| 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 | 79.9 | Confident | 84.1 | Confident | 91 Ų | 91 | 55.5 Ų | 55.5 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | 0 | -55.6 | 0 | -82.1 | -58.5 | -90.5 | 0 | 0 | 110.7 | K3 I4 L5 V25 A28 L41 | M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 3.26Å; M1-K3 VanDerWaalsContact O-N 3.14Å; M1-I4 WeakPolarHBondContact O-CB 3.44Å; M1-I4 PolarHBondContact O-N 3.24Å; M1-I4 HydrophobicContact SD-CD1 4.05Å; M1-L5 PolarHBondContact O-N 3.26Å; M1-V25 HydrophobicContact CE-CB 4.33Å; M1-V25 HydrophobicContact CE-CG1 4.39Å; M1-V25 HydrophobicContact CE-CG2 3.94Å; M1-A28 HydrophobicContact CE-CB 3.6Å; M1-L41 HydrophobicContact CB-CD2 4.08Å | |||
| 2 | D | 81 | Confident | 84.1 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 17% | 0.171 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -17.6 | -60.4 | 153 | 67.5 | -46.7 | 0 | 0 | 0 | 115.6 | I4 L5 E6 A40 L41 L44 | D2-I4 VanDerWaalsContact C-N 3.3Å; D2-I4 PolarHBondContact O-N 3.12Å; D2-L5 WeakPolarHBondContact O-CB 3.26Å; D2-L5 PolarHBondContact O-N 3.45Å; D2-E6 WeakPolarHBondContact O-CB 3.44Å; D2-E6 PolarHBondContact O-N 2.92Å; D2-A40 HydrophobicContact CB-CB 4.4Å; D2-L41 HydrophobicContact CB-CD2 4.05Å; D2-L41 VanDerWaalsContact N-CD2 3.28Å; D2-L44 HydrophobicContact CB-CD2 4.06Å; D2-L44 WeakPolarHBondContact O-CD2 3.38Å |
| 3 | K | 86.3 | Confident | 84.3 | Confident | 129 Ų | 129 | 67.2 Ų | 67.2 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.7 | -33.9 | -177.2 | -66.4 | -67.9 | 149 | -165.7 | 0 | 114.2 | M1 E6 A7 | M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 3.26Å; M1-K3 VanDerWaalsContact O-N 3.14Å; K3-E6 IonicContact NZ-OE2 2.73Å; K3-E6 PolarHBondContact NZ-OE2 3.06Å; K3-A7 WeakPolarHBondContact O-CB 3.2Å; K3-A7 PolarHBondContact O-N 3.46Å; K3-A7 VanDerWaalsContact O-N 3.11Å |
| 4 | I | 84.7 | Confident | 84.5 | Confident | 95 Ų | 95 | 68.1 Ų | 68.1 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 175.3 | -58 | 175.5 | 0 | 0 | 0 | 109.3 | M1 D2 A7 V8 | M1-I4 WeakPolarHBondContact O-CB 3.44Å; M1-I4 PolarHBondContact O-N 3.24Å; M1-I4 HydrophobicContact SD-CD1 4.05Å; D2-I4 VanDerWaalsContact C-N 3.3Å; D2-I4 PolarHBondContact O-N 3.12Å; I4-A7 PolarHBondContact O-N 3.34Å; I4-V8 HydrophobicContact CG2-CG2 4.28Å; I4-V8 WeakPolarHBondContact O-CB 3.46Å; I4-V8 WeakPolarHBondContact O-CG2 3.22Å; I4-V8 PolarHBondContact O-N 3.27Å |
| 5 | L | 85.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69 | -41 | 179 | -166.8 | 68.4 | 0 | 0 | 0 | 112.3 | M1 D2 A7 V8 V9 V22 V25 L44 V60 L64 | M1-L5 PolarHBondContact O-N 3.26Å; D2-L5 WeakPolarHBondContact O-CB 3.26Å; D2-L5 PolarHBondContact O-N 3.45Å; L5-A7 VanDerWaalsContact C-N 3.31Å; L5-A7 PolarHBondContact O-N 3.07Å; L5-V8 PolarHBondContact O-N 3.2Å; L5-V9 HydrophobicContact CD1-CG2 4.48Å; L5-V9 HydrophobicContact CG-CG2 4.39Å; L5-V9 WeakPolarHBondContact O-CB 3.43Å; L5-V9 VanDerWaalsContact O-CG2 3.26Å; L5-V9 WeakPolarHBondContact O-CG2 3.44Å; L5-V9 PolarHBondContact O-N 2.84Å; L5-V22 HydrophobicContact CD1-CG2 3.89Å; L5-V25 HydrophobicContact CB-CG1 4.23Å; L5-V25 HydrophobicContact CD1-CB 4.2Å; L5-V25 HydrophobicContact CD1-CG1 4.17Å; L5-V25 HydrophobicContact CD1-CG2 4.34Å; L5-V25 HydrophobicContact CD2-CG1 4.14Å; L5-V25 HydrophobicContact CG-CG1 4.43Å; L5-L44 HydrophobicContact CB-CD2 3.97Å; L5-L44 HydrophobicContact CD2-CD2 4.08Å; L5-L44 HydrophobicContact CG-CD2 4.35Å; L5-V60 HydrophobicContact CD1-CG1 3.85Å; L5-V60 HydrophobicContact CD2-CG1 3.83Å; L5-V60 HydrophobicContact CG-CG1 4.02Å; L5-L64 HydrophobicContact CD2-CD2 3.7Å |
| 6 | E | 85.1 | Confident | 84.3 | Confident | 49 Ų | 49 | 70.6 Ų | 70.6 | 23% | 0.229 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 175.8 | -166.4 | 161.7 | -121.9 | 0 | 0 | 110.7 | D2 K3 T10 L44 R47 | D2-E6 WeakPolarHBondContact O-CB 3.44Å; D2-E6 PolarHBondContact O-N 2.92Å; K3-E6 IonicContact NZ-OE2 2.73Å; K3-E6 PolarHBondContact NZ-OE2 3.06Å; E6-T10 WeakPolarHBondContact O-CG2 3.32Å; E6-T10 PolarHBondContact O-N 3.45Å; E6-T10 PolarHBondContact O-OG1 3.09Å; E6-L44 HydrophobicContact CB-CD1 3.97Å; E6-L44 HydrophobicContact CB-CD2 4.11Å; E6-L44 HydrophobicContact CG-CD1 3.94Å; E6-L44 WeakPolarHBondContact OE1-CD1 3.43Å; E6-R47 IonicContact OE1-CZ 2.65Å; E6-R47 IonicContact OE1-NE 2.73Å; E6-R47 IonicContact OE1-NH2 3.96Å; E6-R47 PolarHBondContact OE1-NH2 3.34Å |
| 7 | A | 84.5 | Confident | 84.4 | Confident | 56 Ų | 56 | 70.4 Ų | 70.4 | 46% | 0.463 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71.1 | -42.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K3 I4 L5 V9 T10 S11 | K3-A7 WeakPolarHBondContact O-CB 3.2Å; K3-A7 PolarHBondContact O-N 3.46Å; K3-A7 VanDerWaalsContact O-N 3.11Å; I4-A7 PolarHBondContact O-N 3.34Å; L5-A7 VanDerWaalsContact C-N 3.31Å; L5-A7 PolarHBondContact O-N 3.07Å; A7-V9 PolarHBondContact O-N 2.93Å; A7-T10 PolarHBondContact O-N 2.82Å; A7-T10 PolarHBondContact O-OG1 3.45Å; A7-S11 VanDerWaalsContact O-CB 3.29Å; A7-S11 WeakPolarHBondContact O-CB 3.24Å; A7-S11 PolarHBondContact O-N 3.17Å |
| 8 | V | 85.9 | Confident | 84.5 | Confident | 10 Ų | 10 | 67.5 Ų | 67.5 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 179.8 | 163.5 | 0 | 0 | 0 | 0 | 111.6 | I4 L5 S11 K18 L21 | I4-V8 HydrophobicContact CG2-CG2 4.28Å; I4-V8 WeakPolarHBondContact O-CB 3.46Å; I4-V8 WeakPolarHBondContact O-CG2 3.22Å; I4-V8 PolarHBondContact O-N 3.27Å; L5-V8 PolarHBondContact O-N 3.2Å; V8-S11 PolarHBondContact O-OG 3.12Å; V8-K18 HydrophobicContact CG1-CB 4.33Å; V8-K18 HydrophobicContact CG1-CG 4.36Å; V8-K18 WeakPolarHBondContact O-CE 3.18Å; V8-L21 HydrophobicContact CG1-CB 4.01Å; V8-L21 HydrophobicContact CG1-CD1 4.34Å; V8-L21 HydrophobicContact CG2-CB 4.08Å; V8-L21 HydrophobicContact CG2-CD1 3.66Å; V8-L21 HydrophobicContact CG2-CG 4.49Å |
| 9 | V | 82.8 | Confident | 84.5 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.055 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 179.3 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L5 A7 K18 L48 P57 V60 | L5-V9 HydrophobicContact CD1-CG2 4.48Å; L5-V9 HydrophobicContact CG-CG2 4.39Å; L5-V9 WeakPolarHBondContact O-CB 3.43Å; L5-V9 VanDerWaalsContact O-CG2 3.26Å; L5-V9 WeakPolarHBondContact O-CG2 3.44Å; L5-V9 PolarHBondContact O-N 2.84Å; A7-V9 PolarHBondContact O-N 2.93Å; V9-K18 PolarHBondContact O-NZ 3.16Å; V9-L48 HydrophobicContact CG1-CD2 4.18Å; V9-L48 HydrophobicContact CG2-CD1 4.32Å; V9-P57 HydrophobicContact CG1-CB 3.65Å; V9-P57 HydrophobicContact CG1-CG 3.59Å; V9-V60 HydrophobicContact CG2-CB 4.43Å; V9-V60 HydrophobicContact CG2-CG1 4.04Å; V9-V60 HydrophobicContact CG2-CG2 4.48Å |
| 10 | T | 82.2 | Confident | 84.6 | Confident | 112 Ų | 112 | 66.4 Ų | 66.4 | 69% | 0.687 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -80.2 | -15.1 | -179.6 | 53.1 | 0 | 0 | 0 | 0 | 115.1 | E6 A7 | E6-T10 WeakPolarHBondContact O-CG2 3.32Å; E6-T10 PolarHBondContact O-N 3.45Å; E6-T10 PolarHBondContact O-OG1 3.09Å; A7-T10 PolarHBondContact O-N 2.82Å; A7-T10 PolarHBondContact O-OG1 3.45Å |
| 11 | S | 86.6 | Confident | 84.6 | Confident | 27 Ų | 27 | 66 Ų | 66 | 19% | 0.189 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -63.5 | 164.6 | 178.9 | 69.9 | 0 | 0 | 0 | 0 | 114.6 | A7 V8 Y13 K18 | A7-S11 VanDerWaalsContact O-CB 3.29Å; A7-S11 WeakPolarHBondContact O-CB 3.24Å; A7-S11 PolarHBondContact O-N 3.17Å; V8-S11 PolarHBondContact O-OG 3.12Å; S11-Y13 VanDerWaalsContact C-N 3.3Å; S11-Y13 WeakPolarHBondContact OG-CD2 3.47Å; S11-Y13 PolarHBondContact OG-N 2.73Å; S11-K18 WeakPolarHBondContact O-CE 3.4Å; S11-K18 PolarHBondContact O-NZ 2.97Å; S11-K18 WeakPolarHBondContact OG-CE 3.42Å |
