-F531 HydrophobicContact CB-CE1 4.28Å; P514-F531 HydrophobicContact CB-CE2 4.46Å; P514-F531 HydrophobicContact CB-CG 4.13Å; P514-F531 HydrophobicContact CB-CZ 4.45Å; P514-F531 HydrophobicContact CG-CB 4.12Å; P514-F531 HydrophobicContact CG-CD1 3.59Å; P514-F531 HydrophobicContact CG-CD2 4.45Å; P514-F531 HydrophobicContact CG-CE1 4.11Å; P514-F531 HydrophobicContact CG-CG 3.79Å | ||
| 515 | P | 91.2 | Very high | 90.1 | Very high | 96 Ų | 96 | 62 Ų | 62 | 62% | 0.623 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -33.6 | -177.4 | -28.8 | 35 | 0 | 0 | 0 | 114.3 | ||
| 516 | W | 93.6 | Very high | 90.2 | Very high | 151 Ų | 151 | 62 Ų | 62 | 57% | 0.572 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1.5 | -179.4 | 55.6 | 92.4 | 0 | 0 | 0 | 114.7 | P514 E527 F531 | P514-W516 HydrophobicContact CB-CD2 4.13Å; P514-W516 HydrophobicContact CB-CH2 4.5Å; P514-W516 HydrophobicContact CB-CZ2 4.02Å; P514-W516 PolarHBondContact O-N 3.04Å; P514-W516 VanDerWaalsContact O-N 3.1Å; W516-E527 PolarHBondContact NE1-OE1 3.13Å; W516-F531 AromaticContact CH2-CD2 3.68Å; W516-F531 HydrophobicContact CH2-CD2 3.68Å; W516-F531 AromaticContact CH2-CE2 3.94Å; W516-F531 HydrophobicContact CH2-CE2 3.94Å; W516-F531 HydrophobicContact CZ2-CD2 4.12Å; W516-F531 HydrophobicContact CZ3-CD2 4.48Å; W516-F531 HydrophobicContact CZ3-CE2 4.31Å |
| 517 | F | 92.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.009 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 123.3 | 175.7 | -80.4 | 14.4 | 0 | 0 | 0 | 111.2 | Y455 R513 P514 Q523 E527 | Y455-F517 HydrophobicContact CE2-CD2 4.13Å; Y455-F517 AromaticContact CE2-CE2 3.96Å; Y455-F517 HydrophobicContact CE2-CE2 3.96Å; R513-F517 HydrophobicContact CG-CB 3.96Å; R513-F517 PolarHBondContact NH1-O 2.94Å; P514-F517 HydrophobicContact CB-CB 4.32Å; P514-F517 HydrophobicContact CB-CD1 3.93Å; P514-F517 HydrophobicContact CB-CD2 4.2Å; P514-F517 HydrophobicContact CB-CE1 4.32Å; P514-F517 HydrophobicContact CB-CG 3.87Å; P514-F517 HydrophobicContact CG-CD1 4.14Å; P514-F517 HydrophobicContact CG-CD2 3.64Å; P514-F517 HydrophobicContact CG-CE1 4.25Å; P514-F517 HydrophobicContact CG-CE2 3.76Å; P514-F517 HydrophobicContact CG-CG 3.85Å; P514-F517 HydrophobicContact CG-CZ 4.07Å; P514-F517 WeakPolarHBondContact O-CB 3.21Å; P514-F517 PolarHBondContact O-N 3.31Å; F517-Q523 HydrophobicContact CB-CG 4.33Å; F517-Q523 HydrophobicContact CD1-CG 4.37Å; F517-Q523 HydrophobicContact CD2-CB 3.79Å; F517-Q523 HydrophobicContact CD2-CG 3.46Å; F517-Q523 VanDerWaalsContact CD2-CG 3.46Å; F517-Q523 HydrophobicContact CE2-CB 3.43Å; F517-Q523 VanDerWaalsContact CE2-CB 3.43Å; F517-Q523 HydrophobicContact CE2-CG 3.69Å; F517-Q523 HydrophobicContact CG-CB 4.46Å; F517-Q523 HydrophobicContact CG-CG 3.83Å; F517-Q523 HydrophobicContact CZ-CB 3.84Å; F517-Q523 HydrophobicContact CZ-CG 4.24Å; F517-E527 HydrophobicContact CE1-CG 4.28Å; F517-E527 HydrophobicContact CZ-CB 4.22Å; F517-E527 HydrophobicContact CZ-CG 4.06Å |
| 518 | N | 85.8 | Confident | 90.9 | Very high | 114 Ų | 114 | 53.8 Ų | 53.8 | 61% | 0.61 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 135.7 | 175.1 | -66.9 | -36.7 | 0 | 0 | 0 | 111.3 | G520 S521 | N518-G520 PolarHBondContact O-N 2.84Å; N518-S521 WeakPolarHBondContact CB-OG 3.39Å; N518-S521 PolarHBondContact O-N 2.79Å |
| 519 | M | 79.3 | Confident | 91 | Very high | 160 Ų | 160 | 54 Ų | 54 | 79% | 0.788 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 135.5 | 175.4 | -66.1 | -162.4 | -62.9 | 0 | 0 | 110.5 | S521 | M519-S521 PolarHBondContact O-N 2.9Š|
| 520 | G | 78.1 | Confident | 91.1 | Very high | 46 Ų | 46 | 56.9 Ų | 56.9 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 2.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N452 N518 | N452-G520 PolarHBondContact ND2-O 2.81Å; N518-G520 PolarHBondContact O-N 2.84Å |
| 521 | S | 83.1 | Confident | 91.4 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 34% | 0.343 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -91 | 150.7 | 171.8 | -60 | 0 | 0 | 0 | 0 | 111.2 | N518 M519 | N518-S521 WeakPolarHBondContact CB-OG 3.39Å; N518-S521 PolarHBondContact O-N 2.79Å; M519-S521 PolarHBondContact O-N 2.9Å |
| 522 | Q | 88.1 | Confident | 91.7 | Very high | 77 Ų | 77 | 49.5 Ų | 49.5 | 36% | 0.36 | 25% | 0.25 | S | S | . | . | trans | -71.6 | 145.6 | 170.6 | -63.8 | -173.6 | -7 | 0 | 0 | 109.9 | N452 S840 G841 | N452-Q522 HydrophobicContact CB-CG 3.95Å; N452-Q522 PolarHBondContact OD1-NE2 2.81Å; Q522-S840 VanDerWaalsContact OE1-CB 3.25Å; Q522-G841 PolarHBondContact NE2-O 2.75Å; Q522-G841 PolarHBondContact OE1-O 2.84Å | ||
| 523 | Q | 92.8 | Very high | 91.8 | Very high | 39 Ų | 39 | 49.6 Ų | 49.6 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | trans | -142 | 162.3 | -172.4 | -56.8 | -64.9 | -7.7 | 0 | 0 | 111.2 | Y455 F517 Y843 | Y455-Q523 HydrophobicContact CD1-CB 3.84Å; Y455-Q523 HydrophobicContact CD1-CG 4.33Å; Y455-Q523 HydrophobicContact CD2-CB 4.15Å; Y455-Q523 HydrophobicContact CE1-CB 3.78Å; Y455-Q523 HydrophobicContact CE1-CG 3.79Å; Y455-Q523 HydrophobicContact CE2-CB 4.12Å; Y455-Q523 HydrophobicContact CG-CB 4.03Å; F517-Q523 HydrophobicContact CB-CG 4.33Å; F517-Q523 HydrophobicContact CD1-CG 4.37Å; F517-Q523 HydrophobicContact CD2-CB 3.79Å; F517-Q523 HydrophobicContact CD2-CG 3.46Å; F517-Q523 VanDerWaalsContact CD2-CG 3.46Å; F517-Q523 HydrophobicContact CE2-CB 3.43Å; F517-Q523 VanDerWaalsContact CE2-CB 3.43Å; F517-Q523 HydrophobicContact CE2-CG 3.69Å; F517-Q523 HydrophobicContact CG-CB 4.46Å; F517-Q523 HydrophobicContact CG-CG 3.83Å; F517-Q523 HydrophobicContact CZ-CB 3.84Å; F517-Q523 HydrophobicContact CZ-CG 4.24Å; Q523-Y843 VanDerWaalsContact O-CE2 3.28Å; Q523-Y843 WeakPolarHBondContact O-CE2 3.44Å | ||
| 524 | D | 94.4 | Very high | 91.9 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 15% | 0.15 | 27% | 0.265 | C | S | . | . | trans | -77.4 | 124 | 175.5 | -169.6 | -53.4 | 0 | 0 | 0 | 111.1 | S526 E527 Y528 Y926 | D524-S526 PolarHBondContact O-N 2.91Å; D524-S526 WeakPolarHBondContact OD1-CA 3.5Å; D524-S526 VanDerWaalsContact OD1-CB 3.3Å; D524-S526 WeakPolarHBondContact OD1-CB 3.2Å; D524-S526 PolarHBondContact OD1-N 3.02Å; D524-S526 PolarHBondContact OD1-OG 2.9Å; D524-E527 HydrophobicContact CB-CB 3.95Å; D524-E527 PolarHBondContact O-N 2.77Å; D524-E527 PolarHBondContact OD1-N 2.65Å; D524-Y528 PolarHBondContact O-N 2.8Å; D524-Y528 VanDerWaalsContact O-N 3.14Å; D524-Y926 VanDerWaalsContact CG-OH 3.28Å; D524-Y926 WeakPolarHBondContact OD1-CE1 3.33Å; D524-Y926 PolarHBondContact OD1-OH 2.69Å; D524-Y926 PolarHBondContact OD2-OH 3.46Å | ||
| 525 | C | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.9 | -27.6 | -177.7 | 77 | 0 | 0 | 0 | 0 | 113.3 | I459 L529 Y843 Y926 | I459-C525 HydrophobicContact CD1-CB 4.25Å; I459-C525 HydrophobicContact CG1-CB 3.96Å; I459-C525 WeakPolarHBondContact CG1-O 3.28Å; C525-L529 WeakPolarHBondContact O-CB 3.42Å; C525-L529 PolarHBondContact O-N 3.43Å; C525-Y843 HydrophobicContact CB-CD1 3.99Å; C525-Y843 HydrophobicContact CB-CD2 4.43Å; C525-Y843 HydrophobicContact CB-CE1 3.84Å; C525-Y843 HydrophobicContact CB-CE2 4.31Å; C525-Y843 HydrophobicContact CB-CG 4.27Å; C525-Y843 WeakPolarHBondContact SG-CE1 3.45Å; C525-Y926 VanDerWaalsContact SG-CD1 3.57Å |
| 526 | S | 94.3 | Very high | 92 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.2 | -36.7 | 175.8 | 77.9 | 0 | 0 | 0 | 0 | 111.3 | D524 L529 R530 Y926 | D524-S526 PolarHBondContact O-N 2.91Å; D524-S526 WeakPolarHBondContact OD1-CA 3.5Å; D524-S526 VanDerWaalsContact OD1-CB 3.3Å; D524-S526 WeakPolarHBondContact OD1-CB 3.2Å; D524-S526 PolarHBondContact OD1-N 3.02Å; D524-S526 PolarHBondContact OD1-OG 2.9Å; S526-L529 PolarHBondContact O-N 2.87Å; S526-R530 WeakPolarHBondContact O-CG 3.48Å; S526-R530 PolarHBondContact O-N 2.92Å; S526-R530 PolarHBondContact OG-NH2 3.4Å; S526-Y926 PolarHBondContact OG-OH 2.99Å |
| 527 | E | 95.8 | Very high | 92 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.7 | -44.1 | 175.4 | -172.2 | -177.5 | 176.7 | 0 | 0 | 110.9 | W516 F517 D524 L529 R530 F531 | W516-E527 PolarHBondContact NE1-OE1 3.13Å; F517-E527 HydrophobicContact CE1-CG 4.28Å; F517-E527 HydrophobicContact CZ-CB 4.22Å; F517-E527 HydrophobicContact CZ-CG 4.06Å; D524-E527 HydrophobicContact CB-CB 3.95Å; D524-E527 PolarHBondContact O-N 2.77Å; D524-E527 PolarHBondContact OD1-N 2.65Å; E527-L529 VanDerWaalsContact C-N 3.35Å; E527-L529 PolarHBondContact O-N 2.81Å; E527-R530 PolarHBondContact O-N 3.46Å; E527-F531 WeakPolarHBondContact O-CB 3.38Å; E527-F531 PolarHBondContact O-N 3.04Å |
| 528 | Y | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.7 | -45 | 172.1 | 178.7 | -104.6 | 0 | 0 | 0 | 112.3 | Y455 M456 I459 F508 S512 P514 D524 F531 L532 | Y455-Y528 HydrophobicContact CD2-CD1 4.3Å; Y455-Y528 HydrophobicContact CD2-CD2 4.35Å; Y455-Y528 AromaticContact CD2-CG 3.87Å; Y455-Y528 HydrophobicContact CD2-CG 3.87Å; Y455-Y528 HydrophobicContact CE2-CD1 4.44Å; Y455-Y528 AromaticContact CE2-CD2 3.79Å; Y455-Y528 HydrophobicContact CE2-CD2 3.79Å; Y455-Y528 HydrophobicContact CE2-CE2 4.46Å; Y455-Y528 AromaticContact CE2-CG 3.78Å; Y455-Y528 HydrophobicContact CE2-CG 3.78Å; M456-Y528 HydrophobicContact CB-CD1 4.33Å; M456-Y528 HydrophobicContact CB-CE1 3.93Å; M456-Y528 HydrophobicContact CG-CE1 3.66Å; M456-Y528 HydrophobicContact CG-CE2 4.43Å; M456-Y528 WeakPolarHBondContact CG-OH 3.46Å; I459-Y528 HydrophobicContact CB-CD1 4.15Å; I459-Y528 HydrophobicContact CB-CE1 4.38Å; I459-Y528 HydrophobicContact CG1-CD1 4.29Å; I459-Y528 HydrophobicContact CG2-CD1 4.12Å; I459-Y528 HydrophobicContact CG2-CE1 4.2Å; F508-Y528 WeakPolarHBondContact CE1-OH 3.4Å; S512-Y528 PolarHBondContact OG-OH 2.85Å; P514-Y528 HydrophobicContact CG-CD2 4.3Å; D524-Y528 PolarHBondContact O-N 2.8Å; D524-Y528 VanDerWaalsContact O-N 3.14Å; Y528-F531 PolarHBondContact O-N 2.92Å; Y528-L532 HydrophobicContact CE1-CD2 4.08Å; Y528-L532 VanDerWaalsContact O-CB 3.26Å; Y528-L532 WeakPolarHBondContact O-CB 3.46Å; Y528-L532 PolarHBondContact O-N 3.38Å |
| 529 | L | 97 | Very high | 92.1 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -50 | 177.9 | 174.3 | 61.9 | 0 | 0 | 0 | 111.9 | I459 L463 C525 S526 E527 F531 L532 L533 I727 V927 | I459-L529 HydrophobicContact CD1-CB 3.91Å; I459-L529 HydrophobicContact CD1-CD2 4.11Å; I459-L529 HydrophobicContact CD1-CG 4.44Å; I459-L529 HydrophobicContact CG1-CB 4.28Å; I459-L529 HydrophobicContact CG2-CB 4.12Å; I459-L529 HydrophobicContact CG2-CD1 3.76Å; I459-L529 HydrophobicContact CG2-CG 4.48Å; L463-L529 HydrophobicContact CD1-CD1 4.25Å; L463-L529 HydrophobicContact CD2-CD1 4.24Å; L463-L529 HydrophobicContact CG-CD1 4.46Å; C525-L529 WeakPolarHBondContact O-CB 3.42Å; C525-L529 PolarHBondContact O-N 3.43Å; S526-L529 PolarHBondContact O-N 2.87Å; E527-L529 VanDerWaalsContact C-N 3.35Å; E527-L529 PolarHBondContact O-N 2.81Å; L529-F531 PolarHBondContact O-N 2.93Å; L529-L532 PolarHBondContact O-N 2.91Å; L529-L533 HydrophobicContact CD1-CD1 3.86Å; L529-L533 HydrophobicContact CD1-CD2 4.41Å; L529-L533 HydrophobicContact CD1-CG 3.9Å; L529-L533 HydrophobicContact CG-CD1 4.17Å; L529-L533 HydrophobicContact CG-CG 4.49Å; L529-L533 WeakPolarHBondContact O-CG 3.37Å; L529-L533 PolarHBondContact O-N 3.35Å; L529-I727 HydrophobicContact CD2-CD1 4.21Å; L529-I727 HydrophobicContact CD2-CG2 3.93Å; L529-V927 HydrophobicContact CD2-CG1 4.05Å |
| 530 | R | 94.6 | Very high | 92.5 | Very high | 92 Ų | 92 | 41 Ų | 41 | 35% | 0.347 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.2 | -49.7 | 178.5 | -79.4 | -177.7 | -82.4 | 102.2 | -1 | 111.2 | S526 E527 L532 L533 E534 D622 | S526-R530 WeakPolarHBondContact O-CG 3.48Å; S526-R530 PolarHBondContact O-N 2.92Å; S526-R530 PolarHBondContact OG-NH2 3.4Å; E527-R530 PolarHBondContact O-N 3.46Å; R530-L532 VanDerWaalsContact C-N 3.34Å; R530-L532 PolarHBondContact O-N 2.99Å; R530-L533 PolarHBondContact O-N 2.75Å; R530-E534 WeakPolarHBondContact O-CB 3.39Å; R530-E534 PolarHBondContact O-N 3.42Å; R530-D622 WeakPolarHBondContact CD-OD1 3.09Å |
| 531 | F | 96.7 | Very high | 93 | Very high | 37 Ų | 37 | 43 Ų | 43 | 16% | 0.162 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 176.7 | 176.6 | -95.4 | 0 | 0 | 0 | 112.1 | S512 P514 W516 E527 Y528 L529 E534 R535 | S512-F531 WeakPolarHBondContact O-CE1 3.42Å; P514-F531 HydrophobicContact CB-CD1 4.12Å; P514-F531 HydrophobicContact CB-CD2 4.3Å; P514-F531 HydrophobicContact CB-CE1 4.28Å; P514-F531 HydrophobicContact CB-CE2 4.46Å; P514-F531 HydrophobicContact CB-CG 4.13Å; P514-F531 HydrophobicContact CB-CZ 4.45Å; P514-F531 HydrophobicContact CG-CB 4.12Å; P514-F531 HydrophobicContact CG-CD1 3.59Å; P514-F531 HydrophobicContact CG-CD2 4.45Å; P514-F531 HydrophobicContact CG-CE1 4.11Å; P514-F531 HydrophobicContact CG-CG 3.79Å; W516-F531 AromaticContact CH2-CD2 3.68Å; W516-F531 HydrophobicContact CH2-CD2 3.68Å; W516-F531 AromaticContact CH2-CE2 3.94Å; W516-F531 HydrophobicContact CH2-CE2 3.94Å; W516-F531 HydrophobicContact CZ2-CD2 4.12Å; W516-F531 HydrophobicContact CZ3-CD2 4.48Å; W516-F531 HydrophobicContact CZ3-CE2 4.31Å; E527-F531 WeakPolarHBondContact O-CB 3.38Å; E527-F531 PolarHBondContact O-N 3.04Å; Y528-F531 PolarHBondContact O-N 2.92Å; L529-F531 PolarHBondContact O-N 2.93Å; F531-E534 PolarHBondContact O-N 3.27Å; F531-R535 HydrophobicContact CE1-CB 4.49Å; F531-R535 WeakPolarHBondContact O-CB 3.44Å; F531-R535 PolarHBondContact O-N 3.3Å |
| 532 | L | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 179.8 | 176.9 | 60.9 | 0 | 0 | 0 | 111.4 | I460 L463 V484 F508 Y528 L529 R530 R535 L536 | I460-L532 HydrophobicContact CD1-CD2 4.03Å; L463-L532 HydrophobicContact CD1-CD2 3.9Å; V484-L532 HydrophobicContact CG1-CD1 4.15Å; F508-L532 HydrophobicContact CZ-CD1 3.85Å; F508-L532 HydrophobicContact CZ-CD2 4.16Å; Y528-L532 HydrophobicContact CE1-CD2 4.08Å; Y528-L532 VanDerWaalsContact O-CB 3.26Å; Y528-L532 WeakPolarHBondContact O-CB 3.46Å; Y528-L532 PolarHBondContact O-N 3.38Å; L529-L532 PolarHBondContact O-N 2.91Å; R530-L532 VanDerWaalsContact C-N 3.34Å; R530-L532 PolarHBondContact O-N 2.99Å; L532-R535 PolarHBondContact O-N 2.79Å; L532-L536 HydrophobicContact CD1-CD1 4Å; L532-L536 HydrophobicContact CD1-CG 4.1Å; L532-L536 HydrophobicContact CG-CD1 4.03Å; L532-L536 WeakPolarHBondContact O-CB 3.42Å; L532-L536 WeakPolarHBondContact O-CG 3.42Å; L532-L536 PolarHBondContact O-N 3.14Å |
| 533 | L | 95.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 179.4 | -67 | -179.3 | 0 | 0 | 0 | 111.9 | L463 L529 R530 L536 H537 I593 F597 I727 | L463-L533 HydrophobicContact CD2-CD2 4.47Å; L529-L533 HydrophobicContact CD1-CD1 3.86Å; L529-L533 HydrophobicContact CD1-CD2 4.41Å; L529-L533 HydrophobicContact CD1-CG 3.9Å; L529-L533 HydrophobicContact CG-CD1 4.17Å; L529-L533 HydrophobicContact CG-CG 4.49Å; L529-L533 WeakPolarHBondContact O-CG 3.37Å; L529-L533 PolarHBondContact O-N 3.35Å; R530-L533 PolarHBondContact O-N 2.75Å; L533-L536 PolarHBondContact O-N 2.89Å; L533-H537 WeakPolarHBondContact O-CB 3.5Å; L533-H537 PolarHBondContact O-N 2.93Å; L533-I593 HydrophobicContact CB-CG2 4.1Å; L533-I593 HydrophobicContact CD2-CD1 4.02Å; L533-I593 HydrophobicContact CD2-CG2 4.4Å; L533-F597 HydrophobicContact CD1-CG 4.45Å; L533-F597 HydrophobicContact CD2-CD2 3.94Å; L533-F597 HydrophobicContact CD2-CE2 3.98Å; L533-I727 HydrophobicContact CD1-CD1 3.81Å |
| 534 | E | 94.3 | Very high | 92.1 | Very high | 128 Ų | 128 | 45.2 Ų | 45.2 | 60% | 0.598 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.8 | -44.7 | 175.4 | -176.6 | 173.1 | -161.5 | 0 | 0 | 111.4 | R530 F531 L536 H537 E538 | R530-E534 WeakPolarHBondContact O-CB 3.39Å; R530-E534 PolarHBondContact O-N 3.42Å; F531-E534 PolarHBondContact O-N 3.27Å; E534-L536 VanDerWaalsContact C-N 3.34Å; E534-L536 PolarHBondContact O-N 2.78Å; E534-H537 PolarHBondContact O-N 3.36Å; E534-E538 HydrophobicContact CG-CG 4.47Å; E534-E538 WeakPolarHBondContact O-CB 3.35Å; E534-E538 PolarHBondContact O-N 2.86Å |
| 535 | R | 94.3 | Very high | 91.5 | Very high | 130 Ų | 130 | 48.2 Ų | 48.2 | 49% | 0.491 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 177.9 | -175.3 | 60 | 175.5 | 178 | 2.2 | 112 | V484 F531 L532 E539 | V484-R535 HydrophobicContact CG2-CG 4.18Å; F531-R535 HydrophobicContact CE1-CB 4.49Å; F531-R535 WeakPolarHBondContact O-CB 3.44Å; F531-R535 PolarHBondContact O-N 3.3Å; L532-R535 PolarHBondContact O-N 2.79Å; R535-E539 WeakPolarHBondContact O-CB 3.3Å; R535-E539 PolarHBondContact O-N 3.06Å; R535-E539 VanDerWaalsContact O-N 3.08Å |
| 536 | L | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 176.6 | -67.3 | 172 | 0 | 0 | 0 | 111.7 | F469 V484 M485 L488 L532 L533 E534 E540 I593 | F469-L536 HydrophobicContact CZ-CD1 4.49Å; V484-L536 HydrophobicContact CB-CD2 4.3Å; V484-L536 HydrophobicContact CG1-CD2 4.07Å; M485-L536 HydrophobicContact CB-CD2 4Å; M485-L536 HydrophobicContact CE-CB 3.93Å; M485-L536 HydrophobicContact CE-CD2 3.82Å; M485-L536 HydrophobicContact CE-CG 4.29Å; M485-L536 HydrophobicContact SD-CD2 3.95Å; L488-L536 HydrophobicContact CD2-CD1 3.78Å; L488-L536 HydrophobicContact CD2-CD2 4.43Å; L532-L536 HydrophobicContact CD1-CD1 4Å; L532-L536 HydrophobicContact CD1-CG 4.1Å; L532-L536 HydrophobicContact CG-CD1 4.03Å; L532-L536 WeakPolarHBondContact O-CB 3.42Å; L532-L536 WeakPolarHBondContact O-CG 3.42Å; L532-L536 PolarHBondContact O-N 3.14Å; L533-L536 PolarHBondContact O-N 2.89Å; E534-L536 VanDerWaalsContact C-N 3.34Å; E534-L536 PolarHBondContact O-N 2.78Å; L536-E540 WeakPolarHBondContact O-CB 2.84Å; L536-E540 PolarHBondContact O-N 3.29Å; L536-E540 VanDerWaalsContact O-N 3.15Å; L536-I593 HydrophobicContact CB-CD1 3.93Å; L536-I593 HydrophobicContact CB-CG1 3.9Å; L536-I593 HydrophobicContact CD1-CD1 4.15Å |
| 537 | H | 92.5 | Very high | 89.4 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 13% | 0.125 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -52.5 | 176.2 | 169.9 | 73.4 | 0 | 0 | 0 | 111.7 | L533 E534 E539 E540 K541 T591 I593 E594 | L533-H537 WeakPolarHBondContact O-CB 3.5Å; L533-H537 PolarHBondContact O-N 2.93Å; E534-H537 PolarHBondContact O-N 3.36Å; H537-E539 VanDerWaalsContact C-N 3.33Å; H537-E539 PolarHBondContact O-N 3.49Å; H537-E540 PolarHBondContact O-N 2.97Å; H537-K541 VanDerWaalsContact O-CB 3.26Å; H537-K541 WeakPolarHBondContact O-CB 3.4Å; H537-K541 PolarHBondContact O-N 3.47Å; H537-T591 WeakPolarHBondContact ND1-CG2 3.47Å; H537-T591 PolarHBondContact ND1-OG1 3.01Å; H537-I593 HydrophobicContact CB-CB 4.03Å; H537-I593 HydrophobicContact CB-CG1 4.16Å; H537-I593 HydrophobicContact CB-CG2 4.27Å; H537-E594 VanDerWaalsContact CE1-CD 3.42Å; H537-E594 IonicContact CE1-OE1 3.92Å; H537-E594 PolarHBondContact CE1-OE1 3.02Å; H537-E594 VanDerWaalsContact CE1-OE1 3.29Å |
| 538 | E | 91.1 | Very high | 88.1 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 34% | 0.341 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.3 | -34.2 | -177 | -73.4 | -60.6 | 137.5 | 0 | 0 | 112.2 | E534 K541 T542 | E534-E538 HydrophobicContact CG-CG 4.47Å; E534-E538 WeakPolarHBondContact O-CB 3.35Å; E534-E538 PolarHBondContact O-N 2.86Å; E538-K541 IonicContact OE1-NZ 3.48Å; E538-K541 PolarHBondContact OE1-NZ 3.4Å; E538-K541 IonicContact OE2-NZ 2.75Å; E538-T542 VanDerWaalsContact O-CB 3.28Å; E538-T542 WeakPolarHBondContact O-CB 3.33Å; E538-T542 PolarHBondContact O-N 3.41Å; E538-T542 PolarHBondContact O-OG1 3.32Å |
| 539 | E | 89.6 | Confident | 86.6 | Confident | 35 Ų | 35 | 65.2 Ų | 65.2 | 16% | 0.164 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 173.2 | -176.4 | 167 | -132.1 | 0 | 0 | 111.6 | T483 V484 M485 R535 H537 L543 | T483-E539 WeakPolarHBondContact CA-OE1 3.44Å; T483-E539 WeakPolarHBondContact CB-OE1 3.37Å; T483-E539 HydrophobicContact CG2-CG 4.26Å; T483-E539 WeakPolarHBondContact CG2-OE1 3.48Å; V484-E539 PolarHBondContact N-OE1 3.47Å; V484-E539 VanDerWaalsContact N-OE1 3.15Å; V484-E539 PolarHBondContact N-OE2 2.8Å; M485-E539 PolarHBondContact N-OE2 3.5Å; M485-E539 VanDerWaalsContact N-OE2 3.14Å; R535-E539 WeakPolarHBondContact O-CB 3.3Å; R535-E539 PolarHBondContact O-N 3.06Å; R535-E539 VanDerWaalsContact O-N 3.08Å; H537-E539 VanDerWaalsContact C-N 3.33Å; H537-E539 PolarHBondContact O-N 3.49Å; E539-L543 VanDerWaalsContact O-CG 3.32Å; E539-L543 WeakPolarHBondContact O-CG 3.35Å; E539-L543 PolarHBondContact O-N 3.26Å; E539-L543 VanDerWaalsContact O-N 3.16Å |
| 540 | E | 88.1 | Confident | 84 | Confident | 29 Ų | 29 | 73 Ų | 73 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 177.9 | -172.1 | 177.3 | 172.2 | 0 | 0 | 112.1 | L536 H537 T542 L543 H544 T591 L592 | L536-E540 WeakPolarHBondContact O-CB 2.84Å; L536-E540 PolarHBondContact O-N 3.29Å; L536-E540 VanDerWaalsContact O-N 3.15Å; H537-E540 PolarHBondContact O-N 2.97Å; E540-T542 PolarHBondContact O-N 3.35Å; E540-L543 WeakPolarHBondContact O-CB 3.21Å; E540-L543 PolarHBondContact O-N 2.85Å; E540-H544 PolarHBondContact O-CD2 3.37Å; E540-H544 PolarHBondContact O-N 2.81Å; E540-H544 IonicContact OE1-NE2 3.85Å; E540-T591 HydrophobicContact CB-CG2 4.26Å; E540-T591 HydrophobicContact CG-CG2 4.29Å; E540-T591 WeakPolarHBondContact OE1-CA 3.44Å; E540-T591 WeakPolarHBondContact OE2-CB 3.4Å; E540-L592 PolarHBondContact OE1-N 3Å; E540-L592 VanDerWaalsContact OE2-CB 3.25Å; E540-L592 WeakPolarHBondContact OE2-CB 3.3Å; E540-L592 PolarHBondContact OE2-N 3.41Å |
| 541 | K | 87.6 | Confident | 81.6 | Confident | 89 Ų | 89 | 73.9 Ų | 73.9 | 39% | 0.387 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 177 | -177.6 | 178.7 | 174.4 | -173.8 | 0 | 112.2 | H537 E538 L543 H544 V545 T591 | H537-K541 VanDerWaalsContact O-CB 3.26Å; H537-K541 WeakPolarHBondContact O-CB 3.4Å; H537-K541 PolarHBondContact O-N 3.47Å; E538-K541 IonicContact OE1-NZ 3.48Å; E538-K541 PolarHBondContact OE1-NZ 3.4Å; E538-K541 IonicContact OE2-NZ 2.75Å; K541-L543 VanDerWaalsContact C-N 3.3Å; K541-L543 PolarHBondContact O-N 3.09Å; K541-H544 PolarHBondContact O-N 2.88Å; K541-V545 WeakPolarHBondContact O-CG2 3.38Å; K541-V545 PolarHBondContact O-N 3.1Å; K541-T591 HydrophobicContact CB-CG2 4.05Å |
| 542 | T | 84.9 | Confident | 79 | Confident | 74 Ų | 74 | 78.9 Ų | 78.9 | 45% | 0.454 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 175.8 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | E538 E540 V545 L546 | E538-T542 VanDerWaalsContact O-CB 3.28Å; E538-T542 WeakPolarHBondContact O-CB 3.33Å; E538-T542 PolarHBondContact O-N 3.41Å; E538-T542 PolarHBondContact O-OG1 3.32Å; E540-T542 PolarHBondContact O-N 3.35Å; T542-V545 PolarHBondContact O-N 3.01Å; T542-L546 HydrophobicContact CG2-CD1 3.99Å; T542-L546 HydrophobicContact CG2-CG 4.41Å; T542-L546 WeakPolarHBondContact O-CB 3.45Å; T542-L546 VanDerWaalsContact O-CG 3.28Å; T542-L546 WeakPolarHBondContact O-CG 3.41Å; T542-L546 PolarHBondContact O-N 2.86Å |
| 543 | L | 79.7 | Confident | 76.2 | Confident | 68 Ų | 68 | 84.7 Ų | 84.7 | 36% | 0.356 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 175.9 | -69.6 | 172 | 0 | 0 | 0 | 112 | E539 E540 K541 V545 L546 Q547 | E539-L543 VanDerWaalsContact O-CG 3.32Å; E539-L543 WeakPolarHBondContact O-CG 3.35Å; E539-L543 PolarHBondContact O-N 3.26Å; E539-L543 VanDerWaalsContact O-N 3.16Å; E540-L543 WeakPolarHBondContact O-CB 3.21Å; E540-L543 PolarHBondContact O-N 2.85Å; K541-L543 VanDerWaalsContact C-N 3.3Å; K541-L543 PolarHBondContact O-N 3.09Å; L543-V545 PolarHBondContact O-N 2.78Å; L543-L546 PolarHBondContact O-N 3.35Å; L543-Q547 WeakPolarHBondContact O-CB 3.46Å; L543-Q547 VanDerWaalsContact O-CG 3.23Å; L543-Q547 WeakPolarHBondContact O-CG 3.45Å; L543-Q547 PolarHBondContact O-N 2.72Å |
| 544 | H | 81.3 | Confident | 73.7 | Confident | 69 Ų | 69 | 88.8 Ų | 88.8 | 32% | 0.319 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 174.8 | -81.8 | -65.1 | 0 | 0 | 0 | 112.6 | E540 K541 Q547 S548 | E540-H544 PolarHBondContact O-CD2 3.37Å; E540-H544 PolarHBondContact O-N 2.81Å; E540-H544 IonicContact OE1-NE2 3.85Å; K541-H544 PolarHBondContact O-N 2.88Å; H544-Q547 PolarHBondContact O-N 3.2Å; H544-S548 WeakPolarHBondContact O-CB 3.22Å; H544-S548 PolarHBondContact O-N 2.84Å; H544-S548 PolarHBondContact O-OG 3.11Å |
| 545 | V | 81.3 | Confident | 70.7 | Confident | 91 Ų | 91 | 87.9 Ų | 87.9 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | K541 T542 L543 Q547 S548 A549 | K541-V545 WeakPolarHBondContact O-CG2 3.38Å; K541-V545 PolarHBondContact O-N 3.1Å; T542-V545 PolarHBondContact O-N 3.01Å; L543-V545 PolarHBondContact O-N 2.78Å; V545-Q547 VanDerWaalsContact C-N 3.32Å; V545-Q547 PolarHBondContact O-N 3.23Å; V545-S548 PolarHBondContact O-N 3.06Å; V545-A549 VanDerWaalsContact O-CB 3.32Å; V545-A549 WeakPolarHBondContact O-CB 3.36Å; V545-A549 PolarHBondContact O-N 3.14Å |
| 546 | L | 75.8 | Confident | 68.2 | Low | 106 Ų | 106 | 89.4 Ų | 89.4 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -34.2 | 178.5 | -70.3 | 172.1 | 0 | 0 | 0 | 113 | T542 L543 | T542-L546 HydrophobicContact CG2-CD1 3.99Å; T542-L546 HydrophobicContact CG2-CG 4.41Å; T542-L546 WeakPolarHBondContact O-CB 3.45Å; T542-L546 VanDerWaalsContact O-CG 3.28Å; T542-L546 WeakPolarHBondContact O-CG 3.41Å; T542-L546 PolarHBondContact O-N 2.86Å; L543-L546 PolarHBondContact O-N 3.35Å |
| 547 | Q | 70.9 | Confident | 65.4 | Low | 136 Ų | 136 | 96.3 Ų | 96.3 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.1 | -36.2 | 174.1 | -73.6 | 172.9 | 1.3 | 0 | 0 | 112 | L543 H544 V545 A549 | L543-Q547 WeakPolarHBondContact O-CB 3.46Å; L543-Q547 VanDerWaalsContact O-CG 3.23Å; L543-Q547 WeakPolarHBondContact O-CG 3.45Å; L543-Q547 PolarHBondContact O-N 2.72Å; H544-Q547 PolarHBondContact O-N 3.2Å; V545-Q547 VanDerWaalsContact C-N 3.32Å; V545-Q547 PolarHBondContact O-N 3.23Å; Q547-A549 VanDerWaalsContact C-N 3.31Å |
| 548 | S | 68.7 | Low | 62.5 | Low | 103 Ų | 103 | 102.2 Ų | 102.2 | 72% | 0.72 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -74.3 | -21 | 177.2 | -53 | 0 | 0 | 0 | 0 | 113 | H544 V545 | H544-S548 WeakPolarHBondContact O-CB 3.22Å; H544-S548 PolarHBondContact O-N 2.84Å; H544-S548 PolarHBondContact O-OG 3.11Å; V545-S548 PolarHBondContact O-N 3.06Å |
| 549 | A | 64.1 | Low | 60.5 | Low | 71 Ų | 71 | 103.8 Ų | 103.8 | 59% | 0.587 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -0.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V545 Q547 P551 | V545-A549 VanDerWaalsContact O-CB 3.32Å; V545-A549 WeakPolarHBondContact O-CB 3.36Å; V545-A549 PolarHBondContact O-N 3.14Å; Q547-A549 VanDerWaalsContact C-N 3.31Å; A549-P551 WeakPolarHBondContact O-CD 3.5Å |
| 550 | K | 43.4 | Very low | 57.8 | Low | 171 Ų | 171 | 109.7 Ų | 109.7 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -78.5 | 117.6 | 173.3 | -85 | -177.1 | 177.1 | 178.4 | 0 | 110.4 | ||
| 551 | P | 43.2 | Very low | 55.2 | Low | 111 Ų | 111 | 113.9 Ų | 113.9 | 72% | 0.721 | 67% | 0.666 | S | S | * | * | trans | -72.9 | 135.1 | 177.6 | 27.1 | -27.3 | 0 | 0 | 0 | 110.5 | A549 V553 | A549-P551 WeakPolarHBondContact O-CD 3.5Å; P551-V553 PolarHBondContact O-N 3.44Å | ||
| 552 | T | 43.1 | Very low | 52.5 | Low | 143 Ų | 143 | 120.7 Ų | 120.7 | 88% | 0.877 | 69% | 0.689 | S | S | * | * | trans | -65.8 | 96.3 | 172.5 | -45.5 | 0 | 0 | 0 | 0 | 109.3 | A554 | T552-A554 PolarHBondContact O-N 3.09Å; T552-A554 VanDerWaalsContact O-N 3.15Å | ||
| 553 | V | 37.6 | Very low | 49.8 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 74% | 0.739 | 71% | 0.708 | S | S | * | * | trans | -78 | 96.7 | 166.3 | -176.8 | 0 | 0 | 0 | 0 | 107.3 | P551 S555 | P551-V553 PolarHBondContact O-N 3.44Å; V553-S555 PolarHBondContact O-N 2.98Å | ||
| 554 | A | 42.1 | Very low | 48.2 | Very low | 88 Ų | 88 | 126 Ų | 126 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | -64.7 | 113.8 | 160 | 0 | 0 | 0 | 0 | 0 | 107.8 | T552 | T552-A554 PolarHBondContact O-N 3.09Å; T552-A554 VanDerWaalsContact O-N 3.15Å | ||
| 555 | S | 32.8 | Very low | 45.7 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | -114.4 | 110.8 | 169.3 | -147.7 | 0 | 0 | 0 | 0 | 109.1 | V553 | V553-S555 PolarHBondContact O-N 2.98Š| ||
| 556 | L | 40.6 | Very low | 43.3 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -62.6 | 127.1 | 169.7 | -58.8 | 140.9 | 0 | 0 | 0 | 109.6 | ||||
| 557 | V | 35.3 | Very low | 41.6 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | -155.9 | 134 | 140.2 | -158.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 558 | D | 30.7 | Very low | 39.4 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | -59.1 | 166.9 | 177 | -89.7 | -45.6 | 0 | 0 | 0 | 116.9 | ||||
| 559 | P | 50.5 | Low | 37.5 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | trans | -89.8 | 171.7 | -175.9 | 37.3 | -33 | 0 | 0 | 0 | 113 | ||||
| 560 | I | 31.3 | Very low | 35.7 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 82% | 0.821 | 78% | 0.784 | S | S | * | * | trans | 124.2 | 101.5 | 159.6 | -61.7 | 154.6 | 0 | 0 | 0 | 113.5 | ||||
| 561 | S | 33.3 | Very low | 35 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | 162.6 | 140.6 | 105.7 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 562 | R | 31 | Very low | 34.3 | Very low | 232 Ų | 232 | 135.8 Ų | 135.8 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | -82 | 148 | 179.4 | -59.6 | 167.6 | 177.6 | 169.2 | -2.1 | 109 | ||||
| 563 | D | 29.7 | Very low | 33.8 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | -172.3 | 158.4 | 99.5 | -114.9 | 4.5 | 0 | 0 | 0 | 114.1 | |||||
| 564 | P | 44.8 | Very low | 33.4 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -105.5 | 156 | -162.6 | 40 | -33.6 | 0 | 0 | 0 | 113.1 | ||||
| 565 | T | 29.6 | Very low | 32.7 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | trans | -161.8 | 137.6 | 140.4 | 6.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 566 | S | 29.8 | Very low | 32.4 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -83.6 | -165.5 | -159.9 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 567 | P | 40.6 | Very low | 31.9 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | cis | -131.6 | 151.2 | -32.5 | 23.5 | -3.7 | 0 | 0 | 0 | 112.6 | ||||
| 568 | T | 25.8 | Very low | 31.6 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -171.2 | 114.2 | 133.7 | 7.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 569 | T | 28.7 | Very low | 31.7 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | 50.3 | 96.9 | 147.5 | 53.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 570 | S | 26.7 | Very low | 30.6 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -45.7 | 148.6 | 138 | 49.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 571 | E | 28.1 | Very low | 30.4 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | -155.5 | 137.4 | 53.3 | -69.4 | 176.5 | 152.7 | 0 | 0 | 110.4 | |||||
| 572 | D | 29.1 | Very low | 30.3 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | 154.3 | 76.3 | 152 | -87.9 | -15.8 | 0 | 0 | 0 | 110.2 | ||||
| 573 | R | 30.8 | Very low | 30.5 | Very low | 249 Ų | 249 | 139 Ų | 139 | 94% | 0.94 | 76% | 0.759 | S | S | * | * | trans | -164.3 | 58.5 | 166.1 | -115.5 | 175.2 | -169.6 | -163.2 | 3.4 | 112.3 | ||||
| 574 | K | 29.3 | Very low | 30.7 | Very low | 195 Ų | 195 | 142 Ų | 142 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | -144 | 96.9 | 158.5 | -87.8 | -176.3 | 177.1 | 175.9 | 0 | 106.1 | ||||
| 575 | D | 27.1 | Very low | 30 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -176.4 | 7.6 | 157.8 | -91.6 | -14.4 | 0 | 0 | 0 | 114.1 | ||
| 576 | C | 28.3 | Very low | 30.4 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -93 | -1.1 | -179.3 | -65.2 | 0 | 0 | 0 | 0 | 116.2 | ||
| 577 | H | 28.4 | Very low | 31.1 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -110.3 | 3.8 | -173.5 | -89.8 | -60.9 | 0 | 0 | 0 | 116.1 | ||
| 578 | L | 29 | Very low | 31.6 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -102.8 | -12.1 | 178 | -69.8 | 169.9 | 0 | 0 | 0 | 114.2 | ||
| 579 | V | 32.6 | Very low | 33.6 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 65% | 0.648 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -96 | -17.5 | -177.5 | -166.3 | 0 | 0 | 0 | 0 | 113 | A581 | V579-A581 VanDerWaalsContact C-N 3.31Å; V579-A581 PolarHBondContact O-N 3.41Å |
| 580 | E | 29.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 137 Ų | 137 | 57% | 0.57 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -14 | 179.2 | -70.6 | -173.6 | 157.8 | 0 | 0 | 113.9 | ||
| 581 | A | 27.1 | Very low | 39.2 | Very low | 74 Ų | 74 | 132 Ų | 132 | 61% | 0.612 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -28.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V579 | V579-A581 VanDerWaalsContact C-N 3.31Å; V579-A581 PolarHBondContact O-N 3.41Å |
| 582 | E | 31.1 | Very low | 42.2 | Very low | 164 Ų | 164 | 123.8 Ų | 123.8 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -80.5 | -24.5 | -178.1 | -69.6 | -174.6 | 156.5 | 0 | 0 | 113.1 | R584 | E582-R584 PolarHBondContact O-N 2.93Š|
| 583 | N | 34.1 | Very low | 45.3 | Very low | 130 Ų | 130 | 116.2 Ų | 116.2 | 70% | 0.695 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -84.9 | -4.6 | -176.7 | -117.1 | -5.8 | 0 | 0 | 0 | 114.9 | ||
| 584 | R | 34.1 | Very low | 48.2 | Very low | 221 Ų | 221 | 107.9 Ų | 107.9 | 83% | 0.834 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -86.9 | -10.2 | 176.3 | -70.3 | -169.5 | -167.1 | -146 | 3 | 113.9 | E582 | E582-R584 PolarHBondContact O-N 2.93Š|
| 585 | C | 31 | Very low | 51.2 | Low | 123 Ų | 123 | 102.6 Ų | 102.6 | 83% | 0.831 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -99.9 | 8.7 | -168.5 | -139.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 586 | A | 38.7 | Very low | 54.4 | Low | 86 Ų | 86 | 96.6 Ų | 96.6 | 71% | 0.711 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -141.3 | -6.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | N588 | A586-N588 PolarHBondContact O-N 2.76Š|
| 587 | N | 43.6 | Very low | 57.6 | Low | 84 Ų | 84 | 91.4 Ų | 91.4 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | trans | -94.3 | 102.9 | -175.6 | -81.3 | -17.8 | 0 | 0 | 0 | 111.8 | G589 R595 | N587-G589 PolarHBondContact O-N 2.7Å; N587-R595 PolarHBondContact OD1-NH1 2.96Å; N587-R595 VanDerWaalsContact OD1-NH1 3.12Å | ||
| 588 | N | 51.6 | Low | 60.7 | Low | 141 Ų | 141 | 84.6 Ų | 84.6 | 75% | 0.754 | 46% | 0.462 | S | S | * | . | trans | -63.4 | 31.7 | 174.7 | -99.4 | -5.8 | 0 | 0 | 0 | 115.1 | A586 R590 | A586-N588 PolarHBondContact O-N 2.76Å; N588-R590 PolarHBondContact O-N 3.1Å; N588-R590 VanDerWaalsContact O-N 3.09Å | ||
| 589 | G | 66.3 | Low | 63.7 | Low | 62 Ų | 62 | 77.8 Ų | 77.8 | 64% | 0.639 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 65.1 | 9.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N587 | N587-G589 PolarHBondContact O-N 2.7Š|
| 590 | R | 82.5 | Confident | 66.6 | Low | 118 Ų | 118 | 76.1 Ų | 76.1 | 45% | 0.445 | 41% | 0.411 | S | S | . | . | trans | -88.1 | 140.8 | 179.9 | -65.3 | -175.1 | -171.1 | 177.8 | 2.5 | 111.7 | N588 E594 R595 | N588-R590 PolarHBondContact O-N 3.1Å; N588-R590 VanDerWaalsContact O-N 3.09Å; R590-E594 WeakPolarHBondContact CA-OE2 3.41Å; R590-E594 HydrophobicContact CB-CB 4.17Å; R590-E594 WeakPolarHBondContact CB-OE2 3.13Å; R590-R595 HydrophobicContact CB-CG 4.07Å | ||
| 591 | T | 90.6 | Very high | 69.7 | Low | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.018 | 39% | 0.387 | C | S | . | . | trans | -71.8 | 163.5 | 177.9 | 81.7 | 0 | 0 | 0 | 0 | 111.6 | H537 E540 K541 I593 E594 R595 | H537-T591 WeakPolarHBondContact ND1-CG2 3.47Å; H537-T591 PolarHBondContact ND1-OG1 3.01Å; E540-T591 HydrophobicContact CB-CG2 4.26Å; E540-T591 HydrophobicContact CG-CG2 4.29Å; E540-T591 WeakPolarHBondContact OE1-CA 3.44Å; E540-T591 WeakPolarHBondContact OE2-CB 3.4Å; K541-T591 HydrophobicContact CB-CG2 4.05Å; T591-I593 PolarHBondContact O-N 2.83Å; T591-I593 PolarHBondContact OG1-N 2.89Å; T591-E594 PolarHBondContact N-OE2 3.28Å; T591-E594 PolarHBondContact O-N 2.72Å; T591-E594 PolarHBondContact OG1-N 2.69Å; T591-R595 WeakPolarHBondContact O-CG 3.41Å; T591-R595 PolarHBondContact O-N 2.75Å | ||
| 592 | L | 91.6 | Very high | 72.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -53.1 | -42.8 | 172.8 | 176.3 | 58.8 | 0 | 0 | 0 | 111.9 | F469 Q472 V473 L476 M485 E540 R595 M596 | F469-L592 HydrophobicContact CD2-CD1 4.5Å; F469-L592 HydrophobicContact CD2-CD2 4.15Å; F469-L592 HydrophobicContact CD2-CG 4.18Å; F469-L592 HydrophobicContact CE2-CD2 3.84Å; F469-L592 HydrophobicContact CE2-CG 4.06Å; Q472-L592 HydrophobicContact CB-CD1 3.6Å; Q472-L592 HydrophobicContact CB-CD2 4.33Å; Q472-L592 HydrophobicContact CG-CD1 4.21Å; V473-L592 HydrophobicContact CG2-CD2 3.82Å; L476-L592 HydrophobicContact CD1-CD2 4.29Å; M485-L592 HydrophobicContact CE-CD2 4.35Å; E540-L592 PolarHBondContact OE1-N 3Å; E540-L592 VanDerWaalsContact OE2-CB 3.25Å; E540-L592 WeakPolarHBondContact OE2-CB 3.3Å; E540-L592 PolarHBondContact OE2-N 3.41Å; L592-R595 PolarHBondContact O-N 2.82Å; L592-M596 HydrophobicContact CD1-CG 3.78Å; L592-M596 HydrophobicContact CG-CG 4.49Å; L592-M596 WeakPolarHBondContact O-CB 3.46Å; L592-M596 WeakPolarHBondContact O-CG 3.48Å; L592-M596 PolarHBondContact O-N 3.44Å |
| 593 | I | 93.7 | Very high | 75.8 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 179.6 | -55.1 | -54 | 0 | 0 | 0 | 111.1 | F469 L533 L536 H537 T591 R595 M596 F597 G598 T621 | F469-I593 HydrophobicContact CE2-CD1 3.84Å; F469-I593 HydrophobicContact CZ-CD1 4.26Å; L533-I593 HydrophobicContact CB-CG2 4.1Å; L533-I593 HydrophobicContact CD2-CD1 4.02Å; L533-I593 HydrophobicContact CD2-CG2 4.4Å; L536-I593 HydrophobicContact CB-CD1 3.93Å; L536-I593 HydrophobicContact CB-CG1 3.9Å; L536-I593 HydrophobicContact CD1-CD1 4.15Å; H537-I593 HydrophobicContact CB-CB 4.03Å; H537-I593 HydrophobicContact CB-CG1 4.16Å; H537-I593 HydrophobicContact CB-CG2 4.27Å; T591-I593 PolarHBondContact O-N 2.83Å; T591-I593 PolarHBondContact OG1-N 2.89Å; I593-R595 VanDerWaalsContact C-N 3.33Å; I593-R595 PolarHBondContact O-N 3.18Å; I593-M596 PolarHBondContact O-N 2.6Å; I593-F597 HydrophobicContact CD1-CD2 4.43Å; I593-F597 HydrophobicContact CG2-CD2 4.33Å; I593-F597 PolarHBondContact O-N 3.15Å; I593-G598 PolarHBondContact O-N 3.18Å; I593-T621 HydrophobicContact CG2-CG2 4.41Å |
| 594 | E | 92.4 | Very high | 78.6 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 34% | 0.341 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 176.7 | -70.2 | 177.3 | 142.1 | 0 | 0 | 112.5 | H537 R590 T591 G598 | H537-E594 VanDerWaalsContact CE1-CD 3.42Å; H537-E594 IonicContact CE1-OE1 3.92Å; H537-E594 PolarHBondContact CE1-OE1 3.02Å; H537-E594 VanDerWaalsContact CE1-OE1 3.29Å; R590-E594 WeakPolarHBondContact CA-OE2 3.41Å; R590-E594 HydrophobicContact CB-CB 4.17Å; R590-E594 WeakPolarHBondContact CB-OE2 3.13Å; T591-E594 PolarHBondContact N-OE2 3.28Å; T591-E594 PolarHBondContact O-N 2.72Å; T591-E594 PolarHBondContact OG1-N 2.69Å; E594-G598 VanDerWaalsContact O-CA 3.29Å; E594-G598 WeakPolarHBondContact O-CA 3.4Å; E594-G598 PolarHBondContact O-N 3Å |
| 595 | R | 92.7 | Very high | 81.4 | Confident | 84 Ų | 84 | 46.9 Ų | 46.9 | 32% | 0.317 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 178.1 | -70.3 | -175 | -65.5 | 152.9 | 9.5 | 112.2 | N587 R590 T591 L592 I593 | N587-R595 PolarHBondContact OD1-NH1 2.96Å; N587-R595 VanDerWaalsContact OD1-NH1 3.12Å; R590-R595 HydrophobicContact CB-CG 4.07Å; T591-R595 WeakPolarHBondContact O-CG 3.41Å; T591-R595 PolarHBondContact O-N 2.75Å; L592-R595 PolarHBondContact O-N 2.82Å; I593-R595 VanDerWaalsContact C-N 3.33Å; I593-R595 PolarHBondContact O-N 3.18Å |
| 596 | M | 93.3 | Very high | 84.4 | Confident | 17 Ų | 17 | 46 Ų | 46 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -90 | -45 | -174.2 | -62.4 | -65.4 | 96.9 | 0 | 0 | 113 | D468 F469 Q472 L592 I593 E724 Y725 | D468-M596 HydrophobicContact CB-SD 4.12Å; F469-M596 HydrophobicContact CD2-CG 4.25Å; Q472-M596 VanDerWaalsContact NE2-CE 3.27Å; Q472-M596 PolarHBondContact NE2-SD 3.34Å; Q472-M596 VanDerWaalsContact NE2-SD 3.43Å; L592-M596 HydrophobicContact CD1-CG 3.78Å; L592-M596 HydrophobicContact CG-CG 4.49Å; L592-M596 WeakPolarHBondContact O-CB 3.46Å; L592-M596 WeakPolarHBondContact O-CG 3.48Å; L592-M596 PolarHBondContact O-N 3.44Å; I593-M596 PolarHBondContact O-N 2.6Å; M596-E724 WeakPolarHBondContact O-CB 3.5Å; M596-E724 PolarHBondContact O-N 2.86Å; M596-E724 VanDerWaalsContact O-N 3.16Å; M596-Y725 PolarHBondContact O-N 2.85Å |
| 597 | F | 95.8 | Very high | 87 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -8.9 | -171.8 | -53.4 | -75.1 | 0 | 0 | 0 | 113.3 | L463 F469 L533 I593 G599 T621 P723 Y725 I727 M929 | L463-F597 HydrophobicContact CD2-CE1 4.25Å; L463-F597 HydrophobicContact CD2-CE2 4.4Å; L463-F597 HydrophobicContact CD2-CZ 3.72Å; F469-F597 HydrophobicContact CB-CZ 4.18Å; F469-F597 HydrophobicContact CD1-CE2 4.39Å; F469-F597 HydrophobicContact CD1-CZ 4.21Å; F469-F597 AromaticContact CD2-CE2 3.65Å; F469-F597 HydrophobicContact CD2-CE2 3.65Å; F469-F597 HydrophobicContact CD2-CZ 4.12Å; F469-F597 AromaticContact CE2-CE2 3.87Å; F469-F597 HydrophobicContact CE2-CE2 3.87Å; F469-F597 AromaticContact CG-CE2 3.93Å; F469-F597 HydrophobicContact CG-CE2 3.93Å; F469-F597 AromaticContact CG-CZ 3.9Å; F469-F597 HydrophobicContact CG-CZ 3.9Å; F469-F597 HydrophobicContact CZ-CE2 4.32Å; L533-F597 HydrophobicContact CD1-CG 4.45Å; L533-F597 HydrophobicContact CD2-CD2 3.94Å; L533-F597 HydrophobicContact CD2-CE2 3.98Å; I593-F597 HydrophobicContact CD1-CD2 4.43Å; I593-F597 HydrophobicContact CG2-CD2 4.33Å; I593-F597 PolarHBondContact O-N 3.15Å; F597-G599 PolarHBondContact O-N 2.86Å; F597-T621 WeakPolarHBondContact O-CA 3.31Å; F597-P723 VanDerWaalsContact C-CB 3.5Å; F597-P723 WeakPolarHBondContact O-CB 3.46Å; F597-Y725 HydrophobicContact CE1-CD2 4.48Å; F597-Y725 HydrophobicContact CE1-CG 4.08Å; F597-I727 HydrophobicContact CB-CD1 4.48Å; F597-I727 HydrophobicContact CD1-CD1 3.62Å; F597-I727 HydrophobicContact CD1-CG1 4.21Å; F597-I727 HydrophobicContact CE1-CD1 4.18Å; F597-I727 HydrophobicContact CG-CD1 4.25Å; F597-M929 HydrophobicContact CE1-SD 4.33Å |
| 598 | G | 93.4 | Very high | 89.3 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | trans | -78.3 | 118.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I593 E594 | I593-G598 PolarHBondContact O-N 3.18Å; E594-G598 VanDerWaalsContact O-CA 3.29Å; E594-G598 WeakPolarHBondContact O-CA 3.4Å; E594-G598 PolarHBondContact O-N 3Å | ||
| 599 | G | 93.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 173.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F597 P619 F620 S721 | F597-G599 PolarHBondContact O-N 2.86Å; G599-P619 WeakPolarHBondContact O-CA 3.46Å; G599-F620 VanDerWaalsContact CA-CE1 3.48Å; G599-F620 PolarHBondContact N-O 3.04Å; G599-F620 PolarHBondContact O-N 2.85Å; G599-S721 CarbonylContact C-O 2.85Å; G599-S721 VanDerWaalsContact CA-O 3.27Å; G599-S721 WeakPolarHBondContact CA-O 3.23Å |
| 600 | K | 93.3 | Very high | 92.3 | Very high | 73 Ų | 73 | 41.7 Ų | 41.7 | 32% | 0.317 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 133.6 | 176.2 | -64.7 | 170.4 | 157.7 | -144.2 | 0 | 111.2 | E617 F620 V720 S721 | K600-E617 HydrophobicContact CB-CG 4.5Å; K600-E617 WeakPolarHBondContact CD-OE1 3.5Å; K600-E617 VanDerWaalsContact CE-OE1 3.24Å; K600-E617 WeakPolarHBondContact CE-OE1 3.19Å; K600-E617 IonicContact NZ-OE1 3.31Å; K600-E617 PolarHBondContact NZ-OE1 2.92Å; K600-F620 VanDerWaalsContact N-CE1 3.31Å; K600-V720 HydrophobicContact CB-CG2 3.76Å; K600-V720 WeakPolarHBondContact O-CG2 3.37Å; K600-V720 PolarHBondContact O-N 2.89Å; K600-S721 PolarHBondContact N-O 2.83Å; K600-S721 PolarHBondContact O-N 2.87Å |
| 601 | L | 93.4 | Very high | 92.7 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 146.8 | 174.5 | -73.6 | 158.2 | 0 | 0 | 0 | 109.6 | E617 E618 F620 L623 F690 L691 K718 V719 | L601-E617 CarbonylContact O-C 3.44Å; L601-E617 WeakPolarHBondContact O-CA 3.44Å; L601-E618 PolarHBondContact N-O 3.3Å; L601-E618 PolarHBondContact O-N 2.77Å; L601-F620 HydrophobicContact CB-CD1 4.46Å; L601-F620 HydrophobicContact CD1-CB 4.27Å; L601-F620 HydrophobicContact CD1-CD1 3.62Å; L601-F620 HydrophobicContact CD1-CE1 4.18Å; L601-F620 HydrophobicContact CD1-CG 4.1Å; L601-F620 HydrophobicContact CD2-CE1 4.45Å; L601-F620 HydrophobicContact CG-CD1 3.58Å; L601-F620 HydrophobicContact CG-CE1 3.78Å; L601-L623 HydrophobicContact CD1-CD2 3.96Å; L601-F690 HydrophobicContact CD1-CE1 4.42Å; L601-L691 HydrophobicContact CD2-CD2 4.35Å; L601-K718 CarbonylContact C-O 3.51Å; L601-K718 WeakPolarHBondContact CA-O 3.24Å; L601-V719 HydrophobicContact CD2-CB 4.41Å; L601-V719 HydrophobicContact CD2-CG2 3.7Å |
| 602 | I | 94.3 | Very high | 92.7 | Very high | 32 Ų | 32 | 41.9 Ų | 41.9 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.4 | 164.9 | -64 | -175.9 | 0 | 0 | 0 | 108 | E615 K616 E617 M717 K718 V720 | I602-E615 HydrophobicContact CG2-CB 4.03Å; I602-E615 HydrophobicContact CG2-CG 4.35Å; I602-K616 WeakPolarHBondContact CA-O 3.19Å; I602-E617 HydrophobicContact CG1-CB 4.3Å; I602-E617 HydrophobicContact CG1-CG 4.27Å; I602-M717 WeakPolarHBondContact O-CA 3.32Å; I602-K718 PolarHBondContact N-O 3.49Å; I602-K718 PolarHBondContact O-N 3.06Å; I602-V720 HydrophobicContact CB-CG1 4.37Å; I602-V720 HydrophobicContact CD1-CB 4.44Å; I602-V720 HydrophobicContact CD1-CG1 3.6Å; I602-V720 HydrophobicContact CD1-CG2 4.2Å; I602-V720 HydrophobicContact CG1-CB 4.49Å; I602-V720 HydrophobicContact CG1-CG1 3.76Å; I602-V720 HydrophobicContact CG1-CG2 3.92Å |
| 603 | T | 93.1 | Very high | 92.6 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 116.4 | 168 | -61 | 0 | 0 | 0 | 0 | 108.5 | E615 K616 R715 T716 M717 | T603-E615 WeakPolarHBondContact O-CA 3.46Å; T603-K616 PolarHBondContact N-O 2.83Å; T603-K616 PolarHBondContact O-N 3.41Å; T603-R715 HydrophobicContact CG2-CG 4.01Å; T603-T716 CarbonylContact C-O 3.54Å; T603-T716 WeakPolarHBondContact CA-O 3.2Å; T603-M717 HydrophobicContact CG2-CG 4.47Å |
| 604 | G | 92.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S614 R715 T716 | G604-S614 CarbonylContact C-O 3.46Å; G604-S614 VanDerWaalsContact CA-O 3.31Å; G604-S614 WeakPolarHBondContact CA-O 3.43Å; G604-R715 CarbonylContact O-C 3.55Å; G604-R715 WeakPolarHBondContact O-CA 3.45Å; G604-T716 PolarHBondContact N-O 3.27Å; G604-T716 PolarHBondContact O-N 2.78Å; G604-T716 PolarHBondContact O-OG1 3.24Å |
| 605 | I | 93.6 | Very high | 92.4 | Very high | 32 Ų | 32 | 52.4 Ų | 52.4 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 118.3 | 174.8 | -57.3 | 174.9 | 0 | 0 | 0 | 108.8 | I613 S614 L696 Y702 A713 E714 R715 | I605-I613 CarbonylContact O-C 3.57Å; I605-I613 WeakPolarHBondContact O-CA 3.5Å; I605-S614 PolarHBondContact N-O 2.89Å; I605-S614 PolarHBondContact O-N 3.38Å; I605-L696 HydrophobicContact CD1-CD1 4.45Å; I605-L696 HydrophobicContact CG2-CD1 4.27Å; I605-Y702 HydrophobicContact CD1-CD2 4.17Å; I605-Y702 HydrophobicContact CD1-CE2 4.21Å; I605-Y702 HydrophobicContact CG2-CD1 3.8Å; I605-Y702 HydrophobicContact CG2-CD2 3.87Å; I605-Y702 HydrophobicContact CG2-CE1 4.06Å; I605-Y702 HydrophobicContact CG2-CE2 4.15Å; I605-Y702 HydrophobicContact CG2-CG 3.7Å; I605-A713 HydrophobicContact CG2-CB 3.73Å; I605-E714 CarbonylContact C-O 3.56Å; I605-E714 WeakPolarHBondContact CA-O 3.41Å; I605-R715 HydrophobicContact CG1-CB 4.45Å; I605-R715 HydrophobicContact CG1-CG 4.32Å |
| 606 | R | 93.3 | Very high | 92.4 | Very high | 103 Ų | 103 | 54.4 Ų | 54.4 | 39% | 0.389 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 113 | 177.3 | 176.7 | 173.8 | 14.2 | 171.1 | -6 | 110 | M608 S612 I613 A713 E714 | R606-M608 PolarHBondContact O-N 2.81Å; R606-S612 WeakPolarHBondContact CA-O 3.24Å; R606-I613 HydrophobicContact CB-CG1 4.17Å; R606-I613 HydrophobicContact CG-CG1 4.15Å; R606-A713 CarbonylContact O-C 3.53Å; R606-A713 WeakPolarHBondContact O-CA 3.48Å; R606-A713 WeakPolarHBondContact O-CB 3.47Å; R606-E714 IonicContact CZ-OE2 3.53Å; R606-E714 PolarHBondContact N-O 2.82Å; R606-E714 IonicContact NE-OE2 3.16Å; R606-E714 PolarHBondContact NE-OE2 3.48Å; R606-E714 IonicContact NH1-OE2 2.64Å; R606-E714 IonicContact NH2-OE2 3.19Å; R606-E714 PolarHBondContact NH2-OE2 3.21Å; R606-E714 PolarHBondContact O-N 2.8Å |
| 607 | C | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 125.8 | 172.1 | 177 | 0 | 0 | 0 | 0 | 109.9 | Q609 N611 S612 C704 | C607-Q609 VanDerWaalsContact C-N 3.28Å; C607-Q609 PolarHBondContact O-N 2.86Å; C607-N611 WeakPolarHBondContact O-CA 3.4Å; C607-N611 PolarHBondContact O-N 2.79Å; C607-S612 PolarHBondContact N-O 2.96Å; C607-C704 HydrophobicContact CB-CB 4.27Å |
| 608 | M | 92.5 | Very high | 92.2 | Very high | 92 Ų | 92 | 62 Ų | 62 | 45% | 0.453 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.6 | -178.1 | -62.9 | -170.9 | 75.4 | 0 | 0 | 113.1 | R606 R712 | R606-M608 PolarHBondContact O-N 2.81Å; M608-R712 WeakPolarHBondContact CB-O 3.25Å; M608-R712 PolarHBondContact N-O 3.36Å; M608-R712 HydrophobicContact SD-CG 3.81Å |
| 609 | Q | 89.5 | Confident | 92.2 | Very high | 139 Ų | 139 | 66.4 Ų | 66.4 | 65% | 0.65 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -44.4 | 178.9 | -175.3 | 61 | 23.3 | 0 | 0 | 112.9 | C607 Q711 | C607-Q609 VanDerWaalsContact C-N 3.28Å; C607-Q609 PolarHBondContact O-N 2.86Å; Q609-Q711 HydrophobicContact CB-CG 4.43Å; Q609-Q711 VanDerWaalsContact CB-OE1 3.3Å |
| 610 | C | 90.4 | Very high | 92.3 | Very high | 52 Ų | 52 | 67.2 Ų | 67.2 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 0.8 | -176.5 | 71 | 0 | 0 | 0 | 0 | 114.3 | S612 C707 | C610-S612 PolarHBondContact O-N 2.82Å; C610-S612 VanDerWaalsContact SG-CB 3.57Å; C610-S612 PolarHBondContact SG-OG 2.77Å; C610-C707 VanDerWaalsContact CB-SG 3.6Å |
| 611 | N | 90.8 | Very high | 92.3 | Very high | 113 Ų | 113 | 65.8 Ų | 65.8 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | trans | 56.2 | 18.3 | -177 | -65.7 | -47.2 | 0 | 0 | 0 | 114.8 | C607 I613 | C607-N611 WeakPolarHBondContact O-CA 3.4Å; C607-N611 PolarHBondContact O-N 2.79Å; N611-I613 PolarHBondContact O-N 3.14Å | ||
| 612 | S | 90.1 | Very high | 92.4 | Very high | 12 Ų | 12 | 66.2 Ų | 66.2 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | trans | -70.2 | 131.5 | 173.6 | 70.5 | 0 | 0 | 0 | 0 | 110.5 | R606 C607 C610 | R606-S612 WeakPolarHBondContact CA-O 3.24Å; C607-S612 PolarHBondContact N-O 2.96Å; C610-S612 PolarHBondContact O-N 2.82Å; C610-S612 VanDerWaalsContact SG-CB 3.57Å; C610-S612 PolarHBondContact SG-OG 2.77Å | ||
| 613 | I | 90.3 | Very high | 92.4 | Very high | 105 Ų | 105 | 64.8 Ų | 64.8 | 54% | 0.538 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.7 | 176.5 | -53.1 | 176.1 | 0 | 0 | 0 | 108.3 | I605 R606 N611 E615 | I605-I613 CarbonylContact O-C 3.57Å; I605-I613 WeakPolarHBondContact O-CA 3.5Å; R606-I613 HydrophobicContact CB-CG1 4.17Å; R606-I613 HydrophobicContact CG-CG1 4.15Å; N611-I613 PolarHBondContact O-N 3.14Å; I613-E615 HydrophobicContact CG2-CG 3.8Å |
| 614 | S | 89.8 | Confident | 92.5 | Very high | 57 Ų | 57 | 66 Ų | 66 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122 | 167.9 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | G604 I605 | G604-S614 CarbonylContact C-O 3.46Å; G604-S614 VanDerWaalsContact CA-O 3.31Å; G604-S614 WeakPolarHBondContact CA-O 3.43Å; I605-S614 PolarHBondContact N-O 2.89Å; I605-S614 PolarHBondContact O-N 3.38Å |
| 615 | E | 92.6 | Very high | 92.7 | Very high | 135 Ų | 135 | 66 Ų | 66 | 63% | 0.631 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 135.8 | 178.6 | -64.1 | -173.2 | 152.6 | 0 | 0 | 109.9 | I602 T603 I613 | I602-E615 HydrophobicContact CG2-CB 4.03Å; I602-E615 HydrophobicContact CG2-CG 4.35Å; T603-E615 WeakPolarHBondContact O-CA 3.46Å; I613-E615 HydrophobicContact CG2-CG 3.8Å |
| 616 | K | 92.3 | Very high | 92.6 | Very high | 126 Ų | 126 | 66.3 Ų | 66.3 | 55% | 0.548 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 125.3 | 175.3 | -171.3 | -175.3 | 178.3 | -158.1 | 0 | 109.5 | I602 T603 E618 | I602-K616 WeakPolarHBondContact CA-O 3.19Å; T603-K616 PolarHBondContact N-O 2.83Å; T603-K616 PolarHBondContact O-N 3.41Å; K616-E618 HydrophobicContact CD-CG 4.23Å; K616-E618 WeakPolarHBondContact CD-OE1 3.07Å; K616-E618 WeakPolarHBondContact CE-OE1 3.1Å; K616-E618 HydrophobicContact CG-CG 4.2Å; K616-E618 IonicContact NZ-OE1 2.89Å; K616-E618 PolarHBondContact NZ-OE1 2.87Å |
| 617 | E | 93.8 | Very high | 92.5 | Very high | 103 Ų | 103 | 62.6 Ų | 62.6 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130.1 | 173.9 | -170.9 | -177.4 | 135.4 | 0 | 0 | 110.1 | K600 L601 I602 | K600-E617 HydrophobicContact CB-CG 4.5Å; K600-E617 WeakPolarHBondContact CD-OE1 3.5Å; K600-E617 VanDerWaalsContact CE-OE1 3.24Å; K600-E617 WeakPolarHBondContact CE-OE1 3.19Å; K600-E617 IonicContact NZ-OE1 3.31Å; K600-E617 PolarHBondContact NZ-OE1 2.92Å; L601-E617 CarbonylContact O-C 3.44Å; L601-E617 WeakPolarHBondContact O-CA 3.44Å; I602-E617 HydrophobicContact CG1-CB 4.3Å; I602-E617 HydrophobicContact CG1-CG 4.27Å |
| 618 | E | 91.5 | Very high | 92 | Very high | 73 Ų | 73 | 66.3 Ų | 66.3 | 34% | 0.341 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 131.6 | -178.5 | -63.6 | -177.7 | 150.3 | 0 | 0 | 110.4 | L601 K616 | L601-E618 PolarHBondContact N-O 3.3Å; L601-E618 PolarHBondContact O-N 2.77Å; K616-E618 HydrophobicContact CD-CG 4.23Å; K616-E618 WeakPolarHBondContact CD-OE1 3.07Å; K616-E618 WeakPolarHBondContact CE-OE1 3.1Å; K616-E618 HydrophobicContact CG-CG 4.2Å; K616-E618 IonicContact NZ-OE1 2.89Å; K616-E618 PolarHBondContact NZ-OE1 2.87Å |
| 619 | P | 93.4 | Very high | 91 | Very high | 112 Ų | 112 | 66.6 Ų | 66.6 | 73% | 0.727 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 153.5 | 173.9 | 32.2 | -34.2 | 0 | 0 | 0 | 111.3 | G599 | G599-P619 WeakPolarHBondContact O-CA 3.46Å |
| 620 | F | 94.7 | Very high | 89.1 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 8% | 0.083 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 153.7 | 172.7 | 72.5 | -90.8 | 0 | 0 | 0 | 111.8 | G599 K600 L601 L623 V719 P723 L726 | G599-F620 VanDerWaalsContact CA-CE1 3.48Å; G599-F620 PolarHBondContact N-O 3.04Å; G599-F620 PolarHBondContact O-N 2.85Å; K600-F620 VanDerWaalsContact N-CE1 3.31Å; L601-F620 HydrophobicContact CB-CD1 4.46Å; L601-F620 HydrophobicContact CD1-CB 4.27Å; L601-F620 HydrophobicContact CD1-CD1 3.62Å; L601-F620 HydrophobicContact CD1-CE1 4.18Å; L601-F620 HydrophobicContact CD1-CG 4.1Å; L601-F620 HydrophobicContact CD2-CE1 4.45Å; L601-F620 HydrophobicContact CG-CD1 3.58Å; L601-F620 HydrophobicContact CG-CE1 3.78Å; F620-L623 HydrophobicContact CD1-CD2 4.3Å; F620-L623 HydrophobicContact CD2-CD2 3.57Å; F620-L623 HydrophobicContact CD2-CG 4.07Å; F620-L623 HydrophobicContact CE1-CD2 4.33Å; F620-L623 HydrophobicContact CE2-CD1 4.42Å; F620-L623 HydrophobicContact CE2-CD2 3.64Å; F620-L623 HydrophobicContact CE2-CG 3.84Å; F620-L623 HydrophobicContact CG-CD2 3.92Å; F620-L623 HydrophobicContact CZ-CD2 4.02Å; F620-L623 HydrophobicContact CZ-CG 4.43Å; F620-V719 HydrophobicContact CE1-CG1 4.44Å; F620-V719 HydrophobicContact CZ-CG1 4.49Å; F620-P723 HydrophobicContact CE2-CG 4.27Å; F620-L726 HydrophobicContact CE2-CD1 4.18Å |
| 621 | T | 93.5 | Very high | 86.4 | Confident | 43 Ų | 43 | 68.5 Ų | 68.5 | 26% | 0.264 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -113.5 | -27.9 | 171.4 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | I593 F597 | I593-T621 HydrophobicContact CG2-CG2 4.41Å; F597-T621 WeakPolarHBondContact O-CA 3.31Å |