| 12 | S | 84.5 | Confident | 85 | Confident | 127 Ų | 127 | 62 Ų | 62 | 89% | 0.888 | 36% | 0.359 | S | S | * | . | trans | -85.6 | 12.1 | 168.2 | 52.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 13 | Y | 87 | Confident | 85.3 | Confident | 136 Ų | 136 | 67.8 Ų | 67.8 | 53% | 0.533 | 38% | 0.379 | S | S | . | . | trans | -64.2 | 148.2 | -177.7 | -70.7 | -50.5 | 0 | 0 | 0 | 113.1 | S11 V17 K18 | S11-Y13 VanDerWaalsContact C-N 3.3Å; S11-Y13 WeakPolarHBondContact OG-CD2 3.47Å; S11-Y13 PolarHBondContact OG-N 2.73Å; Y13-V17 HydrophobicContact CG-CG1 4.49Å; Y13-K18 VanDerWaalsContact O-CE 3.28Å; Y13-K18 WeakPolarHBondContact O-CE 3.15Å | ||
| 14 | P | 86.6 | Confident | 85.3 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | trans | -54.2 | 145.7 | 174.1 | -26 | 34.5 | 0 | 0 | 0 | 112.9 | S16 V17 K18 | P14-S16 PolarHBondContact O-N 2.77Å; P14-S16 VanDerWaalsContact O-N 3.16Å; P14-V17 HydrophobicContact CB-CG2 4.28Å; P14-V17 HydrophobicContact CG-CG2 4.42Å; P14-V17 WeakPolarHBondContact O-CA 3.37Å; P14-V17 WeakPolarHBondContact O-CB 3.45Å; P14-V17 PolarHBondContact O-N 2.88Å; P14-K18 PolarHBondContact O-N 2.7Å | ||
| 15 | V | 82.9 | Confident | 85.4 | Confident | 89 Ų | 89 | 66.1 Ų | 66.1 | 54% | 0.539 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.4 | -37 | -174.8 | 179.2 | 0 | 0 | 0 | 0 | 112.5 | K18 Q19 | V15-K18 PolarHBondContact O-N 2.85Å; V15-Q19 HydrophobicContact CG1-CG 4.36Å; V15-Q19 WeakPolarHBondContact O-CB 3.31Å; V15-Q19 VanDerWaalsContact O-CG 3.29Å; V15-Q19 WeakPolarHBondContact O-CG 3.44Å; V15-Q19 PolarHBondContact O-N 2.95Å |
| 16 | S | 83.5 | Confident | 85.5 | Confident | 87 Ų | 87 | 67 Ų | 67 | 61% | 0.608 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 174.6 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | P14 Q19 G20 | P14-S16 PolarHBondContact O-N 2.77Å; P14-S16 VanDerWaalsContact O-N 3.16Å; S16-Q19 PolarHBondContact O-N 2.9Å; S16-G20 PolarHBondContact O-N 3.27Å |
| 17 | V | 84.8 | Confident | 85.6 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 40% | 0.4 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.6 | -45.4 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | Y13 P14 Q19 G20 L21 | Y13-V17 HydrophobicContact CG-CG1 4.49Å; P14-V17 HydrophobicContact CB-CG2 4.28Å; P14-V17 HydrophobicContact CG-CG2 4.42Å; P14-V17 WeakPolarHBondContact O-CA 3.37Å; P14-V17 WeakPolarHBondContact O-CB 3.45Å; P14-V17 PolarHBondContact O-N 2.88Å; V17-Q19 VanDerWaalsContact C-N 3.34Å; V17-Q19 PolarHBondContact O-N 2.77Å; V17-G20 PolarHBondContact O-N 3.38Å; V17-L21 HydrophobicContact CG1-CD1 4.09Å; V17-L21 WeakPolarHBondContact O-CG 3.37Å; V17-L21 PolarHBondContact O-N 2.86Å |
| 18 | K | 86.9 | Confident | 85.6 | Confident | 19 Ų | 19 | 68.7 Ų | 68.7 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -55.4 | -48.6 | 173.5 | -69.9 | -168.9 | 178.2 | -169 | 0 | 111.1 | V8 V9 S11 Y13 P14 V15 G20 L21 V22 L56 | V8-K18 HydrophobicContact CG1-CB 4.33Å; V8-K18 HydrophobicContact CG1-CG 4.36Å; V8-K18 WeakPolarHBondContact O-CE 3.18Å; V9-K18 PolarHBondContact O-NZ 3.16Å; S11-K18 WeakPolarHBondContact O-CE 3.4Å; S11-K18 PolarHBondContact O-NZ 2.97Å; S11-K18 WeakPolarHBondContact OG-CE 3.42Å; Y13-K18 VanDerWaalsContact O-CE 3.28Å; Y13-K18 WeakPolarHBondContact O-CE 3.15Å; P14-K18 PolarHBondContact O-N 2.7Å; V15-K18 PolarHBondContact O-N 2.85Å; K18-G20 PolarHBondContact O-N 2.59Å; K18-L21 PolarHBondContact O-N 2.9Å; K18-V22 WeakPolarHBondContact O-CB 3.25Å; K18-V22 WeakPolarHBondContact O-CG2 3.49Å; K18-V22 PolarHBondContact O-N 2.73Å; K18-L56 HydrophobicContact CB-CD2 4.15Å; K18-L56 HydrophobicContact CD-CD2 3.66Å |
| 19 | Q | 85.4 | Confident | 85.6 | Confident | 78 Ų | 78 | 68.3 Ų | 68.3 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 178.3 | -74.4 | -178 | 21.2 | 0 | 0 | 113 | V15 S16 V17 V22 R23 | V15-Q19 HydrophobicContact CG1-CG 4.36Å; V15-Q19 WeakPolarHBondContact O-CB 3.31Å; V15-Q19 VanDerWaalsContact O-CG 3.29Å; V15-Q19 WeakPolarHBondContact O-CG 3.44Å; V15-Q19 PolarHBondContact O-N 2.95Å; S16-Q19 PolarHBondContact O-N 2.9Å; V17-Q19 VanDerWaalsContact C-N 3.34Å; V17-Q19 PolarHBondContact O-N 2.77Å; Q19-V22 PolarHBondContact O-N 2.89Å; Q19-R23 WeakPolarHBondContact O-CG 3.37Å; Q19-R23 PolarHBondContact O-N 2.88Å |
| 20 | G | 85.1 | Confident | 85.9 | Confident | 34 Ų | 34 | 74.4 Ų | 74.4 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | S16 V17 K18 R24 | S16-G20 PolarHBondContact O-N 3.27Å; V17-G20 PolarHBondContact O-N 3.38Å; K18-G20 PolarHBondContact O-N 2.59Å; G20-R24 PolarHBondContact O-N 3.06Å |
| 21 | L | 85.8 | Confident | 86.2 | Confident | 58 Ų | 58 | 75 Ų | 75 | 30% | 0.304 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.7 | -40.8 | 176.5 | -66.3 | 173.6 | 0 | 0 | 0 | 112 | V8 V17 K18 R23 R24 V25 | V8-L21 HydrophobicContact CG1-CB 4.01Å; V8-L21 HydrophobicContact CG1-CD1 4.34Å; V8-L21 HydrophobicContact CG2-CB 4.08Å; V8-L21 HydrophobicContact CG2-CD1 3.66Å; V8-L21 HydrophobicContact CG2-CG 4.49Å; V17-L21 HydrophobicContact CG1-CD1 4.09Å; V17-L21 WeakPolarHBondContact O-CG 3.37Å; V17-L21 PolarHBondContact O-N 2.86Å; K18-L21 PolarHBondContact O-N 2.9Å; L21-R23 PolarHBondContact O-N 2.93Å; L21-R24 PolarHBondContact O-N 2.92Å; L21-V25 WeakPolarHBondContact O-CG2 3.47Å; L21-V25 PolarHBondContact O-N 3.13Å; L21-V25 VanDerWaalsContact O-N 3.08Å |
| 22 | V | 88.2 | Confident | 86.1 | Confident | 8 Ų | 8 | 79.4 Ų | 79.4 | 5% | 0.048 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -55.9 | -47.3 | 172.6 | 163 | 0 | 0 | 0 | 0 | 111.3 | L5 K18 Q19 R24 V25 L26 V60 | L5-V22 HydrophobicContact CD1-CG2 3.89Å; K18-V22 WeakPolarHBondContact O-CB 3.25Å; K18-V22 WeakPolarHBondContact O-CG2 3.49Å; K18-V22 PolarHBondContact O-N 2.73Å; Q19-V22 PolarHBondContact O-N 2.89Å; V22-R24 PolarHBondContact O-N 3.17Å; V22-V25 PolarHBondContact O-N 2.84Å; V22-L26 HydrophobicContact CG1-CD1 3.78Å; V22-L26 HydrophobicContact CG1-CG 4.33Å; V22-L26 WeakPolarHBondContact O-CG 3.27Å; V22-L26 PolarHBondContact O-N 2.83Å; V22-V60 HydrophobicContact CB-CG2 4.46Å; V22-V60 HydrophobicContact CG1-CG1 4.5Å; V22-V60 HydrophobicContact CG1-CG2 3.9Å; V22-V60 HydrophobicContact CG2-CG1 4.31Å; V22-V60 HydrophobicContact CG2-CG2 3.66Å |
| 23 | R | 87.8 | Confident | 86.3 | Confident | 154 Ų | 154 | 75.4 Ų | 75.4 | 58% | 0.581 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -57.5 | -48 | 178.8 | -74.3 | 177.2 | -167.1 | 178.5 | 5.9 | 111.7 | Q19 L21 V25 L26 E27 | Q19-R23 WeakPolarHBondContact O-CG 3.37Å; Q19-R23 PolarHBondContact O-N 2.88Å; L21-R23 PolarHBondContact O-N 2.93Å; R23-V25 VanDerWaalsContact C-N 3.32Å; R23-V25 PolarHBondContact O-N 2.86Å; R23-L26 PolarHBondContact O-N 2.94Å; R23-L26 VanDerWaalsContact O-N 3.15Å; R23-E27 WeakPolarHBondContact O-CB 3.49Å; R23-E27 VanDerWaalsContact O-CG 3.3Å; R23-E27 WeakPolarHBondContact O-CG 3.37Å; R23-E27 PolarHBondContact O-N 3.01Å |
| 24 | R | 86.3 | Confident | 86.4 | Confident | 182 Ų | 182 | 75.3 Ų | 75.3 | 69% | 0.687 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.9 | -37 | 177.2 | -70.9 | -178.3 | 175.4 | -175.2 | -1.3 | 113.2 | G20 L21 V22 A28 | G20-R24 PolarHBondContact O-N 3.06Å; L21-R24 PolarHBondContact O-N 2.92Å; V22-R24 PolarHBondContact O-N 3.17Å; R24-A28 WeakPolarHBondContact O-CB 3.5Å; R24-A28 PolarHBondContact O-N 2.7Å |
| 25 | V | 85.2 | Confident | 86.5 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 175.1 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | M1 L5 L21 V22 R23 A28 A29 | M1-V25 HydrophobicContact CE-CB 4.33Å; M1-V25 HydrophobicContact CE-CG1 4.39Å; M1-V25 HydrophobicContact CE-CG2 3.94Å; L5-V25 HydrophobicContact CB-CG1 4.23Å; L5-V25 HydrophobicContact CD1-CB 4.2Å; L5-V25 HydrophobicContact CD1-CG1 4.17Å; L5-V25 HydrophobicContact CD1-CG2 4.34Å; L5-V25 HydrophobicContact CD2-CG1 4.14Å; L5-V25 HydrophobicContact CG-CG1 4.43Å; L21-V25 WeakPolarHBondContact O-CG2 3.47Å; L21-V25 PolarHBondContact O-N 3.13Å; L21-V25 VanDerWaalsContact O-N 3.08Å; V22-V25 PolarHBondContact O-N 2.84Å; R23-V25 VanDerWaalsContact C-N 3.32Å; R23-V25 PolarHBondContact O-N 2.86Å; V25-A28 PolarHBondContact O-N 2.84Å; V25-A29 WeakPolarHBondContact O-CB 3.47Å; V25-A29 PolarHBondContact O-N 2.85Å |