| 622 | D | 95.1 | Very high | 83.6 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 158.7 | 169.4 | 77.7 | -53 | 0 | 0 | 0 | 111.7 | R530 I727 T729 | R530-D622 WeakPolarHBondContact CD-OD1 3.09Å; D622-I727 CarbonylContact C-O 3.56Å; D622-I727 VanDerWaalsContact CA-O 3.31Å; D622-I727 WeakPolarHBondContact CA-O 3.48Å; D622-I727 HydrophobicContact CB-CB 3.88Å; D622-I727 HydrophobicContact CB-CG2 3.7Å; D622-T729 PolarHBondContact OD2-OG1 3.36Å |
| 623 | L | 95.5 | Very high | 80.8 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.016 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 117.3 | 168 | -58.6 | -179.7 | 0 | 0 | 0 | 109.2 | L601 F620 L625 F690 L726 I727 L728 T729 | L601-L623 HydrophobicContact CD1-CD2 3.96Å; F620-L623 HydrophobicContact CD1-CD2 4.3Å; F620-L623 HydrophobicContact CD2-CD2 3.57Å; F620-L623 HydrophobicContact CD2-CG 4.07Å; F620-L623 HydrophobicContact CE1-CD2 4.33Å; F620-L623 HydrophobicContact CE2-CD1 4.42Å; F620-L623 HydrophobicContact CE2-CD2 3.64Å; F620-L623 HydrophobicContact CE2-CG 3.84Å; F620-L623 HydrophobicContact CG-CD2 3.92Å; F620-L623 HydrophobicContact CZ-CD2 4.02Å; F620-L623 HydrophobicContact CZ-CG 4.43Å; L623-L625 HydrophobicContact CB-CD2 4.13Å; L623-L625 PolarHBondContact O-N 3.47Å; L623-F690 HydrophobicContact CD2-CE1 4.05Å; L623-F690 HydrophobicContact CD2-CZ 4.28Å; L623-L726 HydrophobicContact CD1-CD1 4.02Å; L623-L726 HydrophobicContact CG-CD1 4.3Å; L623-I727 PolarHBondContact N-O 3.44Å; L623-L728 HydrophobicContact CB-CD2 3.84Å; L623-L728 HydrophobicContact CD1-CD2 4Å; L623-L728 HydrophobicContact CG-CD2 4.26Å; L623-T729 PolarHBondContact O-N 2.84Å |
| 624 | S | 95.2 | Very high | 77.8 | Confident | 42 Ų | 42 | 77.5 Ų | 77.5 | 29% | 0.294 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 101.1 | 177.2 | -75.6 | 0 | 0 | 0 | 0 | 110.4 | F690 T729 | S624-F690 WeakPolarHBondContact O-CD2 3.39Å; S624-T729 CarbonylContact C-O 3.5Å |
| 625 | L | 95.8 | Very high | 74.8 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 109.6 | -172.7 | -57.3 | -173.6 | 0 | 0 | 0 | 111 | L623 V683 L686 V687 F690 L728 T729 L730 L731 | L623-L625 HydrophobicContact CB-CD2 4.13Å; L623-L625 PolarHBondContact O-N 3.47Å; L625-V683 HydrophobicContact CD1-CG1 4.46Å; L625-L686 HydrophobicContact CB-CB 4.11Å; L625-L686 HydrophobicContact CD1-CB 4.02Å; L625-V687 HydrophobicContact CD1-CG2 3.78Å; L625-V687 HydrophobicContact CD2-CG2 4.18Å; L625-F690 HydrophobicContact CD2-CB 3.9Å; L625-F690 HydrophobicContact CD2-CD2 4.38Å; L625-F690 HydrophobicContact CD2-CG 4.13Å; L625-L728 HydrophobicContact CD1-CB 4.08Å; L625-L728 HydrophobicContact CD1-CD1 4.21Å; L625-L728 HydrophobicContact CD1-CD2 4.28Å; L625-L728 HydrophobicContact CD1-CG 4.43Å; L625-T729 PolarHBondContact N-O 3.24Å; L625-L730 HydrophobicContact CB-CD2 4.11Å; L625-L730 HydrophobicContact CD1-CD2 3.88Å; L625-L730 HydrophobicContact CG-CD2 4.45Å; L625-L731 PolarHBondContact O-N 2.97Å |
| 626 | A | 91.8 | Very high | 71.5 | Confident | 39 Ų | 39 | 77.5 Ų | 77.5 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 147.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L686 Y689 L731 | A626-L686 WeakPolarHBondContact O-CD2 3.34Å; A626-Y689 HydrophobicContact CB-CE1 4.31Å; A626-Y689 WeakPolarHBondContact O-CD1 3.36Å; A626-L731 HydrophobicContact CB-CD1 4.37Å |
| 627 | F | 91 | Very high | 69.1 | Low | 26 Ų | 26 | 77 Ų | 77 | 11% | 0.114 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 140.4 | 171.4 | -73.2 | -107.2 | 0 | 0 | 0 | 109.7 | L681 L730 L731 R732 I745 D747 V749 | F627-L681 HydrophobicContact CD1-CD2 3.67Å; F627-L681 HydrophobicContact CE1-CD2 3.77Å; F627-L730 HydrophobicContact CE2-CB 4.39Å; F627-L731 WeakPolarHBondContact CD2-O 3.39Å; F627-R732 HydrophobicContact CE2-CB 4.43Å; F627-R732 HydrophobicContact CE2-CG 3.63Å; F627-R732 HydrophobicContact CZ-CG 3.74Å; F627-I745 HydrophobicContact CB-CD1 4.02Å; F627-I745 HydrophobicContact CD1-CG2 3.88Å; F627-I745 HydrophobicContact CD2-CD1 3.93Å; F627-I745 HydrophobicContact CE1-CG2 3.92Å; F627-I745 HydrophobicContact CG-CD1 3.94Å; F627-I745 HydrophobicContact CG-CG2 4.23Å; F627-I745 HydrophobicContact CZ-CG2 4.3Å; F627-D747 HydrophobicContact CE1-CB 4.33Å; F627-V749 HydrophobicContact CE1-CG2 3.55Å; F627-V749 HydrophobicContact CZ-CG2 3.74Å |
| 628 | C | 81.7 | Confident | 65.8 | Low | 78 Ų | 78 | 82 Ų | 82 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 134.7 | 176.6 | -165.7 | 0 | 0 | 0 | 0 | 109.6 | S630 Y689 | C628-S630 PolarHBondContact O-N 3.38Å; C628-Y689 HydrophobicContact CB-CD2 4.43Å; C628-Y689 HydrophobicContact CB-CE2 4.27Å |
| 629 | P | 72.4 | Confident | 62.8 | Low | 97 Ų | 97 | 83 Ų | 83 | 63% | 0.63 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 128.8 | 175 | 23.7 | -31.6 | 0 | 0 | 0 | 110.2 | S631 Y689 | P629-S631 PolarHBondContact O-N 2.98Å; P629-Y689 WeakPolarHBondContact CD-OH 3.1Å |
| 630 | S | 49.8 | Very low | 59.6 | Low | 117 Ų | 117 | 86.2 Ų | 86.2 | 82% | 0.818 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -61 | 128 | 175.9 | 36.9 | 0 | 0 | 0 | 0 | 110 | C628 S632 | C628-S630 PolarHBondContact O-N 3.38Å; S630-S632 PolarHBondContact O-N 3.02Å |
| 631 | S | 34.5 | Very low | 56.3 | Low | 115 Ų | 115 | 96.2 Ų | 96.2 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | trans | -64 | 94.4 | -176.8 | 48.5 | 0 | 0 | 0 | 0 | 110.9 | P629 S633 | P629-S631 PolarHBondContact O-N 2.98Å; S631-S633 VanDerWaalsContact C-N 3.31Å; S631-S633 PolarHBondContact O-N 2.92Å | ||
| 632 | S | 30.9 | Very low | 53.7 | Low | 105 Ų | 105 | 99 Ų | 99 | 73% | 0.734 | 59% | 0.594 | S | S | * | * | trans | -67.2 | 94.1 | 160.8 | 56.9 | 0 | 0 | 0 | 0 | 108.2 | S630 Q634 | S630-S632 PolarHBondContact O-N 3.02Å; S632-Q634 PolarHBondContact O-N 2.87Å | ||
| 633 | S | 30.9 | Very low | 50.3 | Low | 110 Ų | 110 | 104 Ų | 104 | 77% | 0.769 | 63% | 0.627 | S | S | * | * | trans | 38 | 83 | 152.4 | 40.4 | 0 | 0 | 0 | 0 | 116.6 | S631 G635 | S631-S633 VanDerWaalsContact C-N 3.31Å; S631-S633 PolarHBondContact O-N 2.92Å; S633-G635 PolarHBondContact O-N 3.23Å; S633-G635 VanDerWaalsContact O-N 3.13Å | ||
| 634 | Q | 28.5 | Very low | 47.1 | Very low | 204 Ų | 204 | 112.2 Ų | 112.2 | 95% | 0.953 | 67% | 0.665 | S | S | * | * | trans | -73 | 93.2 | 152.9 | -82.7 | -161 | -10.4 | 0 | 0 | 109.2 | S632 | S632-Q634 PolarHBondContact O-N 2.87Š| ||
| 635 | G | 25.7 | Very low | 43.8 | Very low | 75 Ų | 75 | 119.4 Ų | 119.4 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | trans | -79.8 | 127.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S633 | S633-G635 PolarHBondContact O-N 3.23Å; S633-G635 VanDerWaalsContact O-N 3.13Å | ||
| 636 | S | 23 | Very low | 40.5 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -99.1 | 171.8 | 166.4 | 65.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 637 | P | 41.9 | Very low | 37.3 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | -110.7 | 152.7 | -89.7 | 34.6 | -21.5 | 0 | 0 | 0 | 112.8 | |||||
| 638 | K | 25.9 | Very low | 34.2 | Very low | 209 Ų | 209 | 136.9 Ų | 136.9 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -164 | 118.9 | 156.2 | -110.3 | 165.7 | -170.1 | -176.9 | 0 | 114.7 | ||||
| 639 | A | 27 | Very low | 31.5 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 44.7 | 109.2 | 142.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 640 | E | 26.8 | Very low | 29.2 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | 51.2 | 105.2 | 132.8 | -64 | -172.5 | 153.9 | 0 | 0 | 123.7 | ||||
| 641 | R | 25.6 | Very low | 28 | Very low | 229 Ų | 229 | 143 Ų | 143 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | 63.4 | 161.9 | 124.4 | -76.4 | -165.9 | -175.9 | -172.1 | 3.2 | 122 | |||||
| 642 | P | 37.9 | Very low | 27.5 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 66% | 0.656 | 81% | 0.812 | S | S | * | * | cis | -140.5 | 157.1 | -44.9 | 38.8 | -22.2 | 0 | 0 | 0 | 113.6 | ||||
| 643 | T | 24.9 | Very low | 27.3 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 172.1 | 109.3 | 148.9 | 26.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 644 | E | 27.3 | Very low | 27 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | 106.6 | 104.6 | 85.7 | -99 | -170.5 | -179.7 | 0 | 0 | 111.6 | |||||
| 645 | E | 26 | Very low | 26.8 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | 50.2 | 129.1 | 146.6 | -57.8 | -167.2 | 160.3 | 0 | 0 | 123.6 | ||||
| 646 | G | 27.2 | Very low | 26.8 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | 165.6 | 66.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V648 | G646-V648 PolarHBondContact O-N 3.36Š| ||
| 647 | K | 24.6 | Very low | 26.8 | Very low | 214 Ų | 214 | 140.6 Ų | 140.6 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -64.5 | 123.2 | 170.2 | -87.6 | 179.1 | 171.5 | 179.8 | 0 | 110.7 | ||||
| 648 | V | 26 | Very low | 26 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | trans | -140 | 124 | 146.5 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | G646 | G646-V648 PolarHBondContact O-N 3.36Š| ||
| 649 | L | 23.9 | Very low | 26 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 69% | 0.686 | 83% | 0.826 | S | S | * | * | trans | -81.4 | 141.4 | 179.5 | -148.4 | 84.9 | 0 | 0 | 0 | 109.5 | ||||
| 650 | C | 24.5 | Very low | 25.8 | Very low | 127 Ų | 127 | 140 Ų | 140 | 86% | 0.858 | 83% | 0.827 | S | S | * | * | trans | -133.5 | 101.7 | 167.3 | -75.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 651 | Q | 26 | Very low | 26.1 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | trans | -95.6 | 138.4 | 153.7 | -89.1 | 176.2 | -22 | 0 | 0 | 108.4 | ||||
| 652 | G | 23.4 | Very low | 26.1 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | -78 | 154.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 653 | S | 25.5 | Very low | 25.3 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | trans | -165 | 133.7 | 144.3 | -137.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 654 | V | 25.8 | Very low | 25.3 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 84% | 0.842 | 83% | 0.83 | S | S | * | * | trans | -98.1 | 126.6 | -175 | -131.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 655 | N | 24.8 | Very low | 25.2 | Very low | 172 Ų | 172 | 134 Ų | 134 | 92% | 0.92 | 83% | 0.827 | S | S | * | * | trans | -164.7 | 126.1 | 151.6 | -100.6 | -23.6 | 0 | 0 | 0 | 111.4 | ||||
| 656 | G | 24.2 | Very low | 25.2 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | 75 | 105.3 | 143 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 657 | G | 23.6 | Very low | 25.1 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | 71.7 | 120.8 | 122.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 658 | S | 26 | Very low | 25 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | 119 | 116.8 | 134.7 | -64.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 659 | E | 24.4 | Very low | 25 | Very low | 187 Ų | 187 | 130 Ų | 130 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | 56.9 | 112.6 | 139.8 | -57.6 | -170.5 | 162.6 | 0 | 0 | 124.9 | ||||
| 660 | A | 23.6 | Very low | 25.1 | Very low | 97 Ų | 97 | 130 Ų | 130 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | 40.3 | 162.8 | 132.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 661 | P | 32.4 | Very low | 25.1 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | cis | -133 | -177.7 | 6.8 | 37.7 | -16 | 0 | 0 | 0 | 116.9 | ||||
| 662 | E | 25.2 | Very low | 25 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | trans | -36.4 | 149.8 | -176.9 | -55.2 | 176.4 | 160.1 | 0 | 0 | 121.2 | ||||
| 663 | T | 22.4 | Very low | 25.2 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 91% | 0.914 | 83% | 0.826 | S | S | * | * | -171.7 | 167.4 | 122.8 | 21.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 664 | S | 23.9 | Very low | 25.5 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 64% | 0.643 | 82% | 0.816 | S | S | * | * | trans | -99.2 | 165.5 | -145 | 51.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 665 | N | 25.8 | Very low | 25.9 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | 112.6 | 116.2 | 137.1 | -71.1 | -24 | 0 | 0 | 0 | 121.4 | ||||
| 666 | L | 24.8 | Very low | 26.3 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | 77.2 | 106.5 | 130.1 | -116.1 | 73 | 0 | 0 | 0 | 122.9 | ||||
| 667 | A | 25.2 | Very low | 26.8 | Very low | 80 Ų | 80 | 139.9 Ų | 139.9 | 66% | 0.661 | 81% | 0.805 | S | S | * | * | 52.4 | 124.1 | 125.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 668 | T | 23.4 | Very low | 27.9 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | -175.5 | 138.6 | 100.2 | 15 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 669 | N | 26.7 | Very low | 29.7 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -61.6 | 141.9 | 167.5 | -96.7 | -19.8 | 0 | 0 | 0 | 112 | ||||
| 670 | V | 25.2 | Very low | 32.2 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | -155 | 122.1 | 128.2 | 178.7 | 0 | 0 | 0 | 0 | 109 | Y672 | V670-Y672 HydrophobicContact CG1-CD2 4.3Š| |||
| 671 | Q | 24.8 | Very low | 35.4 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -76.9 | 135.7 | 162.9 | -82.9 | 172.6 | -41.9 | 0 | 0 | 110.1 | ||||
| 672 | Y | 24.4 | Very low | 38.2 | Very low | 219 Ų | 219 | 131.3 Ų | 131.3 | 86% | 0.859 | 72% | 0.724 | S | S | * | * | trans | -144.5 | 114 | 154.8 | -118.1 | -90 | 0 | 0 | 0 | 107.9 | V670 | V670-Y672 HydrophobicContact CG1-CD2 4.3Š| ||
| 673 | E | 27.2 | Very low | 41.4 | Very low | 178 Ų | 178 | 122.8 Ų | 122.8 | 83% | 0.832 | 68% | 0.684 | S | S | * | * | trans | -84 | 135.7 | 162.1 | -78.9 | -147.8 | 164.1 | 0 | 0 | 109.6 | ||||
| 674 | P | 30.7 | Very low | 44.8 | Very low | 106 Ų | 106 | 117.7 Ų | 117.7 | 69% | 0.688 | 65% | 0.654 | S | S | * | * | trans | -104.4 | 123.1 | 155 | 30.5 | -17.2 | 0 | 0 | 0 | 110.2 | T676 | P674-T676 PolarHBondContact O-N 2.91Š| ||
| 675 | V | 34.8 | Very low | 48.1 | Very low | 129 Ų | 129 | 116.8 Ų | 116.8 | 78% | 0.782 | 64% | 0.642 | S | S | * | * | trans | -64.4 | 118.9 | 162.9 | 175.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 676 | T | 32.6 | Very low | 51.4 | Low | 111 Ų | 111 | 110.1 Ų | 110.1 | 68% | 0.681 | 61% | 0.606 | S | S | * | * | trans | -115.9 | 120 | 170.1 | 51.2 | 0 | 0 | 0 | 0 | 110.6 | P674 E678 | P674-T676 PolarHBondContact O-N 2.91Å; T676-E678 PolarHBondContact O-N 3.49Å | ||
| 677 | N | 35.2 | Very low | 54.6 | Low | 166 Ų | 166 | 102.7 Ų | 102.7 | 89% | 0.888 | 57% | 0.567 | S | S | * | * | trans | -71 | 66.6 | 174 | -72.5 | -39.8 | 0 | 0 | 0 | 111.7 | ||||
| 678 | E | 47.9 | Very low | 57.8 | Low | 157 Ų | 157 | 103.4 Ų | 103.4 | 73% | 0.734 | 56% | 0.56 | S | S | * | * | trans | -107.3 | 145.5 | 167.1 | -70.4 | -154.2 | 162.6 | 0 | 0 | 110.9 | T676 | T676-E678 PolarHBondContact O-N 3.49Š| ||
| 679 | P | 63.2 | Low | 61.1 | Low | 115 Ų | 115 | 101.2 Ų | 101.2 | 75% | 0.747 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 141.8 | 175.7 | 25 | -32.5 | 0 | 0 | 0 | 110.3 | L681 | P679-L681 PolarHBondContact O-N 2.87Š|
| 680 | P | 77.1 | Confident | 64.2 | Low | 83 Ų | 83 | 96.1 Ų | 96.1 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 130.7 | -177.1 | 24.5 | -33.8 | 0 | 0 | 0 | 111.4 | S682 I750 | P680-S682 PolarHBondContact O-N 3.18Å; P680-I750 HydrophobicContact CB-CD1 3.68Å; P680-I750 HydrophobicContact CB-CG1 4.33Å; P680-I750 HydrophobicContact CG-CD1 3.43Å; P680-I750 VanDerWaalsContact CG-CD1 3.43Å |
| 681 | L | 89.5 | Confident | 67.4 | Low | 54 Ų | 54 | 91.2 Ų | 91.2 | 28% | 0.283 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -54 | 132.5 | -179.9 | -176.3 | 64.6 | 0 | 0 | 0 | 111.5 | F627 P679 D685 L686 V749 I750 | F627-L681 HydrophobicContact CD1-CD2 3.67Å; F627-L681 HydrophobicContact CE1-CD2 3.77Å; P679-L681 PolarHBondContact O-N 2.87Å; L681-D685 HydrophobicContact CD1-CB 4.09Å; L681-L686 HydrophobicContact CD1-CD2 4.03Å; L681-L686 HydrophobicContact CD1-CG 4.41Å; L681-L686 HydrophobicContact CD2-CD2 4.15Å; L681-L686 HydrophobicContact CG-CD2 4.32Å; L681-V749 HydrophobicContact CD2-CG2 4.02Å; L681-V749 HydrophobicContact CG-CG2 4.33Å; L681-V749 CarbonylContact O-C 3.47Å; L681-V749 VanDerWaalsContact O-CA 3.3Å; L681-V749 WeakPolarHBondContact O-CA 3.33Å; L681-I750 PolarHBondContact O-N 2.61Å |
| 682 | S | 92.5 | Very high | 70.5 | Confident | 20 Ų | 20 | 84.4 Ų | 84.4 | 14% | 0.14 | 45% | 0.452 | C | S | . | . | B | Isolated β-bridge | trans | -123.6 | 160.5 | -178.5 | 77.4 | 0 | 0 | 0 | 0 | 113.2 | P680 P684 D685 L686 | P680-S682 PolarHBondContact O-N 3.18Å; S682-P684 WeakPolarHBondContact OG-CD 3.41Å; S682-D685 WeakPolarHBondContact CB-OD2 3.33Å; S682-D685 PolarHBondContact N-OD2 2.78Å; S682-D685 WeakPolarHBondContact O-CB 3.36Å; S682-D685 PolarHBondContact O-N 3.4Å; S682-D685 PolarHBondContact OG-N 2.87Å; S682-D685 PolarHBondContact OG-OD2 3.31Å; S682-L686 PolarHBondContact O-N 3.32Å |
| 683 | V | 93.1 | Very high | 73.7 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -56.2 | -43.3 | 174.8 | 173.6 | 0 | 0 | 0 | 0 | 112.3 | L625 D685 L686 V687 L728 V749 I750 I751 L928 | L625-V683 HydrophobicContact CD1-CG1 4.46Å; V683-D685 VanDerWaalsContact C-N 3.28Å; V683-D685 PolarHBondContact O-N 3.4Å; V683-L686 PolarHBondContact O-N 3.14Å; V683-V687 HydrophobicContact CG1-CG2 4.39Å; V683-V687 WeakPolarHBondContact O-CG2 3.39Å; V683-V687 PolarHBondContact O-N 3.06Å; V683-L728 HydrophobicContact CG1-CD1 3.63Å; V683-V749 HydrophobicContact CG2-CG1 3.85Å; V683-I750 PolarHBondContact N-O 3.4Å; V683-I751 HydrophobicContact CG2-CB 4.49Å; V683-I751 HydrophobicContact CG2-CG1 4.14Å; V683-L928 HydrophobicContact CG1-CD1 4.22Å; V683-L928 HydrophobicContact CG2-CD1 3.57Å |
| 684 | P | 93.5 | Very high | 76.8 | Confident | 42 Ų | 42 | 73.9 Ų | 73.9 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -54.4 | -39.8 | 171.4 | -28.7 | 34.8 | 0 | 0 | 0 | 114.3 | S682 L686 V687 N688 P752 L755 | S682-P684 WeakPolarHBondContact OG-CD 3.41Å; P684-L686 VanDerWaalsContact C-N 3.34Å; P684-L686 PolarHBondContact O-N 2.77Å; P684-V687 PolarHBondContact O-N 3.19Å; P684-N688 WeakPolarHBondContact O-CB 3.31Å; P684-N688 PolarHBondContact O-N 3.5Å; P684-N688 PolarHBondContact O-ND2 3.44Å; P684-P752 HydrophobicContact CG-CG 4.09Å; P684-L755 HydrophobicContact CG-CD1 3.94Å |
| 685 | D | 92.9 | Very high | 79.7 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 39% | 0.39 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 178.4 | -56.1 | -42.9 | 0 | 0 | 0 | 111.2 | L681 S682 V683 N688 Y689 | L681-D685 HydrophobicContact CD1-CB 4.09Å; S682-D685 WeakPolarHBondContact CB-OD2 3.33Å; S682-D685 PolarHBondContact N-OD2 2.78Å; S682-D685 WeakPolarHBondContact O-CB 3.36Å; S682-D685 PolarHBondContact O-N 3.4Å; S682-D685 PolarHBondContact OG-N 2.87Å; S682-D685 PolarHBondContact OG-OD2 3.31Å; V683-D685 VanDerWaalsContact C-N 3.28Å; V683-D685 PolarHBondContact O-N 3.4Å; D685-N688 PolarHBondContact O-N 2.75Å; D685-Y689 VanDerWaalsContact O-CB 3.32Å; D685-Y689 WeakPolarHBondContact O-CB 3.43Å; D685-Y689 PolarHBondContact O-N 3.49Å |
| 686 | L | 94 | Very high | 82.5 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 176.2 | -63.8 | 180 | 0 | 0 | 0 | 112.7 | L625 A626 L681 S682 V683 P684 F690 L730 V749 | L625-L686 HydrophobicContact CB-CB 4.11Å; L625-L686 HydrophobicContact CD1-CB 4.02Å; A626-L686 WeakPolarHBondContact O-CD2 3.34Å; L681-L686 HydrophobicContact CD1-CD2 4.03Å; L681-L686 HydrophobicContact CD1-CG 4.41Å; L681-L686 HydrophobicContact CD2-CD2 4.15Å; L681-L686 HydrophobicContact CG-CD2 4.32Å; S682-L686 PolarHBondContact O-N 3.32Å; V683-L686 PolarHBondContact O-N 3.14Å; P684-L686 VanDerWaalsContact C-N 3.34Å; P684-L686 PolarHBondContact O-N 2.77Å; L686-F690 WeakPolarHBondContact O-CB 3.31Å; L686-F690 PolarHBondContact O-N 2.93Å; L686-L730 HydrophobicContact CD1-CD2 3.87Å; L686-V749 HydrophobicContact CD1-CG1 3.88Å; L686-V749 HydrophobicContact CD1-CG2 4.24Å |
| 687 | V | 93 | Very high | 85.2 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 174.1 | 172.6 | 0 | 0 | 0 | 0 | 111 | L625 V683 P684 Y689 F690 L691 L728 L757 | L625-V687 HydrophobicContact CD1-CG2 3.78Å; L625-V687 HydrophobicContact CD2-CG2 4.18Å; V683-V687 HydrophobicContact CG1-CG2 4.39Å; V683-V687 WeakPolarHBondContact O-CG2 3.39Å; V683-V687 PolarHBondContact O-N 3.06Å; P684-V687 PolarHBondContact O-N 3.19Å; V687-Y689 VanDerWaalsContact C-N 3.34Å; V687-F690 WeakPolarHBondContact O-CB 3.32Å; V687-F690 PolarHBondContact O-N 3.26Å; V687-L691 HydrophobicContact CG1-CD1 4.21Å; V687-L691 WeakPolarHBondContact O-CG 3.41Å; V687-L691 PolarHBondContact O-N 3.48Å; V687-L728 HydrophobicContact CG2-CD1 4.4Å; V687-L757 HydrophobicContact CG1-CD1 4.07Å |
| 688 | N | 91.6 | Very high | 87.8 | Confident | 95 Ų | 95 | 65.3 Ų | 65.3 | 51% | 0.508 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 176.6 | -71 | -27.4 | 0 | 0 | 0 | 111.4 | P684 D685 L691 A692 | P684-N688 WeakPolarHBondContact O-CB 3.31Å; P684-N688 PolarHBondContact O-N 3.5Å; P684-N688 PolarHBondContact O-ND2 3.44Å; D685-N688 PolarHBondContact O-N 2.75Å; N688-L691 CarbonylContact O-C 3.51Å; N688-L691 PolarHBondContact O-N 3.5Å; N688-A692 PolarHBondContact O-N 3Å |
| 689 | Y | 92.4 | Very high | 89.7 | Confident | 100 Ų | 100 | 64.1 Ų | 64.1 | 39% | 0.392 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 174 | 178.8 | -111.9 | 0 | 0 | 0 | 111.5 | A626 C628 P629 D685 V687 L691 A692 | A626-Y689 HydrophobicContact CB-CE1 4.31Å; A626-Y689 WeakPolarHBondContact O-CD1 3.36Å; C628-Y689 HydrophobicContact CB-CD2 4.43Å; C628-Y689 HydrophobicContact CB-CE2 4.27Å; P629-Y689 WeakPolarHBondContact CD-OH 3.1Å; D685-Y689 VanDerWaalsContact O-CB 3.32Å; D685-Y689 WeakPolarHBondContact O-CB 3.43Å; D685-Y689 PolarHBondContact O-N 3.49Å; V687-Y689 VanDerWaalsContact C-N 3.34Å; Y689-L691 VanDerWaalsContact C-N 3.27Å; Y689-L691 PolarHBondContact O-N 2.88Å; Y689-A692 WeakPolarHBondContact O-CB 3.33Å; Y689-A692 PolarHBondContact O-N 2.83Å |
| 690 | F | 92.6 | Very high | 91 | Very high | 48 Ų | 48 | 64 Ų | 64 | 21% | 0.211 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.8 | -38.3 | 174.9 | -179.2 | -92.1 | 0 | 0 | 0 | 112.3 | L601 L623 S624 L625 L686 V687 M717 | L601-F690 HydrophobicContact CD1-CE1 4.42Å; L623-F690 HydrophobicContact CD2-CE1 4.05Å; L623-F690 HydrophobicContact CD2-CZ 4.28Å; S624-F690 WeakPolarHBondContact O-CD2 3.39Å; L625-F690 HydrophobicContact CD2-CB 3.9Å; L625-F690 HydrophobicContact CD2-CD2 4.38Å; L625-F690 HydrophobicContact CD2-CG 4.13Å; L686-F690 WeakPolarHBondContact O-CB 3.31Å; L686-F690 PolarHBondContact O-N 2.93Å; V687-F690 WeakPolarHBondContact O-CB 3.32Å; V687-F690 PolarHBondContact O-N 3.26Å; F690-M717 HydrophobicContact CD1-CE 3.81Å; F690-M717 HydrophobicContact CD2-CE 4.28Å; F690-M717 HydrophobicContact CE1-CE 3.53Å; F690-M717 HydrophobicContact CE2-CE 4.04Å; F690-M717 HydrophobicContact CG-CE 4.17Å; F690-M717 HydrophobicContact CZ-CE 3.66Å; F690-M717 WeakPolarHBondContact O-CE 3.5Å |
| 691 | L | 92.4 | Very high | 91.6 | Very high | 28 Ų | 28 | 61.1 Ų | 61.1 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 0.5 | -179.5 | -62.6 | 175.1 | 0 | 0 | 0 | 114.2 | L601 V687 N688 Y689 M717 V719 P758 | L601-L691 HydrophobicContact CD2-CD2 4.35Å; V687-L691 HydrophobicContact CG1-CD1 4.21Å; V687-L691 WeakPolarHBondContact O-CG 3.41Å; V687-L691 PolarHBondContact O-N 3.48Å; N688-L691 CarbonylContact O-C 3.51Å; N688-L691 PolarHBondContact O-N 3.5Å; Y689-L691 VanDerWaalsContact C-N 3.27Å; Y689-L691 PolarHBondContact O-N 2.88Å; L691-M717 HydrophobicContact CD2-CB 4.38Å; L691-V719 HydrophobicContact CD1-CG2 4.41Å; L691-V719 HydrophobicContact CD2-CG2 4.17Å; L691-P758 HydrophobicContact CD1-CG 3.7Å |
| 692 | A | 90.9 | Very high | 91.6 | Very high | 44 Ų | 44 | 60.6 Ų | 60.6 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -66.6 | 145.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N688 Y689 | N688-A692 PolarHBondContact O-N 3Å; Y689-A692 WeakPolarHBondContact O-CB 3.33Å; Y689-A692 PolarHBondContact O-N 2.83Å |
| 693 | P | 91.3 | Very high | 91.6 | Very high | 82 Ų | 82 | 64.9 Ų | 64.9 | 53% | 0.532 | 34% | 0.337 | S | S | . | . | trans | -65.6 | 138.9 | 172.6 | 28.4 | -33.8 | 0 | 0 | 0 | 110.6 | E714 R715 T716 | P693-E714 HydrophobicContact CB-CG 4.25Å; P693-R715 WeakPolarHBondContact CA-O 3.37Å; P693-T716 HydrophobicContact CB-CG2 4.12Å | ||
| 694 | E | 91.2 | Very high | 91.5 | Very high | 94 Ų | 94 | 65 Ų | 65 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.7 | -179.3 | -178.8 | -177.6 | -166.4 | 0 | 0 | 109.6 | E714 R715 | E694-E714 CarbonylContact O-C 3.53Å; E694-E714 WeakPolarHBondContact O-CA 3.26Å; E694-R715 HydrophobicContact CB-CB 4.45Å; E694-R715 PolarHBondContact N-O 2.89Å; E694-R715 PolarHBondContact O-N 2.85Å; E694-R715 IonicContact OE2-NH1 2.81Å; E694-R715 PolarHBondContact OE2-NH1 2.95Å; E694-R715 VanDerWaalsContact OE2-NH1 3.13Å |
| 695 | I | 92.8 | Very high | 91.5 | Very high | 76 Ų | 76 | 70.6 Ų | 70.6 | 39% | 0.39 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 117.6 | 175.6 | -57.8 | -60.9 | 0 | 0 | 0 | 109 | D697 R712 A713 E714 | I695-D697 HydrophobicContact CG2-CB 4.26Å; I695-R712 HydrophobicContact CG2-CG 4.1Å; I695-A713 CarbonylContact C-O 3.59Å; I695-E714 HydrophobicContact CD1-CB 4.04Å; I695-E714 HydrophobicContact CD1-CG 4.06Å |
| 696 | L | 92.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 75 Ų | 75 | 12% | 0.12 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 106.7 | 172.4 | -59 | -178 | 0 | 0 | 0 | 108.6 | I605 N700 R712 A713 R715 | I605-L696 HydrophobicContact CD1-CD1 4.45Å; I605-L696 HydrophobicContact CG2-CD1 4.27Å; L696-N700 WeakPolarHBondContact CB-O 3.21Å; L696-R712 CarbonylContact O-C 3.56Å; L696-R712 VanDerWaalsContact O-CA 3.31Å; L696-R712 WeakPolarHBondContact O-CA 3.33Å; L696-A713 HydrophobicContact CB-CB 4.34Å; L696-A713 PolarHBondContact N-O 3.47Å; L696-A713 PolarHBondContact O-N 2.87Å; L696-R715 HydrophobicContact CD1-CB 4.02Å; L696-R715 HydrophobicContact CD2-CB 4.45Å; L696-R715 HydrophobicContact CG-CB 4.06Å |
| 697 | D | 89 | Confident | 91.2 | Very high | 66 Ų | 66 | 76.5 Ų | 76.5 | 35% | 0.353 | 39% | 0.386 | S | S | . | . | trans | -141.2 | 172.4 | -177.6 | -149.7 | -9.6 | 0 | 0 | 0 | 110.9 | I695 D699 N700 A701 R712 | I695-D697 HydrophobicContact CG2-CB 4.26Å; D697-D699 PolarHBondContact O-N 2.92Å; D697-N700 CarbonylContact O-C 3.5Å; D697-N700 WeakPolarHBondContact O-CA 3.19Å; D697-N700 PolarHBondContact O-N 2.85Å; D697-A701 PolarHBondContact O-N 2.69Å; D697-R712 HydrophobicContact CB-CG 4.12Å; D697-R712 WeakPolarHBondContact OD2-CD 3.35Å; D697-R712 IonicContact OD2-CZ 3.55Å; D697-R712 IonicContact OD2-NE 3.52Å; D697-R712 PolarHBondContact OD2-NE 2.78Å; D697-R712 VanDerWaalsContact OD2-NE 3.15Å | ||
| 698 | E | 90.3 | Very high | 91.1 | Very high | 166 Ų | 166 | 81.7 Ų | 81.7 | 78% | 0.776 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | 49.4 | -121.2 | 176.7 | -57.8 | -175.2 | 167.5 | 0 | 0 | 112.6 | N700 A701 | E698-N700 PolarHBondContact O-N 3.1Å; E698-A701 VanDerWaalsContact O-CB 3.3Å; E698-A701 WeakPolarHBondContact O-CB 3.3Å; E698-A701 PolarHBondContact O-N 3.47Å |
| 699 | D | 88.4 | Confident | 91.1 | Very high | 132 Ų | 132 | 79 Ų | 79 | 71% | 0.706 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -66 | -17.4 | -178.7 | -68.1 | -22.6 | 0 | 0 | 0 | 113.3 | D697 | D697-D699 PolarHBondContact O-N 2.92Š|
| 700 | N | 90.6 | Very high | 91.1 | Very high | 114 Ų | 114 | 79.7 Ų | 79.7 | 61% | 0.61 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -108 | 15.3 | 178 | -65.1 | -44.8 | 0 | 0 | 0 | 112.8 | L696 D697 E698 | L696-N700 WeakPolarHBondContact CB-O 3.21Å; D697-N700 CarbonylContact O-C 3.5Å; D697-N700 WeakPolarHBondContact O-CA 3.19Å; D697-N700 PolarHBondContact O-N 2.85Å; E698-N700 PolarHBondContact O-N 3.1Å |
| 701 | A | 88.6 | Confident | 91.1 | Very high | 22 Ų | 22 | 79.4 Ų | 79.4 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | trans | -57.3 | 143.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D697 E698 L710 | D697-A701 PolarHBondContact O-N 2.69Å; E698-A701 VanDerWaalsContact O-CB 3.3Å; E698-A701 WeakPolarHBondContact O-CB 3.3Å; E698-A701 PolarHBondContact O-N 3.47Å; A701-L710 HydrophobicContact CB-CB 4.03Å; A701-L710 WeakPolarHBondContact O-CD2 3.16Å | ||
| 702 | Y | 91.1 | Very high | 91.2 | Very high | 42 Ų | 42 | 83.8 Ų | 83.8 | 17% | 0.165 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127 | -177.4 | 168 | -115.1 | 0 | 0 | 0 | 111.4 | I605 C704 Q711 A713 | I605-Y702 HydrophobicContact CD1-CD2 4.17Å; I605-Y702 HydrophobicContact CD1-CE2 4.21Å; I605-Y702 HydrophobicContact CG2-CD1 3.8Å; I605-Y702 HydrophobicContact CG2-CD2 3.87Å; I605-Y702 HydrophobicContact CG2-CE1 4.06Å; I605-Y702 HydrophobicContact CG2-CE2 4.15Å; I605-Y702 HydrophobicContact CG2-CG 3.7Å; Y702-C704 HydrophobicContact CD1-CB 3.95Å; Y702-C704 HydrophobicContact CE1-CB 3.73Å; Y702-C704 PolarHBondContact O-N 3.06Å; Y702-C704 VanDerWaalsContact O-N 3.11Å; Y702-Q711 PolarHBondContact N-O 2.94Å; Y702-Q711 PolarHBondContact O-N 3.45Å; Y702-A713 HydrophobicContact CD1-CB 3.97Å; Y702-A713 HydrophobicContact CG-CB 4.08Å |
| 703 | F | 92.3 | Very high | 91.3 | Very high | 111 Ų | 111 | 81.7 Ų | 81.7 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 104.1 | 169.9 | -172.6 | -94.7 | 0 | 0 | 0 | 110.4 | V708 L710 | F703-V708 HydrophobicContact CZ-CG1 4.4Å; F703-L710 HydrophobicContact CB-CD2 3.94Å; F703-L710 HydrophobicContact CD2-CD2 4.28Å |
| 704 | C | 91.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.007 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 115.8 | 179.9 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | C607 Y702 K706 C707 V708 S709 Q711 | C607-C704 HydrophobicContact CB-CB 4.27Å; Y702-C704 HydrophobicContact CD1-CB 3.95Å; Y702-C704 HydrophobicContact CE1-CB 3.73Å; Y702-C704 PolarHBondContact O-N 3.06Å; Y702-C704 VanDerWaalsContact O-N 3.11Å; C704-K706 PolarHBondContact O-N 3.46Å; C704-C707 HydrophobicContact CB-CB 3.98Å; C704-C707 CarbonylContact O-C 3.54Å; C704-C707 PolarHBondContact O-N 3.33Å; C704-V708 WeakPolarHBondContact O-CA 3.28Å; C704-V708 PolarHBondContact O-N 3.25Å; C704-S709 PolarHBondContact N-O 3.23Å; C704-Q711 HydrophobicContact CB-CB 4.3Å; C704-Q711 HydrophobicContact CB-CG 4.03Å |
| 705 | E | 91.9 | Very high | 91.5 | Very high | 161 Ų | 161 | 78.9 Ų | 78.9 | 75% | 0.752 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.1 | 178.8 | -63.9 | -178 | 171.2 | 0 | 0 | 113.4 | V708 | E705-V708 WeakPolarHBondContact O-CG2 3.21Š|
| 706 | K | 90.6 | Very high | 91.5 | Very high | 164 Ų | 164 | 76.7 Ų | 76.7 | 71% | 0.713 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -31.9 | 176 | -61.2 | -163.9 | -168.4 | 178.7 | 0 | 113.1 | C704 | C704-K706 PolarHBondContact O-N 3.46Š|
| 707 | C | 89.9 | Confident | 91.5 | Very high | 35 Ų | 35 | 76.7 Ų | 76.7 | 24% | 0.236 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -10.8 | 177.5 | -63.3 | 0 | 0 | 0 | 0 | 112.7 | C610 C704 S709 Q711 | C610-C707 VanDerWaalsContact CB-SG 3.6Å; C704-C707 HydrophobicContact CB-CB 3.98Å; C704-C707 CarbonylContact O-C 3.54Å; C704-C707 PolarHBondContact O-N 3.33Å; C707-S709 PolarHBondContact O-N 2.89Å; C707-S709 VanDerWaalsContact O-N 3.14Å; C707-S709 PolarHBondContact O-OG 3.2Å; C707-Q711 HydrophobicContact CB-CG 3.79Å |
| 708 | V | 91.7 | Very high | 91.6 | Very high | 111 Ų | 111 | 77.1 Ų | 77.1 | 67% | 0.673 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 38.8 | -178 | -160.6 | 0 | 0 | 0 | 0 | 111.9 | F703 C704 E705 | F703-V708 HydrophobicContact CZ-CG1 4.4Å; C704-V708 WeakPolarHBondContact O-CA 3.28Å; C704-V708 PolarHBondContact O-N 3.25Å; E705-V708 WeakPolarHBondContact O-CG2 3.21Å |
| 709 | S | 91.9 | Very high | 91.7 | Very high | 40 Ų | 40 | 69.3 Ų | 69.3 | 28% | 0.28 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 163.2 | -175.5 | 47.3 | 0 | 0 | 0 | 0 | 110.8 | C704 C707 Q711 | C704-S709 PolarHBondContact N-O 3.23Å; C707-S709 PolarHBondContact O-N 2.89Å; C707-S709 VanDerWaalsContact O-N 3.14Å; C707-S709 PolarHBondContact O-OG 3.2Å; S709-Q711 PolarHBondContact OG-NE2 2.89Å |
| 710 | L | 93.1 | Very high | 91.9 | Very high | 114 Ų | 114 | 64.4 Ų | 64.4 | 60% | 0.597 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 126.7 | 171.2 | -65.7 | 173.7 | 0 | 0 | 0 | 109.4 | A701 F703 | A701-L710 HydrophobicContact CB-CB 4.03Å; A701-L710 WeakPolarHBondContact O-CD2 3.16Å; F703-L710 HydrophobicContact CB-CD2 3.94Å; F703-L710 HydrophobicContact CD2-CD2 4.28Å |
| 711 | Q | 91.9 | Very high | 92 | Very high | 41 Ų | 41 | 60.8 Ų | 60.8 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 146.1 | -175.1 | -65.2 | -61.1 | -31.5 | 0 | 0 | 110 | Q609 Y702 C704 C707 S709 A713 | Q609-Q711 HydrophobicContact CB-CG 4.43Å; Q609-Q711 VanDerWaalsContact CB-OE1 3.3Å; Y702-Q711 PolarHBondContact N-O 2.94Å; Y702-Q711 PolarHBondContact O-N 3.45Å; C704-Q711 HydrophobicContact CB-CB 4.3Å; C704-Q711 HydrophobicContact CB-CG 4.03Å; C707-Q711 HydrophobicContact CB-CG 3.79Å; S709-Q711 PolarHBondContact OG-NE2 2.89Å; Q711-A713 PolarHBondContact O-N 3.41Å |
| 712 | R | 94.3 | Very high | 92.1 | Very high | 120 Ų | 120 | 60.4 Ų | 60.4 | 45% | 0.453 | 30% | 0.297 | S | S | . | . | trans | -61.4 | 131.1 | 166.1 | -170.2 | 179.6 | 178.4 | -165.7 | -2.2 | 109.3 | M608 I695 L696 D697 | M608-R712 WeakPolarHBondContact CB-O 3.25Å; M608-R712 PolarHBondContact N-O 3.36Å; M608-R712 HydrophobicContact SD-CG 3.81Å; I695-R712 HydrophobicContact CG2-CG 4.1Å; L696-R712 CarbonylContact O-C 3.56Å; L696-R712 VanDerWaalsContact O-CA 3.31Å; L696-R712 WeakPolarHBondContact O-CA 3.33Å; D697-R712 HydrophobicContact CB-CG 4.12Å; D697-R712 WeakPolarHBondContact OD2-CD 3.35Å; D697-R712 IonicContact OD2-CZ 3.55Å; D697-R712 IonicContact OD2-NE 3.52Å; D697-R712 PolarHBondContact OD2-NE 2.78Å; D697-R712 VanDerWaalsContact OD2-NE 3.15Å | ||
| 713 | A | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 157.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | I605 R606 I695 L696 Y702 Q711 | I605-A713 HydrophobicContact CG2-CB 3.73Å; R606-A713 CarbonylContact O-C 3.53Å; R606-A713 WeakPolarHBondContact O-CA 3.48Å; R606-A713 WeakPolarHBondContact O-CB 3.47Å; I695-A713 CarbonylContact C-O 3.59Å; L696-A713 HydrophobicContact CB-CB 4.34Å; L696-A713 PolarHBondContact N-O 3.47Å; L696-A713 PolarHBondContact O-N 2.87Å; Y702-A713 HydrophobicContact CD1-CB 3.97Å; Y702-A713 HydrophobicContact CG-CB 4.08Å; Q711-A713 PolarHBondContact O-N 3.41Å |
| 714 | E | 94.6 | Very high | 92.4 | Very high | 45 Ų | 45 | 55.4 Ų | 55.4 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.2 | 171.2 | -177.6 | -175.3 | -136.5 | 0 | 0 | 109.1 | I605 R606 P693 E694 I695 T716 | I605-E714 CarbonylContact C-O 3.56Å; I605-E714 WeakPolarHBondContact CA-O 3.41Å; R606-E714 IonicContact CZ-OE2 3.53Å; R606-E714 PolarHBondContact N-O 2.82Å; R606-E714 IonicContact NE-OE2 3.16Å; R606-E714 PolarHBondContact NE-OE2 3.48Å; R606-E714 IonicContact NH1-OE2 2.64Å; R606-E714 IonicContact NH2-OE2 3.19Å; R606-E714 PolarHBondContact NH2-OE2 3.21Å; R606-E714 PolarHBondContact O-N 2.8Å; P693-E714 HydrophobicContact CB-CG 4.25Å; E694-E714 CarbonylContact O-C 3.53Å; E694-E714 WeakPolarHBondContact O-CA 3.26Å; I695-E714 HydrophobicContact CD1-CB 4.04Å; I695-E714 HydrophobicContact CD1-CG 4.06Å; E714-T716 HydrophobicContact CG-CG2 4.14Å |
| 715 | R | 92.8 | Very high | 92.6 | Very high | 72 Ų | 72 | 55.4 Ų | 55.4 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.6 | 173.5 | 179.9 | 177.3 | 174.4 | -99.6 | -7.1 | 109.3 | T603 G604 I605 P693 E694 L696 M717 | T603-R715 HydrophobicContact CG2-CG 4.01Å; G604-R715 CarbonylContact O-C 3.55Å; G604-R715 WeakPolarHBondContact O-CA 3.45Å; I605-R715 HydrophobicContact CG1-CB 4.45Å; I605-R715 HydrophobicContact CG1-CG 4.32Å; P693-R715 WeakPolarHBondContact CA-O 3.37Å; E694-R715 HydrophobicContact CB-CB 4.45Å; E694-R715 PolarHBondContact N-O 2.89Å; E694-R715 PolarHBondContact O-N 2.85Å; E694-R715 IonicContact OE2-NH1 2.81Å; E694-R715 PolarHBondContact OE2-NH1 2.95Å; E694-R715 VanDerWaalsContact OE2-NH1 3.13Å; L696-R715 HydrophobicContact CD1-CB 4.02Å; L696-R715 HydrophobicContact CD2-CB 4.45Å; L696-R715 HydrophobicContact CG-CB 4.06Å; R715-M717 PolarHBondContact NH2-SD 2.98Å |
| 716 | T | 92.4 | Very high | 92.8 | Very high | 31 Ų | 31 | 47.7 Ų | 47.7 | 19% | 0.19 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.3 | 179.7 | 59.9 | 0 | 0 | 0 | 0 | 109.8 | T603 G604 P693 E714 | T603-T716 CarbonylContact C-O 3.54Å; T603-T716 WeakPolarHBondContact CA-O 3.2Å; G604-T716 PolarHBondContact N-O 3.27Å; G604-T716 PolarHBondContact O-N 2.78Å; G604-T716 PolarHBondContact O-OG1 3.24Å; P693-T716 HydrophobicContact CB-CG2 4.12Å; E714-T716 HydrophobicContact CG-CG2 4.14Å |
| 717 | M | 91.9 | Very high | 93.1 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 11% | 0.108 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 135.3 | 174.6 | -64.4 | -163.7 | -52 | 0 | 0 | 110.3 | I602 T603 F690 L691 R715 | I602-M717 WeakPolarHBondContact O-CA 3.32Å; T603-M717 HydrophobicContact CG2-CG 4.47Å; F690-M717 HydrophobicContact CD1-CE 3.81Å; F690-M717 HydrophobicContact CD2-CE 4.28Å; F690-M717 HydrophobicContact CE1-CE 3.53Å; F690-M717 HydrophobicContact CE2-CE 4.04Å; F690-M717 HydrophobicContact CG-CE 4.17Å; F690-M717 HydrophobicContact CZ-CE 3.66Å; F690-M717 WeakPolarHBondContact O-CE 3.5Å; L691-M717 HydrophobicContact CD2-CB 4.38Å; R715-M717 PolarHBondContact NH2-SD 2.98Å |
| 718 | K | 91.4 | Very high | 93.5 | Very high | 76 Ų | 76 | 38.4 Ų | 38.4 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 132.5 | -177.8 | -66.6 | 178.5 | -173.4 | 172.1 | 0 | 110.5 | L601 I602 | L601-K718 CarbonylContact C-O 3.51Å; L601-K718 WeakPolarHBondContact CA-O 3.24Å; I602-K718 PolarHBondContact N-O 3.49Å; I602-K718 PolarHBondContact O-N 3.06Å |
| 719 | V | 92.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 126.1 | 170.2 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | L601 F620 L691 L757 V759 H760 | L601-V719 HydrophobicContact CD2-CB 4.41Å; L601-V719 HydrophobicContact CD2-CG2 3.7Å; F620-V719 HydrophobicContact CE1-CG1 4.44Å; F620-V719 HydrophobicContact CZ-CG1 4.49Å; L691-V719 HydrophobicContact CD1-CG2 4.41Å; L691-V719 HydrophobicContact CD2-CG2 4.17Å; V719-L757 HydrophobicContact CG1-CD2 4.1Å; V719-L757 HydrophobicContact CG2-CD1 4.49Å; V719-L757 HydrophobicContact CG2-CD2 4.47Å; V719-V759 HydrophobicContact CG1-CG2 4.24Å; V719-V759 CarbonylContact O-C 3.6Å; V719-V759 WeakPolarHBondContact O-CA 3.5Å; V719-H760 PolarHBondContact O-N 3.35Å |
| 720 | V | 92.4 | Very high | 93.9 | Very high | 29 Ų | 29 | 31.3 Ų | 31.3 | 18% | 0.176 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -20.7 | 178.3 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | K600 I602 | K600-V720 HydrophobicContact CB-CG2 3.76Å; K600-V720 WeakPolarHBondContact O-CG2 3.37Å; K600-V720 PolarHBondContact O-N 2.89Å; I602-V720 HydrophobicContact CB-CG1 4.37Å; I602-V720 HydrophobicContact CD1-CB 4.44Å; I602-V720 HydrophobicContact CD1-CG1 3.6Å; I602-V720 HydrophobicContact CD1-CG2 4.2Å; I602-V720 HydrophobicContact CG1-CB 4.49Å; I602-V720 HydrophobicContact CG1-CG1 3.76Å; I602-V720 HydrophobicContact CG1-CG2 3.92Å |
| 721 | S | 91.9 | Very high | 94 | Very high | 38 Ų | 38 | 27.9 Ų | 27.9 | 27% | 0.266 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 124.7 | 171.9 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | G599 K600 | G599-S721 CarbonylContact C-O 2.85Å; G599-S721 VanDerWaalsContact CA-O 3.27Å; G599-S721 WeakPolarHBondContact CA-O 3.23Å; K600-S721 PolarHBondContact N-O 2.83Å; K600-S721 PolarHBondContact O-N 2.87Å |
| 722 | A | 91.7 | Very high | 94 | Very high | 14 Ų | 14 | 26.3 Ų | 26.3 | 12% | 0.116 | 13% | 0.126 | C | C | . | . | trans | -99.2 | 133 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L757 V759 Y825 | A722-L757 HydrophobicContact CB-CD2 4.12Å; A722-V759 HydrophobicContact CB-CG2 3.74Å; A722-Y825 HydrophobicContact CB-CE2 4.48Å; A722-Y825 VanDerWaalsContact CB-OH 3.29Å; A722-Y825 WeakPolarHBondContact CB-OH 3.46Å | ||
| 723 | P | 94.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.019 | 12% | 0.119 | C | C | . | . | trans | -72.9 | 164.1 | -177 | 31.1 | -36.7 | 0 | 0 | 0 | 112.6 | F597 F620 Y725 L726 Y825 | F597-P723 VanDerWaalsContact C-CB 3.5Å; F597-P723 WeakPolarHBondContact O-CB 3.46Å; F620-P723 HydrophobicContact CE2-CG 4.27Å; P723-Y725 WeakPolarHBondContact CB-O 3.39Å; P723-L726 HydrophobicContact CG-CB 4.19Å; P723-L726 HydrophobicContact CG-CD1 4.13Å; P723-Y825 PolarHBondContact O-OH 3.08Å | ||
| 724 | E | 93.8 | Very high | 93.6 | Very high | 45 Ų | 45 | 26.5 Ų | 26.5 | 21% | 0.21 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -67.6 | -43 | 173.8 | -172.7 | 57 | -150.2 | 0 | 0 | 111.4 | M596 K932 | M596-E724 WeakPolarHBondContact O-CB 3.5Å; M596-E724 PolarHBondContact O-N 2.86Å; M596-E724 VanDerWaalsContact O-N 3.16Å; E724-K932 WeakPolarHBondContact O-CB 3.38Å; E724-K932 PolarHBondContact O-N 3.35Å |
| 725 | Y | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 115.7 | 169.9 | -70.4 | -95.8 | 0 | 0 | 0 | 109.5 | A466 T467 D468 M596 F597 P723 M929 Y930 R931 | A466-Y725 HydrophobicContact CB-CD1 4.01Å; A466-Y725 HydrophobicContact CB-CE1 3.54Å; A466-Y725 HydrophobicContact CB-CE2 4.35Å; T467-Y725 PolarHBondContact N-OH 3.47Å; D468-Y725 HydrophobicContact CB-CE2 4.06Å; D468-Y725 PolarHBondContact N-OH 2.87Å; D468-Y725 PolarHBondContact OD2-OH 3.35Å; M596-Y725 PolarHBondContact O-N 2.85Å; F597-Y725 HydrophobicContact CE1-CD2 4.48Å; F597-Y725 HydrophobicContact CE1-CG 4.08Å; P723-Y725 WeakPolarHBondContact CB-O 3.39Å; Y725-M929 HydrophobicContact CD1-CE 4.04Å; Y725-M929 HydrophobicContact CD1-CG 4Å; Y725-M929 HydrophobicContact CD1-SD 3.92Å; Y725-M929 HydrophobicContact CE1-CE 4.28Å; Y725-Y930 CarbonylContact C-O 3.59Å; Y725-Y930 VanDerWaalsContact CA-O 3.25Å; Y725-Y930 WeakPolarHBondContact CA-O 3.07Å; Y725-R931 HydrophobicContact CD1-CB 4.18Å; Y725-R931 HydrophobicContact CD1-CG 4.42Å; Y725-R931 HydrophobicContact CE1-CB 3.93Å; Y725-R931 HydrophobicContact CE1-CG 3.94Å; Y725-R931 HydrophobicContact CE2-CG 4.48Å; Y725-R931 WeakPolarHBondContact OH-CD 3.26Å; Y725-R931 PolarHBondContact OH-NE 3.47Å |
| 726 | L | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 115.9 | 174.9 | 176.4 | 66.5 | 0 | 0 | 0 | 109.6 | F620 L623 P723 L728 L755 L757 Y825 M929 Y930 | F620-L726 HydrophobicContact CE2-CD1 4.18Å; L623-L726 HydrophobicContact CD1-CD1 4.02Å; L623-L726 HydrophobicContact CG-CD1 4.3Å; P723-L726 HydrophobicContact CG-CB 4.19Å; P723-L726 HydrophobicContact CG-CD1 4.13Å; L726-L728 HydrophobicContact CD1-CD2 3.99Å; L726-L728 HydrophobicContact CD2-CD2 4.02Å; L726-L728 HydrophobicContact CD2-CG 4.41Å; L726-L728 HydrophobicContact CG-CD2 3.82Å; L726-L728 HydrophobicContact CG-CG 4.2Å; L726-L755 HydrophobicContact CD2-CD2 3.99Å; L726-L757 HydrophobicContact CD1-CD2 4.43Å; L726-L757 HydrophobicContact CD2-CD1 4.31Å; L726-L757 HydrophobicContact CD2-CD2 4.21Å; L726-Y825 HydrophobicContact CB-CD1 3.87Å; L726-Y825 HydrophobicContact CB-CE1 3.56Å; L726-Y825 HydrophobicContact CD2-CD2 4.43Å; L726-Y825 HydrophobicContact CD2-CE2 4.46Å; L726-Y825 HydrophobicContact CD2-CG 4.45Å; L726-M929 WeakPolarHBondContact O-CA 3.28Å; L726-Y930 PolarHBondContact N-O 3.25Å; L726-Y930 PolarHBondContact O-N 2.9Å |
| 727 | I | 97.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.6 | 174.7 | -59.2 | 164.8 | 0 | 0 | 0 | 108.6 | L529 L533 F597 D622 L623 V927 L928 M929 | L529-I727 HydrophobicContact CD2-CD1 4.21Å; L529-I727 HydrophobicContact CD2-CG2 3.93Å; L533-I727 HydrophobicContact CD1-CD1 3.81Å; F597-I727 HydrophobicContact CB-CD1 4.48Å; F597-I727 HydrophobicContact CD1-CD1 3.62Å; F597-I727 HydrophobicContact CD1-CG1 4.21Å; F597-I727 HydrophobicContact CE1-CD1 4.18Å; F597-I727 HydrophobicContact CG-CD1 4.25Å; D622-I727 CarbonylContact C-O 3.56Å; D622-I727 VanDerWaalsContact CA-O 3.31Å; D622-I727 WeakPolarHBondContact CA-O 3.48Å; D622-I727 HydrophobicContact CB-CB 3.88Å; D622-I727 HydrophobicContact CB-CG2 3.7Å; L623-I727 PolarHBondContact N-O 3.44Å; I727-V927 HydrophobicContact CG2-CG1 3.8Å; I727-L928 CarbonylContact C-O 3.46Å; I727-L928 WeakPolarHBondContact CA-O 3.32Å; I727-M929 HydrophobicContact CG1-CG 4.39Å |
| 728 | L | 97.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.5 | 175 | -52.9 | 176.8 | 0 | 0 | 0 | 109.1 | L623 L625 V683 V687 L726 L755 V927 L928 Y930 | L623-L728 HydrophobicContact CB-CD2 3.84Å; L623-L728 HydrophobicContact CD1-CD2 4Å; L623-L728 HydrophobicContact CG-CD2 4.26Å; L625-L728 HydrophobicContact CD1-CB 4.08Å; L625-L728 HydrophobicContact CD1-CD1 4.21Å; L625-L728 HydrophobicContact CD1-CD2 4.28Å; L625-L728 HydrophobicContact CD1-CG 4.43Å; V683-L728 HydrophobicContact CG1-CD1 3.63Å; V687-L728 HydrophobicContact CG2-CD1 4.4Å; L726-L728 HydrophobicContact CD1-CD2 3.99Å; L726-L728 HydrophobicContact CD2-CD2 4.02Å; L726-L728 HydrophobicContact CD2-CG 4.41Å; L726-L728 HydrophobicContact CG-CD2 3.82Å; L726-L728 HydrophobicContact CG-CG 4.2Å; L728-L755 HydrophobicContact CD1-CD2 3.78Å; L728-V927 WeakPolarHBondContact O-CA 3.41Å; L728-L928 HydrophobicContact CB-CB 4.24Å; L728-L928 PolarHBondContact N-O 3.43Å; L728-L928 PolarHBondContact O-N 3Å; L728-Y930 HydrophobicContact CD1-CD2 4.16Å; L728-Y930 HydrophobicContact CD1-CE2 3.95Å |
| 729 | T | 97.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 114 | 176.5 | -55.9 | 0 | 0 | 0 | 0 | 108.5 | D622 L623 S624 L625 L731 Y926 | D622-T729 PolarHBondContact OD2-OG1 3.36Å; L623-T729 PolarHBondContact O-N 2.84Å; S624-T729 CarbonylContact C-O 3.5Å; L625-T729 PolarHBondContact N-O 3.24Å; T729-L731 HydrophobicContact CG2-CD2 4.25Å; T729-L731 PolarHBondContact O-N 2.69Å; T729-Y926 HydrophobicContact CG2-CE2 4.23Å |
| 730 | L | 96.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 113.7 | 177.6 | -54.6 | -170.5 | 0 | 0 | 0 | 109.1 | L625 F627 L686 R732 V749 Y926 L928 | L625-L730 HydrophobicContact CB-CD2 4.11Å; L625-L730 HydrophobicContact CD1-CD2 3.88Å; L625-L730 HydrophobicContact CG-CD2 4.45Å; F627-L730 HydrophobicContact CE2-CB 4.39Å; L686-L730 HydrophobicContact CD1-CD2 3.87Å; L730-R732 HydrophobicContact CB-CG 4.11Å; L730-R732 PolarHBondContact O-N 3.5Å; L730-V749 HydrophobicContact CD1-CB 4.44Å; L730-V749 HydrophobicContact CD1-CG1 4.36Å; L730-Y926 PolarHBondContact N-O 2.8Å; L730-Y926 WeakPolarHBondContact O-CD2 3.48Å; L730-Y926 WeakPolarHBondContact O-CE2 3.35Å; L730-L928 HydrophobicContact CD1-CD1 4.44Å; L730-L928 HydrophobicContact CD2-CD1 4.42Å |
| 731 | L | 94.2 | Very high | 89.7 | Confident | 42 Ų | 42 | 49.7 Ų | 49.7 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | trans | -75.9 | 73.1 | -177.6 | -57.3 | -172.8 | 0 | 0 | 0 | 111.2 | L625 A626 F627 T729 F733 | L625-L731 PolarHBondContact O-N 2.97Å; A626-L731 HydrophobicContact CB-CD1 4.37Å; F627-L731 WeakPolarHBondContact CD2-O 3.39Å; T729-L731 HydrophobicContact CG2-CD2 4.25Å; T729-L731 PolarHBondContact O-N 2.69Å; L731-F733 HydrophobicContact CB-CE1 4.06Å; L731-F733 HydrophobicContact CB-CE2 4.47Å; L731-F733 HydrophobicContact CB-CZ 4.02Å; L731-F733 HydrophobicContact CD2-CE1 3.95Å; L731-F733 HydrophobicContact CD2-CZ 3.74Å; L731-F733 HydrophobicContact CG-CZ 4.32Å; L731-F733 PolarHBondContact O-N 2.91Å | ||
| 732 | R | 92.6 | Very high | 89.4 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | trans | -78.4 | 45.2 | -174.6 | -70.8 | -175.2 | 169.7 | -80.6 | 2.1 | 113.3 | F627 L730 K744 I745 D747 V749 T924 A925 | F627-R732 HydrophobicContact CE2-CB 4.43Å; F627-R732 HydrophobicContact CE2-CG 3.63Å; F627-R732 HydrophobicContact CZ-CG 3.74Å; L730-R732 HydrophobicContact CB-CG 4.11Å; L730-R732 PolarHBondContact O-N 3.5Å; R732-K744 CarbonylContact O-C 3.58Å; R732-K744 VanDerWaalsContact O-CA 3.3Å; R732-K744 WeakPolarHBondContact O-CA 3.4Å; R732-I745 HydrophobicContact CB-CB 4.37Å; R732-I745 PolarHBondContact NH1-O 3.27Å; R732-I745 VanDerWaalsContact NH1-O 3.14Å; R732-I745 PolarHBondContact O-N 3.37Å; R732-D747 PolarHBondContact NH1-O 2.96Å; R732-D747 PolarHBondContact NH2-O 3.34Å; R732-V749 VanDerWaalsContact NH2-CG2 3.31Å; R732-T924 VanDerWaalsContact CD-CB 3.5Å; R732-T924 WeakPolarHBondContact CD-OG1 3.15Å; R732-A925 WeakPolarHBondContact CD-O 3.44Å; R732-A925 PolarHBondContact NE-O 2.95Å | ||
| 733 | F | 90.1 | Very high | 89.1 | Confident | 71 Ų | 71 | 57.9 Ų | 57.9 | 31% | 0.311 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 139.4 | 179.2 | 44.7 | -91.4 | 0 | 0 | 0 | 110.8 | L731 R742 K743 | L731-F733 HydrophobicContact CB-CE1 4.06Å; L731-F733 HydrophobicContact CB-CE2 4.47Å; L731-F733 HydrophobicContact CB-CZ 4.02Å; L731-F733 HydrophobicContact CD2-CE1 3.95Å; L731-F733 HydrophobicContact CD2-CZ 3.74Å; L731-F733 HydrophobicContact CG-CZ 4.32Å; L731-F733 PolarHBondContact O-N 2.91Å; F733-R742 HydrophobicContact CB-CG 4.06Å; F733-R742 VanDerWaalsContact CB-NE 3.29Å; F733-K743 CarbonylContact C-O 3.53Å; F733-K743 VanDerWaalsContact CA-O 3.3Å; F733-K743 WeakPolarHBondContact CA-O 3.31Å |
| 734 | S | 89.3 | Confident | 89 | Confident | 53 Ų | 53 | 58.2 Ų | 58.2 | 37% | 0.371 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 155.1 | 174.3 | 57 | 0 | 0 | 0 | 0 | 108.6 | R742 K743 | S734-R742 CarbonylContact O-C 3.41Å; S734-R742 WeakPolarHBondContact O-CA 3.32Å; S734-K743 PolarHBondContact N-O 3.49Å; S734-K743 PolarHBondContact O-N 3.3Å; S734-K743 PolarHBondContact OG-O 2.97Å |
| 735 | Y | 86.4 | Confident | 88.9 | Confident | 147 Ų | 147 | 57.2 Ų | 57.2 | 58% | 0.576 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.9 | 172.2 | -177.5 | -104.6 | 0 | 0 | 0 | 108.5 | A737 H740 | Y735-A737 HydrophobicContact CE1-CB 4.46Å; Y735-A737 PolarHBondContact O-N 3.32Å; Y735-H740 AromaticContact CZ-ND1 3.97Å; Y735-H740 WeakPolarHBondContact OH-CA 3.28Å; Y735-H740 PolarHBondContact OH-ND1 2.64Å |
| 736 | D | 81.4 | Confident | 88.6 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 102.5 | 173.3 | 178.3 | 9.7 | 0 | 0 | 0 | 109.2 | K738 S739 H740 I741 | D736-K738 PolarHBondContact O-N 2.92Å; D736-K738 VanDerWaalsContact O-N 3.16Å; D736-K738 WeakPolarHBondContact OD1-CB 3.25Å; D736-K738 PolarHBondContact OD1-N 3.38Å; D736-S739 WeakPolarHBondContact CB-OG 3.4Å; D736-S739 PolarHBondContact O-N 3.31Å; D736-S739 WeakPolarHBondContact OD2-CB 3.36Å; D736-S739 PolarHBondContact OD2-OG 3.45Å; D736-H740 WeakPolarHBondContact O-CA 3.47Å; D736-H740 PolarHBondContact O-N 3.46Å; D736-I741 PolarHBondContact N-O 2.8Å |
| 737 | A | 81.2 | Confident | 88.2 | Confident | 70 Ų | 70 | 65 Ų | 65 | 58% | 0.579 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y735 | Y735-A737 HydrophobicContact CE1-CB 4.46Å; Y735-A737 PolarHBondContact O-N 3.32Å |
| 738 | K | 79.8 | Confident | 87.8 | Confident | 195 Ų | 195 | 66.8 Ų | 66.8 | 85% | 0.848 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -39.1 | 178.9 | -64.6 | -178.9 | -179.9 | 178.5 | 0 | 112.4 | D736 | D736-K738 PolarHBondContact O-N 2.92Å; D736-K738 VanDerWaalsContact O-N 3.16Å; D736-K738 WeakPolarHBondContact OD1-CB 3.25Å; D736-K738 PolarHBondContact OD1-N 3.38Å |
| 739 | S | 77.1 | Confident | 87.5 | Confident | 53 Ų | 53 | 67 Ų | 67 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -6.5 | -177.5 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | D736 I741 | D736-S739 WeakPolarHBondContact CB-OG 3.4Å; D736-S739 PolarHBondContact O-N 3.31Å; D736-S739 WeakPolarHBondContact OD2-CB 3.36Å; D736-S739 PolarHBondContact OD2-OG 3.45Å; S739-I741 WeakPolarHBondContact O-CG1 3.41Å; S739-I741 PolarHBondContact O-N 3.16Å |
| 740 | H | 79.3 | Confident | 87.2 | Confident | 138 Ų | 138 | 70.4 Ų | 70.4 | 64% | 0.639 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 27.6 | -173.3 | -66.2 | -67.7 | 0 | 0 | 0 | 113.7 | Y735 D736 | Y735-H740 AromaticContact CZ-ND1 3.97Å; Y735-H740 WeakPolarHBondContact OH-CA 3.28Å; Y735-H740 PolarHBondContact OH-ND1 2.64Å; D736-H740 WeakPolarHBondContact O-CA 3.47Å; D736-H740 PolarHBondContact O-N 3.46Å |
| 741 | I | 80.1 | Confident | 87.1 | Confident | 101 Ų | 101 | 70.8 Ų | 70.8 | 52% | 0.518 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 143.1 | -176.2 | -69.7 | 162.7 | 0 | 0 | 0 | 110.2 | D736 S739 | D736-I741 PolarHBondContact N-O 2.8Å; S739-I741 WeakPolarHBondContact O-CG1 3.41Å; S739-I741 PolarHBondContact O-N 3.16Å |
| 742 | R | 85.3 | Confident | 86.9 | Confident | 91 Ų | 91 | 70 Ų | 70 | 34% | 0.343 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 130.1 | 169.5 | -170.7 | -174.1 | -176.2 | -151.7 | 6.1 | 108.9 | F733 S734 S838 | F733-R742 HydrophobicContact CB-CG 4.06Å; F733-R742 VanDerWaalsContact CB-NE 3.29Å; S734-R742 CarbonylContact O-C 3.41Å; S734-R742 WeakPolarHBondContact O-CA 3.32Å; R742-S838 WeakPolarHBondContact CG-OG 3.16Å; R742-S838 PolarHBondContact O-OG 2.69Å |
| 743 | K | 86.6 | Confident | 86.8 | Confident | 133 Ų | 133 | 71.9 Ų | 71.9 | 58% | 0.578 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.4 | -179.6 | -173.9 | -179.4 | 178.2 | -176.7 | 0 | 110.4 | F733 S734 | F733-K743 CarbonylContact C-O 3.53Å; F733-K743 VanDerWaalsContact CA-O 3.3Å; F733-K743 WeakPolarHBondContact CA-O 3.31Å; S734-K743 PolarHBondContact N-O 3.49Å; S734-K743 PolarHBondContact O-N 3.3Å; S734-K743 PolarHBondContact OG-O 2.97Å |
| 744 | K | 92.2 | Very high | 86.9 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 4% | 0.039 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 135.1 | 172.8 | -172.4 | 179.3 | 173.8 | -173.3 | 0 | 110.9 | R732 L746 H833 G835 K922 T924 | R732-K744 CarbonylContact O-C 3.58Å; R732-K744 VanDerWaalsContact O-CA 3.3Å; R732-K744 WeakPolarHBondContact O-CA 3.4Å; K744-L746 HydrophobicContact CD-CD2 3.83Å; K744-L746 HydrophobicContact CG-CD2 4.07Å; K744-H833 WeakPolarHBondContact CE-ND1 3.4Å; K744-H833 PolarHBondContact NZ-ND1 2.96Å; K744-H833 PolarHBondContact NZ-O 3.16Å; K744-G835 VanDerWaalsContact CD-O 3.26Å; K744-G835 WeakPolarHBondContact CD-O 3.33Å; K744-G835 WeakPolarHBondContact CE-O 3.46Å; K744-G835 PolarHBondContact NZ-O 3.45Å; K744-K922 PolarHBondContact NZ-O 3.15Å; K744-T924 WeakPolarHBondContact CE-OG1 3.47Å; K744-T924 PolarHBondContact NZ-OG1 3.4Å; K744-T924 VanDerWaalsContact NZ-OG1 3.13Å |
| 745 | I | 90.7 | Very high | 87.1 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | trans | -87.3 | 112.3 | 173.4 | -57.7 | 173.1 | 0 | 0 | 0 | 108.2 | F627 R732 D747 | F627-I745 HydrophobicContact CB-CD1 4.02Å; F627-I745 HydrophobicContact CD1-CG2 3.88Å; F627-I745 HydrophobicContact CD2-CD1 3.93Å; F627-I745 HydrophobicContact CE1-CG2 3.92Å; F627-I745 HydrophobicContact CG-CD1 3.94Å; F627-I745 HydrophobicContact CG-CG2 4.23Å; F627-I745 HydrophobicContact CZ-CG2 4.3Å; R732-I745 HydrophobicContact CB-CB 4.37Å; R732-I745 PolarHBondContact NH1-O 3.27Å; R732-I745 VanDerWaalsContact NH1-O 3.14Å; R732-I745 PolarHBondContact O-N 3.37Å; I745-D747 HydrophobicContact CG2-CB 3.93Å | ||
| 746 | L | 89.8 | Confident | 87.3 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 35% | 0.346 | 36% | 0.362 | S | S | . | . | trans | -93.4 | -1 | -176.5 | -62.4 | 175.7 | 0 | 0 | 0 | 113.2 | K744 N748 T924 | K744-L746 HydrophobicContact CD-CD2 3.83Å; K744-L746 HydrophobicContact CG-CD2 4.07Å; L746-N748 PolarHBondContact O-N 3.42Å; L746-T924 HydrophobicContact CD2-CG2 3.96Å | ||