| 26 | L | 87.6 | Confident | 86.8 | Confident | 19 Ų | 19 | 80.5 Ų | 80.5 | 10% | 0.099 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.5 | -35.2 | 175.9 | -67.8 | 172.3 | 0 | 0 | 0 | 112.4 | V22 R23 A29 Q63 L64 V67 | V22-L26 HydrophobicContact CG1-CD1 3.78Å; V22-L26 HydrophobicContact CG1-CG 4.33Å; V22-L26 WeakPolarHBondContact O-CG 3.27Å; V22-L26 PolarHBondContact O-N 2.83Å; R23-L26 PolarHBondContact O-N 2.94Å; R23-L26 VanDerWaalsContact O-N 3.15Å; L26-A29 PolarHBondContact O-N 3.49Å; L26-Q63 HydrophobicContact CD1-CB 3.89Å; L26-Q63 HydrophobicContact CD2-CB 4.13Å; L26-L64 HydrophobicContact CD2-CB 4.12Å; L26-L64 HydrophobicContact CD2-CD1 4.12Å; L26-V67 HydrophobicContact CD2-CG2 4.35Å |
| 27 | E | 87.2 | Confident | 87 | Confident | 105 Ų | 105 | 80.4 Ų | 80.4 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 173.3 | -74.8 | 157.3 | -169.1 | 0 | 0 | 111.3 | R23 A29 R30 | R23-E27 WeakPolarHBondContact O-CB 3.49Å; R23-E27 VanDerWaalsContact O-CG 3.3Å; R23-E27 WeakPolarHBondContact O-CG 3.37Å; R23-E27 PolarHBondContact O-N 3.01Å; E27-A29 VanDerWaalsContact C-N 3.33Å; E27-A29 PolarHBondContact O-N 3.07Å; E27-R30 WeakPolarHBondContact O-CB 3.18Å; E27-R30 PolarHBondContact O-N 2.58Å |
| 28 | A | 85.1 | Confident | 87.2 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 29% | 0.289 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1 R24 V25 R30 Q31 | M1-A28 HydrophobicContact CE-CB 3.6Å; R24-A28 WeakPolarHBondContact O-CB 3.5Å; R24-A28 PolarHBondContact O-N 2.7Å; V25-A28 PolarHBondContact O-N 2.84Å; A28-R30 PolarHBondContact O-N 2.9Å; A28-R30 VanDerWaalsContact O-N 3.16Å; A28-Q31 WeakPolarHBondContact O-CB 3.44Å; A28-Q31 PolarHBondContact O-N 3.18Å; A28-Q31 VanDerWaalsContact O-N 3.1Å |
| 29 | A | 86.3 | Confident | 87.3 | Confident | 2 Ų | 2 | 78.2 Ų | 78.2 | 2% | 0.017 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V25 L26 E27 L41 L64 V67 H72 | V25-A29 WeakPolarHBondContact O-CB 3.47Å; V25-A29 PolarHBondContact O-N 2.85Å; L26-A29 PolarHBondContact O-N 3.49Å; E27-A29 VanDerWaalsContact C-N 3.33Å; E27-A29 PolarHBondContact O-N 3.07Å; A29-L41 HydrophobicContact CB-CD1 4.29Å; A29-L64 HydrophobicContact CB-CD1 4.18Å; A29-V67 HydrophobicContact CB-CG1 4.01Å; A29-H72 PolarHBondContact O-NE2 3.3Å; A29-H72 VanDerWaalsContact O-NE2 3.09Å |
| 30 | R | 89.3 | Confident | 87.5 | Confident | 138 Ų | 138 | 76.1 Ų | 76.1 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -17.7 | 173.3 | -62.8 | 176 | 179.4 | 172.8 | -1.6 | 113.9 | E27 A28 V67 H71 | E27-R30 WeakPolarHBondContact O-CB 3.18Å; E27-R30 PolarHBondContact O-N 2.58Å; A28-R30 PolarHBondContact O-N 2.9Å; A28-R30 VanDerWaalsContact O-N 3.16Å; R30-V67 HydrophobicContact CG-CG1 3.67Å; R30-H71 PolarHBondContact O-ND1 3.19Å |
| 31 | Q | 88.9 | Confident | 87.7 | Confident | 123 Ų | 123 | 74.7 Ų | 74.7 | 58% | 0.575 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -75.9 | 161.3 | 177.4 | -59.3 | -59.1 | -27.6 | 0 | 0 | 110.3 | A28 L33 H72 | A28-Q31 WeakPolarHBondContact O-CB 3.44Å; A28-Q31 PolarHBondContact O-N 3.18Å; A28-Q31 VanDerWaalsContact O-N 3.1Å; Q31-L33 PolarHBondContact O-N 2.83Å; Q31-H72 PolarHBondContact O-CE1 3.19Å; Q31-H72 PolarHBondContact O-NE2 2.86Å |
| 32 | P | 84.1 | Confident | 87.9 | Confident | 121 Ų | 121 | 71.9 Ų | 71.9 | 79% | 0.786 | 34% | 0.337 | S | S | * | . | trans | -54.7 | 132.9 | 169.7 | -24.4 | 35.1 | 0 | 0 | 0 | 111 | ||||
| 33 | L | 87.8 | Confident | 87.9 | Confident | 42 Ų | 42 | 72.3 Ų | 72.3 | 22% | 0.22 | 34% | 0.341 | C | S | . | . | trans | -128.5 | 148.7 | -180 | -68.2 | 179.1 | 0 | 0 | 0 | 110 | Q31 C38 L41 | Q31-L33 PolarHBondContact O-N 2.83Å; L33-C38 HydrophobicContact CB-CB 4.32Å; L33-L41 HydrophobicContact CD1-CD1 3.52Å | ||
| 34 | E | 89 | Confident | 87.9 | Confident | 134 Ų | 134 | 65 Ų | 65 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | trans | -65.9 | 148.5 | 169 | -60.9 | 176.3 | 152.6 | 0 | 0 | 110.5 | E36 Q37 C38 | E34-E36 VanDerWaalsContact C-N 3.29Å; E34-E36 PolarHBondContact O-N 3.1Å; E34-Q37 HydrophobicContact CB-CG 4.04Å; E34-Q37 WeakPolarHBondContact O-CB 3.49Å; E34-Q37 PolarHBondContact O-N 3.39Å; E34-Q37 PolarHBondContact OE2-NE2 3.11Å; E34-C38 PolarHBondContact O-N 3.37Å | ||
| 35 | R | 89.5 | Confident | 87.9 | Confident | 130 Ų | 130 | 56.4 Ų | 56.4 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -48.9 | -47.3 | -176.6 | 173.7 | 172 | 161.3 | -95.3 | -0.3 | 112.9 | C38 L39 V75 E78 | R35-C38 PolarHBondContact O-N 2.83Å; R35-L39 HydrophobicContact CG-CD1 3.91Å; R35-L39 HydrophobicContact CG-CG 4.43Å; R35-L39 WeakPolarHBondContact O-CB 3.39Å; R35-L39 VanDerWaalsContact O-CG 3.27Å; R35-L39 WeakPolarHBondContact O-CG 3.33Å; R35-L39 PolarHBondContact O-N 2.87Å; R35-V75 HydrophobicContact CG-CG1 4.38Å; R35-E78 IonicContact CZ-OE1 3.36Å; R35-E78 IonicContact CZ-OE2 3.3Å; R35-E78 IonicContact NE-OE1 2.73Å; R35-E78 IonicContact NE-OE2 2.76Å; R35-E78 PolarHBondContact NE-OE2 3.32Å; R35-E78 IonicContact NH2-OE1 3.63Å; R35-E78 PolarHBondContact NH2-OE1 3.35Å; R35-E78 IonicContact NH2-OE2 2.67Å |
| 36 | E | 88.8 | Confident | 88 | Confident | 149 Ų | 149 | 57 Ų | 57 | 70% | 0.696 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.1 | -37.5 | -179.3 | -58.5 | -163.9 | 162.6 | 0 | 0 | 112.8 | E34 L39 A40 | E34-E36 VanDerWaalsContact C-N 3.29Å; E34-E36 PolarHBondContact O-N 3.1Å; E36-L39 PolarHBondContact O-N 2.91Å; E36-A40 WeakPolarHBondContact O-CB 3.48Å; E36-A40 PolarHBondContact O-N 3.35Å |
| 37 | Q | 88.2 | Confident | 88 | Confident | 85 Ų | 85 | 62 Ų | 62 | 40% | 0.397 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 177.1 | -57.4 | -178.3 | 22.4 | 0 | 0 | 111.3 | E34 A40 L41 | E34-Q37 HydrophobicContact CB-CG 4.04Å; E34-Q37 WeakPolarHBondContact O-CB 3.49Å; E34-Q37 PolarHBondContact O-N 3.39Å; E34-Q37 PolarHBondContact OE2-NE2 3.11Å; Q37-A40 PolarHBondContact O-N 2.8Å; Q37-L41 WeakPolarHBondContact O-CG 3.33Å; Q37-L41 PolarHBondContact O-N 2.84Å; Q37-L41 VanDerWaalsContact O-N 3.08Å |
| 38 | C | 88.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.9 | -46.3 | 175 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | L33 E34 R35 A40 L41 L42 H72 V75 | L33-C38 HydrophobicContact CB-CB 4.32Å; E34-C38 PolarHBondContact O-N 3.37Å; R35-C38 PolarHBondContact O-N 2.83Å; C38-A40 VanDerWaalsContact C-N 3.29Å; C38-A40 PolarHBondContact O-N 2.98Å; C38-L41 PolarHBondContact O-N 2.82Å; C38-L42 WeakPolarHBondContact O-CG 3.44Å; C38-L42 PolarHBondContact O-N 3.35Å; C38-H72 VanDerWaalsContact SG-CB 3.56Å; C38-V75 HydrophobicContact CB-CG1 3.99Å |
| 39 | L | 89.6 | Confident | 88 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.2 | -37.3 | 174.9 | -71.8 | 173.4 | 0 | 0 | 0 | 112.5 | R35 E36 A43 V75 F79 | R35-L39 HydrophobicContact CG-CD1 3.91Å; R35-L39 HydrophobicContact CG-CG 4.43Å; R35-L39 WeakPolarHBondContact O-CB 3.39Å; R35-L39 VanDerWaalsContact O-CG 3.27Å; R35-L39 WeakPolarHBondContact O-CG 3.33Å; R35-L39 PolarHBondContact O-N 2.87Å; E36-L39 PolarHBondContact O-N 2.91Å; L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 2.7Å; L39-V75 HydrophobicContact CD2-CG1 3.71Å; L39-V75 HydrophobicContact CG-CG1 3.71Å; L39-F79 HydrophobicContact CD2-CB 3.93Å; L39-F79 HydrophobicContact CD2-CD2 3.99Å; L39-F79 HydrophobicContact CD2-CG 4.48Å |
| 40 | A | 88.9 | Confident | 87.8 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 28% | 0.281 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D2 E36 Q37 C38 A43 L44 | D2-A40 HydrophobicContact CB-CB 4.4Å; E36-A40 WeakPolarHBondContact O-CB 3.48Å; E36-A40 PolarHBondContact O-N 3.35Å; Q37-A40 PolarHBondContact O-N 2.8Å; C38-A40 VanDerWaalsContact C-N 3.29Å; C38-A40 PolarHBondContact O-N 2.98Å; A40-A43 PolarHBondContact O-N 2.92Å; A40-L44 PolarHBondContact O-N 3.15Å |