| 747 | D | 88.4 | Confident | 87.8 | Confident | 97 Ų | 97 | 68.3 Ų | 68.3 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | trans | -53.5 | 130.7 | -177.6 | -55.7 | -1.5 | 0 | 0 | 0 | 111.1 | F627 R732 I745 V749 | F627-D747 HydrophobicContact CE1-CB 4.33Å; R732-D747 PolarHBondContact NH1-O 2.96Å; R732-D747 PolarHBondContact NH2-O 3.34Å; I745-D747 HydrophobicContact CG2-CB 3.93Å; D747-V749 PolarHBondContact O-N 2.85Å | ||
| 748 | N | 88.3 | Confident | 88.2 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | trans | -66.4 | 133 | 178 | -175.2 | 29.2 | 0 | 0 | 0 | 109.8 | L746 T917 N918 | L746-N748 PolarHBondContact O-N 3.42Å; N748-T917 HydrophobicContact CB-CG2 4.11Å; N748-T917 WeakPolarHBondContact OD1-CB 3.31Å; N748-N918 PolarHBondContact ND2-ND2 3.01Å; N748-N918 PolarHBondContact ND2-OD1 3.23Å | ||
| 749 | V | 91 | Very high | 88.6 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | trans | -123 | 120.7 | 176.6 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | F627 L681 V683 L686 L730 R732 D747 I751 | F627-V749 HydrophobicContact CE1-CG2 3.55Å; F627-V749 HydrophobicContact CZ-CG2 3.74Å; L681-V749 HydrophobicContact CD2-CG2 4.02Å; L681-V749 HydrophobicContact CG-CG2 4.33Å; L681-V749 CarbonylContact O-C 3.47Å; L681-V749 VanDerWaalsContact O-CA 3.3Å; L681-V749 WeakPolarHBondContact O-CA 3.33Å; V683-V749 HydrophobicContact CG2-CG1 3.85Å; L686-V749 HydrophobicContact CD1-CG1 3.88Å; L686-V749 HydrophobicContact CD1-CG2 4.24Å; L730-V749 HydrophobicContact CD1-CB 4.44Å; L730-V749 HydrophobicContact CD1-CG1 4.36Å; R732-V749 VanDerWaalsContact NH2-CG2 3.31Å; D747-V749 PolarHBondContact O-N 2.85Å; V749-I751 PolarHBondContact O-N 2.84Å | ||
| 750 | I | 91.5 | Very high | 89 | Confident | 71 Ų | 71 | 57.1 Ų | 57.1 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -70.1 | 123.9 | 178.9 | -62.7 | 178.1 | 0 | 0 | 0 | 110 | P680 L681 V683 P752 | P680-I750 HydrophobicContact CB-CD1 3.68Å; P680-I750 HydrophobicContact CB-CG1 4.33Å; P680-I750 HydrophobicContact CG-CD1 3.43Å; P680-I750 VanDerWaalsContact CG-CD1 3.43Å; L681-I750 PolarHBondContact O-N 2.61Å; V683-I750 PolarHBondContact N-O 3.4Å; I750-P752 WeakPolarHBondContact O-CD 3.48Å |
| 751 | I | 93.3 | Very high | 88.7 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 5% | 0.046 | 27% | 0.272 | C | S | . | . | trans | -102.5 | 108.8 | 178.9 | -53.7 | 163.9 | 0 | 0 | 0 | 108.8 | V683 V749 L827 V830 Q914 A925 L928 Y930 | V683-I751 HydrophobicContact CG2-CB 4.49Å; V683-I751 HydrophobicContact CG2-CG1 4.14Å; V749-I751 PolarHBondContact O-N 2.84Å; I751-L827 HydrophobicContact CG2-CD1 4.08Å; I751-L827 HydrophobicContact CG2-CD2 3.92Å; I751-V830 HydrophobicContact CD1-CG1 4.35Å; I751-Q914 PolarHBondContact O-NE2 2.9Å; I751-Q914 VanDerWaalsContact O-NE2 3.15Å; I751-A925 HydrophobicContact CD1-CB 3.43Å; I751-A925 VanDerWaalsContact CD1-CB 3.43Å; I751-L928 HydrophobicContact CD1-CD2 3.88Å; I751-L928 HydrophobicContact CG1-CD1 4.41Å; I751-L928 HydrophobicContact CG1-CD2 4.34Å; I751-L928 HydrophobicContact CG2-CD1 4.24Å; I751-L928 HydrophobicContact CG2-CD2 4.26Å; I751-Y930 WeakPolarHBondContact CG2-OH 3.42Å | ||
| 752 | P | 91.6 | Very high | 87.5 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 16% | 0.156 | 28% | 0.277 | C | S | . | . | trans | -76.2 | 146.1 | 179.3 | 33.5 | -36.7 | 0 | 0 | 0 | 111 | P684 I750 A754 Y930 | P684-P752 HydrophobicContact CG-CG 4.09Å; I750-P752 WeakPolarHBondContact O-CD 3.48Å; P752-A754 WeakPolarHBondContact CB-O 3.49Å; P752-A754 PolarHBondContact O-N 2.83Å; P752-Y930 WeakPolarHBondContact O-CE1 3.37Å; P752-Y930 PolarHBondContact O-OH 3.18Å | ||
| 753 | P | 89.6 | Confident | 85.5 | Confident | 48 Ų | 48 | 51.1 Ų | 51.1 | 31% | 0.312 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -70.8 | -22.9 | 176.9 | 29.5 | -32.2 | 0 | 0 | 0 | 112.3 | L827 L910 | P753-L827 PolarHBondContact O-N 2.97Å; P753-L910 HydrophobicContact CB-CD1 4.41Å; P753-L910 HydrophobicContact CB-CD2 4Å |
| 754 | A | 91.3 | Very high | 82.8 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 46% | 0.463 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P752 Y825 M826 | P752-A754 WeakPolarHBondContact CB-O 3.49Å; P752-A754 PolarHBondContact O-N 2.83Å; A754-Y825 CarbonylContact C-O 3.53Å; A754-Y825 WeakPolarHBondContact CA-O 3.4Å; A754-M826 HydrophobicContact CB-SD 3.81Å |
| 755 | L | 93.6 | Very high | 80 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 145.4 | 178.5 | 179.3 | 66.6 | 0 | 0 | 0 | 109.2 | P684 L726 L728 Y825 Y930 | P684-L755 HydrophobicContact CG-CD1 3.94Å; L726-L755 HydrophobicContact CD2-CD2 3.99Å; L728-L755 HydrophobicContact CD1-CD2 3.78Å; L755-Y825 PolarHBondContact N-O 2.85Å; L755-Y825 WeakPolarHBondContact O-CB 3.46Å; L755-Y825 PolarHBondContact O-N 3Å; L755-Y930 HydrophobicContact CB-CD1 3.84Å; L755-Y930 HydrophobicContact CB-CE1 3.62Å; L755-Y930 HydrophobicContact CD2-CD2 4.35Å; L755-Y930 HydrophobicContact CD2-CE1 4.49Å; L755-Y930 HydrophobicContact CD2-CE2 4.26Å |
| 756 | R | 91.9 | Very high | 77 | Confident | 194 Ų | 194 | 61 Ų | 61 | 73% | 0.732 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 116.6 | 173 | -76 | -177.5 | 178.9 | -164.7 | 3.2 | 109 | S822 V823 | R756-S822 WeakPolarHBondContact CB-OG 3.37Å; R756-S822 WeakPolarHBondContact CD-OG 3.22Å; R756-V823 WeakPolarHBondContact CA-O 3.44Å |
| 757 | L | 91.6 | Very high | 73.9 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.8 | 177.9 | -169.9 | 72.7 | 0 | 0 | 0 | 109.5 | V687 V719 A722 L726 V759 V823 Y825 | V687-L757 HydrophobicContact CG1-CD1 4.07Å; V719-L757 HydrophobicContact CG1-CD2 4.1Å; V719-L757 HydrophobicContact CG2-CD1 4.49Å; V719-L757 HydrophobicContact CG2-CD2 4.47Å; A722-L757 HydrophobicContact CB-CD2 4.12Å; L726-L757 HydrophobicContact CD1-CD2 4.43Å; L726-L757 HydrophobicContact CD2-CD1 4.31Å; L726-L757 HydrophobicContact CD2-CD2 4.21Å; L757-V759 PolarHBondContact O-N 2.88Å; L757-V823 PolarHBondContact N-O 2.92Å; L757-V823 PolarHBondContact O-N 3.02Å; L757-Y825 HydrophobicContact CB-CD2 4.08Å; L757-Y825 HydrophobicContact CB-CE2 3.95Å; L757-Y825 HydrophobicContact CD2-CE2 4.16Å |
| 758 | P | 89.5 | Confident | 70.8 | Confident | 33 Ų | 33 | 73.2 Ų | 73.2 | 21% | 0.214 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 119.8 | 175.4 | 29 | -32.2 | 0 | 0 | 0 | 110.3 | L691 V820 | L691-P758 HydrophobicContact CD1-CG 3.7Å; P758-V820 HydrophobicContact CB-CG1 3.98Å |
| 759 | V | 87.8 | Confident | 67.7 | Low | 13 Ų | 13 | 76.6 Ų | 76.6 | 8% | 0.079 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.5 | 177.6 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | V719 A722 L757 Q821 V823 | V719-V759 HydrophobicContact CG1-CG2 4.24Å; V719-V759 CarbonylContact O-C 3.6Å; V719-V759 WeakPolarHBondContact O-CA 3.5Å; A722-V759 HydrophobicContact CB-CG2 3.74Å; L757-V759 PolarHBondContact O-N 2.88Å; V759-Q821 PolarHBondContact N-O 3.24Å; V759-Q821 PolarHBondContact O-N 2.89Å; V759-V823 HydrophobicContact CB-CG2 4.15Å; V759-V823 HydrophobicContact CG2-CB 4.16Å; V759-V823 HydrophobicContact CG2-CG2 3.51Å |
| 760 | H | 85.6 | Confident | 64.6 | Low | 38 Ų | 38 | 81.3 Ų | 81.3 | 18% | 0.176 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.9 | 179.4 | -63.8 | -93.6 | 0 | 0 | 0 | 109.8 | V719 S762 | V719-H760 PolarHBondContact O-N 3.35Å; H760-S762 PolarHBondContact O-N 3.14Å |
| 761 | A | 73.2 | Confident | 61.5 | Low | 49 Ų | 49 | 82.7 Ų | 82.7 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 128.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A763 S819 | A761-A763 PolarHBondContact O-N 3.04Å; A761-S819 PolarHBondContact N-O 3.24Å |
| 762 | S | 55.7 | Low | 58.3 | Low | 89 Ų | 89 | 87.2 Ų | 87.2 | 62% | 0.622 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 125.8 | 172.1 | 51.4 | 0 | 0 | 0 | 0 | 109.2 | H760 T764 | H760-S762 PolarHBondContact O-N 3.14Å; S762-T764 PolarHBondContact O-N 2.81Å; S762-T764 VanDerWaalsContact O-N 3.11Å |
| 763 | A | 43.3 | Very low | 55.2 | Low | 66 Ų | 66 | 91.5 Ų | 91.5 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | trans | -71.7 | 104.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | A761 | A761-A763 PolarHBondContact O-N 3.04Š| ||
| 764 | T | 29.9 | Very low | 52 | Low | 111 Ų | 111 | 94.5 Ų | 94.5 | 68% | 0.681 | 57% | 0.571 | S | S | * | * | trans | -60.2 | 136.1 | 167 | -5.2 | 0 | 0 | 0 | 0 | 108.9 | S762 V766 | S762-T764 PolarHBondContact O-N 2.81Å; S762-T764 VanDerWaalsContact O-N 3.11Å; T764-V766 PolarHBondContact O-N 2.91Å; T764-V766 VanDerWaalsContact O-N 3.15Å | ||
| 765 | P | 32.3 | Very low | 49.4 | Very low | 121 Ų | 121 | 97 Ų | 97 | 79% | 0.786 | 58% | 0.583 | S | S | * | * | trans | -66 | 116.1 | 168.6 | -7.2 | 22 | 0 | 0 | 0 | 107.8 | Q767 | P765-Q767 PolarHBondContact O-N 3.38Š| ||
| 766 | V | 27.9 | Very low | 46.1 | Very low | 142 Ų | 142 | 103.5 Ų | 103.5 | 86% | 0.861 | 62% | 0.617 | S | S | * | * | trans | -71.6 | 101.3 | 173.2 | 179.2 | 0 | 0 | 0 | 0 | 107.6 | T764 | T764-V766 PolarHBondContact O-N 2.91Å; T764-V766 VanDerWaalsContact O-N 3.15Å | ||
| 767 | Q | 25.1 | Very low | 42.9 | Very low | 182 Ų | 182 | 102.4 Ų | 102.4 | 85% | 0.85 | 62% | 0.62 | S | S | * | * | trans | -83.7 | 119.5 | 165.8 | -154.3 | 170.3 | 2.2 | 0 | 0 | 107.6 | P765 S769 | P765-Q767 PolarHBondContact O-N 3.38Å; Q767-S769 PolarHBondContact O-N 3.35Å; Q767-S769 VanDerWaalsContact O-N 3.14Å | ||
| 768 | W | 23.2 | Very low | 39.8 | Very low | 238 Ų | 238 | 107.7 Ų | 107.7 | 90% | 0.902 | 65% | 0.652 | S | S | * | * | trans | -62.9 | 107.8 | -178.4 | -149.3 | -43.4 | 0 | 0 | 0 | 109.9 | S770 | W768-S770 PolarHBondContact O-N 2.94Š| ||
| 769 | S | 23.9 | Very low | 36.6 | Very low | 113 Ų | 113 | 113.2 Ų | 113.2 | 79% | 0.79 | 68% | 0.68 | S | S | * | * | trans | -87.1 | 97 | 171.1 | 38.7 | 0 | 0 | 0 | 0 | 109.5 | Q767 | Q767-S769 PolarHBondContact O-N 3.35Å; Q767-S769 VanDerWaalsContact O-N 3.14Å | ||
| 770 | S | 26 | Very low | 33.4 | Very low | 104 Ų | 104 | 118 Ų | 118 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | -82.7 | 120.1 | 155.7 | -54.8 | 0 | 0 | 0 | 0 | 107.1 | W768 | W768-S770 PolarHBondContact O-N 2.94Š| ||
| 771 | A | 25.4 | Very low | 31.4 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | trans | -74.7 | 127.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 772 | S | 26.2 | Very low | 29 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -175.3 | 120.1 | 134 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 773 | S | 26.1 | Very low | 27.5 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | 50.6 | 119.2 | 143.5 | 58 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 774 | S | 21.7 | Very low | 26.6 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -61.7 | -177 | 157.2 | -16.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 775 | P | 37.8 | Very low | 26.5 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | cis | -136.5 | 177.9 | -13.6 | 27.9 | -4.8 | 0 | 0 | 0 | 114.4 | ||||
| 776 | L | 23.8 | Very low | 26.4 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 130.5 | 109.5 | 140.9 | -68.8 | 167.7 | 0 | 0 | 0 | 116.3 | ||||
| 777 | Q | 25.2 | Very low | 26.3 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | 73.7 | 131 | 115.8 | -122.3 | -178.4 | 24.6 | 0 | 0 | 122.1 | |||||
| 778 | V | 26.4 | Very low | 26.5 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | 99.2 | 120 | 145.5 | -165.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 779 | D | 22.3 | Very low | 26.8 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | 43.7 | 134.2 | 146.7 | -55.8 | -26.8 | 0 | 0 | 0 | 125.4 | ||||
| 780 | S | 21.4 | Very low | 27 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -29.2 | 175.9 | 145.6 | -77.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 781 | P | 42.6 | Very low | 26.9 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | cis | -136.8 | -166.8 | -24.5 | 32.4 | -9.7 | 0 | 0 | 0 | 113.5 | ||||
| 782 | E | 23.1 | Very low | 26.9 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | trans | 94.8 | 124.6 | 149.1 | -80.5 | -177.4 | 179.8 | 0 | 0 | 122.9 | ||||
| 783 | S | 23.8 | Very low | 27.8 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | 99.2 | 122.3 | 129.6 | 73.6 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 784 | S | 25.6 | Very low | 27.8 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | trans | 72.1 | 115.6 | 134.8 | 67 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 785 | E | 27.3 | Very low | 28.1 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | 74.4 | 114.1 | 118 | -69.5 | -161.5 | 154.2 | 0 | 0 | 122 | |||||
| 786 | N | 29.8 | Very low | 27.6 | Very low | 124 Ų | 124 | 136 Ų | 136 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | 82.1 | 130.2 | 120.8 | -68.4 | -37.6 | 0 | 0 | 0 | 122 | |||||
| 787 | L | 26.8 | Very low | 27.7 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | 115.7 | 106.1 | 125.6 | -122.5 | 81 | 0 | 0 | 0 | 119.2 | |||||
| 788 | A | 27.9 | Very low | 28.1 | Very low | 78 Ų | 78 | 138.7 Ų | 138.7 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | trans | -18.8 | 147.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 789 | K | 30 | Very low | 28.5 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | 160.7 | 139.8 | 106.1 | -92 | 170.3 | -178.7 | 165.7 | 0 | 113.1 | |||||
| 790 | K | 26.9 | Very low | 29 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 62.2 | 149.3 | 137.2 | -70.7 | -177.4 | 160.2 | -172.1 | 0 | 117.8 | ||||
| 791 | L | 25.4 | Very low | 29.6 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | cis | -168.8 | 149.7 | -1.6 | -101.9 | 160.3 | 0 | 0 | 0 | 106.4 | ||||
| 792 | K | 24.1 | Very low | 29.2 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -17.9 | -178.2 | 152.1 | -77.2 | -178.1 | 169.7 | -178.9 | 0 | 119.2 | ||||
| 793 | P | 46.1 | Very low | 29.8 | Very low | 111 Ų | 111 | 149.7 Ų | 149.7 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | -141.1 | 178.6 | -50.6 | 41.6 | -23.6 | 0 | 0 | 0 | 112.6 | |||||
| 794 | S | 26.1 | Very low | 30.3 | Very low | 112 Ų | 112 | 153 Ų | 153 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -176.1 | 115.2 | 153.8 | 19.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 795 | Q | 28.1 | Very low | 31 | Very low | 201 Ų | 201 | 155.7 Ų | 155.7 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | 46.8 | 123.6 | 80.3 | -71.8 | -169.9 | -17.9 | 0 | 0 | 112 | |||||
| 796 | G | 26.8 | Very low | 31.4 | Very low | 63 Ų | 63 | 153.1 Ų | 153.1 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | cis | 179.4 | -172.3 | 6.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 797 | E | 26.9 | Very low | 31.5 | Very low | 188 Ų | 188 | 154.6 Ų | 154.6 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | 78.4 | 120 | 176.9 | -49.7 | 172.5 | -173.9 | 0 | 0 | 111.1 | ||||
| 798 | E | 31.6 | Very low | 31.8 | Very low | 180 Ų | 180 | 155 Ų | 155 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | cis | -148.3 | 123.8 | 33.7 | -70 | 173.8 | 153.1 | 0 | 0 | 110.3 | E800 | E798-E800 PolarHBondContact O-N 3.29Š| ||
| 799 | E | 35.6 | Very low | 32 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 68.8 | 175.9 | -167.7 | 174.1 | -147.6 | 0 | 0 | 108.2 | ||
| 800 | E | 32.4 | Very low | 32 | Very low | 194 Ų | 194 | 154.5 Ų | 154.5 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.4 | 23.3 | 161.7 | -123.1 | -172.9 | -172.5 | 0 | 0 | 114.6 | E798 | E798-E800 PolarHBondContact O-N 3.29Š|
| 801 | E | 33.7 | Very low | 32.2 | Very low | 136 Ų | 136 | 154.8 Ų | 154.8 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -114 | 14.7 | 162.6 | -123.5 | -165.9 | -161.9 | 0 | 0 | 112.4 | R805 | E801-R805 IonicContact OE2-CZ 2.95Å; E801-R805 IonicContact OE2-NH1 3.75Å; E801-R805 PolarHBondContact OE2-NH1 3.36Å; E801-R805 IonicContact OE2-NH2 2.69Å; E801-R805 PolarHBondContact OE2-NH2 2.81Å |
| 802 | R | 34.7 | Very low | 32.4 | Very low | 185 Ų | 185 | 156.2 Ų | 156.2 | 70% | 0.698 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -104.3 | -4.5 | -171.9 | -146.5 | 177.2 | -158.4 | 162.9 | 7.2 | 115.2 | L806 | R802-L806 WeakPolarHBondContact O-CD1 2.81Š|
| 803 | K | 35.4 | Very low | 32.7 | Very low | 198 Ų | 198 | 153.3 Ų | 153.3 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -100.5 | 3.1 | -179.3 | -138.6 | 176.7 | -179.2 | -176.9 | 0 | 115.1 | ||
| 804 | L | 34.7 | Very low | 32 | Very low | 170 Ų | 170 | 159.6 Ų | 159.6 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -120.2 | 12.1 | 168.9 | -74.5 | 167.2 | 0 | 0 | 0 | 113.2 | ||
| 805 | R | 39.8 | Very low | 32.3 | Very low | 155 Ų | 155 | 157.6 Ų | 157.6 | 59% | 0.585 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -120.7 | 19.2 | 175.6 | -70.1 | -168.8 | -178.9 | 123.9 | 1.8 | 114 | E801 | E801-R805 IonicContact OE2-CZ 2.95Å; E801-R805 IonicContact OE2-NH1 3.75Å; E801-R805 PolarHBondContact OE2-NH1 3.36Å; E801-R805 IonicContact OE2-NH2 2.69Å; E801-R805 PolarHBondContact OE2-NH2 2.81Å |
| 806 | L | 37.2 | Very low | 32.6 | Very low | 114 Ų | 114 | 158.1 Ų | 158.1 | 60% | 0.597 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -104.1 | -2.9 | 178.5 | -90.1 | 156.4 | 0 | 0 | 0 | 114.7 | R802 | R802-L806 WeakPolarHBondContact O-CD1 2.81Š|
| 807 | D | 31.8 | Very low | 33 | Very low | 155 Ų | 155 | 163.9 Ų | 163.9 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -102.4 | -4 | 171.6 | -75.7 | -20.7 | 0 | 0 | 0 | 114 | ||
| 808 | E | 32.5 | Very low | 34 | Very low | 162 Ų | 162 | 157.8 Ų | 157.8 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -106.4 | -11.4 | 174.6 | -81.8 | -169.4 | 131.7 | 0 | 0 | 114.5 | ||
| 809 | A | 31.2 | Very low | 35.3 | Very low | 63 Ų | 63 | 153.2 Ų | 153.2 | 52% | 0.521 | 74% | 0.742 | S | S | . | * | S | Bend | trans | -83.7 | -18.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 810 | E | 31.9 | Very low | 37.3 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -89.6 | 0.7 | 173.7 | -74.5 | -165.8 | 153.1 | 0 | 0 | 113.9 | ||
| 811 | K | 29.6 | Very low | 39.7 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -110 | -2 | 175.6 | -118.4 | 176.7 | -178.6 | 177.5 | 0 | 115.3 | ||
| 812 | M | 29.3 | Very low | 42.1 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 83% | 0.828 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -115.2 | 10.4 | -173.7 | -152.2 | 62 | 131.3 | 0 | 0 | 115.3 | ||
| 813 | T | 31.3 | Very low | 44.8 | Very low | 128 Ų | 128 | 133 Ų | 133 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -114.7 | 11 | 171.8 | 42.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 814 | R | 32.5 | Very low | 47.5 | Very low | 244 Ų | 244 | 124.7 Ų | 124.7 | 92% | 0.921 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -112.9 | 87 | 164.9 | -81 | -173 | -172 | -166.5 | 3.1 | 109.5 | ||
| 815 | G | 31.6 | Very low | 50.4 | Low | 70 Ų | 70 | 116.6 Ų | 116.6 | 72% | 0.722 | 59% | 0.592 | S | S | * | * | trans | 165.6 | 43.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 816 | R | 33.8 | Very low | 52.9 | Low | 211 Ų | 211 | 111.6 Ų | 111.6 | 80% | 0.796 | 58% | 0.576 | S | S | * | * | trans | -109.1 | 68.2 | 153.1 | -159.3 | 176.7 | -172.3 | -153.4 | 1.2 | 106.8 | T818 | R816-T818 VanDerWaalsContact C-N 3.32Å; R816-T818 PolarHBondContact O-N 2.84Å | ||
| 817 | E | 35.2 | Very low | 55.6 | Low | 185 Ų | 185 | 106.1 Ų | 106.1 | 86% | 0.864 | 55% | 0.547 | S | S | * | . | trans | -63.1 | 98.7 | 168.3 | -76.3 | -177.9 | 162.8 | 0 | 0 | 107.2 | S819 | E817-S819 PolarHBondContact O-N 2.72Å; E817-S819 VanDerWaalsContact O-N 3.14Å | ||
| 818 | T | 48.9 | Very low | 58.5 | Low | 59 Ų | 59 | 98.9 Ų | 98.9 | 36% | 0.362 | 51% | 0.508 | S | S | . | . | trans | -51.7 | 117.6 | 155 | 39.7 | 0 | 0 | 0 | 0 | 106.6 | R816 V820 | R816-T818 VanDerWaalsContact C-N 3.32Å; R816-T818 PolarHBondContact O-N 2.84Å; T818-V820 PolarHBondContact O-N 3.43Å | ||
| 819 | S | 58.6 | Low | 61.5 | Low | 84 Ų | 84 | 91.2 Ų | 91.2 | 59% | 0.587 | 47% | 0.473 | S | S | * | . | trans | -56.6 | 115.3 | 177.6 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | A761 E817 | A761-S819 PolarHBondContact N-O 3.24Å; E817-S819 PolarHBondContact O-N 2.72Å; E817-S819 VanDerWaalsContact O-N 3.14Å | ||
| 820 | V | 77.1 | Confident | 64.6 | Low | 81 Ų | 81 | 88.2 Ų | 88.2 | 49% | 0.491 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 110 | 175.2 | -176 | 0 | 0 | 0 | 0 | 107.1 | P758 T818 | P758-V820 HydrophobicContact CB-CG1 3.98Å; T818-V820 PolarHBondContact O-N 3.43Å |
| 821 | Q | 83.1 | Confident | 67.7 | Low | 119 Ų | 119 | 79.7 Ų | 79.7 | 56% | 0.556 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 118.3 | 172.8 | -170.8 | 175.3 | 7.7 | 0 | 0 | 109 | V759 V823 | V759-Q821 PolarHBondContact N-O 3.24Å; V759-Q821 PolarHBondContact O-N 2.89Å; Q821-V823 PolarHBondContact O-N 3.3Å |
| 822 | S | 84.9 | Confident | 70.9 | Confident | 55 Ų | 55 | 71 Ų | 71 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 106.4 | 172.8 | 164.6 | 0 | 0 | 0 | 0 | 109.7 | R756 P824 | R756-S822 WeakPolarHBondContact CB-OG 3.37Å; R756-S822 WeakPolarHBondContact CD-OG 3.22Å; S822-P824 WeakPolarHBondContact O-CD 3.32Å |
| 823 | V | 90.6 | Very high | 74.1 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 121.4 | 179.6 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | R756 L757 V759 Q821 Y825 K932 | R756-V823 WeakPolarHBondContact CA-O 3.44Å; L757-V823 PolarHBondContact N-O 2.92Å; L757-V823 PolarHBondContact O-N 3.02Å; V759-V823 HydrophobicContact CB-CG2 4.15Å; V759-V823 HydrophobicContact CG2-CB 4.16Å; V759-V823 HydrophobicContact CG2-CG2 3.51Å; Q821-V823 PolarHBondContact O-N 3.3Å; V823-Y825 HydrophobicContact CB-CE2 4.11Å; V823-Y825 HydrophobicContact CG1-CD2 4.1Å; V823-Y825 HydrophobicContact CG1-CE2 3.55Å; V823-K932 HydrophobicContact CG1-CD 4.12Å; V823-K932 HydrophobicContact CG1-CG 3.8Å |
| 824 | P | 92.7 | Very high | 77 | Confident | 23 Ų | 23 | 59 Ų | 59 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 139.4 | 177.4 | 30.1 | -32.1 | 0 | 0 | 0 | 112.3 | S822 Q933 | S822-P824 WeakPolarHBondContact O-CD 3.32Å; P824-Q933 HydrophobicContact CB-CB 4.26Å; P824-Q933 HydrophobicContact CG-CB 4.09Å; P824-Q933 PolarHBondContact O-N 2.77Å |
| 825 | Y | 94.1 | Very high | 79.6 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142.2 | -179.3 | -86.6 | -86.6 | 0 | 0 | 0 | 110.3 | A722 P723 L726 A754 L755 L757 V823 R931 K932 | A722-Y825 HydrophobicContact CB-CE2 4.48Å; A722-Y825 VanDerWaalsContact CB-OH 3.29Å; A722-Y825 WeakPolarHBondContact CB-OH 3.46Å; P723-Y825 PolarHBondContact O-OH 3.08Å; L726-Y825 HydrophobicContact CB-CD1 3.87Å; L726-Y825 HydrophobicContact CB-CE1 3.56Å; L726-Y825 HydrophobicContact CD2-CD2 4.43Å; L726-Y825 HydrophobicContact CD2-CE2 4.46Å; L726-Y825 HydrophobicContact CD2-CG 4.45Å; A754-Y825 CarbonylContact C-O 3.53Å; A754-Y825 WeakPolarHBondContact CA-O 3.4Å; L755-Y825 PolarHBondContact N-O 2.85Å; L755-Y825 WeakPolarHBondContact O-CB 3.46Å; L755-Y825 PolarHBondContact O-N 3Å; L757-Y825 HydrophobicContact CB-CD2 4.08Å; L757-Y825 HydrophobicContact CB-CE2 3.95Å; L757-Y825 HydrophobicContact CD2-CE2 4.16Å; V823-Y825 HydrophobicContact CB-CE2 4.11Å; V823-Y825 HydrophobicContact CG1-CD2 4.1Å; V823-Y825 HydrophobicContact CG1-CE2 3.55Å; Y825-R931 CarbonylContact C-O 3.56Å; Y825-R931 WeakPolarHBondContact CA-O 3.04Å; Y825-R931 VanDerWaalsContact CD1-C 3.44Å; Y825-K932 HydrophobicContact CD1-CB 4.22Å; Y825-K932 HydrophobicContact CE1-CB 3.68Å; Y825-K932 HydrophobicContact CE1-CG 4.33Å |
| 826 | M | 93.1 | Very high | 82.1 | Confident | 49 Ų | 49 | 47.8 Ų | 47.8 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.3 | 176.3 | -68.3 | -62.8 | -63.5 | 0 | 0 | 110.4 | A754 S828 I850 Y930 R931 | A754-M826 HydrophobicContact CB-SD 3.81Å; M826-S828 PolarHBondContact O-N 2.67Å; M826-I850 HydrophobicContact CB-CD1 4.41Å; M826-Y930 CarbonylContact O-C 3.58Å; M826-Y930 WeakPolarHBondContact O-CA 2.92Å; M826-R931 PolarHBondContact N-O 3.4Å; M826-R931 PolarHBondContact O-N 3.27Å |
| 827 | L | 93.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 126 | -179.3 | -176.8 | 68.5 | 0 | 0 | 0 | 110.2 | I751 P753 V830 R848 W897 V913 Y930 | I751-L827 HydrophobicContact CG2-CD1 4.08Å; I751-L827 HydrophobicContact CG2-CD2 3.92Å; P753-L827 PolarHBondContact O-N 2.97Å; L827-V830 HydrophobicContact CD1-CG2 3.87Å; L827-V830 HydrophobicContact CD2-CG2 3.88Å; L827-V830 HydrophobicContact CG-CG2 4.22Å; L827-R848 PolarHBondContact O-NE 3.07Å; L827-R848 PolarHBondContact O-NH2 3.3Å; L827-W897 HydrophobicContact CD2-CH2 3.79Å; L827-W897 HydrophobicContact CD2-CZ2 4.12Å; L827-W897 HydrophobicContact CG-CH2 3.94Å; L827-W897 HydrophobicContact CG-CZ2 4.42Å; L827-V913 HydrophobicContact CD2-CG1 4.43Å; L827-Y930 VanDerWaalsContact CA-CD1 3.49Å; L827-Y930 HydrophobicContact CB-CD1 4.05Å; L827-Y930 HydrophobicContact CB-CE1 3.74Å; L827-Y930 HydrophobicContact CD1-CD1 4.36Å; L827-Y930 HydrophobicContact CD1-CD2 4.13Å; L827-Y930 HydrophobicContact CD1-CE1 3.92Å; L827-Y930 HydrophobicContact CD1-CE2 3.68Å; L827-Y930 HydrophobicContact CD1-CG 4.44Å; L827-Y930 HydrophobicContact CG-CE1 4.44Å; L827-Y930 VanDerWaalsContact N-CD1 3.34Å |
| 828 | S | 93.2 | Very high | 86.7 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -43.2 | -178.5 | -170.1 | 0 | 0 | 0 | 0 | 112.2 | M826 R848 M929 | M826-S828 PolarHBondContact O-N 2.67Å; S828-R848 PolarHBondContact O-N 3.36Å; S828-M929 WeakPolarHBondContact CA-O 3.23Å; S828-M929 WeakPolarHBondContact CB-O 3.44Å; S828-M929 PolarHBondContact N-O 2.8Å |
| 829 | S | 95.1 | Very high | 88 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 159.9 | 178.9 | 69 | 0 | 0 | 0 | 0 | 112.1 | T462 Y846 M929 | T462-S829 WeakPolarHBondContact CG2-OG 3.46Å; S829-Y846 CarbonylContact C-O 3.53Å; S829-Y846 WeakPolarHBondContact CA-O 3.27Å; S829-Y846 WeakPolarHBondContact CB-O 3.48Å; S829-M929 PolarHBondContact N-O 3.4Å; S829-M929 PolarHBondContact O-N 3Å; S829-M929 VanDerWaalsContact OG-CB 3.24Å; S829-M929 WeakPolarHBondContact OG-CB 3.21Å |
| 830 | V | 96.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 120.4 | 176.9 | 177.7 | 0 | 0 | 0 | 0 | 108.5 | I751 L827 V832 S845 Y846 V913 I916 A925 L928 | I751-V830 HydrophobicContact CD1-CG1 4.35Å; L827-V830 HydrophobicContact CD1-CG2 3.87Å; L827-V830 HydrophobicContact CD2-CG2 3.88Å; L827-V830 HydrophobicContact CG-CG2 4.22Å; V830-V832 HydrophobicContact CG1-CG2 4.1Å; V830-S845 CarbonylContact O-C 3.55Å; V830-S845 WeakPolarHBondContact O-CA 3.2Å; V830-Y846 PolarHBondContact N-O 3.31Å; V830-Y846 PolarHBondContact O-N 2.93Å; V830-V913 HydrophobicContact CB-CG1 3.97Å; V830-V913 HydrophobicContact CG1-CG1 4.42Å; V830-V913 HydrophobicContact CG2-CG1 3.54Å; V830-I916 HydrophobicContact CG1-CD1 4.35Å; V830-A925 HydrophobicContact CG1-CB 3.73Å; V830-L928 HydrophobicContact CB-CD2 4.28Å; V830-L928 HydrophobicContact CG1-CD2 3.81Å; V830-L928 HydrophobicContact CG2-CD2 3.87Å |
| 831 | V | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 129.6 | 169.6 | -177 | 0 | 0 | 0 | 0 | 108.5 | I459 T462 Y843 Y926 V927 | I459-V831 HydrophobicContact CD1-CG2 4.27Å; T462-V831 WeakPolarHBondContact OG1-CG2 3.4Å; V831-Y843 HydrophobicContact CG1-CD1 4.05Å; V831-Y926 PolarHBondContact O-N 3.11Å; V831-V927 HydrophobicContact CB-CB 4.03Å; V831-V927 HydrophobicContact CG2-CB 4.21Å; V831-V927 PolarHBondContact N-O 3.31Å; V831-V927 PolarHBondContact O-N 3.45Å |
| 832 | V | 96.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.1 | -177.7 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | V830 Y843 Y844 Y846 I916 D923 | V830-V832 HydrophobicContact CG1-CG2 4.1Å; V832-Y843 WeakPolarHBondContact O-CA 3.36Å; V832-Y844 HydrophobicContact CB-CD1 4.38Å; V832-Y844 HydrophobicContact CB-CD2 4.07Å; V832-Y844 HydrophobicContact CB-CE1 3.99Å; V832-Y844 HydrophobicContact CB-CE2 3.66Å; V832-Y844 HydrophobicContact CB-CG 4.43Å; V832-Y844 HydrophobicContact CG1-CE1 3.89Å; V832-Y844 HydrophobicContact CG1-CE2 4.08Å; V832-Y844 WeakPolarHBondContact CG1-OH 3.48Å; V832-Y844 HydrophobicContact CG2-CD2 4.25Å; V832-Y844 HydrophobicContact CG2-CE2 3.72Å; V832-Y844 PolarHBondContact N-O 2.96Å; V832-Y844 PolarHBondContact O-N 2.54Å; V832-Y846 HydrophobicContact CG2-CD2 3.95Å; V832-Y846 HydrophobicContact CG2-CE2 3.83Å; V832-I916 HydrophobicContact CG1-CG2 4.01Å; V832-I916 HydrophobicContact CG2-CD1 3.66Å; V832-I916 HydrophobicContact CG2-CG2 4.46Å; V832-D923 HydrophobicContact CG1-CB 3.91Å |
| 833 | H | 95.8 | Very high | 90.8 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 7% | 0.069 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 114.9 | 167.1 | -179.2 | -118 | 0 | 0 | 0 | 109.5 | K744 G841 Y843 T924 | K744-H833 WeakPolarHBondContact CE-ND1 3.4Å; K744-H833 PolarHBondContact NZ-ND1 2.96Å; K744-H833 PolarHBondContact NZ-O 3.16Å; H833-G841 WeakPolarHBondContact NE2-CA 3.19Å; H833-Y843 HydrophobicContact CB-CD1 4.07Å; H833-Y843 HydrophobicContact CB-CE1 3.66Å; H833-Y843 AromaticContact CD2-CE1 3.62Å; H833-Y843 AromaticContact CD2-CE2 3.86Å; H833-Y843 AromaticContact CD2-CZ 3.49Å; H833-Y843 VanDerWaalsContact CD2-CZ 3.49Å; H833-Y843 AromaticContact CG-CE1 3.91Å; H833-T924 PolarHBondContact N-O 3.31Å; H833-T924 PolarHBondContact O-N 2.79Å; H833-T924 PolarHBondContact O-OG1 3.48Å |
| 834 | S | 93.4 | Very high | 91.1 | Very high | 31 Ų | 31 | 25.8 Ų | 25.8 | 22% | 0.217 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 115.9 | 172.3 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | G841 H842 D923 | S834-G841 CarbonylContact O-C 3.55Å; S834-G841 WeakPolarHBondContact O-CA 3.19Å; S834-H842 PolarHBondContact N-O 2.8Å; S834-H842 PolarHBondContact O-N 2.77Å; S834-D923 VanDerWaalsContact CB-OD1 3.24Å; S834-D923 WeakPolarHBondContact CB-OD1 3.49Å; S834-D923 PolarHBondContact OG-OD1 3.19Å |
| 835 | G | 86.6 | Confident | 91.3 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 12% | 0.124 | 14% | 0.144 | C | C | . | . | trans | 166.5 | 148.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | K744 K922 | K744-G835 VanDerWaalsContact CD-O 3.26Å; K744-G835 WeakPolarHBondContact CD-O 3.33Å; K744-G835 WeakPolarHBondContact CE-O 3.46Å; K744-G835 PolarHBondContact NZ-O 3.45Å; G835-K922 PolarHBondContact N-O 3.44Å | ||
| 836 | V | 83.7 | Confident | 91.3 | Very high | 65 Ų | 65 | 25.5 Ų | 25.5 | 39% | 0.394 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -82.1 | -23.2 | 176.7 | -71.2 | 0 | 0 | 0 | 0 | 113.1 | K922 | V836-K922 HydrophobicContact CG1-CB 4.4Å; V836-K922 HydrophobicContact CG1-CD 3.55Å; V836-K922 VanDerWaalsContact CG1-CE 3.43Å; V836-K922 HydrophobicContact CG1-CG 3.62Å |
| 837 | S | 83.6 | Confident | 91.3 | Very high | 31 Ų | 31 | 23.2 Ų | 23.2 | 22% | 0.217 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -116.3 | 166.9 | -176.8 | 110.8 | 0 | 0 | 0 | 0 | 110.9 | E839 | S837-E839 VanDerWaalsContact C-N 3.34Å; S837-E839 WeakPolarHBondContact CB-OE2 3.18Å; S837-E839 PolarHBondContact OG-N 3.48Å; S837-E839 VanDerWaalsContact OG-N 3.11Å; S837-E839 PolarHBondContact OG-OE2 3.18Å |
| 838 | S | 81.3 | Confident | 91 | Very high | 26 Ų | 26 | 25 Ų | 25 | 18% | 0.182 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -84.5 | -9.9 | 176.4 | 31.4 | 0 | 0 | 0 | 0 | 113.4 | R742 | R742-S838 WeakPolarHBondContact CG-OG 3.16Å; R742-S838 PolarHBondContact O-OG 2.69Å |
| 839 | E | 76.8 | Confident | 90.1 | Very high | 108 Ų | 108 | 26.7 Ų | 26.7 | 51% | 0.505 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -96.7 | -20.5 | -172.8 | -58.7 | 68 | -132.5 | 0 | 0 | 112.4 | S837 | S837-E839 VanDerWaalsContact C-N 3.34Å; S837-E839 WeakPolarHBondContact CB-OE2 3.18Å; S837-E839 PolarHBondContact OG-N 3.48Å; S837-E839 VanDerWaalsContact OG-N 3.11Å; S837-E839 PolarHBondContact OG-OE2 3.18Å |
| 840 | S | 83.9 | Confident | 88.8 | Confident | 64 Ų | 64 | 29.1 Ų | 29.1 | 45% | 0.448 | 16% | 0.164 | S | C | . | . | trans | -149 | 150.4 | 178.5 | 64.4 | 0 | 0 | 0 | 0 | 114.1 | Q522 | Q522-S840 VanDerWaalsContact OE1-CB 3.25Š| ||
| 841 | G | 88.8 | Confident | 86.9 | Confident | 17 Ų | 17 | 31.4 Ų | 31.4 | 18% | 0.175 | 18% | 0.176 | C | C | . | . | trans | 167.9 | -167.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q522 H833 S834 | Q522-G841 PolarHBondContact NE2-O 2.75Å; Q522-G841 PolarHBondContact OE1-O 2.84Å; H833-G841 WeakPolarHBondContact NE2-CA 3.19Å; S834-G841 CarbonylContact O-C 3.55Å; S834-G841 WeakPolarHBondContact O-CA 3.19Å | ||
| 842 | H | 94.6 | Very high | 84.3 | Confident | 57 Ų | 57 | 35.4 Ų | 35.4 | 26% | 0.264 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.9 | 178.2 | -176.5 | 60 | 0 | 0 | 0 | 110.6 | C454 S834 N901 D902 | C454-H842 WeakPolarHBondContact CB-CE1 3.43Å; C454-H842 WeakPolarHBondContact CB-ND1 3.49Å; C454-H842 PolarHBondContact SG-ND1 3.47Å; S834-H842 PolarHBondContact N-O 2.8Å; S834-H842 PolarHBondContact O-N 2.77Å; H842-N901 PolarHBondContact NE2-OD1 2.97Å; H842-D902 IonicContact CE1-OD2 3.92Å; H842-D902 PolarHBondContact CE1-OD2 2.85Å |
| 843 | Y | 96.4 | Very high | 81.4 | Confident | 20 Ų | 20 | 37 Ų | 37 | 8% | 0.078 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 136.8 | 176.1 | -68.4 | -82.5 | 0 | 0 | 0 | 111 | C454 S458 Q523 C525 V831 V832 H833 Y926 | C454-Y843 PolarHBondContact SG-N 3.04Å; S458-Y843 WeakPolarHBondContact OG-CB 3.28Å; S458-Y843 PolarHBondContact OG-O 2.95Å; Q523-Y843 VanDerWaalsContact O-CE2 3.28Å; Q523-Y843 WeakPolarHBondContact O-CE2 3.44Å; C525-Y843 HydrophobicContact CB-CD1 3.99Å; C525-Y843 HydrophobicContact CB-CD2 4.43Å; C525-Y843 HydrophobicContact CB-CE1 3.84Å; C525-Y843 HydrophobicContact CB-CE2 4.31Å; C525-Y843 HydrophobicContact CB-CG 4.27Å; C525-Y843 WeakPolarHBondContact SG-CE1 3.45Å; V831-Y843 HydrophobicContact CG1-CD1 4.05Å; V832-Y843 WeakPolarHBondContact O-CA 3.36Å; H833-Y843 HydrophobicContact CB-CD1 4.07Å; H833-Y843 HydrophobicContact CB-CE1 3.66Å; H833-Y843 AromaticContact CD2-CE1 3.62Å; H833-Y843 AromaticContact CD2-CE2 3.86Å; H833-Y843 AromaticContact CD2-CZ 3.49Å; H833-Y843 VanDerWaalsContact CD2-CZ 3.49Å; H833-Y843 AromaticContact CG-CE1 3.91Å; Y843-Y926 AromaticContact CE1-CD1 3.91Å; Y843-Y926 HydrophobicContact CE1-CD1 3.91Å; Y843-Y926 HydrophobicContact CE1-CE1 4.44Å |
| 844 | Y | 96.8 | Very high | 78.7 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 162.7 | 167 | 60.1 | -90.9 | 0 | 0 | 0 | 109.3 | S458 V832 Y846 L899 D923 | S458-Y844 WeakPolarHBondContact OG-CA 3.29Å; S458-Y844 PolarHBondContact OG-N 3.18Å; V832-Y844 HydrophobicContact CB-CD1 4.38Å; V832-Y844 HydrophobicContact CB-CD2 4.07Å; V832-Y844 HydrophobicContact CB-CE1 3.99Å; V832-Y844 HydrophobicContact CB-CE2 3.66Å; V832-Y844 HydrophobicContact CB-CG 4.43Å; V832-Y844 HydrophobicContact CG1-CE1 3.89Å; V832-Y844 HydrophobicContact CG1-CE2 4.08Å; V832-Y844 WeakPolarHBondContact CG1-OH 3.48Å; V832-Y844 HydrophobicContact CG2-CD2 4.25Å; V832-Y844 HydrophobicContact CG2-CE2 3.72Å; V832-Y844 PolarHBondContact N-O 2.96Å; V832-Y844 PolarHBondContact O-N 2.54Å; Y844-Y846 HydrophobicContact CD2-CE2 4.07Å; Y844-Y846 HydrophobicContact CE2-CD2 4.35Å; Y844-Y846 AromaticContact CE2-CE2 3.49Å; Y844-Y846 HydrophobicContact CE2-CE2 3.49Å; Y844-Y846 VanDerWaalsContact CE2-CE2 3.49Å; Y844-Y846 AromaticContact CE2-CZ 3.81Å; Y844-L899 HydrophobicContact CD2-CD1 3.53Å; Y844-L899 HydrophobicContact CE2-CD1 4.17Å; Y844-L899 HydrophobicContact CG-CD1 4.34Å; Y844-D923 WeakPolarHBondContact CE1-OD2 3.4Å; Y844-D923 PolarHBondContact OH-OD2 3.37Å |
| 845 | S | 96.4 | Very high | 75.6 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 140.5 | -176.7 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | S458 V830 F900 | S458-S845 PolarHBondContact O-OG 3.14Å; V830-S845 CarbonylContact O-C 3.55Å; V830-S845 WeakPolarHBondContact O-CA 3.2Å; S845-F900 PolarHBondContact N-O 3.26Å; S845-F900 PolarHBondContact O-N 2.82Å |
| 846 | Y | 94.9 | Very high | 72.9 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 139.8 | 165.2 | -64.2 | -79.7 | 0 | 0 | 0 | 109.7 | S829 V830 V832 Y844 L898 L899 T908 V913 I916 | S829-Y846 CarbonylContact C-O 3.53Å; S829-Y846 WeakPolarHBondContact CA-O 3.27Å; S829-Y846 WeakPolarHBondContact CB-O 3.48Å; V830-Y846 PolarHBondContact N-O 3.31Å; V830-Y846 PolarHBondContact O-N 2.93Å; V832-Y846 HydrophobicContact CG2-CD2 3.95Å; V832-Y846 HydrophobicContact CG2-CE2 3.83Å; Y844-Y846 HydrophobicContact CD2-CE2 4.07Å; Y844-Y846 HydrophobicContact CE2-CD2 4.35Å; Y844-Y846 AromaticContact CE2-CE2 3.49Å; Y844-Y846 HydrophobicContact CE2-CE2 3.49Å; Y844-Y846 VanDerWaalsContact CE2-CE2 3.49Å; Y844-Y846 AromaticContact CE2-CZ 3.81Å; Y846-L898 CarbonylContact C-O 3.6Å; Y846-L898 VanDerWaalsContact CA-O 3.3Å; Y846-L898 WeakPolarHBondContact CA-O 3.43Å; Y846-L899 HydrophobicContact CD1-CB 4.06Å; Y846-L899 HydrophobicContact CD1-CD1 4.05Å; Y846-L899 HydrophobicContact CE1-CB 3.91Å; Y846-L899 HydrophobicContact CE1-CD1 3.7Å; Y846-L899 HydrophobicContact CE1-CD2 4.38Å; Y846-L899 HydrophobicContact CE1-CG 4.2Å; Y846-T908 HydrophobicContact CD1-CG2 3.66Å; Y846-T908 HydrophobicContact CE1-CG2 3.88Å; Y846-V913 HydrophobicContact CD1-CG2 3.77Å; Y846-V913 HydrophobicContact CD2-CG1 4.48Å; Y846-V913 HydrophobicContact CD2-CG2 4.16Å; Y846-V913 HydrophobicContact CE1-CG2 4.32Å; Y846-V913 HydrophobicContact CG-CG2 3.67Å; Y846-I916 HydrophobicContact CD2-CD1 3.92Å; Y846-I916 HydrophobicContact CE2-CD1 3.5Å; Y846-I916 HydrophobicContact CE2-CG1 3.98Å |
| 847 | G | 92.1 | Very high | 70.2 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 148.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L898 | G847-L898 PolarHBondContact N-O 3.33Å; G847-L898 PolarHBondContact O-N 2.87Å |
| 848 | R | 88.3 | Confident | 67.6 | Low | 37 Ų | 37 | 61.5 Ų | 61.5 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.7 | 169 | 62.4 | 164.1 | 176 | -173.4 | -3.9 | 110.9 | L827 S828 I850 D896 W897 | L827-R848 PolarHBondContact O-NE 3.07Å; L827-R848 PolarHBondContact O-NH2 3.3Å; S828-R848 PolarHBondContact O-N 3.36Å; R848-I850 HydrophobicContact CG-CG1 4.19Å; R848-D896 WeakPolarHBondContact CA-O 3.38Å; R848-D896 WeakPolarHBondContact CB-O 3.41Å; R848-W897 HydrophobicContact CB-CD2 3.81Å; R848-W897 HydrophobicContact CB-CE3 4.14Å; R848-W897 HydrophobicContact CB-CG 4.11Å; R848-W897 HydrophobicContact CB-CZ2 4.29Å; R848-W897 HydrophobicContact CG-CD2 4.16Å; R848-W897 HydrophobicContact CG-CE3 4.43Å; R848-W897 HydrophobicContact CG-CH2 4.03Å; R848-W897 HydrophobicContact CG-CZ2 3.7Å; R848-W897 HydrophobicContact CG-CZ3 4.38Å |
| 849 | N | 74.4 | Confident | 64.7 | Low | 39 Ų | 39 | 65.7 Ų | 65.7 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | trans | -86.8 | 112.6 | 170.3 | -168.6 | -3.7 | 0 | 0 | 0 | 109.3 | T467 N851 | T467-N849 WeakPolarHBondContact CG2-OD1 3.48Å; N849-N851 VanDerWaalsContact C-N 3.25Å; N849-N851 PolarHBondContact ND2-O 2.97Å; N849-N851 PolarHBondContact O-N 3.43Å; N849-N851 PolarHBondContact OD1-N 3.28Å; N849-N851 VanDerWaalsContact OD1-N 3.08Å; N849-N851 PolarHBondContact OD1-O 2.86Å | ||
| 850 | I | 67.6 | Low | 62.3 | Low | 52 Ų | 52 | 67 Ų | 67 | 27% | 0.267 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -78 | -15.1 | -179.2 | -61.2 | 173.3 | 0 | 0 | 0 | 111.1 | M826 R848 R931 | M826-I850 HydrophobicContact CB-CD1 4.41Å; R848-I850 HydrophobicContact CG-CG1 4.19Å; I850-R931 HydrophobicContact CD1-CB 3.81Å |
| 851 | N | 55.9 | Low | 59.5 | Low | 47 Ų | 47 | 67.2 Ų | 67.2 | 25% | 0.251 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -119.1 | 109.1 | 178.6 | -65.7 | -23.6 | 0 | 0 | 0 | 110.1 | T467 N849 A853 R931 | T467-N851 PolarHBondContact OG1-ND2 2.67Å; N849-N851 VanDerWaalsContact C-N 3.25Å; N849-N851 PolarHBondContact ND2-O 2.97Å; N849-N851 PolarHBondContact O-N 3.43Å; N849-N851 PolarHBondContact OD1-N 3.28Å; N849-N851 VanDerWaalsContact OD1-N 3.08Å; N849-N851 PolarHBondContact OD1-O 2.86Å; N851-A853 VanDerWaalsContact C-N 3.35Å; N851-A853 PolarHBondContact O-N 3.23Å; N851-R931 VanDerWaalsContact CG-NH1 3.29Å; N851-R931 VanDerWaalsContact ND2-CZ 3.33Å; N851-R931 PolarHBondContact ND2-NH1 3.44Å; N851-R931 PolarHBondContact ND2-NH2 3.32Å; N851-R931 PolarHBondContact OD1-NH1 3.05Å |
| 852 | G | 42.5 | Very low | 56.4 | Low | 85 Ų | 85 | 74.6 Ų | 74.6 | 88% | 0.876 | 46% | 0.455 | S | S | * | . | trans | -61.7 | 85.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 853 | A | 36.4 | Very low | 53 | Low | 33 Ų | 33 | 77.2 Ų | 77.2 | 27% | 0.273 | 48% | 0.48 | S | S | . | . | trans | -129.7 | 15.8 | -171 | 0 | 0 | 0 | 0 | 0 | 115.1 | N851 | N851-A853 VanDerWaalsContact C-N 3.35Å; N851-A853 PolarHBondContact O-N 3.23Å | ||
| 854 | D | 37.9 | Very low | 49.8 | Very low | 80 Ų | 80 | 82 Ų | 82 | 43% | 0.428 | 51% | 0.513 | S | S | . | . | trans | -114.6 | 89 | 170.5 | -78.9 | -34.3 | 0 | 0 | 0 | 110.5 | R444 | R444-D854 IonicContact CZ-OD2 2.75Å; R444-D854 IonicContact NH1-OD2 2.67Å; R444-D854 PolarHBondContact NH1-OD2 3.21Å; R444-D854 IonicContact NH2-OD2 2.84Å; R444-D854 PolarHBondContact NH2-OD2 3.16Å | ||
| 855 | G | 29.2 | Very low | 46.3 | Very low | 80 Ų | 80 | 88 Ų | 88 | 83% | 0.825 | 55% | 0.552 | S | S | * | * | trans | -81.7 | 105.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 856 | T | 30 | Very low | 42.8 | Very low | 135 Ų | 135 | 97.4 Ų | 97.4 | 83% | 0.828 | 59% | 0.592 | S | S | * | * | trans | -88.6 | 116 | 162.1 | 11.4 | 0 | 0 | 0 | 0 | 108.6 | H858 | T856-H858 PolarHBondContact O-N 3.42Š| ||
| 857 | Q | 27.2 | Very low | 39.5 | Very low | 189 Ų | 189 | 105.1 Ų | 105.1 | 88% | 0.883 | 63% | 0.629 | S | S | * | * | trans | -63.2 | 119.4 | 175.2 | -66.7 | 176 | -8.3 | 0 | 0 | 110.3 | ||||
| 858 | H | 27.7 | Very low | 36.2 | Very low | 184 Ų | 184 | 112.7 Ų | 112.7 | 85% | 0.852 | 67% | 0.669 | S | S | * | * | trans | -123.2 | 114 | 147.8 | -92.3 | -72.3 | 0 | 0 | 0 | 108.5 | T856 V860 | T856-H858 PolarHBondContact O-N 3.42Å; H858-V860 PolarHBondContact O-N 2.89Å | ||
| 859 | S | 21.9 | Very low | 33 | Very low | 115 Ų | 115 | 116 Ų | 116 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -65.1 | 119.5 | 168.4 | 124.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 860 | V | 26.1 | Very low | 30.6 | Very low | 135 Ų | 135 | 118.3 Ų | 118.3 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -126.8 | 109.7 | 148.7 | 179.8 | 0 | 0 | 0 | 0 | 105.8 | H858 | H858-V860 PolarHBondContact O-N 2.89Š| ||
| 861 | G | 25 | Very low | 28.5 | Very low | 68 Ų | 68 | 120.7 Ų | 120.7 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -69.3 | 132.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 862 | L | 23.8 | Very low | 27 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | trans | -141.5 | 111.6 | 154.3 | -88.9 | 163 | 0 | 0 | 0 | 107.2 | ||||
| 863 | S | 22.1 | Very low | 26.1 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -81.1 | 162.6 | 166.5 | 51.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 864 | P | 30.4 | Very low | 25.5 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -102.6 | 146.8 | -143.4 | 37 | -31.9 | 0 | 0 | 0 | 113 | ||||
| 865 | V | 22.9 | Very low | 24.8 | Very low | 147 Ų | 147 | 135 Ų | 135 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -136.5 | 135.2 | 161.2 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 866 | K | 23.2 | Very low | 24.5 | Very low | 197 Ų | 197 | 137 Ų | 137 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -62.3 | 158.4 | -176.1 | -68.7 | 169.2 | 172 | 177.9 | 0 | 113.4 | ||||
| 867 | Q | 24.3 | Very low | 24.2 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -47.5 | 138.6 | 159 | -73.3 | 166.6 | -41.5 | 0 | 0 | 111.6 | ||||
| 868 | D | 22.7 | Very low | 24 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | -166 | 132.1 | 128.2 | -93.8 | -25 | 0 | 0 | 0 | 113.4 | |||||
| 869 | S | 22.4 | Very low | 23.7 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | 23.6 | 132.7 | 147.4 | 62.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 870 | A | 23.8 | Very low | 23.6 | Very low | 88 Ų | 88 | 131.6 Ų | 131.6 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | 80.5 | 119.9 | 125.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 871 | S | 22.3 | Very low | 23.5 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | 48 | 125.6 | 133.6 | 65.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 872 | E | 25.1 | Very low | 23.5 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | 150.2 | 113.6 | 125.9 | -83.2 | -178.2 | 168.4 | 0 | 0 | 111.4 | |||||
| 873 | Q | 23.1 | Very low | 23.6 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | 54.5 | 108.3 | 109.3 | -69.6 | -172.3 | 1.6 | 0 | 0 | 114.4 | |||||
| 874 | A | 23.7 | Very low | 23.6 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | 134 | 150.1 | 83.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | |||||
| 875 | A | 24.4 | Very low | 23.3 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | cis | -162.7 | 157 | 1.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 876 | C | 22.3 | Very low | 23.4 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | 42.3 | 130.4 | 149 | -67.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 877 | S | 22.9 | Very low | 23.6 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | -167.7 | 131.9 | 70.4 | -53.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 878 | L | 23.3 | Very low | 24 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | 35.3 | 143.4 | 151.3 | -70.7 | 102.5 | 0 | 0 | 0 | 122.7 | ||||
| 879 | C | 21.2 | Very low | 24.1 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | cis | 178.1 | 120.2 | -19.3 | -98.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 880 | T | 21.1 | Very low | 24.4 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | trans | -147.6 | 139.6 | 157.6 | 37.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 881 | S | 23.4 | Very low | 24.7 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | 71.7 | 117.6 | 164.6 | 58.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 882 | E | 24.3 | Very low | 25.2 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 95% | 0.953 | 83% | 0.825 | S | S | * | * | trans | -92.5 | 158.9 | 161.2 | -75.1 | -169.5 | 152.7 | 0 | 0 | 112.1 | ||||
| 883 | Q | 25.8 | Very low | 25.7 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -107.1 | 171.9 | -153.7 | -68.1 | 168.7 | -32.9 | 0 | 0 | 115.4 | ||||
| 884 | G | 23.1 | Very low | 26.6 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | trans | 145 | 119.8 | 145.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 885 | D | 24.1 | Very low | 28 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | cis | -153.7 | 143.7 | 11.2 | -88.3 | -39 | 0 | 0 | 0 | 108.9 | ||||
| 886 | S | 24.6 | Very low | 30.4 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -129.3 | 121.8 | 177.3 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 887 | L | 26.6 | Very low | 33.6 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -86.6 | 155.8 | 161.4 | -97 | 98.7 | 0 | 0 | 0 | 111 | ||||
| 888 | P | 33 | Very low | 36.9 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | trans | -88.2 | 125.4 | -158.9 | 33.4 | -32.5 | 0 | 0 | 0 | 114.7 | ||||
| 889 | N | 26.1 | Very low | 40.2 | Very low | 162 Ų | 162 | 122.9 Ų | 122.9 | 87% | 0.866 | 71% | 0.705 | S | S | * | * | trans | 34.8 | 80.3 | 135 | -131.2 | 10 | 0 | 0 | 0 | 119.4 | ||||
| 890 | T | 27.4 | Very low | 43.7 | Very low | 150 Ų | 150 | 117.8 Ų | 117.8 | 92% | 0.92 | 67% | 0.67 | S | S | * | * | trans | -95.4 | 84.1 | 157.2 | 44 | 0 | 0 | 0 | 0 | 110 | ||||
| 891 | G | 30.1 | Very low | 47.2 | Very low | 60 Ų | 60 | 114.2 Ų | 114.2 | 62% | 0.619 | 65% | 0.646 | S | S | * | * | trans | -120.5 | 1.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 892 | L | 32.8 | Very low | 50.6 | Low | 177 Ų | 177 | 109.6 Ų | 109.6 | 93% | 0.927 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -127.3 | 1.2 | -165.1 | -82.4 | 162 | 0 | 0 | 0 | 117.4 | ||
| 893 | E | 36.9 | Very low | 53.7 | Low | 187 Ų | 187 | 102.9 Ų | 102.9 | 87% | 0.874 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -97.3 | 1 | -178.6 | -67.2 | -169.5 | 158.9 | 0 | 0 | 115.2 | R895 | E893-R895 PolarHBondContact O-N 2.96Š|
| 894 | A | 41.1 | Very low | 56.7 | Low | 76 Ų | 76 | 101 Ų | 101 | 63% | 0.628 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 12.6 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 895 | R | 53.9 | Low | 59.9 | Low | 183 Ų | 183 | 98.1 Ų | 98.1 | 69% | 0.691 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | 19.9 | -169.6 | -68.4 | -168.6 | 176.9 | -174.7 | -1.5 | 117.2 | E893 Y907 | E893-R895 PolarHBondContact O-N 2.96Å; R895-Y907 HydrophobicContact CB-CD1 4.26Å; R895-Y907 HydrophobicContact CB-CE1 4.25Å |
| 896 | D | 74.3 | Confident | 62.9 | Low | 116 Ų | 116 | 93.1 Ų | 93.1 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -90 | -18.2 | -173.8 | -71.6 | -7.5 | 0 | 0 | 0 | 115.3 | R848 | R848-D896 WeakPolarHBondContact CA-O 3.38Å; R848-D896 WeakPolarHBondContact CB-O 3.41Å |
| 897 | W | 88.7 | Confident | 65.9 | Low | 8 Ų | 8 | 91.9 Ų | 91.9 | 3% | 0.03 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 143.2 | -178 | -78.1 | 84.2 | 0 | 0 | 0 | 112.1 | L827 R848 T908 L910 V913 | L827-W897 HydrophobicContact CD2-CH2 3.79Å; L827-W897 HydrophobicContact CD2-CZ2 4.12Å; L827-W897 HydrophobicContact CG-CH2 3.94Å; L827-W897 HydrophobicContact CG-CZ2 4.42Å; R848-W897 HydrophobicContact CB-CD2 3.81Å; R848-W897 HydrophobicContact CB-CE3 4.14Å; R848-W897 HydrophobicContact CB-CG 4.11Å; R848-W897 HydrophobicContact CB-CZ2 4.29Å; R848-W897 HydrophobicContact CG-CD2 4.16Å; R848-W897 HydrophobicContact CG-CE3 4.43Å; R848-W897 HydrophobicContact CG-CH2 4.03Å; R848-W897 HydrophobicContact CG-CZ2 3.7Å; R848-W897 HydrophobicContact CG-CZ3 4.38Å; W897-T908 HydrophobicContact CB-CG2 3.66Å; W897-T908 WeakPolarHBondContact CB-O 3.35Å; W897-T908 PolarHBondContact O-N 2.86Å; W897-L910 HydrophobicContact CZ2-CD1 3.64Å; W897-V913 HydrophobicContact CD2-CG2 4.18Å; W897-V913 HydrophobicContact CE3-CG2 3.83Å; W897-V913 HydrophobicContact CZ3-CG1 4.49Å; W897-V913 HydrophobicContact CZ3-CG2 4.06Å |
| 898 | L | 92.1 | Very high | 68.8 | Low | 13 Ų | 13 | 84.9 Ų | 84.9 | 7% | 0.068 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.8 | 178.3 | -62.5 | 167.5 | 0 | 0 | 0 | 109.5 | T442 R444 M465 Y846 G847 F900 V905 T906 Y907 | T442-L898 HydrophobicContact CG2-CD2 3.55Å; R444-L898 HydrophobicContact CG-CD1 3.82Å; M465-L898 HydrophobicContact SD-CD1 4.38Å; Y846-L898 CarbonylContact C-O 3.6Å; Y846-L898 VanDerWaalsContact CA-O 3.3Å; Y846-L898 WeakPolarHBondContact CA-O 3.43Å; G847-L898 PolarHBondContact N-O 3.33Å; G847-L898 PolarHBondContact O-N 2.87Å; L898-F900 HydrophobicContact CB-CD2 4.34Å; L898-F900 HydrophobicContact CB-CE2 3.61Å; L898-F900 HydrophobicContact CB-CZ 3.8Å; L898-F900 HydrophobicContact CD1-CE2 4.36Å; L898-F900 HydrophobicContact CD1-CZ 3.82Å; L898-F900 HydrophobicContact CG-CZ 4.49Å; L898-V905 HydrophobicContact CB-CG1 4.49Å; L898-V905 HydrophobicContact CD2-CG1 4.46Å; L898-T906 CarbonylContact C-O 3.49Å; L898-T906 WeakPolarHBondContact CA-O 3.17Å; L898-Y907 HydrophobicContact CD2-CD1 3.8Å; L898-Y907 HydrophobicContact CD2-CE1 3.91Å |
| 899 | L | 93.4 | Very high | 71.3 | Confident | 34 Ų | 34 | 81.5 Ų | 81.5 | 18% | 0.178 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.7 | 168.1 | 168.3 | 60.8 | 0 | 0 | 0 | 108.6 | Y844 Y846 V905 T906 T908 | Y844-L899 HydrophobicContact CD2-CD1 3.53Å; Y844-L899 HydrophobicContact CE2-CD1 4.17Å; Y844-L899 HydrophobicContact CG-CD1 4.34Å; Y846-L899 HydrophobicContact CD1-CB 4.06Å; Y846-L899 HydrophobicContact CD1-CD1 4.05Å; Y846-L899 HydrophobicContact CE1-CB 3.91Å; Y846-L899 HydrophobicContact CE1-CD1 3.7Å; Y846-L899 HydrophobicContact CE1-CD2 4.38Å; Y846-L899 HydrophobicContact CE1-CG 4.2Å; L899-V905 WeakPolarHBondContact O-CA 3.47Å; L899-T906 PolarHBondContact N-O 3.45Å; L899-T906 PolarHBondContact O-N 3.47Å; L899-T908 HydrophobicContact CB-CG2 4.17Å |
| 900 | F | 94.4 | Very high | 73.9 | Confident | 3 Ų | 3 | 76.2 Ų | 76.2 | 1% | 0.013 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 111.3 | 173.7 | -56.6 | -92 | 0 | 0 | 0 | 109 | R444 Q461 M465 S845 L898 V905 | R444-F900 HydrophobicContact CB-CE1 4.44Å; Q461-F900 HydrophobicContact CB-CB 4.04Å; Q461-F900 HydrophobicContact CB-CD1 4.06Å; Q461-F900 HydrophobicContact CB-CD2 4.32Å; Q461-F900 HydrophobicContact CB-CG 3.89Å; Q461-F900 VanDerWaalsContact CD-CD1 3.43Å; Q461-F900 HydrophobicContact CG-CB 3.97Å; Q461-F900 HydrophobicContact CG-CD1 3.86Å; Q461-F900 HydrophobicContact CG-CG 4.02Å; M465-F900 HydrophobicContact CE-CZ 3.95Å; M465-F900 HydrophobicContact CG-CE2 3.79Å; M465-F900 HydrophobicContact CG-CZ 3.8Å; M465-F900 HydrophobicContact SD-CE2 4.11Å; M465-F900 HydrophobicContact SD-CZ 3.68Å; S845-F900 PolarHBondContact N-O 3.26Å; S845-F900 PolarHBondContact O-N 2.82Å; L898-F900 HydrophobicContact CB-CD2 4.34Å; L898-F900 HydrophobicContact CB-CE2 3.61Å; L898-F900 HydrophobicContact CB-CZ 3.8Å; L898-F900 HydrophobicContact CD1-CE2 4.36Å; L898-F900 HydrophobicContact CD1-CZ 3.82Å; L898-F900 HydrophobicContact CG-CZ 4.49Å; F900-V905 HydrophobicContact CD1-CB 4.44Å; F900-V905 HydrophobicContact CD1-CG1 3.79Å; F900-V905 HydrophobicContact CD1-CG2 3.82Å; F900-V905 HydrophobicContact CE1-CG1 3.73Å; F900-V905 HydrophobicContact CE1-CG2 4.24Å; F900-V905 HydrophobicContact CG-CG1 4.49Å; F900-V905 HydrophobicContact CZ-CG1 4.38Å |
| 901 | N | 94.1 | Very high | 76.3 | Confident | 62 Ų | 62 | 75.5 Ų | 75.5 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 88.4 | 174.5 | -173.3 | 4.4 | 0 | 0 | 0 | 108.8 | H842 S903 R904 | H842-N901 PolarHBondContact NE2-OD1 2.97Å; N901-S903 PolarHBondContact O-N 3.49Å; N901-S903 VanDerWaalsContact O-N 3.14Å; N901-R904 PolarHBondContact N-O 3.4Å; N901-R904 PolarHBondContact O-N 3.44Å |
| 902 | D | 94.9 | Very high | 78.6 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 12% | 0.118 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | -115.6 | -173.9 | -67.2 | -34.3 | 0 | 0 | 0 | 112.1 | G446 L447 N449 N457 H842 R904 | G446-D902 CarbonylContact C-O 3.5Å; G446-D902 VanDerWaalsContact CA-O 3.22Å; G446-D902 WeakPolarHBondContact CA-O 3.27Å; L447-D902 PolarHBondContact N-O 3.48Å; L447-D902 CarbonylContact O-C 3.58Å; L447-D902 WeakPolarHBondContact O-CA 3.1Å; L447-D902 WeakPolarHBondContact O-CB 3.29Å; N449-D902 HydrophobicContact CB-CB 4.25Å; N449-D902 WeakPolarHBondContact CB-OD2 3.39Å; N449-D902 PolarHBondContact ND2-OD2 3.22Å; N457-D902 PolarHBondContact ND2-OD1 3.42Å; H842-D902 IonicContact CE1-OD2 3.92Å; H842-D902 PolarHBondContact CE1-OD2 2.85Å; D902-R904 PolarHBondContact O-N 3.4Å |
| 903 | S | 90.5 | Very high | 80.8 | Confident | 62 Ų | 62 | 65.7 Ų | 65.7 | 43% | 0.434 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13.9 | -175.7 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | L447 N901 | L447-S903 PolarHBondContact O-N 2.87Å; L447-S903 VanDerWaalsContact O-N 3.09Å; N901-S903 PolarHBondContact O-N 3.49Å; N901-S903 VanDerWaalsContact O-N 3.14Å |