| 41 | L | 89.3 | Confident | 87.4 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63 | -47.6 | 174.7 | -75.6 | 173.1 | 0 | 0 | 0 | 111.9 | M1 D2 A29 L33 Q37 C38 A43 L44 G45 L64 | M1-L41 HydrophobicContact CB-CD2 4.08Å; D2-L41 HydrophobicContact CB-CD2 4.05Å; D2-L41 VanDerWaalsContact N-CD2 3.28Å; A29-L41 HydrophobicContact CB-CD1 4.29Å; L33-L41 HydrophobicContact CD1-CD1 3.52Å; Q37-L41 WeakPolarHBondContact O-CG 3.33Å; Q37-L41 PolarHBondContact O-N 2.84Å; Q37-L41 VanDerWaalsContact O-N 3.08Å; C38-L41 PolarHBondContact O-N 2.82Å; L41-A43 VanDerWaalsContact C-N 3.3Å; L41-A43 PolarHBondContact O-N 3.15Å; L41-L44 PolarHBondContact O-N 2.99Å; L41-G45 PolarHBondContact O-N 3.24Å; L41-L64 HydrophobicContact CB-CD1 4.35Å; L41-L64 HydrophobicContact CB-CD2 4.29Å; L41-L64 HydrophobicContact CD2-CD1 4.15Å; L41-L64 HydrophobicContact CD2-CD2 4.12Å; L41-L64 WeakPolarHBondContact O-CD2 3.4Å |
| 42 | L | 89.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -40 | 176.2 | -70.3 | 172.5 | 0 | 0 | 0 | 111.4 | C38 L44 G45 A46 L65 A68 F76 F79 | C38-L42 WeakPolarHBondContact O-CG 3.44Å; C38-L42 PolarHBondContact O-N 3.35Å; L42-L44 PolarHBondContact O-N 2.63Å; L42-G45 PolarHBondContact O-N 2.92Å; L42-A46 PolarHBondContact O-N 2.81Å; L42-L65 HydrophobicContact CD2-CD2 4.09Å; L42-A68 HydrophobicContact CD2-CB 3.55Å; L42-A68 HydrophobicContact CG-CB 4.05Å; L42-F76 HydrophobicContact CD1-CD2 3.94Å; L42-F76 HydrophobicContact CD2-CD2 3.65Å; L42-F76 HydrophobicContact CD2-CE2 3.93Å; L42-F76 HydrophobicContact CG-CD2 4.47Å; L42-F79 HydrophobicContact CB-CD1 4.05Å; L42-F79 HydrophobicContact CB-CD2 3.46Å; L42-F79 VanDerWaalsContact CB-CD2 3.46Å; L42-F79 HydrophobicContact CB-CE1 3.99Å; L42-F79 HydrophobicContact CB-CE2 3.36Å; L42-F79 HydrophobicContact CB-CG 3.81Å; L42-F79 HydrophobicContact CB-CZ 3.65Å; L42-F79 HydrophobicContact CD1-CB 3.86Å; L42-F79 HydrophobicContact CD1-CD1 4.32Å; L42-F79 HydrophobicContact CD1-CD2 4.1Å; L42-F79 HydrophobicContact CD1-CG 3.84Å; L42-F79 HydrophobicContact CG-CD2 4.43Å; L42-F79 HydrophobicContact CG-CG 4.43Å; L42-F79 WeakPolarHBondContact O-CZ 3.22Å |
| 43 | A | 88.4 | Confident | 86.2 | Confident | 17 Ų | 17 | 50 Ų | 50 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L39 A40 L41 R47 F79 | L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 2.7Å; A40-A43 PolarHBondContact O-N 2.92Å; L41-A43 VanDerWaalsContact C-N 3.3Å; L41-A43 PolarHBondContact O-N 3.15Å; A43-R47 WeakPolarHBondContact O-CG 3.24Å; A43-R47 PolarHBondContact O-N 2.91Å; A43-R47 PolarHBondContact O-NH1 3.01Å; A43-F79 HydrophobicContact CB-CE2 4.05Å |
| 44 | L | 87.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.9 | -45.5 | 172.9 | 178.8 | 63.9 | 0 | 0 | 0 | 111.5 | D2 L5 E6 A40 L41 L42 A46 R47 L48 | D2-L44 HydrophobicContact CB-CD2 4.06Å; D2-L44 WeakPolarHBondContact O-CD2 3.38Å; L5-L44 HydrophobicContact CB-CD2 3.97Å; L5-L44 HydrophobicContact CD2-CD2 4.08Å; L5-L44 HydrophobicContact CG-CD2 4.35Å; E6-L44 HydrophobicContact CB-CD1 3.97Å; E6-L44 HydrophobicContact CB-CD2 4.11Å; E6-L44 HydrophobicContact CG-CD1 3.94Å; E6-L44 WeakPolarHBondContact OE1-CD1 3.43Å; A40-L44 PolarHBondContact O-N 3.15Å; L41-L44 PolarHBondContact O-N 2.99Å; L42-L44 PolarHBondContact O-N 2.63Å; L44-A46 VanDerWaalsContact C-N 3.32Å; L44-A46 PolarHBondContact O-N 2.79Å; L44-R47 PolarHBondContact O-N 2.95Å; L44-R47 VanDerWaalsContact O-N 3.11Å; L44-L48 HydrophobicContact CD1-CD1 3.91Å; L44-L48 HydrophobicContact CD1-CD2 4.26Å; L44-L48 HydrophobicContact CD1-CG 3.81Å; L44-L48 HydrophobicContact CD2-CD1 4.33Å; L44-L48 HydrophobicContact CG-CD1 3.8Å; L44-L48 HydrophobicContact CG-CG 4.11Å; L44-L48 WeakPolarHBondContact O-CG 3.49Å; L44-L48 PolarHBondContact O-N 2.87Å |
| 45 | G | 87.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.9 | -45.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L41 L42 L48 Y49 G61 | L41-G45 PolarHBondContact O-N 3.24Å; L42-G45 PolarHBondContact O-N 2.92Å; G45-L48 PolarHBondContact O-N 2.64Å; G45-Y49 VanDerWaalsContact O-CB 3.27Å; G45-Y49 WeakPolarHBondContact O-CB 3.46Å; G45-Y49 PolarHBondContact O-N 2.96Å; G45-G61 WeakPolarHBondContact O-CA 3.43Å |
| 46 | A | 86.9 | Confident | 85.2 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L42 L44 V50 L65 F79 | L42-A46 PolarHBondContact O-N 2.81Å; L44-A46 VanDerWaalsContact C-N 3.32Å; L44-A46 PolarHBondContact O-N 2.79Å; A46-V50 WeakPolarHBondContact O-CG2 3.3Å; A46-V50 PolarHBondContact O-N 2.71Å; A46-V50 VanDerWaalsContact O-N 3.13Å; A46-L65 HydrophobicContact CB-CD2 4.41Å; A46-F79 HydrophobicContact CB-CZ 4.13Å |
| 47 | R | 86.8 | Confident | 85 | Confident | 124 Ų | 124 | 42 Ų | 42 | 47% | 0.468 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.5 | -49.3 | 175.5 | -74.4 | -163.9 | -55.4 | -84.5 | 9.2 | 111.7 | E6 A43 L44 G51 | E6-R47 IonicContact OE1-CZ 2.65Å; E6-R47 IonicContact OE1-NE 2.73Å; E6-R47 IonicContact OE1-NH2 3.96Å; E6-R47 PolarHBondContact OE1-NH2 3.34Å; A43-R47 WeakPolarHBondContact O-CG 3.24Å; A43-R47 PolarHBondContact O-N 2.91Å; A43-R47 PolarHBondContact O-NH1 3.01Å; L44-R47 PolarHBondContact O-N 2.95Å; L44-R47 VanDerWaalsContact O-N 3.11Å; R47-G51 WeakPolarHBondContact O-CA 3.2Å; R47-G51 PolarHBondContact O-N 2.88Å |
| 48 | L | 86.1 | Confident | 84.9 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67 | -36.5 | -177.5 | -67.5 | 179.9 | 0 | 0 | 0 | 112.7 | V9 L44 G45 G52 P57 V60 | V9-L48 HydrophobicContact CG1-CD2 4.18Å; V9-L48 HydrophobicContact CG2-CD1 4.32Å; L44-L48 HydrophobicContact CD1-CD1 3.91Å; L44-L48 HydrophobicContact CD1-CD2 4.26Å; L44-L48 HydrophobicContact CD1-CG 3.81Å; L44-L48 HydrophobicContact CD2-CD1 4.33Å; L44-L48 HydrophobicContact CG-CD1 3.8Å; L44-L48 HydrophobicContact CG-CG 4.11Å; L44-L48 WeakPolarHBondContact O-CG 3.49Å; L44-L48 PolarHBondContact O-N 2.87Å; G45-L48 PolarHBondContact O-N 2.64Å; L48-G52 WeakPolarHBondContact O-CA 3.44Å; L48-G52 PolarHBondContact O-N 3.32Å; L48-G52 VanDerWaalsContact O-N 3.16Å; L48-P57 HydrophobicContact CD2-CB 4.44Å; L48-V60 HydrophobicContact CD1-CG1 4.31Å |
| 49 | Y | 85.9 | Confident | 84.9 | Confident | 48 Ų | 48 | 48.4 Ų | 48.4 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.2 | -45.3 | 179.3 | -175.2 | -109.6 | 0 | 0 | 0 | 112.9 | G45 R58 C62 A102 C103 | G45-Y49 VanDerWaalsContact O-CB 3.27Å; G45-Y49 WeakPolarHBondContact O-CB 3.46Å; G45-Y49 PolarHBondContact O-N 2.96Å; Y49-R58 WeakPolarHBondContact CD2-O 3.35Å; Y49-C62 HydrophobicContact CD2-CB 3.61Å; Y49-C62 HydrophobicContact CE2-CB 3.7Å; Y49-A102 HydrophobicContact CE1-CB 4.3Å; Y49-A102 WeakPolarHBondContact OH-CB 3.46Å; Y49-C103 HydrophobicContact CD1-CB 3.66Å; Y49-C103 HydrophobicContact CE1-CB 3.71Å |
| 50 | V | 83.1 | Confident | 84.8 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 26% | 0.255 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -82.3 | -49.4 | -176.3 | -178 | 0 | 0 | 0 | 0 | 111.3 | A46 L88 R99 C103 | A46-V50 WeakPolarHBondContact O-CG2 3.3Å; A46-V50 PolarHBondContact O-N 2.71Å; A46-V50 VanDerWaalsContact O-N 3.13Å; V50-L88 HydrophobicContact CG1-CD1 4.31Å; V50-L88 HydrophobicContact CG2-CD1 3.93Å; V50-R99 HydrophobicContact CG1-CB 4.44Å; V50-R99 VanDerWaalsContact O-CD 3.26Å; V50-R99 WeakPolarHBondContact O-CD 3.42Å; V50-C103 HydrophobicContact CG2-CB 3.91Å |
| 51 | G | 80 | Confident | 84.8 | Confident | 66 Ų | 66 | 45.1 Ų | 45.1 | 68% | 0.68 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -92.1 | -2.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R47 A53 | R47-G51 WeakPolarHBondContact O-CA 3.2Å; R47-G51 PolarHBondContact O-N 2.88Å; G51-A53 PolarHBondContact O-N 2.72Å |