| 904 | R | 88.2 | Confident | 82.8 | Confident | 162 Ų | 162 | 59.9 Ų | 59.9 | 61% | 0.611 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.3 | -176.8 | -61.8 | -173.9 | -179.4 | -148.8 | 1.1 | 110.7 | N901 D902 | N901-R904 PolarHBondContact N-O 3.4Å; N901-R904 PolarHBondContact O-N 3.44Å; D902-R904 PolarHBondContact O-N 3.4Å |
| 905 | V | 90.1 | Very high | 84.4 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.036 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.4 | 171.4 | -168.6 | 0 | 0 | 0 | 0 | 108.7 | S440 T442 R444 L898 L899 F900 | S440-V905 WeakPolarHBondContact CB-O 3.44Å; S440-V905 PolarHBondContact OG-O 3.41Å; T442-V905 HydrophobicContact CG2-CG1 4.4Å; R444-V905 HydrophobicContact CB-CB 4.35Å; R444-V905 HydrophobicContact CB-CG1 3.86Å; R444-V905 HydrophobicContact CB-CG2 4.43Å; L898-V905 HydrophobicContact CB-CG1 4.49Å; L898-V905 HydrophobicContact CD2-CG1 4.46Å; L899-V905 WeakPolarHBondContact O-CA 3.47Å; F900-V905 HydrophobicContact CD1-CB 4.44Å; F900-V905 HydrophobicContact CD1-CG1 3.79Å; F900-V905 HydrophobicContact CD1-CG2 3.82Å; F900-V905 HydrophobicContact CE1-CG1 3.73Å; F900-V905 HydrophobicContact CE1-CG2 4.24Å; F900-V905 HydrophobicContact CG-CG1 4.49Å; F900-V905 HydrophobicContact CZ-CG1 4.38Å |
| 906 | T | 88.4 | Confident | 85.8 | Confident | 67 Ų | 67 | 50.9 Ų | 50.9 | 41% | 0.411 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.8 | -175.3 | 52.6 | 0 | 0 | 0 | 0 | 111.3 | L898 L899 | L898-T906 CarbonylContact C-O 3.49Å; L898-T906 WeakPolarHBondContact CA-O 3.17Å; L899-T906 PolarHBondContact N-O 3.45Å; L899-T906 PolarHBondContact O-N 3.47Å |
| 907 | Y | 87.6 | Confident | 85.9 | Confident | 95 Ų | 95 | 46 Ų | 46 | 37% | 0.373 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 146.5 | 170.5 | -73 | -69.9 | 0 | 0 | 0 | 110.7 | T442 R895 L898 | T442-Y907 HydrophobicContact CG2-CD1 4.18Å; T442-Y907 HydrophobicContact CG2-CD2 3.61Å; T442-Y907 HydrophobicContact CG2-CE1 4.21Å; T442-Y907 HydrophobicContact CG2-CE2 3.64Å; T442-Y907 HydrophobicContact CG2-CG 3.89Å; R895-Y907 HydrophobicContact CB-CD1 4.26Å; R895-Y907 HydrophobicContact CB-CE1 4.25Å; L898-Y907 HydrophobicContact CD2-CD1 3.8Å; L898-Y907 HydrophobicContact CD2-CE1 3.91Å |
| 908 | T | 87.3 | Confident | 85.2 | Confident | 24 Ų | 24 | 50.5 Ų | 50.5 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -176.4 | 176.3 | -167.6 | 0 | 0 | 0 | 0 | 110.4 | Y846 W897 L899 S912 | Y846-T908 HydrophobicContact CD1-CG2 3.66Å; Y846-T908 HydrophobicContact CE1-CG2 3.88Å; W897-T908 HydrophobicContact CB-CG2 3.66Å; W897-T908 WeakPolarHBondContact CB-O 3.35Å; W897-T908 PolarHBondContact O-N 2.86Å; L899-T908 HydrophobicContact CB-CG2 4.17Å; T908-S912 WeakPolarHBondContact OG1-CB 3.49Å |
| 909 | S | 84.9 | Confident | 84.3 | Confident | 43 Ų | 43 | 55.9 Ų | 55.9 | 30% | 0.301 | 28% | 0.278 | S | S | . | . | trans | -123.2 | 153.3 | -176.2 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | Q911 S912 V913 | S909-Q911 PolarHBondContact O-N 3.15Å; S909-S912 WeakPolarHBondContact O-CB 3.43Å; S909-S912 PolarHBondContact O-N 3.41Å; S909-S912 PolarHBondContact OG-N 3.42Å; S909-S912 PolarHBondContact OG-OG 2.87Å; S909-V913 PolarHBondContact O-N 3.23Å | ||
| 910 | L | 79.8 | Confident | 83.8 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54.7 | -37.1 | 173 | 179.3 | 65.8 | 0 | 0 | 0 | 111.8 | P753 W897 S912 V913 Q914 | P753-L910 HydrophobicContact CB-CD1 4.41Å; P753-L910 HydrophobicContact CB-CD2 4Å; W897-L910 HydrophobicContact CZ2-CD1 3.64Å; L910-S912 VanDerWaalsContact C-N 3.26Å; L910-S912 PolarHBondContact O-N 2.88Å; L910-V913 WeakPolarHBondContact O-CB 3.29Å; L910-V913 PolarHBondContact O-N 2.92Å; L910-Q914 HydrophobicContact CD1-CG 4.42Å; L910-Q914 HydrophobicContact CG-CG 4.43Å; L910-Q914 WeakPolarHBondContact O-CG 3.42Å; L910-Q914 PolarHBondContact O-N 3.39Å |
| 911 | Q | 79.3 | Confident | 83.3 | Confident | 136 Ų | 136 | 60.6 Ų | 60.6 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.7 | -35.1 | 177.4 | -168.8 | 175.8 | 19.2 | 0 | 0 | 112.2 | S909 V913 Q914 N915 | S909-Q911 PolarHBondContact O-N 3.15Å; Q911-V913 VanDerWaalsContact C-N 3.31Å; Q911-Q914 PolarHBondContact O-N 3.34Å; Q911-N915 WeakPolarHBondContact O-CB 3.46Å; Q911-N915 PolarHBondContact O-N 3.5Å; Q911-N915 VanDerWaalsContact O-N 3.1Å |
| 912 | S | 77.7 | Confident | 82.9 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.6 | -35.3 | 174.9 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | T908 S909 L910 I916 | T908-S912 WeakPolarHBondContact OG1-CB 3.49Å; S909-S912 WeakPolarHBondContact O-CB 3.43Å; S909-S912 PolarHBondContact O-N 3.41Å; S909-S912 PolarHBondContact OG-N 3.42Å; S909-S912 PolarHBondContact OG-OG 2.87Å; L910-S912 VanDerWaalsContact C-N 3.26Å; L910-S912 PolarHBondContact O-N 2.88Å; S912-I916 WeakPolarHBondContact O-CG1 3.36Å; S912-I916 PolarHBondContact O-N 3.41Å |
| 913 | V | 78.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.2 | -36.6 | 177 | -176.2 | 0 | 0 | 0 | 0 | 112 | L827 V830 Y846 W897 S909 L910 Q911 I916 | L827-V913 HydrophobicContact CD2-CG1 4.43Å; V830-V913 HydrophobicContact CB-CG1 3.97Å; V830-V913 HydrophobicContact CG1-CG1 4.42Å; V830-V913 HydrophobicContact CG2-CG1 3.54Å; Y846-V913 HydrophobicContact CD1-CG2 3.77Å; Y846-V913 HydrophobicContact CD2-CG1 4.48Å; Y846-V913 HydrophobicContact CD2-CG2 4.16Å; Y846-V913 HydrophobicContact CE1-CG2 4.32Å; Y846-V913 HydrophobicContact CG-CG2 3.67Å; W897-V913 HydrophobicContact CD2-CG2 4.18Å; W897-V913 HydrophobicContact CE3-CG2 3.83Å; W897-V913 HydrophobicContact CZ3-CG1 4.49Å; W897-V913 HydrophobicContact CZ3-CG2 4.06Å; S909-V913 PolarHBondContact O-N 3.23Å; L910-V913 WeakPolarHBondContact O-CB 3.29Å; L910-V913 PolarHBondContact O-N 2.92Å; Q911-V913 VanDerWaalsContact C-N 3.31Å; V913-I916 HydrophobicContact CG1-CD1 4.26Å; V913-I916 WeakPolarHBondContact O-CD1 3.42Å; V913-I916 VanDerWaalsContact O-CG1 3.23Å; V913-I916 WeakPolarHBondContact O-CG1 3.45Å |
| 914 | Q | 80.4 | Confident | 82.9 | Confident | 65 Ų | 65 | 57.4 Ų | 57.4 | 30% | 0.304 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -79.6 | -26 | -178.8 | -65.9 | -176.7 | -60.8 | 0 | 0 | 113.2 | I751 L910 Q911 | I751-Q914 PolarHBondContact O-NE2 2.9Å; I751-Q914 VanDerWaalsContact O-NE2 3.15Å; L910-Q914 HydrophobicContact CD1-CG 4.42Å; L910-Q914 HydrophobicContact CG-CG 4.43Å; L910-Q914 WeakPolarHBondContact O-CG 3.42Å; L910-Q914 PolarHBondContact O-N 3.39Å; Q911-Q914 PolarHBondContact O-N 3.34Å |
| 915 | N | 74.6 | Confident | 83.2 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 35% | 0.348 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 14.2 | -178.4 | -72.3 | -26 | 0 | 0 | 0 | 113.9 | Q911 T917 N918 R919 | Q911-N915 WeakPolarHBondContact O-CB 3.46Å; Q911-N915 PolarHBondContact O-N 3.5Å; Q911-N915 VanDerWaalsContact O-N 3.1Å; N915-T917 PolarHBondContact O-N 3.16Å; N915-N918 PolarHBondContact O-N 3.47Å; N915-R919 VanDerWaalsContact O-CB 3.26Å; N915-R919 WeakPolarHBondContact O-CB 3.39Å; N915-R919 PolarHBondContact O-N 2.95Å |
| 916 | I | 82.1 | Confident | 83.5 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.5 | -58.2 | -175 | -61.2 | 161.1 | 0 | 0 | 0 | 111.1 | V830 V832 Y846 S912 V913 N918 R919 F920 D923 | V830-I916 HydrophobicContact CG1-CD1 4.35Å; V832-I916 HydrophobicContact CG1-CG2 4.01Å; V832-I916 HydrophobicContact CG2-CD1 3.66Å; V832-I916 HydrophobicContact CG2-CG2 4.46Å; Y846-I916 HydrophobicContact CD2-CD1 3.92Å; Y846-I916 HydrophobicContact CE2-CD1 3.5Å; Y846-I916 HydrophobicContact CE2-CG1 3.98Å; S912-I916 WeakPolarHBondContact O-CG1 3.36Å; S912-I916 PolarHBondContact O-N 3.41Å; V913-I916 HydrophobicContact CG1-CD1 4.26Å; V913-I916 WeakPolarHBondContact O-CD1 3.42Å; V913-I916 VanDerWaalsContact O-CG1 3.23Å; V913-I916 WeakPolarHBondContact O-CG1 3.45Å; I916-N918 VanDerWaalsContact C-N 3.33Å; I916-N918 PolarHBondContact O-N 2.95Å; I916-R919 PolarHBondContact O-N 2.93Å; I916-F920 WeakPolarHBondContact O-CA 3.36Å; I916-F920 PolarHBondContact O-N 3.08Å; I916-D923 HydrophobicContact CG2-CB 3.7Å |
| 917 | T | 76.6 | Confident | 83.9 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 8% | 0.08 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.5 | -27 | -174.4 | -52 | 0 | 0 | 0 | 0 | 112.5 | N748 N915 F920 P921 D923 T924 | N748-T917 HydrophobicContact CB-CG2 4.11Å; N748-T917 WeakPolarHBondContact OD1-CB 3.31Å; N915-T917 PolarHBondContact O-N 3.16Å; T917-F920 CarbonylContact O-C 3.37Å; T917-P921 WeakPolarHBondContact O-CA 3.36Å; T917-D923 WeakPolarHBondContact CA-O 3.37Å; T917-D923 WeakPolarHBondContact CB-O 3.49Å; T917-D923 PolarHBondContact OG1-O 3.02Å; T917-T924 HydrophobicContact CG2-CG2 4.3Å |
| 918 | N | 75.6 | Confident | 84.4 | Confident | 103 Ų | 103 | 42.6 Ų | 42.6 | 55% | 0.551 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -68.8 | -38.2 | 171.2 | -75.9 | -22.7 | 0 | 0 | 0 | 112.2 | N748 N915 I916 | N748-N918 PolarHBondContact ND2-ND2 3.01Å; N748-N918 PolarHBondContact ND2-OD1 3.23Å; N915-N918 PolarHBondContact O-N 3.47Å; I916-N918 VanDerWaalsContact C-N 3.33Å; I916-N918 PolarHBondContact O-N 2.95Å |
| 919 | R | 72.4 | Confident | 84.8 | Confident | 125 Ų | 125 | 41.6 Ų | 41.6 | 47% | 0.472 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -83 | -31.9 | -178.5 | -147.9 | 174 | -171 | -174.9 | -1.1 | 111.8 | D393 N915 I916 | D393-R919 IonicContact OD2-NH2 3.47Å; D393-R919 PolarHBondContact OD2-NH2 2.94Å; N915-R919 VanDerWaalsContact O-CB 3.26Å; N915-R919 WeakPolarHBondContact O-CB 3.39Å; N915-R919 PolarHBondContact O-N 2.95Å; I916-R919 PolarHBondContact O-N 2.93Å |
| 920 | F | 81.8 | Confident | 85.3 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | trans | -138 | 93.1 | -177.5 | -54.7 | -53.7 | 0 | 0 | 0 | 110 | G390 I916 T917 K922 D923 | G390-F920 WeakPolarHBondContact O-CE1 3.49Å; G390-F920 WeakPolarHBondContact O-CZ 3.41Å; I916-F920 WeakPolarHBondContact O-CA 3.36Å; I916-F920 PolarHBondContact O-N 3.08Å; T917-F920 CarbonylContact O-C 3.37Å; F920-K922 PolarHBondContact O-N 3.03Å; F920-D923 HydrophobicContact CB-CB 3.75Å; F920-D923 PolarHBondContact O-N 3.14Å | ||
| 921 | P | 84.3 | Confident | 86 | Confident | 87 Ų | 87 | 38.6 Ų | 38.6 | 57% | 0.565 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.6 | -175.4 | -27.7 | 35.8 | 0 | 0 | 0 | 115.5 | T917 | T917-P921 WeakPolarHBondContact O-CA 3.36Š|
| 922 | K | 87.3 | Confident | 86.6 | Confident | 62 Ų | 62 | 35.5 Ų | 35.5 | 27% | 0.27 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -15.2 | 176.6 | -57.7 | -178.4 | 174.1 | -175 | 0 | 112.7 | K744 G835 V836 F920 | K744-K922 PolarHBondContact NZ-O 3.15Å; G835-K922 PolarHBondContact N-O 3.44Å; V836-K922 HydrophobicContact CG1-CB 4.4Å; V836-K922 HydrophobicContact CG1-CD 3.55Å; V836-K922 VanDerWaalsContact CG1-CE 3.43Å; V836-K922 HydrophobicContact CG1-CG 3.62Å; F920-K922 PolarHBondContact O-N 3.03Å |
| 923 | D | 91.6 | Very high | 87 | Confident | 17 Ų | 17 | 38.9 Ų | 38.9 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 113.9 | -173.9 | -70.5 | 31.9 | 0 | 0 | 0 | 108.6 | V832 S834 Y844 I916 T917 F920 | V832-D923 HydrophobicContact CG1-CB 3.91Å; S834-D923 VanDerWaalsContact CB-OD1 3.24Å; S834-D923 WeakPolarHBondContact CB-OD1 3.49Å; S834-D923 PolarHBondContact OG-OD1 3.19Å; Y844-D923 WeakPolarHBondContact CE1-OD2 3.4Å; Y844-D923 PolarHBondContact OH-OD2 3.37Å; I916-D923 HydrophobicContact CG2-CB 3.7Å; T917-D923 WeakPolarHBondContact CA-O 3.37Å; T917-D923 WeakPolarHBondContact CB-O 3.49Å; T917-D923 PolarHBondContact OG1-O 3.02Å; F920-D923 HydrophobicContact CB-CB 3.75Å; F920-D923 PolarHBondContact O-N 3.14Å |
| 924 | T | 93 | Very high | 86.7 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126.3 | -173.2 | 59.9 | 0 | 0 | 0 | 0 | 108.9 | R732 K744 L746 H833 T917 Y926 | R732-T924 VanDerWaalsContact CD-CB 3.5Å; R732-T924 WeakPolarHBondContact CD-OG1 3.15Å; K744-T924 WeakPolarHBondContact CE-OG1 3.47Å; K744-T924 PolarHBondContact NZ-OG1 3.4Å; K744-T924 VanDerWaalsContact NZ-OG1 3.13Å; L746-T924 HydrophobicContact CD2-CG2 3.96Å; H833-T924 PolarHBondContact N-O 3.31Å; H833-T924 PolarHBondContact O-N 2.79Å; H833-T924 PolarHBondContact O-OG1 3.48Å; T917-T924 HydrophobicContact CG2-CG2 4.3Å; T924-Y926 PolarHBondContact O-N 2.75Å |
| 925 | A | 94.8 | Very high | 85.4 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 131.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | R732 I751 V830 L928 | R732-A925 WeakPolarHBondContact CD-O 3.44Å; R732-A925 PolarHBondContact NE-O 2.95Å; I751-A925 HydrophobicContact CD1-CB 3.43Å; I751-A925 VanDerWaalsContact CD1-CB 3.43Å; V830-A925 HydrophobicContact CG1-CB 3.73Å; A925-L928 HydrophobicContact CB-CD2 4.06Å |
| 926 | Y | 95.9 | Very high | 83.6 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | -51.7 | -171.2 | -174.8 | -134.8 | 0 | 0 | 0 | 112.1 | D524 C525 S526 T729 L730 V831 Y843 T924 | D524-Y926 VanDerWaalsContact CG-OH 3.28Å; D524-Y926 WeakPolarHBondContact OD1-CE1 3.33Å; D524-Y926 PolarHBondContact OD1-OH 2.69Å; D524-Y926 PolarHBondContact OD2-OH 3.46Å; C525-Y926 VanDerWaalsContact SG-CD1 3.57Å; S526-Y926 PolarHBondContact OG-OH 2.99Å; T729-Y926 HydrophobicContact CG2-CE2 4.23Å; L730-Y926 PolarHBondContact N-O 2.8Å; L730-Y926 WeakPolarHBondContact O-CD2 3.48Å; L730-Y926 WeakPolarHBondContact O-CE2 3.35Å; V831-Y926 PolarHBondContact O-N 3.11Å; Y843-Y926 AromaticContact CE1-CD1 3.91Å; Y843-Y926 HydrophobicContact CE1-CD1 3.91Å; Y843-Y926 HydrophobicContact CE1-CE1 4.44Å; T924-Y926 PolarHBondContact O-N 2.75Å |
| 927 | V | 97.7 | Very high | 81.6 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.8 | 174.6 | -177.8 | 0 | 0 | 0 | 0 | 109 | L529 I727 L728 V831 | L529-V927 HydrophobicContact CD2-CG1 4.05Å; I727-V927 HydrophobicContact CG2-CG1 3.8Å; L728-V927 WeakPolarHBondContact O-CA 3.41Å; V831-V927 HydrophobicContact CB-CB 4.03Å; V831-V927 HydrophobicContact CG2-CB 4.21Å; V831-V927 PolarHBondContact N-O 3.31Å; V831-V927 PolarHBondContact O-N 3.45Å |
| 928 | L | 97.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.7 | 177.2 | -48.3 | 175.4 | 0 | 0 | 0 | 108.9 | V683 I727 L728 L730 I751 V830 A925 Y930 | V683-L928 HydrophobicContact CG1-CD1 4.22Å; V683-L928 HydrophobicContact CG2-CD1 3.57Å; I727-L928 CarbonylContact C-O 3.46Å; I727-L928 WeakPolarHBondContact CA-O 3.32Å; L728-L928 HydrophobicContact CB-CB 4.24Å; L728-L928 PolarHBondContact N-O 3.43Å; L728-L928 PolarHBondContact O-N 3Å; L730-L928 HydrophobicContact CD1-CD1 4.44Å; L730-L928 HydrophobicContact CD2-CD1 4.42Å; I751-L928 HydrophobicContact CD1-CD2 3.88Å; I751-L928 HydrophobicContact CG1-CD1 4.41Å; I751-L928 HydrophobicContact CG1-CD2 4.34Å; I751-L928 HydrophobicContact CG2-CD1 4.24Å; I751-L928 HydrophobicContact CG2-CD2 4.26Å; V830-L928 HydrophobicContact CB-CD2 4.28Å; V830-L928 HydrophobicContact CG1-CD2 3.81Å; V830-L928 HydrophobicContact CG2-CD2 3.87Å; A925-L928 HydrophobicContact CB-CD2 4.06Å; L928-Y930 HydrophobicContact CB-CD2 4.36Å; L928-Y930 HydrophobicContact CB-CE2 3.93Å; L928-Y930 HydrophobicContact CD1-CE2 4.25Å |
| 929 | M | 96.7 | Very high | 77.2 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.3 | 173 | -166 | 174.3 | 67.5 | 0 | 0 | 109.2 | T462 A466 F597 Y725 L726 I727 S828 S829 | T462-M929 HydrophobicContact CG2-CB 4.39Å; T462-M929 HydrophobicContact CG2-CE 3.91Å; T462-M929 HydrophobicContact CG2-SD 3.9Å; T462-M929 WeakPolarHBondContact O-CE 3.16Å; A466-M929 HydrophobicContact CB-CE 3.75Å; A466-M929 HydrophobicContact CB-SD 4.25Å; F597-M929 HydrophobicContact CE1-SD 4.33Å; Y725-M929 HydrophobicContact CD1-CE 4.04Å; Y725-M929 HydrophobicContact CD1-CG 4Å; Y725-M929 HydrophobicContact CD1-SD 3.92Å; Y725-M929 HydrophobicContact CE1-CE 4.28Å; L726-M929 WeakPolarHBondContact O-CA 3.28Å; I727-M929 HydrophobicContact CG1-CG 4.39Å; S828-M929 WeakPolarHBondContact CA-O 3.23Å; S828-M929 WeakPolarHBondContact CB-O 3.44Å; S828-M929 PolarHBondContact N-O 2.8Å; S829-M929 PolarHBondContact N-O 3.4Å; S829-M929 PolarHBondContact O-N 3Å; S829-M929 VanDerWaalsContact OG-CB 3.24Å; S829-M929 WeakPolarHBondContact OG-CB 3.21Å |
| 930 | Y | 95.1 | Very high | 75.2 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 143.7 | 174.2 | -72.2 | -103.2 | 0 | 0 | 0 | 110.4 | Y725 L726 L728 I751 P752 L755 M826 L827 L928 | Y725-Y930 CarbonylContact C-O 3.59Å; Y725-Y930 VanDerWaalsContact CA-O 3.25Å; Y725-Y930 WeakPolarHBondContact CA-O 3.07Å; L726-Y930 PolarHBondContact N-O 3.25Å; L726-Y930 PolarHBondContact O-N 2.9Å; L728-Y930 HydrophobicContact CD1-CD2 4.16Å; L728-Y930 HydrophobicContact CD1-CE2 3.95Å; I751-Y930 WeakPolarHBondContact CG2-OH 3.42Å; P752-Y930 WeakPolarHBondContact O-CE1 3.37Å; P752-Y930 PolarHBondContact O-OH 3.18Å; L755-Y930 HydrophobicContact CB-CD1 3.84Å; L755-Y930 HydrophobicContact CB-CE1 3.62Å; L755-Y930 HydrophobicContact CD2-CD2 4.35Å; L755-Y930 HydrophobicContact CD2-CE1 4.49Å; L755-Y930 HydrophobicContact CD2-CE2 4.26Å; M826-Y930 CarbonylContact O-C 3.58Å; M826-Y930 WeakPolarHBondContact O-CA 2.92Å; L827-Y930 VanDerWaalsContact CA-CD1 3.49Å; L827-Y930 HydrophobicContact CB-CD1 4.05Å; L827-Y930 HydrophobicContact CB-CE1 3.74Å; L827-Y930 HydrophobicContact CD1-CD1 4.36Å; L827-Y930 HydrophobicContact CD1-CD2 4.13Å; L827-Y930 HydrophobicContact CD1-CE1 3.92Å; L827-Y930 HydrophobicContact CD1-CE2 3.68Å; L827-Y930 HydrophobicContact CD1-CG 4.44Å; L827-Y930 HydrophobicContact CG-CE1 4.44Å; L827-Y930 VanDerWaalsContact N-CD1 3.34Å; L928-Y930 HydrophobicContact CB-CD2 4.36Å; L928-Y930 HydrophobicContact CB-CE2 3.93Å; L928-Y930 HydrophobicContact CD1-CE2 4.25Å |
| 931 | R | 94.3 | Very high | 72.7 | Confident | 29 Ų | 29 | 69.2 Ų | 69.2 | 11% | 0.109 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 135.2 | 174.1 | -174.2 | 178.3 | 179.5 | -128.7 | 0.1 | 110.4 | D468 Y725 Y825 M826 I850 N851 | D468-R931 IonicContact OD1-NH2 2.62Å; D468-R931 PolarHBondContact OD1-NH2 3.37Å; D468-R931 IonicContact OD2-CZ 3.47Å; D468-R931 VanDerWaalsContact OD2-CZ 3.28Å; D468-R931 IonicContact OD2-NE 3.77Å; D468-R931 PolarHBondContact OD2-NE 3.02Å; D468-R931 IonicContact OD2-NH2 2.62Å; D468-R931 PolarHBondContact OD2-NH2 2.94Å; Y725-R931 HydrophobicContact CD1-CB 4.18Å; Y725-R931 HydrophobicContact CD1-CG 4.42Å; Y725-R931 HydrophobicContact CE1-CB 3.93Å; Y725-R931 HydrophobicContact CE1-CG 3.94Å; Y725-R931 HydrophobicContact CE2-CG 4.48Å; Y725-R931 WeakPolarHBondContact OH-CD 3.26Å; Y725-R931 PolarHBondContact OH-NE 3.47Å; Y825-R931 CarbonylContact C-O 3.56Å; Y825-R931 WeakPolarHBondContact CA-O 3.04Å; Y825-R931 VanDerWaalsContact CD1-C 3.44Å; M826-R931 PolarHBondContact N-O 3.4Å; M826-R931 PolarHBondContact O-N 3.27Å; I850-R931 HydrophobicContact CD1-CB 3.81Å; N851-R931 VanDerWaalsContact CG-NH1 3.29Å; N851-R931 VanDerWaalsContact ND2-CZ 3.33Å; N851-R931 PolarHBondContact ND2-NH1 3.44Å; N851-R931 PolarHBondContact ND2-NH2 3.32Å; N851-R931 PolarHBondContact OD1-NH1 3.05Å |
| 932 | K | 92.3 | Very high | 70.1 | Confident | 71 Ų | 71 | 74.8 Ų | 74.8 | 31% | 0.309 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 137.3 | 176.6 | -168.8 | 174.7 | 177.8 | -179.3 | 0 | 110.2 | E724 V823 Y825 | E724-K932 WeakPolarHBondContact O-CB 3.38Å; E724-K932 PolarHBondContact O-N 3.35Å; V823-K932 HydrophobicContact CG1-CD 4.12Å; V823-K932 HydrophobicContact CG1-CG 3.8Å; Y825-K932 HydrophobicContact CD1-CB 4.22Å; Y825-K932 HydrophobicContact CE1-CB 3.68Å; Y825-K932 HydrophobicContact CE1-CG 4.33Å |
| 933 | Q | 86.1 | Confident | 67.1 | Low | 102 Ų | 102 | 75.4 Ų | 75.4 | 48% | 0.477 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -92.4 | 127.5 | 176.2 | -173 | 175.9 | 33.7 | 0 | 0 | 109.7 | P824 L935 | P824-Q933 HydrophobicContact CB-CB 4.26Å; P824-Q933 HydrophobicContact CG-CB 4.09Å; P824-Q933 PolarHBondContact O-N 2.77Å; Q933-L935 PolarHBondContact O-N 3.39Å |
| 934 | E | 72 | Confident | 63.9 | Low | 165 Ų | 165 | 83.8 Ų | 83.8 | 77% | 0.771 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -69 | 123.4 | 174.5 | -66.7 | -168.7 | 172.9 | 0 | 0 | 110.2 | ||
| 935 | L | 52.1 | Low | 61 | Low | 115 Ų | 115 | 93.2 Ų | 93.2 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 121.7 | 173.6 | -80.6 | 157.9 | 0 | 0 | 0 | 108.8 | Q933 G937 | Q933-L935 PolarHBondContact O-N 3.39Å; L935-G937 PolarHBondContact O-N 3.29Å; L935-G937 VanDerWaalsContact O-N 3.11Å |
| 936 | P | 37.3 | Very low | 57.6 | Low | 132 Ų | 132 | 97.5 Ų | 97.5 | 86% | 0.857 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -70.9 | 108.6 | 172.5 | -0.2 | 13.9 | 0 | 0 | 0 | 109.2 | ||
| 937 | G | 39.8 | Very low | 54.3 | Low | 61 Ų | 61 | 104.5 Ų | 104.5 | 63% | 0.629 | 60% | 0.597 | S | S | * | * | trans | 109 | 92.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L935 | L935-G937 PolarHBondContact O-N 3.29Å; L935-G937 VanDerWaalsContact O-N 3.11Å | ||
| 938 | L | 33.9 | Very low | 51 | Low | 171 Ų | 171 | 108.7 Ų | 108.7 | 90% | 0.895 | 64% | 0.641 | S | S | * | * | trans | 174.5 | 70.2 | 146.7 | -99.1 | 149.4 | 0 | 0 | 0 | 108.3 | ||||
| 939 | N | 26.6 | Very low | 47.6 | Very low | 171 Ų | 171 | 117 Ų | 117 | 91% | 0.914 | 68% | 0.682 | S | S | * | * | trans | -157.1 | 81.9 | 157.1 | -96.6 | -14.9 | 0 | 0 | 0 | 107.2 | ||||
| 940 | G | 30.2 | Very low | 44.5 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | trans | -83.7 | 105.5 | 166 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 941 | N | 27.9 | Very low | 41.7 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 91% | 0.914 | 76% | 0.76 | S | S | * | * | trans | -166.9 | 126 | 131.9 | -109.2 | -1.5 | 0 | 0 | 0 | 109.7 | ||||
| 942 | E | 30.8 | Very low | 39.3 | Very low | 203 Ų | 203 | 138 Ų | 138 | 95% | 0.949 | 78% | 0.779 | S | S | * | * | trans | -70.7 | 145.2 | -169 | -63 | 177.4 | 140.6 | 0 | 0 | 113.6 | ||||
| 943 | G | 24.4 | Very low | 37.5 | Very low | 75 Ų | 75 | 138.4 Ų | 138.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -154.2 | 80.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 944 | Q | 24.4 | Very low | 36.4 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | 50 | 108.9 | 160.1 | -74.3 | 172 | -19.8 | 0 | 0 | 119.2 | A946 | Q944-A946 PolarHBondContact O-N 2.9Š| ||
| 945 | M | 31.3 | Very low | 36.4 | Very low | 200 Ų | 200 | 129.5 Ų | 129.5 | 99% | 0.985 | 76% | 0.757 | S | S | * | * | trans | -57.7 | 119.4 | 164.7 | -69 | -158.4 | 166.5 | 0 | 0 | 112.2 | ||||
| 946 | A | 24.5 | Very low | 37.4 | Very low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -124.1 | 110.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q944 | Q944-A946 PolarHBondContact O-N 2.9Š| ||
| 947 | N | 26.1 | Very low | 39.5 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | trans | 41.7 | 105.5 | 164.1 | -72.7 | -13.8 | 0 | 0 | 0 | 118.7 | M949 | N947-M949 PolarHBondContact O-N 3.31Š| ||
| 948 | G | 29 | Very low | 41.5 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 94% | 0.938 | 71% | 0.709 | S | S | * | * | trans | -61.8 | 96.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 949 | M | 25.3 | Very low | 43.8 | Very low | 176 Ų | 176 | 122.9 Ų | 122.9 | 87% | 0.867 | 70% | 0.7 | S | S | * | * | trans | -113.7 | 114 | 148.9 | -82.5 | 175.6 | 79.1 | 0 | 0 | 107.3 | N947 L951 | N947-M949 PolarHBondContact O-N 3.31Å; M949-L951 PolarHBondContact O-N 3.41Å; M949-L951 VanDerWaalsContact O-N 3.15Å | ||
| 950 | R | 30.8 | Very low | 46.6 | Very low | 220 Ų | 220 | 119.1 Ų | 119.1 | 83% | 0.83 | 68% | 0.677 | S | S | * | * | trans | -59.1 | 115.9 | 171.2 | -81.5 | 179.6 | 167.6 | -179.3 | -4.3 | 109 | N952 | R950-N952 VanDerWaalsContact C-N 3.25Å; R950-N952 PolarHBondContact O-N 2.85Å | ||
| 951 | L | 36.8 | Very low | 49.2 | Very low | 157 Ų | 157 | 115.6 Ų | 115.6 | 82% | 0.822 | 64% | 0.64 | S | S | * | * | trans | -66.4 | 76.1 | 174 | -74.7 | 158.4 | 0 | 0 | 0 | 110.9 | M949 | M949-L951 PolarHBondContact O-N 3.41Å; M949-L951 VanDerWaalsContact O-N 3.15Å | ||
| 952 | N | 44.1 | Very low | 52 | Low | 94 Ų | 94 | 111 Ų | 111 | 50% | 0.503 | 62% | 0.615 | S | S | . | * | trans | -114.1 | 14.6 | -172.7 | -76.9 | 0.5 | 0 | 0 | 0 | 114.5 | R950 | R950-N952 VanDerWaalsContact C-N 3.25Å; R950-N952 PolarHBondContact O-N 2.85Å | ||
| 953 | A | 53.8 | Low | 54.6 | Low | 81 Ų | 81 | 105.4 Ų | 105.4 | 67% | 0.669 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -112.8 | 148.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 954 | E | 63.3 | Low | 57.5 | Low | 44 Ų | 44 | 103.3 Ų | 103.3 | 21% | 0.206 | 57% | 0.567 | C | S | . | * | P | Polyproline II helix | trans | -58.1 | 143.1 | 168.2 | -68.3 | -164.9 | 144.6 | 0 | 0 | 110.2 | R470 H497 | R470-E954 IonicContact CZ-OE1 3.88Å; R470-E954 IonicContact NE-OE1 3.45Å; R470-E954 PolarHBondContact NE-OE1 2.94Å; R470-E954 IonicContact NH2-OE1 2.93Å; R470-E954 PolarHBondContact NH2-OE1 3.43Å; H497-E954 IonicContact CE1-OE2 3.29Å; H497-E954 IonicContact NE2-OE2 3.75Å |
| 955 | P | 71.4 | Confident | 60.5 | Low | 36 Ų | 36 | 94.4 Ų | 94.4 | 23% | 0.234 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 143.9 | -179.8 | 26.3 | -33.6 | 0 | 0 | 0 | 110.3 | L474 L957 | L474-P955 HydrophobicContact CB-CG 4.14Å; P955-L957 PolarHBondContact O-N 3.31Å |
| 956 | P | 73.9 | Confident | 63.1 | Low | 124 Ų | 124 | 89.2 Ų | 89.2 | 81% | 0.805 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -59 | 127.3 | 177.5 | 24.8 | -32.7 | 0 | 0 | 0 | 109.6 | ||
| 957 | L | 80.8 | Confident | 66.2 | Low | 30 Ų | 30 | 91.7 Ų | 91.7 | 16% | 0.157 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 141.1 | 179.5 | -70.5 | 178.3 | 0 | 0 | 0 | 111.2 | L474 A493 H497 P955 L961 L962 I965 | L474-L957 HydrophobicContact CD2-CD2 4.05Å; A493-L957 HydrophobicContact CB-CD2 4.22Å; H497-L957 WeakPolarHBondContact CD2-CD1 3.49Å; H497-L957 WeakPolarHBondContact NE2-CD1 3.5Å; P955-L957 PolarHBondContact O-N 3.31Å; L957-L961 HydrophobicContact CD2-CD1 4.26Å; L957-L962 HydrophobicContact CB-CB 4.47Å; L957-I965 HydrophobicContact CD1-CD1 3.35Å |
| 958 | Q | 83.4 | Confident | 69 | Low | 23 Ų | 23 | 85 Ų | 85 | 11% | 0.107 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 146.2 | 171.2 | -67.8 | 168.1 | 6.5 | 0 | 0 | 110.9 | L476 H477 N479 E960 L961 L962 | L476-Q958 VanDerWaalsContact C-NE2 3.33Å; L476-Q958 PolarHBondContact O-NE2 3.32Å; H477-Q958 PolarHBondContact ND1-NE2 3.11Å; N479-Q958 PolarHBondContact OD1-OE1 3.02Å; N479-Q958 VanDerWaalsContact OD1-OE1 3.14Å; Q958-E960 VanDerWaalsContact C-N 3.26Å; Q958-E960 PolarHBondContact O-N 3.34Å; Q958-E960 VanDerWaalsContact O-N 3.13Å; Q958-L961 HydrophobicContact CB-CD1 4.42Å; Q958-L961 PolarHBondContact O-N 2.94Å; Q958-L962 PolarHBondContact O-N 3.29Å |
| 959 | K | 82.2 | Confident | 71.7 | Confident | 162 Ų | 162 | 81.8 Ų | 81.8 | 70% | 0.704 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -49 | -43.8 | -176.5 | -173.1 | 176.9 | 178.5 | 177.6 | 0 | 113.5 | L961 L962 D963 | K959-L961 PolarHBondContact O-N 3.21Å; K959-L962 PolarHBondContact O-N 3.44Å; K959-D963 WeakPolarHBondContact O-CB 3.24Å; K959-D963 PolarHBondContact O-N 3.32Å |
| 960 | E | 83.8 | Confident | 74.5 | Confident | 93 Ų | 93 | 79.7 Ų | 79.7 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 178.8 | -65.6 | -179.9 | -175.5 | 0 | 0 | 113.5 | N479 K486 Q958 A964 | N479-E960 WeakPolarHBondContact CB-OE1 3.32Å; N479-E960 PolarHBondContact OD1-OE2 3.34Å; K486-E960 IonicContact NZ-OE2 2.9Å; Q958-E960 VanDerWaalsContact C-N 3.26Å; Q958-E960 PolarHBondContact O-N 3.34Å; Q958-E960 VanDerWaalsContact O-N 3.13Å; E960-A964 WeakPolarHBondContact O-CB 3.46Å; E960-A964 PolarHBondContact O-N 2.82Å; E960-A964 VanDerWaalsContact O-N 3.16Å |