| 52 | G | 77.4 | Confident | 84.8 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | trans | -66.8 | 122.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L48 R58 R99 | L48-G52 WeakPolarHBondContact O-CA 3.44Å; L48-G52 PolarHBondContact O-N 3.32Å; L48-G52 VanDerWaalsContact O-N 3.16Å; G52-R58 VanDerWaalsContact O-CD 3.31Å; G52-R58 WeakPolarHBondContact O-CD 3.29Å; G52-R58 WeakPolarHBondContact O-CG 3.34Å; G52-R58 PolarHBondContact O-NE 3.47Å; G52-R99 PolarHBondContact O-NH1 3.29Å | ||
| 53 | A | 70.3 | Confident | 84.8 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 70% | 0.702 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -69.1 | -63.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | G51 R58 | G51-A53 PolarHBondContact O-N 2.72Å; A53-R58 PolarHBondContact O-NE 2.88Å; A53-R58 PolarHBondContact O-NH2 3.18Å |
| 54 | E | 80.2 | Confident | 84.8 | Confident | 120 Ų | 120 | 49.7 Ų | 49.7 | 56% | 0.561 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -63.8 | 164.8 | 176.3 | -67.1 | 178.6 | -177.9 | 0 | 0 | 113 | P57 R58 | E54-P57 VanDerWaalsContact CB-CD 3.49Å; E54-P57 HydrophobicContact CB-CG 3.93Å; E54-R58 PolarHBondContact O-NE 3.37Å |
| 55 | E | 81.8 | Confident | 84.9 | Confident | 120 Ų | 120 | 50 Ų | 50 | 56% | 0.561 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -69.9 | -42 | 175.5 | -165.5 | -151.9 | 131.4 | 0 | 0 | 112.5 | R58 R59 | E55-R58 WeakPolarHBondContact O-CB 3.44Å; E55-R58 PolarHBondContact O-N 2.77Å; E55-R58 VanDerWaalsContact O-N 3.09Å; E55-R59 PolarHBondContact O-N 2.78Å |
| 56 | L | 84 | Confident | 85 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.2 | -48.5 | -175.7 | 179.9 | 65.1 | 0 | 0 | 0 | 113.2 | K18 R58 R59 V60 | K18-L56 HydrophobicContact CB-CD2 4.15Å; K18-L56 HydrophobicContact CD-CD2 3.66Å; L56-R58 VanDerWaalsContact C-N 3.31Å; L56-R58 PolarHBondContact O-N 2.87Å; L56-R59 PolarHBondContact O-N 2.79Å; L56-V60 HydrophobicContact CD1-CG2 4.09Å; L56-V60 HydrophobicContact CG-CG2 4.47Å; L56-V60 WeakPolarHBondContact O-CB 3.32Å; L56-V60 WeakPolarHBondContact O-CG2 3.41Å; L56-V60 PolarHBondContact O-N 2.85Å |
| 57 | P | 84.5 | Confident | 85.2 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -52.9 | -45.4 | 170.8 | -23.1 | 29.8 | 0 | 0 | 0 | 113.1 | V9 L48 E54 V60 G61 | V9-P57 HydrophobicContact CG1-CB 3.65Å; V9-P57 HydrophobicContact CG1-CG 3.59Å; L48-P57 HydrophobicContact CD2-CB 4.44Å; E54-P57 VanDerWaalsContact CB-CD 3.49Å; E54-P57 HydrophobicContact CB-CG 3.93Å; P57-V60 PolarHBondContact O-N 2.81Å; P57-G61 PolarHBondContact O-N 2.96Å |
| 58 | R | 86.3 | Confident | 85.2 | Confident | 81 Ų | 81 | 47.5 Ų | 47.5 | 31% | 0.306 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | -178.8 | -69.8 | -179.8 | -84.4 | 145.4 | -10.4 | 111.4 | Y49 G52 A53 E54 E55 L56 V60 G61 C62 | Y49-R58 WeakPolarHBondContact CD2-O 3.35Å; G52-R58 VanDerWaalsContact O-CD 3.31Å; G52-R58 WeakPolarHBondContact O-CD 3.29Å; G52-R58 WeakPolarHBondContact O-CG 3.34Å; G52-R58 PolarHBondContact O-NE 3.47Å; A53-R58 PolarHBondContact O-NE 2.88Å; A53-R58 PolarHBondContact O-NH2 3.18Å; E54-R58 PolarHBondContact O-NE 3.37Å; E55-R58 WeakPolarHBondContact O-CB 3.44Å; E55-R58 PolarHBondContact O-N 2.77Å; E55-R58 VanDerWaalsContact O-N 3.09Å; L56-R58 VanDerWaalsContact C-N 3.31Å; L56-R58 PolarHBondContact O-N 2.87Å; R58-V60 VanDerWaalsContact C-N 3.35Å; R58-V60 PolarHBondContact O-N 2.84Å; R58-G61 PolarHBondContact O-N 3.18Å; R58-C62 WeakPolarHBondContact O-CB 3.44Å; R58-C62 PolarHBondContact O-N 2.95Å |
| 59 | R | 87.8 | Confident | 85.2 | Confident | 138 Ų | 138 | 46.5 Ų | 46.5 | 52% | 0.521 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 177.2 | -174.8 | 173.1 | 177.8 | 170.2 | 0.1 | 111.9 | E55 L56 Q63 | E55-R59 PolarHBondContact O-N 2.78Å; L56-R59 PolarHBondContact O-N 2.79Å; R59-Q63 WeakPolarHBondContact O-CB 3.35Å; R59-Q63 WeakPolarHBondContact O-CG 3.37Å; R59-Q63 PolarHBondContact O-N 3.25Å |
| 60 | V | 88.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | L5 V9 V22 L48 L56 P57 R58 C62 Q63 L64 | L5-V60 HydrophobicContact CD1-CG1 3.85Å; L5-V60 HydrophobicContact CD2-CG1 3.83Å; L5-V60 HydrophobicContact CG-CG1 4.02Å; V9-V60 HydrophobicContact CG2-CB 4.43Å; V9-V60 HydrophobicContact CG2-CG1 4.04Å; V9-V60 HydrophobicContact CG2-CG2 4.48Å; V22-V60 HydrophobicContact CB-CG2 4.46Å; V22-V60 HydrophobicContact CG1-CG1 4.5Å; V22-V60 HydrophobicContact CG1-CG2 3.9Å; V22-V60 HydrophobicContact CG2-CG1 4.31Å; V22-V60 HydrophobicContact CG2-CG2 3.66Å; L48-V60 HydrophobicContact CD1-CG1 4.31Å; L56-V60 HydrophobicContact CD1-CG2 4.09Å; L56-V60 HydrophobicContact CG-CG2 4.47Å; L56-V60 WeakPolarHBondContact O-CB 3.32Å; L56-V60 WeakPolarHBondContact O-CG2 3.41Å; L56-V60 PolarHBondContact O-N 2.85Å; P57-V60 PolarHBondContact O-N 2.81Å; R58-V60 VanDerWaalsContact C-N 3.35Å; R58-V60 PolarHBondContact O-N 2.84Å; V60-C62 PolarHBondContact O-N 3.42Å; V60-Q63 PolarHBondContact O-N 3.43Å; V60-L64 WeakPolarHBondContact O-CB 3.38Å; V60-L64 PolarHBondContact O-N 2.69Å |
| 61 | G | 88.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G45 P57 R58 L64 L65 | G45-G61 WeakPolarHBondContact O-CA 3.43Å; P57-G61 PolarHBondContact O-N 2.96Å; R58-G61 PolarHBondContact O-N 3.18Å; G61-L64 PolarHBondContact O-N 3.17Å; G61-L65 WeakPolarHBondContact O-CG 3.38Å; G61-L65 PolarHBondContact O-N 3.26Å |
| 62 | C | 89.1 | Confident | 86.2 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 28% | 0.277 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.2 | -50.1 | 174.7 | -173.2 | 0 | 0 | 0 | 0 | 112 | Y49 R58 V60 L64 L65 H66 | Y49-C62 HydrophobicContact CD2-CB 3.61Å; Y49-C62 HydrophobicContact CE2-CB 3.7Å; R58-C62 WeakPolarHBondContact O-CB 3.44Å; R58-C62 PolarHBondContact O-N 2.95Å; V60-C62 PolarHBondContact O-N 3.42Å; C62-L64 VanDerWaalsContact C-N 3.33Å; C62-L64 PolarHBondContact O-N 3.05Å; C62-L65 PolarHBondContact O-N 2.65Å; C62-H66 PolarHBondContact O-N 2.92Å |
| 63 | Q | 89.7 | Confident | 86.7 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 36% | 0.36 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 179.3 | -73.6 | 178.9 | -26.5 | 0 | 0 | 112.2 | L26 R59 V60 H66 V67 | L26-Q63 HydrophobicContact CD1-CB 3.89Å; L26-Q63 HydrophobicContact CD2-CB 4.13Å; R59-Q63 WeakPolarHBondContact O-CB 3.35Å; R59-Q63 WeakPolarHBondContact O-CG 3.37Å; R59-Q63 PolarHBondContact O-N 3.25Å; V60-Q63 PolarHBondContact O-N 3.43Å; Q63-H66 PolarHBondContact O-N 3.07Å; Q63-V67 WeakPolarHBondContact O-CB 3.48Å; Q63-V67 WeakPolarHBondContact O-CG2 3.49Å; Q63-V67 PolarHBondContact O-N 3.29Å |
| 64 | L | 89.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.8 | -43.7 | 177.9 | -176.1 | 63.1 | 0 | 0 | 0 | 112.1 | L5 L26 A29 L41 V60 G61 C62 H66 V67 A68 | L5-L64 HydrophobicContact CD2-CD2 3.7Å; L26-L64 HydrophobicContact CD2-CB 4.12Å; L26-L64 HydrophobicContact CD2-CD1 4.12Å; A29-L64 HydrophobicContact CB-CD1 4.18Å; L41-L64 HydrophobicContact CB-CD1 4.35Å; L41-L64 HydrophobicContact CB-CD2 4.29Å; L41-L64 HydrophobicContact CD2-CD1 4.15Å; L41-L64 HydrophobicContact CD2-CD2 4.12Å; L41-L64 WeakPolarHBondContact O-CD2 3.4Å; V60-L64 WeakPolarHBondContact O-CB 3.38Å; V60-L64 PolarHBondContact O-N 2.69Å; G61-L64 PolarHBondContact O-N 3.17Å; C62-L64 VanDerWaalsContact C-N 3.33Å; C62-L64 PolarHBondContact O-N 3.05Å; L64-H66 VanDerWaalsContact C-N 3.34Å; L64-H66 PolarHBondContact O-N 3.06Å; L64-V67 PolarHBondContact O-N 2.86Å; L64-A68 VanDerWaalsContact O-CB 3.26Å; L64-A68 WeakPolarHBondContact O-CB 3.36Å; L64-A68 PolarHBondContact O-N 3.01Å |
| 65 | L | 89.3 | Confident | 88 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 174.4 | -73.5 | 171.1 | 0 | 0 | 0 | 111.3 | L42 A46 G61 C62 G69 L106 | L42-L65 HydrophobicContact CD2-CD2 4.09Å; A46-L65 HydrophobicContact CB-CD2 4.41Å; G61-L65 WeakPolarHBondContact O-CG 3.38Å; G61-L65 PolarHBondContact O-N 3.26Å; C62-L65 PolarHBondContact O-N 2.65Å; L65-G69 PolarHBondContact O-N 3Å; L65-L106 HydrophobicContact CB-CD2 3.95Å; L65-L106 HydrophobicContact CD1-CD2 4.12Å |