| 961 | L | 85.6 | Confident | 77 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.7 | -42.3 | 178 | -63.2 | 173.4 | 0 | 0 | 0 | 110.4 | Q489 L490 A493 L957 Q958 K959 A964 I965 | Q489-L961 HydrophobicContact CG-CD1 3.75Å; Q489-L961 HydrophobicContact CG-CD2 4.26Å; L490-L961 HydrophobicContact CB-CD2 4.45Å; L490-L961 HydrophobicContact CD1-CD2 3.94Å; A493-L961 HydrophobicContact CB-CB 4.47Å; L957-L961 HydrophobicContact CD2-CD1 4.26Å; Q958-L961 HydrophobicContact CB-CD1 4.42Å; Q958-L961 PolarHBondContact O-N 2.94Å; K959-L961 PolarHBondContact O-N 3.21Å; L961-A964 PolarHBondContact O-N 3.4Å; L961-I965 WeakPolarHBondContact O-CD1 3.49Å; L961-I965 WeakPolarHBondContact O-CG1 3.29Å; L961-I965 PolarHBondContact O-N 2.9Å |
| 962 | L | 85.8 | Confident | 79.1 | Confident | 76 Ų | 76 | 66.1 Ų | 66.1 | 40% | 0.398 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 178 | -172.7 | 63.7 | 0 | 0 | 0 | 111.2 | L957 Q958 K959 A964 I965 I966 | L957-L962 HydrophobicContact CB-CB 4.47Å; Q958-L962 PolarHBondContact O-N 3.29Å; K959-L962 PolarHBondContact O-N 3.44Å; L962-A964 VanDerWaalsContact C-N 3.3Å; L962-A964 PolarHBondContact O-N 2.76Å; L962-I965 PolarHBondContact O-N 3.07Å; L962-I966 HydrophobicContact CD1-CD1 4.33Å; L962-I966 HydrophobicContact CD1-CG1 4.5Å; L962-I966 HydrophobicContact CD2-CD1 4.46Å; L962-I966 HydrophobicContact CG-CD1 3.85Å; L962-I966 HydrophobicContact CG-CG1 4.43Å; L962-I966 WeakPolarHBondContact O-CB 3.41Å; L962-I966 VanDerWaalsContact O-CG1 3.26Å; L962-I966 WeakPolarHBondContact O-CG1 3.33Å; L962-I966 PolarHBondContact O-N 3.49Å |
| 963 | D | 86.3 | Confident | 80.7 | Confident | 84 Ų | 84 | 66.7 Ų | 66.7 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 176.2 | -72.4 | -18.6 | 0 | 0 | 0 | 111.4 | K959 K967 | K959-D963 WeakPolarHBondContact O-CB 3.24Å; K959-D963 PolarHBondContact O-N 3.32Å; D963-K967 VanDerWaalsContact O-CB 3.27Å; D963-K967 WeakPolarHBondContact O-CB 3.32Å; D963-K967 PolarHBondContact O-N 3.24Å |
| 964 | A | 85.6 | Confident | 81.8 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L490 F494 E960 L961 L962 D968 | L490-A964 HydrophobicContact CD1-CB 4.17Å; F494-A964 HydrophobicContact CZ-CB 4.36Å; E960-A964 WeakPolarHBondContact O-CB 3.46Å; E960-A964 PolarHBondContact O-N 2.82Å; E960-A964 VanDerWaalsContact O-N 3.16Å; L961-A964 PolarHBondContact O-N 3.4Å; L962-A964 VanDerWaalsContact C-N 3.3Å; L962-A964 PolarHBondContact O-N 2.76Å; A964-D968 WeakPolarHBondContact O-CB 3.49Å; A964-D968 PolarHBondContact O-N 2.97Å |
| 965 | I | 87.6 | Confident | 82.6 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.2 | -45 | 176.1 | -70.3 | 158 | 0 | 0 | 0 | 111.2 | A493 F494 H497 L957 L961 L962 K967 D968 N969 | A493-I965 HydrophobicContact CB-CD1 3.88Å; F494-I965 HydrophobicContact CD1-CG1 4.25Å; F494-I965 HydrophobicContact CE1-CG1 4.26Å; H497-I965 HydrophobicContact CB-CD1 3.94Å; H497-I965 HydrophobicContact CB-CG1 4.48Å; H497-I965 HydrophobicContact CB-CG2 3.81Å; L957-I965 HydrophobicContact CD1-CD1 3.35Å; L961-I965 WeakPolarHBondContact O-CD1 3.49Å; L961-I965 WeakPolarHBondContact O-CG1 3.29Å; L961-I965 PolarHBondContact O-N 2.9Å; L962-I965 PolarHBondContact O-N 3.07Å; I965-K967 VanDerWaalsContact C-N 3.29Å; I965-K967 PolarHBondContact O-N 3.29Å; I965-D968 PolarHBondContact O-N 3.16Å; I965-N969 WeakPolarHBondContact CG2-ND2 3.29Å; I965-N969 WeakPolarHBondContact O-CB 3.5Å; I965-N969 VanDerWaalsContact O-CG 3.3Å; I965-N969 PolarHBondContact O-N 2.94Å; I965-N969 PolarHBondContact O-ND2 2.79Å |
| 966 | I | 85.8 | Confident | 82.7 | Confident | 92 Ų | 92 | 72 Ų | 72 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 177.9 | -70.7 | 168.2 | 0 | 0 | 0 | 109.8 | L962 N969 K970 | L962-I966 HydrophobicContact CD1-CD1 4.33Å; L962-I966 HydrophobicContact CD1-CG1 4.5Å; L962-I966 HydrophobicContact CD2-CD1 4.46Å; L962-I966 HydrophobicContact CG-CD1 3.85Å; L962-I966 HydrophobicContact CG-CG1 4.43Å; L962-I966 WeakPolarHBondContact O-CB 3.41Å; L962-I966 VanDerWaalsContact O-CG1 3.26Å; L962-I966 WeakPolarHBondContact O-CG1 3.33Å; L962-I966 PolarHBondContact O-N 3.49Å; I966-N969 PolarHBondContact O-N 2.72Å; I966-K970 VanDerWaalsContact O-CB 3.28Å; I966-K970 WeakPolarHBondContact O-CB 3.13Å; I966-K970 PolarHBondContact O-N 3.11Å |
| 967 | K | 88.1 | Confident | 82.5 | Confident | 145 Ų | 145 | 70.7 Ų | 70.7 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.4 | -46 | 176.1 | -175.6 | 179.8 | 178.9 | -178.8 | 0 | 111.6 | D963 I965 K970 L971 | D963-K967 VanDerWaalsContact O-CB 3.27Å; D963-K967 WeakPolarHBondContact O-CB 3.32Å; D963-K967 PolarHBondContact O-N 3.24Å; I965-K967 VanDerWaalsContact C-N 3.29Å; I965-K967 PolarHBondContact O-N 3.29Å; K967-K970 PolarHBondContact O-N 2.85Å; K967-L971 HydrophobicContact CG-CD1 4.36Å; K967-L971 WeakPolarHBondContact O-CG 3.49Å; K967-L971 PolarHBondContact O-N 3.06Å |
| 968 | D | 85.9 | Confident | 82 | Confident | 17 Ų | 17 | 74.9 Ų | 74.9 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 178.2 | -169.9 | 67.9 | 0 | 0 | 0 | 112.5 | F494 T498 R500 A964 I965 K970 L971 Y972 | F494-D968 HydrophobicContact CD1-CB 4.39Å; F494-D968 HydrophobicContact CE1-CB 3.53Å; F494-D968 HydrophobicContact CZ-CB 4.31Å; T498-D968 PolarHBondContact OG1-OD2 3.16Å; R500-D968 IonicContact CZ-OD1 3.12Å; R500-D968 VanDerWaalsContact CZ-OD1 3.26Å; R500-D968 IonicContact CZ-OD2 3.26Å; R500-D968 IonicContact NH1-OD1 2.67Å; R500-D968 PolarHBondContact NH1-OD1 2.91Å; R500-D968 IonicContact NH1-OD2 2.61Å; R500-D968 IonicContact NH2-OD1 2.8Å; A964-D968 WeakPolarHBondContact O-CB 3.49Å; A964-D968 PolarHBondContact O-N 2.97Å; I965-D968 PolarHBondContact O-N 3.16Å; D968-K970 VanDerWaalsContact C-N 3.33Å; D968-K970 PolarHBondContact O-N 3.15Å; D968-L971 PolarHBondContact O-N 3.12Å; D968-Y972 WeakPolarHBondContact O-CB 3.25Å; D968-Y972 PolarHBondContact O-N 2.7Å |
| 969 | N | 86.4 | Confident | 81.3 | Confident | 25 Ų | 25 | 75.9 Ų | 75.9 | 13% | 0.134 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 177.8 | -72.1 | -20.1 | 0 | 0 | 0 | 111.6 | H497 T498 Q499 I965 I966 Y972 L973 | H497-N969 PolarHBondContact O-ND2 3.26Å; T498-N969 WeakPolarHBondContact CA-OD1 3.39Å; Q499-N969 HydrophobicContact CG-CB 4.33Å; Q499-N969 PolarHBondContact N-OD1 3.15Å; I965-N969 WeakPolarHBondContact CG2-ND2 3.29Å; I965-N969 WeakPolarHBondContact O-CB 3.5Å; I965-N969 VanDerWaalsContact O-CG 3.3Å; I965-N969 PolarHBondContact O-N 2.94Å; I965-N969 PolarHBondContact O-ND2 2.79Å; I966-N969 PolarHBondContact O-N 2.72Å; N969-Y972 PolarHBondContact O-N 3.17Å; N969-L973 WeakPolarHBondContact O-CB 3.34Å; N969-L973 VanDerWaalsContact O-CG 3.31Å; N969-L973 WeakPolarHBondContact O-CG 3.47Å; N969-L973 PolarHBondContact O-N 2.79Å |
| 970 | K | 82.3 | Confident | 80.5 | Confident | 132 Ų | 132 | 70.7 Ų | 70.7 | 57% | 0.574 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 173.5 | -175.4 | 178.5 | 179.3 | 178.9 | 0 | 111.6 | I966 K967 D968 Y972 L973 Q974 | I966-K970 VanDerWaalsContact O-CB 3.28Å; I966-K970 WeakPolarHBondContact O-CB 3.13Å; I966-K970 PolarHBondContact O-N 3.11Å; K967-K970 PolarHBondContact O-N 2.85Å; D968-K970 VanDerWaalsContact C-N 3.33Å; D968-K970 PolarHBondContact O-N 3.15Å; K970-Y972 VanDerWaalsContact C-N 3.34Å; K970-L973 PolarHBondContact O-N 3.49Å; K970-Q974 VanDerWaalsContact O-CG 3.32Å; K970-Q974 WeakPolarHBondContact O-CG 3.46Å; K970-Q974 PolarHBondContact O-N 2.96Å |
| 971 | L | 83.9 | Confident | 79.3 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 38% | 0.377 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 174.9 | -74.1 | 170.3 | 0 | 0 | 0 | 111 | K967 D968 L973 Q974 E975 | K967-L971 HydrophobicContact CG-CD1 4.36Å; K967-L971 WeakPolarHBondContact O-CG 3.49Å; K967-L971 PolarHBondContact O-N 3.06Å; D968-L971 PolarHBondContact O-N 3.12Å; L971-L973 PolarHBondContact O-N 3.02Å; L971-Q974 WeakPolarHBondContact O-CB 3.26Å; L971-Q974 PolarHBondContact O-N 3.13Å; L971-E975 WeakPolarHBondContact O-CG 3.36Å; L971-E975 PolarHBondContact O-N 3.21Å |
| 972 | Y | 81.1 | Confident | 78.2 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 8% | 0.078 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 176.9 | 179.4 | -118.2 | 0 | 0 | 0 | 112.8 | Q499 R500 D968 N969 K970 Q974 E975 Q976 | Q499-Y972 HydrophobicContact CB-CD1 3.8Å; Q499-Y972 HydrophobicContact CB-CE1 4.02Å; Q499-Y972 VanDerWaalsContact O-CE1 3.32Å; Q499-Y972 WeakPolarHBondContact O-CE1 3.47Å; R500-Y972 HydrophobicContact CG-CD1 4.3Å; R500-Y972 HydrophobicContact CG-CD2 3.52Å; R500-Y972 HydrophobicContact CG-CE2 3.88Å; R500-Y972 HydrophobicContact CG-CG 3.72Å; D968-Y972 WeakPolarHBondContact O-CB 3.25Å; D968-Y972 PolarHBondContact O-N 2.7Å; N969-Y972 PolarHBondContact O-N 3.17Å; K970-Y972 VanDerWaalsContact C-N 3.34Å; Y972-Q974 VanDerWaalsContact C-N 3.35Å; Y972-E975 WeakPolarHBondContact O-CB 3.43Å; Y972-E975 PolarHBondContact O-N 3.22Å; Y972-Q976 HydrophobicContact CE1-CG 4.3Å; Y972-Q976 HydrophobicContact CE2-CG 4.19Å; Y972-Q976 PolarHBondContact O-N 3.44Å; Y972-Q976 PolarHBondContact OH-NE2 3.09Å |
| 973 | L | 77.6 | Confident | 76.6 | Confident | 105 Ų | 105 | 78.3 Ų | 78.3 | 55% | 0.55 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 173.8 | -73.6 | 170.1 | 0 | 0 | 0 | 111.8 | N969 K970 L971 Q976 E977 | N969-L973 WeakPolarHBondContact O-CB 3.34Å; N969-L973 VanDerWaalsContact O-CG 3.31Å; N969-L973 WeakPolarHBondContact O-CG 3.47Å; N969-L973 PolarHBondContact O-N 2.79Å; K970-L973 PolarHBondContact O-N 3.49Å; L971-L973 PolarHBondContact O-N 3.02Å; L973-Q976 PolarHBondContact O-N 2.85Å; L973-E977 VanDerWaalsContact O-CB 3.27Å; L973-E977 WeakPolarHBondContact O-CB 3.45Å; L973-E977 PolarHBondContact O-N 2.79Å |
| 974 | Q | 77.9 | Confident | 74.7 | Confident | 98 Ų | 98 | 76.9 Ų | 76.9 | 46% | 0.458 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 173.4 | -72.6 | 175.3 | -12.9 | 0 | 0 | 111.9 | K970 L971 Y972 E977 L978 | K970-Q974 VanDerWaalsContact O-CG 3.32Å; K970-Q974 WeakPolarHBondContact O-CG 3.46Å; K970-Q974 PolarHBondContact O-N 2.96Å; L971-Q974 WeakPolarHBondContact O-CB 3.26Å; L971-Q974 PolarHBondContact O-N 3.13Å; Y972-Q974 VanDerWaalsContact C-N 3.35Å; Q974-E977 PolarHBondContact O-N 3.34Å; Q974-L978 VanDerWaalsContact O-CB 3.24Å; Q974-L978 WeakPolarHBondContact O-CB 3.27Å; Q974-L978 PolarHBondContact O-N 2.96Å |
| 975 | E | 79.8 | Confident | 72.9 | Confident | 100 Ų | 100 | 81.5 Ų | 81.5 | 47% | 0.467 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 174 | -73.3 | 165.2 | -176 | 0 | 0 | 111.1 | R500 L971 Y972 S979 | R500-E975 IonicContact NH2-OE1 3.15Å; R500-E975 PolarHBondContact NH2-OE1 3.14Å; R500-E975 IonicContact NH2-OE2 2.69Å; R500-E975 PolarHBondContact NH2-OE2 3.39Å; L971-E975 WeakPolarHBondContact O-CG 3.36Å; L971-E975 PolarHBondContact O-N 3.21Å; Y972-E975 WeakPolarHBondContact O-CB 3.43Å; Y972-E975 PolarHBondContact O-N 3.22Å; E975-S979 VanDerWaalsContact O-CB 3.3Å; E975-S979 WeakPolarHBondContact O-CB 3.32Å; E975-S979 PolarHBondContact O-N 3.25Å |
| 976 | Q | 73.1 | Confident | 71.1 | Confident | 75 Ų | 75 | 87.6 Ų | 87.6 | 35% | 0.35 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 175 | -78.6 | -163.5 | 7.3 | 0 | 0 | 112.2 | Y972 L973 S979 A980 | Y972-Q976 HydrophobicContact CE1-CG 4.3Å; Y972-Q976 HydrophobicContact CE2-CG 4.19Å; Y972-Q976 PolarHBondContact O-N 3.44Å; Y972-Q976 PolarHBondContact OH-NE2 3.09Å; L973-Q976 PolarHBondContact O-N 2.85Å; Q976-S979 PolarHBondContact O-N 2.98Å; Q976-A980 WeakPolarHBondContact O-CB 3.25Å; Q976-A980 PolarHBondContact O-N 3.16Å |
| 977 | E | 69.7 | Low | 68.8 | Low | 96 Ų | 96 | 85.5 Ų | 85.5 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 178.7 | -177.2 | 177 | -168.9 | 0 | 0 | 111 | L973 Q974 A980 R981 | L973-E977 VanDerWaalsContact O-CB 3.27Å; L973-E977 WeakPolarHBondContact O-CB 3.45Å; L973-E977 PolarHBondContact O-N 2.79Å; Q974-E977 PolarHBondContact O-N 3.34Å; E977-A980 PolarHBondContact O-N 3.2Å; E977-R981 HydrophobicContact CG-CG 4.35Å; E977-R981 VanDerWaalsContact O-CB 3.28Å; E977-R981 WeakPolarHBondContact O-CB 3.26Å; E977-R981 WeakPolarHBondContact O-CG 3.5Å; E977-R981 PolarHBondContact O-N 3.5Å; E977-R981 IonicContact OE1-CZ 3.65Å; E977-R981 IonicContact OE1-NE 3.28Å; E977-R981 PolarHBondContact OE1-NE 3.22Å; E977-R981 VanDerWaalsContact OE1-NE 3.16Å; E977-R981 IonicContact OE1-NH2 3.4Å; E977-R981 PolarHBondContact OE1-NH2 3.42Å |
| 978 | L | 70.8 | Confident | 66.2 | Low | 118 Ų | 118 | 82.4 Ų | 82.4 | 62% | 0.618 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61 | -47.2 | 173.6 | -172.6 | 73 | 0 | 0 | 0 | 110.3 | Q974 A980 R981 T982 | Q974-L978 VanDerWaalsContact O-CB 3.24Å; Q974-L978 WeakPolarHBondContact O-CB 3.27Å; Q974-L978 PolarHBondContact O-N 2.96Å; L978-A980 PolarHBondContact O-N 3.45Å; L978-R981 PolarHBondContact O-N 2.97Å; L978-T982 WeakPolarHBondContact O-CB 3.38Å; L978-T982 PolarHBondContact O-N 2.95Å; L978-T982 PolarHBondContact O-OG1 2.94Å |
| 979 | S | 68.9 | Low | 64.1 | Low | 45 Ų | 45 | 86.4 Ų | 86.4 | 32% | 0.315 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 177.2 | -172.1 | 0 | 0 | 0 | 0 | 112.3 | E975 Q976 T982 Q983 | E975-S979 VanDerWaalsContact O-CB 3.3Å; E975-S979 WeakPolarHBondContact O-CB 3.32Å; E975-S979 PolarHBondContact O-N 3.25Å; Q976-S979 PolarHBondContact O-N 2.98Å; S979-T982 PolarHBondContact O-N 3.4Å; S979-Q983 WeakPolarHBondContact O-CB 3.28Å; S979-Q983 WeakPolarHBondContact O-CG 3.23Å; S979-Q983 PolarHBondContact O-N 3.22Å |
| 980 | A | 63.9 | Low | 61.7 | Low | 52 Ų | 52 | 89.8 Ų | 89.8 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | Q976 E977 L978 Q983 A984 | Q976-A980 WeakPolarHBondContact O-CB 3.25Å; Q976-A980 PolarHBondContact O-N 3.16Å; E977-A980 PolarHBondContact O-N 3.2Å; L978-A980 PolarHBondContact O-N 3.45Å; A980-Q983 CarbonylContact O-C 3.52Å; A980-Q983 PolarHBondContact O-N 3.14Å; A980-A984 WeakPolarHBondContact O-CB 3.41Å; A980-A984 PolarHBondContact O-N 2.98Å |
| 981 | R | 60.1 | Low | 59.4 | Low | 151 Ų | 151 | 87.8 Ų | 87.8 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.9 | -40.4 | 172.2 | -75.4 | 174.3 | -178 | -163.3 | 1.6 | 111.1 | E977 L978 Q983 A984 L985 | E977-R981 HydrophobicContact CG-CG 4.35Å; E977-R981 VanDerWaalsContact O-CB 3.28Å; E977-R981 WeakPolarHBondContact O-CB 3.26Å; E977-R981 WeakPolarHBondContact O-CG 3.5Å; E977-R981 PolarHBondContact O-N 3.5Å; E977-R981 IonicContact OE1-CZ 3.65Å; E977-R981 IonicContact OE1-NE 3.28Å; E977-R981 PolarHBondContact OE1-NE 3.22Å; E977-R981 VanDerWaalsContact OE1-NE 3.16Å; E977-R981 IonicContact OE1-NH2 3.4Å; E977-R981 PolarHBondContact OE1-NH2 3.42Å; L978-R981 PolarHBondContact O-N 2.97Å; R981-Q983 VanDerWaalsContact C-N 3.35Å; R981-A984 PolarHBondContact O-N 3.19Å; R981-L985 WeakPolarHBondContact O-CB 3.5Å; R981-L985 VanDerWaalsContact O-CG 3.25Å; R981-L985 WeakPolarHBondContact O-CG 3.49Å; R981-L985 PolarHBondContact O-N 3.43Å |
| 982 | T | 62.1 | Low | 56.7 | Low | 70 Ų | 70 | 90.8 Ų | 90.8 | 43% | 0.429 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 172.4 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | L978 S979 Q986 | L978-T982 WeakPolarHBondContact O-CB 3.38Å; L978-T982 PolarHBondContact O-N 2.95Å; L978-T982 PolarHBondContact O-OG1 2.94Å; S979-T982 PolarHBondContact O-N 3.4Å; T982-Q986 WeakPolarHBondContact O-CB 3.45Å; T982-Q986 WeakPolarHBondContact O-CG 3.48Å; T982-Q986 PolarHBondContact O-N 3.15Å; T982-Q986 VanDerWaalsContact O-N 3.1Å |
| 983 | Q | 52.3 | Low | 54.4 | Low | 110 Ų | 110 | 95.2 Ų | 95.2 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.3 | -36.9 | 174.8 | -77.1 | 178.9 | -8.3 | 0 | 0 | 112.9 | S979 A980 R981 Q986 A987 | S979-Q983 WeakPolarHBondContact O-CB 3.28Å; S979-Q983 WeakPolarHBondContact O-CG 3.23Å; S979-Q983 PolarHBondContact O-N 3.22Å; A980-Q983 CarbonylContact O-C 3.52Å; A980-Q983 PolarHBondContact O-N 3.14Å; R981-Q983 VanDerWaalsContact C-N 3.35Å; Q983-Q986 CarbonylContact O-C 3.58Å; Q983-Q986 WeakPolarHBondContact O-CA 3.39Å; Q983-Q986 WeakPolarHBondContact O-CB 3.28Å; Q983-Q986 PolarHBondContact O-N 3.43Å; Q983-A987 WeakPolarHBondContact O-CB 3.38Å; Q983-A987 PolarHBondContact O-N 2.71Å |
| 984 | A | 45.3 | Very low | 52 | Low | 54 Ų | 54 | 100.2 Ų | 100.2 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.1 | -34.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | A980 R981 Q986 A987 S988 | A980-A984 WeakPolarHBondContact O-CB 3.41Å; A980-A984 PolarHBondContact O-N 2.98Å; R981-A984 PolarHBondContact O-N 3.19Å; A984-Q986 VanDerWaalsContact C-N 3.27Å; A984-A987 PolarHBondContact O-N 2.97Å; A984-S988 VanDerWaalsContact O-CB 3.31Å; A984-S988 WeakPolarHBondContact O-CB 3.47Å; A984-S988 PolarHBondContact O-N 3.36Å; A984-S988 PolarHBondContact O-OG 3.47Å |
| 985 | L | 48.8 | Very low | 49.8 | Very low | 129 Ų | 129 | 106.9 Ų | 106.9 | 68% | 0.675 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.6 | -30 | 169.3 | -72.8 | 165.8 | 0 | 0 | 0 | 111.7 | R981 S989 | R981-L985 WeakPolarHBondContact O-CB 3.5Å; R981-L985 VanDerWaalsContact O-CG 3.25Å; R981-L985 WeakPolarHBondContact O-CG 3.49Å; R981-L985 PolarHBondContact O-N 3.43Å; L985-S989 PolarHBondContact O-OG 3.45Å |
| 986 | Q | 48.7 | Very low | 48.5 | Very low | 133 Ų | 133 | 107.1 Ų | 107.1 | 62% | 0.621 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.8 | -27.2 | 170.8 | -71.6 | 170.4 | -9 | 0 | 0 | 112.8 | T982 Q983 A984 S989 | T982-Q986 WeakPolarHBondContact O-CB 3.45Å; T982-Q986 WeakPolarHBondContact O-CG 3.48Å; T982-Q986 PolarHBondContact O-N 3.15Å; T982-Q986 VanDerWaalsContact O-N 3.1Å; Q983-Q986 CarbonylContact O-C 3.58Å; Q983-Q986 WeakPolarHBondContact O-CA 3.39Å; Q983-Q986 WeakPolarHBondContact O-CB 3.28Å; Q983-Q986 PolarHBondContact O-N 3.43Å; A984-Q986 VanDerWaalsContact C-N 3.27Å; Q986-S989 PolarHBondContact O-OG 3.31Å |
| 987 | A | 37.7 | Very low | 46.4 | Very low | 49 Ų | 49 | 111.6 Ų | 111.6 | 41% | 0.405 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -91 | -35.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q983 A984 S989 S990 | Q983-A987 WeakPolarHBondContact O-CB 3.38Å; Q983-A987 PolarHBondContact O-N 2.71Å; A984-A987 PolarHBondContact O-N 2.97Å; A987-S989 PolarHBondContact O-N 3.41Å; A987-S990 WeakPolarHBondContact O-CA 3.39Å; A987-S990 WeakPolarHBondContact O-CB 3.32Å; A987-S990 PolarHBondContact O-N 3.15Å; A987-S990 PolarHBondContact O-OG 3.3Å |
| 988 | S | 34.9 | Very low | 44.3 | Very low | 79 Ų | 79 | 110 Ų | 110 | 55% | 0.552 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.8 | -17.6 | 179.7 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | A984 S990 | A984-S988 VanDerWaalsContact O-CB 3.31Å; A984-S988 WeakPolarHBondContact O-CB 3.47Å; A984-S988 PolarHBondContact O-N 3.36Å; A984-S988 PolarHBondContact O-OG 3.47Å; S988-S990 PolarHBondContact O-N 2.99Å |
| 989 | S | 40 | Very low | 42.3 | Very low | 102 Ų | 102 | 109.7 Ų | 109.7 | 71% | 0.713 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -3.9 | 168.1 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | L985 Q986 A987 | L985-S989 PolarHBondContact O-OG 3.45Å; Q986-S989 PolarHBondContact O-OG 3.31Å; A987-S989 PolarHBondContact O-N 3.41Å |
| 990 | S | 37.8 | Very low | 40.5 | Very low | 96 Ų | 96 | 114.6 Ų | 114.6 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -111.4 | -2.3 | -177.4 | 69.1 | 0 | 0 | 0 | 0 | 115.4 | A987 S988 | A987-S990 WeakPolarHBondContact O-CA 3.39Å; A987-S990 WeakPolarHBondContact O-CB 3.32Å; A987-S990 PolarHBondContact O-N 3.15Å; A987-S990 PolarHBondContact O-OG 3.3Å; S988-S990 PolarHBondContact O-N 2.99Å |
| 991 | S | 33.7 | Very low | 39.1 | Very low | 89 Ų | 89 | 118.3 Ų | 118.3 | 62% | 0.622 | 68% | 0.678 | S | S | * | * | trans | -145.9 | 87.2 | 176.7 | 74.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 992 | C | 27.6 | Very low | 37.7 | Very low | 135 Ų | 135 | 117.1 Ų | 117.1 | 91% | 0.912 | 68% | 0.683 | S | S | * | * | trans | -148.1 | 83.7 | 154.1 | -87.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 993 | S | 32.3 | Very low | 36.3 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | trans | -95.3 | 108.5 | 162 | 171.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 994 | F | 27.6 | Very low | 35.9 | Very low | 210 Ų | 210 | 120.7 Ų | 120.7 | 92% | 0.921 | 71% | 0.709 | S | S | * | * | trans | -142.9 | 123.9 | 156.2 | -100.1 | -80.2 | 0 | 0 | 0 | 108.5 | ||||
| 995 | R | 31.3 | Very low | 36.5 | Very low | 237 Ų | 237 | 124.2 Ų | 124.2 | 89% | 0.894 | 73% | 0.728 | S | S | * | * | trans | -135.3 | 166.9 | 164.4 | -96.2 | -165.8 | -177.7 | -168.7 | 2.8 | 106.1 | ||||
| 996 | P | 51.3 | Low | 35.5 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | cis | -134.3 | 172.8 | -14.2 | 33 | -12.8 | 0 | 0 | 0 | 113.7 | ||||
| 997 | N | 28.9 | Very low | 34.5 | Very low | 169 Ų | 169 | 120.4 Ų | 120.4 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | trans | 148.2 | 135.3 | 155.8 | -80 | -10.7 | 0 | 0 | 0 | 106.3 | ||||
| 998 | G | 26.6 | Very low | 34.2 | Very low | 63 Ų | 63 | 123.7 Ų | 123.7 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | cis | 158.5 | 144.5 | 9.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 999 | S | 28.6 | Very low | 33.9 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 61.4 | 123.1 | 163.2 | 61.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1000 | D | 31.4 | Very low | 34.3 | Very low | 148 Ų | 148 | 124.1 Ų | 124.1 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | 74.8 | 132 | 128.6 | -67.7 | -21.3 | 0 | 0 | 0 | 124.5 | |||||
| 1001 | D | 33.4 | Very low | 34.1 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | 90.7 | 107.8 | 135 | -80.3 | -24 | 0 | 0 | 0 | 123 | ||||
| 1002 | N | 31.5 | Very low | 33.9 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | 64.7 | 117.2 | 118.9 | -81.4 | -48.6 | 0 | 0 | 0 | 122.2 | |||||
| 1003 | N | 31.5 | Very low | 34 | Very low | 146 Ų | 146 | 122.2 Ų | 122.2 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | 87.8 | 140.5 | 139.6 | -76.2 | -29.3 | 0 | 0 | 0 | 122.9 | ||||
| 1004 | P | 45.6 | Very low | 34 | Very low | 109 Ų | 109 | 121 Ų | 121 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -98.5 | -155.9 | 172.2 | 45.6 | -36.7 | 0 | 0 | 0 | 109.7 | ||||
| 1005 | P | 56.5 | Low | 34.1 | Very low | 128 Ų | 128 | 114.9 Ų | 114.9 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | cis | -126.7 | -178.3 | -21.3 | 34.4 | -15.4 | 0 | 0 | 0 | 112.3 | ||||
| 1006 | G | 28 | Very low | 34 | Very low | 70 Ų | 70 | 107.6 Ų | 107.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 156.1 | 105.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1007 | S | 28.8 | Very low | 33.1 | Very low | 112 Ų | 112 | 106.6 Ų | 106.6 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | 55.6 | 120.3 | 127.6 | -160.2 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1008 | C | 31.6 | Very low | 33.1 | Very low | 118 Ų | 118 | 102.5 Ų | 102.5 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | 163.2 | 121.8 | 110.3 | -84.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1009 | G | 27.6 | Very low | 33.3 | Very low | 70 Ų | 70 | 103.7 Ų | 103.7 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -74.6 | -157.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1010 | P | 48.9 | Very low | 33.3 | Very low | 120 Ų | 120 | 102.2 Ų | 102.2 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | cis | -142.7 | -170.1 | 3.5 | 34.4 | -11.1 | 0 | 0 | 0 | 114.8 | ||||
| 1011 | S | 33.1 | Very low | 33.2 | Very low | 118 Ų | 118 | 99.4 Ų | 99.4 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 89.5 | 128.4 | 153.4 | -34.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1012 | G | 30.1 | Very low | 33 | Very low | 78 Ų | 78 | 96.9 Ų | 96.9 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | cis | 171.6 | 168.2 | 0.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1013 | G | 30.2 | Very low | 32.9 | Very low | 83 Ų | 83 | 100.6 Ų | 100.6 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | 103.1 | 99.2 | 139.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1014 | G | 30.9 | Very low | 32.7 | Very low | 88 Ų | 88 | 100.8 Ų | 100.8 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | 92.4 | 123.7 | 141.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1015 | G | 30.3 | Very low | 32 | Very low | 82 Ų | 82 | 101.3 Ų | 101.3 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | cis | 152.5 | 142.8 | 7.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1016 | G | 30.1 | Very low | 30.6 | Very low | 84 Ų | 84 | 102.8 Ų | 102.8 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | trans | 107.8 | 105.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1017 | G | 31.7 | Very low | 30.8 | Very low | 84 Ų | 84 | 104.5 Ų | 104.5 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | 99.4 | 113.5 | 147.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1018 | G | 29.5 | Very low | 30.9 | Very low | 84 Ų | 84 | 110.6 Ų | 110.6 | 87% | 0.866 | 83% | 0.832 | S | S | * | * | cis | 123.4 | 115.6 | 19.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1019 | G | 30.2 | Very low | 30.8 | Very low | 87 Ų | 87 | 112.7 Ų | 112.7 | 90% | 0.897 | 83% | 0.834 | S | S | * | * | trans | 104.4 | 121.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1020 | G | 28.9 | Very low | 30.9 | Very low | 80 Ų | 80 | 114.5 Ų | 114.5 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | cis | 138.5 | 117.6 | 13.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1021 | G | 29.7 | Very low | 30.1 | Very low | 89 Ų | 89 | 121.7 Ų | 121.7 | 92% | 0.918 | 85% | 0.851 | S | S | * | * | trans | 103.5 | 123.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1022 | G | 28.8 | Very low | 30 | Very low | 77 Ų | 77 | 121.9 Ų | 121.9 | 79% | 0.794 | 85% | 0.852 | S | S | * | * | trans | 127.1 | 75.7 | 139.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1023 | F | 29.1 | Very low | 29.9 | Very low | 206 Ų | 206 | 124.2 Ų | 124.2 | 90% | 0.904 | 85% | 0.854 | S | S | * | * | trans | -63.2 | 124.5 | 146.5 | -91.8 | -95.9 | 0 | 0 | 0 | 109.1 | ||||
| 1024 | N | 27.8 | Very low | 29.9 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 80% | 0.802 | 85% | 0.854 | S | S | * | * | -176 | 128 | 129 | -96.9 | -18.1 | 0 | 0 | 0 | 112.3 | |||||
| 1025 | T | 30.7 | Very low | 29.9 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 73% | 0.73 | 85% | 0.851 | S | S | * | * | trans | -32.4 | 139 | 154.3 | 34.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1026 | I | 27.6 | Very low | 29.8 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 82% | 0.815 | 85% | 0.851 | S | S | * | * | 172.7 | 127.5 | 119.6 | -84.7 | 153.9 | 0 | 0 | 0 | 110.9 | |||||
| 1027 | S | 31.9 | Very low | 29.8 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 74% | 0.741 | 85% | 0.851 | S | S | * | * | trans | 3 | 132.1 | 152.8 | -46.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1028 | R | 29.7 | Very low | 29.7 | Very low | 240 Ų | 240 | 138.5 Ų | 138.5 | 91% | 0.906 | 85% | 0.849 | S | S | * | * | trans | 164.9 | 102.7 | 137.7 | -97.4 | 172.3 | 179 | -173.6 | -0 | 106.8 | ||||
| 1029 | L | 30.4 | Very low | 29.7 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 85% | 0.853 | 85% | 0.848 | S | S | * | * | 32.3 | 130.9 | 70.7 | -108.4 | 158.3 | 0 | 0 | 0 | 113.5 | |||||
| 1030 | V | 30.3 | Very low | 29.7 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 65% | 0.648 | 84% | 0.844 | S | S | * | * | trans | 103.9 | 112.8 | 172.6 | -175.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1031 | F | 31.3 | Very low | 29.7 | Very low | 272 Ų | 272 | 153.5 Ų | 153.5 | 100% | 1.193 | 85% | 0.846 | S | S | * | * | cis | -143.2 | 0 | 15.7 | -93.2 | -63.3 | 0 | 0 | 0 | 111.5 |
Retrieved 1,031 of 1,031 residues in 361.2 ms
(Link to these results)