| 66 | H | 90.1 | Very high | 88.4 | Confident | 75 Ų | 75 | 46.9 Ų | 46.9 | 35% | 0.347 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.8 | -42.7 | -179.9 | -167.7 | 92 | 0 | 0 | 0 | 112.9 | C62 Q63 L64 R70 | C62-H66 PolarHBondContact O-N 2.92Å; Q63-H66 PolarHBondContact O-N 3.07Å; L64-H66 VanDerWaalsContact C-N 3.34Å; L64-H66 PolarHBondContact O-N 3.06Å; H66-R70 WeakPolarHBondContact O-CB 3.46Å; H66-R70 PolarHBondContact O-N 3Å; H66-R70 VanDerWaalsContact O-N 3.14Å |
| 67 | V | 89.8 | Confident | 88.6 | Confident | 18 Ų | 18 | 46 Ų | 46 | 11% | 0.109 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.6 | -50.6 | 178 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L26 A29 R30 Q63 L64 R70 H71 | L26-V67 HydrophobicContact CD2-CG2 4.35Å; A29-V67 HydrophobicContact CB-CG1 4.01Å; R30-V67 HydrophobicContact CG-CG1 3.67Å; Q63-V67 WeakPolarHBondContact O-CB 3.48Å; Q63-V67 WeakPolarHBondContact O-CG2 3.49Å; Q63-V67 PolarHBondContact O-N 3.29Å; L64-V67 PolarHBondContact O-N 2.86Å; V67-R70 PolarHBondContact O-N 3.23Å; V67-H71 WeakPolarHBondContact O-CB 3.37Å; V67-H71 PolarHBondContact O-CD2 2.98Å; V67-H71 VanDerWaalsContact O-CD2 3.29Å; V67-H71 PolarHBondContact O-N 3.17Å; V67-H71 VanDerWaalsContact O-N 3.1Å |
| 68 | A | 86.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L42 L64 R70 H71 H72 | L42-A68 HydrophobicContact CD2-CB 3.55Å; L42-A68 HydrophobicContact CG-CB 4.05Å; L64-A68 VanDerWaalsContact O-CB 3.26Å; L64-A68 WeakPolarHBondContact O-CB 3.36Å; L64-A68 PolarHBondContact O-N 3.01Å; A68-R70 PolarHBondContact O-N 3.45Å; A68-H71 PolarHBondContact O-N 3.41Å; A68-H72 WeakPolarHBondContact O-CB 3.41Å; A68-H72 PolarHBondContact O-CD2 2.9Å; A68-H72 PolarHBondContact O-N 2.77Å |
| 69 | G | 87.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L65 | L65-G69 PolarHBondContact O-N 3Å |
| 70 | R | 89.8 | Confident | 89.1 | Confident | 180 Ų | 180 | 40 Ų | 40 | 68% | 0.679 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -73.4 | -30.4 | 179.1 | -173.4 | 174.4 | -176.7 | 130.6 | 6 | 113.8 | H66 V67 A68 L110 | H66-R70 WeakPolarHBondContact O-CB 3.46Å; H66-R70 PolarHBondContact O-N 3Å; H66-R70 VanDerWaalsContact O-N 3.14Å; V67-R70 PolarHBondContact O-N 3.23Å; A68-R70 PolarHBondContact O-N 3.45Å; R70-L110 HydrophobicContact CB-CD2 4.39Å |
| 71 | H | 89.7 | Confident | 89.1 | Confident | 86 Ų | 86 | 42 Ų | 42 | 40% | 0.398 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -94.5 | -19.5 | -178.2 | -77 | -98.7 | 0 | 0 | 0 | 113.9 | R30 V67 A68 | R30-H71 PolarHBondContact O-ND1 3.19Å; V67-H71 WeakPolarHBondContact O-CB 3.37Å; V67-H71 PolarHBondContact O-CD2 2.98Å; V67-H71 VanDerWaalsContact O-CD2 3.29Å; V67-H71 PolarHBondContact O-N 3.17Å; V67-H71 VanDerWaalsContact O-N 3.1Å; A68-H71 PolarHBondContact O-N 3.41Å |
| 72 | H | 90.5 | Very high | 89.1 | Confident | 22 Ų | 22 | 42.6 Ų | 42.6 | 10% | 0.102 | 22% | 0.216 | C | C | . | . | trans | -132.9 | 60.3 | -176.8 | -52.7 | -84.1 | 0 | 0 | 0 | 111.7 | A29 Q31 C38 A68 D74 V75 F76 | A29-H72 PolarHBondContact O-NE2 3.3Å; A29-H72 VanDerWaalsContact O-NE2 3.09Å; Q31-H72 PolarHBondContact O-CE1 3.19Å; Q31-H72 PolarHBondContact O-NE2 2.86Å; C38-H72 VanDerWaalsContact SG-CB 3.56Å; A68-H72 WeakPolarHBondContact O-CB 3.41Å; A68-H72 PolarHBondContact O-CD2 2.9Å; A68-H72 PolarHBondContact O-N 2.77Å; H72-D74 PolarHBondContact O-N 3.22Å; H72-V75 HydrophobicContact CB-CB 4.49Å; H72-V75 PolarHBondContact O-N 2.9Å; H72-F76 WeakPolarHBondContact O-CB 3.44Å; H72-F76 PolarHBondContact O-N 2.79Å | ||
| 73 | P | 87.9 | Confident | 89.1 | Confident | 48 Ų | 48 | 50 Ų | 50 | 31% | 0.312 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.4 | -36 | -166.6 | 25 | -35.3 | 0 | 0 | 0 | 114.2 | F76 A77 P112 | P73-F76 WeakPolarHBondContact O-CB 3.39Å; P73-F76 PolarHBondContact O-N 2.78Å; P73-A77 PolarHBondContact O-N 3.31Å; P73-P112 HydrophobicContact CB-CG 4.43Å |
| 74 | D | 87.3 | Confident | 88.9 | Confident | 131 Ų | 131 | 50.5 Ų | 50.5 | 70% | 0.701 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -68.4 | -43 | -178.8 | -47.9 | -71.8 | 0 | 0 | 0 | 111.7 | H72 F76 A77 E78 | H72-D74 PolarHBondContact O-N 3.22Å; D74-F76 VanDerWaalsContact C-N 3.28Å; D74-F76 PolarHBondContact O-N 2.77Å; D74-A77 PolarHBondContact O-N 2.88Å; D74-E78 PolarHBondContact O-N 2.95Å; D74-E78 VanDerWaalsContact O-N 3.12Å |
| 75 | V | 89.4 | Confident | 88.8 | Confident | 25 Ų | 25 | 50.6 Ų | 50.6 | 15% | 0.152 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69 | -30.7 | 174.4 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | R35 C38 L39 H72 F79 | R35-V75 HydrophobicContact CG-CG1 4.38Å; C38-V75 HydrophobicContact CB-CG1 3.99Å; L39-V75 HydrophobicContact CD2-CG1 3.71Å; L39-V75 HydrophobicContact CG-CG1 3.71Å; H72-V75 HydrophobicContact CB-CB 4.49Å; H72-V75 PolarHBondContact O-N 2.9Å; V75-F79 WeakPolarHBondContact O-CB 3.28Å; V75-F79 PolarHBondContact O-N 2.76Å |
| 76 | F | 90.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.2 | -38.9 | 172.2 | -168.6 | -96.5 | 0 | 0 | 0 | 112.6 | L42 H72 P73 D74 F79 F80 L110 | L42-F76 HydrophobicContact CD1-CD2 3.94Å; L42-F76 HydrophobicContact CD2-CD2 3.65Å; L42-F76 HydrophobicContact CD2-CE2 3.93Å; L42-F76 HydrophobicContact CG-CD2 4.47Å; H72-F76 WeakPolarHBondContact O-CB 3.44Å; H72-F76 PolarHBondContact O-N 2.79Å; P73-F76 WeakPolarHBondContact O-CB 3.39Å; P73-F76 PolarHBondContact O-N 2.78Å; D74-F76 VanDerWaalsContact C-N 3.28Å; D74-F76 PolarHBondContact O-N 2.77Å; F76-F79 WeakPolarHBondContact O-CB 3.19Å; F76-F79 PolarHBondContact O-N 3.49Å; F76-F80 HydrophobicContact CD1-CB 4.4Å; F76-F80 HydrophobicContact CE1-CB 4.01Å; F76-F80 HydrophobicContact CE1-CG 4.24Å; F76-F80 HydrophobicContact CZ-CB 4.29Å; F76-F80 HydrophobicContact CZ-CD2 4.47Å; F76-F80 HydrophobicContact CZ-CG 4.41Å; F76-F80 WeakPolarHBondContact O-CB 3.28Å; F76-F80 PolarHBondContact O-N 2.88Å; F76-L110 HydrophobicContact CD1-CB 4.06Å; F76-L110 HydrophobicContact CE1-CB 3.57Å; F76-L110 HydrophobicContact CE2-CD1 4.46Å; F76-L110 HydrophobicContact CZ-CB 3.9Å; F76-L110 HydrophobicContact CZ-CD1 4.15Å |
| 77 | A | 87.4 | Confident | 88.5 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 13% | 0.132 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P73 D74 F79 S81 L111 P112 | P73-A77 PolarHBondContact O-N 3.31Å; D74-A77 PolarHBondContact O-N 2.88Å; A77-F79 VanDerWaalsContact C-N 3.34Å; A77-S81 PolarHBondContact O-N 2.8Å; A77-L111 HydrophobicContact CB-CD1 4.13Å; A77-P112 HydrophobicContact CB-CG 4.11Å |
| 78 | E | 88.6 | Confident | 88.3 | Confident | 89 Ų | 89 | 57.6 Ų | 57.6 | 42% | 0.416 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 170.8 | -168.7 | -166.8 | 164.3 | 0 | 0 | 111 | R35 D74 S81 | R35-E78 IonicContact CZ-OE1 3.36Å; R35-E78 IonicContact CZ-OE2 3.3Å; R35-E78 IonicContact NE-OE1 2.73Å; R35-E78 IonicContact NE-OE2 2.76Å; R35-E78 PolarHBondContact NE-OE2 3.32Å; R35-E78 IonicContact NH2-OE1 3.63Å; R35-E78 PolarHBondContact NH2-OE1 3.35Å; R35-E78 IonicContact NH2-OE2 2.67Å; D74-E78 PolarHBondContact O-N 2.95Å; D74-E78 VanDerWaalsContact O-N 3.12Å; E78-S81 WeakPolarHBondContact O-CB 3.28Å; E78-S81 PolarHBondContact O-OG 2.74Å |
| 79 | F | 89.6 | Confident | 88.1 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -46.4 | -178.7 | 179.8 | -89.1 | 0 | 0 | 0 | 113.1 | L39 L42 A43 A46 V75 F76 A77 S81 R84 | L39-F79 HydrophobicContact CD2-CB 3.93Å; L39-F79 HydrophobicContact CD2-CD2 3.99Å; L39-F79 HydrophobicContact CD2-CG 4.48Å; L42-F79 HydrophobicContact CB-CD1 4.05Å; L42-F79 HydrophobicContact CB-CD2 3.46Å; L42-F79 VanDerWaalsContact CB-CD2 3.46Å; L42-F79 HydrophobicContact CB-CE1 3.99Å; L42-F79 HydrophobicContact CB-CE2 3.36Å; L42-F79 HydrophobicContact CB-CG 3.81Å; L42-F79 HydrophobicContact CB-CZ 3.65Å; L42-F79 HydrophobicContact CD1-CB 3.86Å; L42-F79 HydrophobicContact CD1-CD1 4.32Å; L42-F79 HydrophobicContact CD1-CD2 4.1Å; L42-F79 HydrophobicContact CD1-CG 3.84Å; L42-F79 HydrophobicContact CG-CD2 4.43Å; L42-F79 HydrophobicContact CG-CG 4.43Å; L42-F79 WeakPolarHBondContact O-CZ 3.22Å; A43-F79 HydrophobicContact CB-CE2 4.05Å; A46-F79 HydrophobicContact CB-CZ 4.13Å; V75-F79 WeakPolarHBondContact O-CB 3.28Å; V75-F79 PolarHBondContact O-N 2.76Å; F76-F79 WeakPolarHBondContact O-CB 3.19Å; F76-F79 PolarHBondContact O-N 3.49Å; A77-F79 VanDerWaalsContact C-N 3.34Å; F79-S81 PolarHBondContact O-N 2.88Å; F79-R84 VanDerWaalsContact CD2-NH1 3.27Å; F79-R84 VanDerWaalsContact CE2-NH2 3.32Å; F79-R84 WeakPolarHBondContact O-CD 3.49Å |
| 80 | F | 90.8 | Very high | 87.8 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 4% | 0.044 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 22.9 | -174.2 | -164.8 | -104.8 | 0 | 0 | 0 | 113 | F76 V85 V104 L108 L111 V120 | F76-F80 HydrophobicContact CD1-CB 4.4Å; F76-F80 HydrophobicContact CE1-CB 4.01Å; F76-F80 HydrophobicContact CE1-CG 4.24Å; F76-F80 HydrophobicContact CZ-CB 4.29Å; F76-F80 HydrophobicContact CZ-CD2 4.47Å; F76-F80 HydrophobicContact CZ-CG 4.41Å; F76-F80 WeakPolarHBondContact O-CB 3.28Å; F76-F80 PolarHBondContact O-N 2.88Å; F80-V85 HydrophobicContact CD1-CG2 4.13Å; F80-V85 HydrophobicContact CD2-CG2 4.23Å; F80-V85 HydrophobicContact CE1-CG2 3.84Å; F80-V85 HydrophobicContact CE2-CG2 3.92Å; F80-V85 HydrophobicContact CG-CG2 4.33Å; F80-V85 HydrophobicContact CZ-CG2 3.71Å; F80-V104 HydrophobicContact CZ-CG1 4.33Å; F80-L108 HydrophobicContact CE1-CD2 4.38Å; F80-L111 HydrophobicContact CB-CD1 4.33Å; F80-L111 HydrophobicContact CD1-CD1 4.08Å; F80-L111 HydrophobicContact CD1-CD2 3.95Å; F80-L111 HydrophobicContact CD1-CG 4.45Å; F80-L111 HydrophobicContact CE1-CD2 4.3Å; F80-V120 HydrophobicContact CE1-CG1 4.06Å; F80-V120 WeakPolarHBondContact O-CG2 3.34Å |
| 81 | S | 89.5 | Confident | 86.7 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | trans | -52.7 | 152.4 | 175.2 | 47.7 | 0 | 0 | 0 | 0 | 114.1 | A77 E78 F79 R83 R84 V85 | A77-S81 PolarHBondContact O-N 2.8Å; E78-S81 WeakPolarHBondContact O-CB 3.28Å; E78-S81 PolarHBondContact O-OG 2.74Å; F79-S81 PolarHBondContact O-N 2.88Å; S81-R83 VanDerWaalsContact C-N 3.26Å; S81-R83 PolarHBondContact O-N 3.27Å; S81-R83 VanDerWaalsContact O-N 3.13Å; S81-R84 WeakPolarHBondContact O-CA 3.43Å; S81-R84 WeakPolarHBondContact O-CB 3.43Å; S81-R84 PolarHBondContact O-N 3.5Å; S81-V85 PolarHBondContact O-N 3Å; S81-V85 VanDerWaalsContact O-N 3.12Å | ||
| 82 | A | 88.4 | Confident | 85.3 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -51.9 | -39.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R84 V85 L86 E119 V120 L123 | A82-R84 PolarHBondContact O-N 2.77Å; A82-V85 PolarHBondContact O-N 3.07Å; A82-L86 WeakPolarHBondContact O-CB 3.16Å; A82-L86 PolarHBondContact O-N 3.41Å; A82-E119 HydrophobicContact CB-CB 4.19Å; A82-V120 HydrophobicContact CB-CG2 4.24Å; A82-L123 HydrophobicContact CB-CB 4.45Å; A82-L123 HydrophobicContact CB-CD2 4.1Å; A82-L123 VanDerWaalsContact O-CD2 3.28Å; A82-L123 WeakPolarHBondContact O-CD2 3.46Å |
| 83 | R | 87.9 | Confident | 83.1 | Confident | 197 Ų | 197 | 60.3 Ų | 60.3 | 74% | 0.743 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.8 | -20.6 | 175.8 | -170.8 | 177.3 | 179.4 | -161.4 | 1.8 | 113.8 | S81 R87 | S81-R83 VanDerWaalsContact C-N 3.26Å; S81-R83 PolarHBondContact O-N 3.27Å; S81-R83 VanDerWaalsContact O-N 3.13Å; R83-R87 WeakPolarHBondContact O-CG 3.46Å; R83-R87 PolarHBondContact O-NE 3.13Å |
| 84 | R | 86.4 | Confident | 81.6 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 33% | 0.328 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -89 | -42.2 | 173 | -163.1 | 176.6 | -161.2 | 131.5 | 2.3 | 111.7 | F79 S81 A82 L86 R87 L88 | F79-R84 VanDerWaalsContact CD2-NH1 3.27Å; F79-R84 VanDerWaalsContact CE2-NH2 3.32Å; F79-R84 WeakPolarHBondContact O-CD 3.49Å; S81-R84 WeakPolarHBondContact O-CA 3.43Å; S81-R84 WeakPolarHBondContact O-CB 3.43Å; S81-R84 PolarHBondContact O-N 3.5Å; A82-R84 PolarHBondContact O-N 2.77Å; R84-L86 VanDerWaalsContact C-N 3.28Å; R84-L86 PolarHBondContact O-N 3.42Å; R84-R87 PolarHBondContact O-N 3.29Å; R84-L88 WeakPolarHBondContact O-CB 2.98Å; R84-L88 PolarHBondContact O-N 3.19Å |
| 85 | V | 88.3 | Confident | 80.3 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.3 | -44 | 171.9 | 175 | 0 | 0 | 0 | 0 | 110.7 | F80 S81 A82 L88 L89 V104 V120 L123 L124 | F80-V85 HydrophobicContact CD1-CG2 4.13Å; F80-V85 HydrophobicContact CD2-CG2 4.23Å; F80-V85 HydrophobicContact CE1-CG2 3.84Å; F80-V85 HydrophobicContact CE2-CG2 3.92Å; F80-V85 HydrophobicContact CG-CG2 4.33Å; F80-V85 HydrophobicContact CZ-CG2 3.71Å; S81-V85 PolarHBondContact O-N 3Å; S81-V85 VanDerWaalsContact O-N 3.12Å; A82-V85 PolarHBondContact O-N 3.07Å; V85-L88 WeakPolarHBondContact O-CB 3.34Å; V85-L88 PolarHBondContact O-N 2.97Å; V85-L89 HydrophobicContact CG1-CD1 3.92Å; V85-L89 WeakPolarHBondContact O-CG 3.41Å; V85-L89 PolarHBondContact O-N 3.48Å; V85-V104 HydrophobicContact CG1-CG1 4.48Å; V85-V104 HydrophobicContact CG1-CG2 4.13Å; V85-V120 HydrophobicContact CG2-CG1 4.26Å; V85-V120 HydrophobicContact CG2-CG2 4.22Å; V85-L123 HydrophobicContact CB-CD2 4.07Å; V85-L123 HydrophobicContact CG1-CD2 3.98Å; V85-L124 HydrophobicContact CG1-CD2 4.06Å |
| 86 | L | 87.9 | Confident | 79.2 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 25% | 0.251 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 177.9 | -167.8 | 56.1 | 0 | 0 | 0 | 112.7 | A82 R84 L88 L89 Q90 L123 E127 | A82-L86 WeakPolarHBondContact O-CB 3.16Å; A82-L86 PolarHBondContact O-N 3.41Å; R84-L86 VanDerWaalsContact C-N 3.28Å; R84-L86 PolarHBondContact O-N 3.42Å; L86-L88 PolarHBondContact O-N 2.87Å; L86-L89 PolarHBondContact O-N 3.04Å; L86-L89 VanDerWaalsContact O-N 3.08Å; L86-Q90 HydrophobicContact CD1-CG 4.02Å; L86-Q90 WeakPolarHBondContact O-CB 3.22Å; L86-Q90 PolarHBondContact O-N 2.75Å; L86-L123 HydrophobicContact CB-CD2 3.87Å; L86-L123 HydrophobicContact CD1-CD1 4Å; L86-L123 HydrophobicContact CD1-CD2 4.34Å; L86-L123 HydrophobicContact CD1-CG 4.5Å; L86-L123 HydrophobicContact CD2-CD1 4.36Å; L86-E127 HydrophobicContact CD1-CG 3.87Å |
| 87 | R | 85.3 | Confident | 78.2 | Confident | 154 Ų | 154 | 57 Ų | 57 | 58% | 0.581 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.3 | -23.7 | 177.2 | -75 | -178.2 | -68.9 | 162.9 | 0.2 | 113.4 | R83 R84 G91 | R83-R87 WeakPolarHBondContact O-CG 3.46Å; R83-R87 PolarHBondContact O-NE 3.13Å; R84-R87 PolarHBondContact O-N 3.29Å; R87-G91 VanDerWaalsContact O-CA 3.29Å; R87-G91 WeakPolarHBondContact O-CA 3.49Å; R87-G91 PolarHBondContact O-N 2.92Å |
| 88 | L | 83.9 | Confident | 77.5 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -77.4 | -32.2 | 173.3 | 177.7 | 60.4 | 0 | 0 | 0 | 111.8 | V50 R84 V85 L86 A100 C103 V104 | V50-L88 HydrophobicContact CG1-CD1 4.31Å; V50-L88 HydrophobicContact CG2-CD1 3.93Å; R84-L88 WeakPolarHBondContact O-CB 2.98Å; R84-L88 PolarHBondContact O-N 3.19Å; V85-L88 WeakPolarHBondContact O-CB 3.34Å; V85-L88 PolarHBondContact O-N 2.97Å; L86-L88 PolarHBondContact O-N 2.87Å; L88-A100 HydrophobicContact CD1-CB 3.77Å; L88-A100 HydrophobicContact CG-CB 3.99Å; L88-A100 WeakPolarHBondContact O-CB 3.46Å; L88-C103 HydrophobicContact CD2-CB 4.06Å; L88-V104 HydrophobicContact CD2-CG2 3.79Å; L88-V104 HydrophobicContact CG-CG2 4.43Å |
| 89 | L | 82.6 | Confident | 77 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -89 | -19 | 178.9 | -65.1 | 173.5 | 0 | 0 | 0 | 114.5 | V85 L86 P96 L101 V104 L124 E127 R130 | V85-L89 HydrophobicContact CG1-CD1 3.92Å; V85-L89 WeakPolarHBondContact O-CG 3.41Å; V85-L89 PolarHBondContact O-N 3.48Å; L86-L89 PolarHBondContact O-N 3.04Å; L86-L89 VanDerWaalsContact O-N 3.08Å; L89-P96 HydrophobicContact CB-CB 4.33Å; L89-P96 HydrophobicContact CD2-CB 3.62Å; L89-P96 HydrophobicContact CD2-CG 4.09Å; L89-L101 HydrophobicContact CD2-CD2 3.8Å; L89-V104 HydrophobicContact CD2-CG2 4.1Å; L89-V104 HydrophobicContact CG-CG2 4.34Å; L89-L124 HydrophobicContact CD1-CD2 3.8Å; L89-E127 HydrophobicContact CD1-CB 3.89Å; L89-E127 HydrophobicContact CD1-CG 4.14Å; L89-R130 PolarHBondContact O-NH2 3.27Å |
| 90 | Q | 82.2 | Confident | 76.7 | Confident | 91 Ų | 91 | 60.1 Ų | 60.1 | 43% | 0.425 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -117.9 | 16.2 | -179.3 | -62.5 | -178.8 | -10.2 | 0 | 0 | 112.5 | L86 G92 E127 | L86-Q90 HydrophobicContact CD1-CG 4.02Å; L86-Q90 WeakPolarHBondContact O-CB 3.22Å; L86-Q90 PolarHBondContact O-N 2.75Å; Q90-G92 PolarHBondContact O-N 2.8Å; Q90-E127 PolarHBondContact NE2-OE1 3.45Å; Q90-E127 VanDerWaalsContact NE2-OE1 3.1Å; Q90-E127 PolarHBondContact NE2-OE2 2.95Å; Q90-E127 VanDerWaalsContact NE2-OE2 3.1Å |
| 91 | G | 65.6 | Low | 76.2 | Confident | 71 Ų | 71 | 60 Ų | 60 | 73% | 0.732 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -75.3 | 14.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | R87 | R87-G91 VanDerWaalsContact O-CA 3.29Å; R87-G91 WeakPolarHBondContact O-CA 3.49Å; R87-G91 PolarHBondContact O-N 2.92Å |
| 92 | G | 61.5 | Low | 75.8 | Confident | 57 Ų | 57 | 58.9 Ų | 58.9 | 59% | 0.588 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -170.1 | 170.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q90 G94 | Q90-G92 PolarHBondContact O-N 2.8Å; G92-G94 VanDerWaalsContact C-N 3.33Å; G92-G94 PolarHBondContact O-N 2.78Å |
| 93 | A | 43.6 | Very low | 75.6 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 100% | 1.008 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -80.6 | 74.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 94 | G | 57 | Low | 75.6 | Confident | 38 Ų | 38 | 49.3 Ų | 49.3 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 161.5 | -177.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G92 | G92-G94 VanDerWaalsContact C-N 3.33Å; G92-G94 PolarHBondContact O-N 2.78Å |
| 95 | P | 59.1 | Low | 75.6 | Confident | 57 Ų | 57 | 46.6 Ų | 46.6 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -62.1 | 153.6 | 175.9 | 26.7 | -35 | 0 | 0 | 0 | 111.6 | G97 P136 | P95-G97 PolarHBondContact O-N 3.24Å; P95-G97 VanDerWaalsContact O-N 3.08Å; P95-P136 HydrophobicContact CB-CB 3.86Å; P95-P136 HydrophobicContact CG-CB 3.97Å |
| 96 | P | 66.6 | Low | 75.5 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.032 | 31% | 0.307 | C | S | . | . | trans | -59.2 | 114.9 | -175.2 | 24.1 | -35.7 | 0 | 0 | 0 | 112.1 | L89 L101 T131 | L89-P96 HydrophobicContact CB-CB 4.33Å; L89-P96 HydrophobicContact CD2-CB 3.62Å; L89-P96 HydrophobicContact CD2-CG 4.09Å; P96-L101 HydrophobicContact CB-CD2 4.34Å; P96-L101 HydrophobicContact CB-CG 4.14Å; P96-L101 HydrophobicContact CG-CD1 4.28Å; P96-L101 HydrophobicContact CG-CD2 4.05Å; P96-L101 HydrophobicContact CG-CG 4.12Å; P96-T131 HydrophobicContact CG-CG2 3.83Å; P96-T131 WeakPolarHBondContact CG-OG1 3.18Å | ||
| 97 | G | 70.8 | Confident | 75.5 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | trans | -58.5 | 153.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P95 R99 A100 L101 | P95-G97 PolarHBondContact O-N 3.24Å; P95-G97 VanDerWaalsContact O-N 3.08Å; G97-R99 PolarHBondContact O-N 3.46Å; G97-A100 WeakPolarHBondContact O-CB 3.38Å; G97-A100 PolarHBondContact O-N 3.04Å; G97-L101 PolarHBondContact O-N 3.27Å | ||
| 98 | P | 72.5 | Confident | 75.6 | Confident | 72 Ų | 72 | 38.5 Ų | 38.5 | 47% | 0.468 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.2 | -5.1 | -165.4 | 23.2 | -34.5 | 0 | 0 | 0 | 115.9 | Q143 | P98-Q143 VanDerWaalsContact CB-NE2 3.29Å; P98-Q143 PolarHBondContact O-NE2 3.08Å; P98-Q143 PolarHBondContact O-OE1 2.67Å |
| 99 | R | 78.4 | Confident | 75.8 | Confident | 101 Ų | 101 | 41.3 Ų | 41.3 | 38% | 0.381 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -95.4 | -27.4 | 173.3 | -56 | 176.6 | -174.2 | -170.4 | -2.7 | 112 | V50 G52 G97 C103 | V50-R99 HydrophobicContact CG1-CB 4.44Å; V50-R99 VanDerWaalsContact O-CD 3.26Å; V50-R99 WeakPolarHBondContact O-CD 3.42Å; G52-R99 PolarHBondContact O-NH1 3.29Å; G97-R99 PolarHBondContact O-N 3.46Å; R99-C103 VanDerWaalsContact O-CB 3.31Å; R99-C103 WeakPolarHBondContact O-CB 3.49Å; R99-C103 PolarHBondContact O-N 3.17Å |
| 100 | A | 82.1 | Confident | 76 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.4 | -49 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L88 G97 A102 C103 V104 | L88-A100 HydrophobicContact CD1-CB 3.77Å; L88-A100 HydrophobicContact CG-CB 3.99Å; L88-A100 WeakPolarHBondContact O-CB 3.46Å; G97-A100 WeakPolarHBondContact O-CB 3.38Å; G97-A100 PolarHBondContact O-N 3.04Å; A100-A102 PolarHBondContact O-N 3.13Å; A100-C103 WeakPolarHBondContact O-CB 3.49Å; A100-C103 PolarHBondContact O-N 3.4Å; A100-C103 VanDerWaalsContact O-N 3.11Å; A100-V104 WeakPolarHBondContact O-CG2 3.47Å; A100-V104 PolarHBondContact O-N 2.69Å |
| 101 | L | 80.9 | Confident | 76.3 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 175 | -72.4 | 172.1 | 0 | 0 | 0 | 112.1 | L89 P96 G97 C103 V104 Q105 Q143 V144 | L89-L101 HydrophobicContact CD2-CD2 3.8Å; P96-L101 HydrophobicContact CB-CD2 4.34Å; P96-L101 HydrophobicContact CB-CG 4.14Å; P96-L101 HydrophobicContact CG-CD1 4.28Å; P96-L101 HydrophobicContact CG-CD2 4.05Å; P96-L101 HydrophobicContact CG-CG 4.12Å; G97-L101 PolarHBondContact O-N 3.27Å; L101-C103 VanDerWaalsContact C-N 3.3Å; L101-C103 PolarHBondContact O-N 3.15Å; L101-V104 PolarHBondContact O-N 3.33Å; L101-Q105 PolarHBondContact O-N 3.43Å; L101-Q143 HydrophobicContact CB-CB 4.39Å; L101-Q143 HydrophobicContact CD1-CB 3.95Å; L101-V144 HydrophobicContact CD1-CG2 4.1Å |
| 102 | A | 81.2 | Confident | 77.2 | Confident | 20 Ų | 20 | 38 Ų | 38 | 17% | 0.165 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -36.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y49 A100 Q105 L106 | Y49-A102 HydrophobicContact CE1-CB 4.3Å; Y49-A102 WeakPolarHBondContact OH-CB 3.46Å; A100-A102 PolarHBondContact O-N 3.13Å; A102-Q105 PolarHBondContact O-N 3Å; A102-L106 PolarHBondContact O-N 2.82Å |
| 103 | C | 84.2 | Confident | 78.3 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.2 | -36 | 175.9 | -169.8 | 0 | 0 | 0 | 0 | 112.2 | Y49 V50 L88 R99 A100 L101 G107 | Y49-C103 HydrophobicContact CD1-CB 3.66Å; Y49-C103 HydrophobicContact CE1-CB 3.71Å; V50-C103 HydrophobicContact CG2-CB 3.91Å; L88-C103 HydrophobicContact CD2-CB 4.06Å; R99-C103 VanDerWaalsContact O-CB 3.31Å; R99-C103 WeakPolarHBondContact O-CB 3.49Å; R99-C103 PolarHBondContact O-N 3.17Å; A100-C103 WeakPolarHBondContact O-CB 3.49Å; A100-C103 PolarHBondContact O-N 3.4Å; A100-C103 VanDerWaalsContact O-N 3.11Å; L101-C103 VanDerWaalsContact C-N 3.3Å; L101-C103 PolarHBondContact O-N 3.15Å; C103-G107 PolarHBondContact O-N 2.9Å; C103-G107 VanDerWaalsContact O-N 3.08Å |
| 104 | V | 87.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 171.1 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | F80 V85 L88 L89 A100 L101 L106 G107 L108 L124 L147 | F80-V104 HydrophobicContact CZ-CG1 4.33Å; V85-V104 HydrophobicContact CG1-CG1 4.48Å; V85-V104 HydrophobicContact CG1-CG2 4.13Å; L88-V104 HydrophobicContact CD2-CG2 3.79Å; L88-V104 HydrophobicContact CG-CG2 4.43Å; L89-V104 HydrophobicContact CD2-CG2 4.1Å; L89-V104 HydrophobicContact CG-CG2 4.34Å; A100-V104 WeakPolarHBondContact O-CG2 3.47Å; A100-V104 PolarHBondContact O-N 2.69Å; L101-V104 PolarHBondContact O-N 3.33Å; V104-L106 PolarHBondContact O-N 2.73Å; V104-G107 PolarHBondContact O-N 3.48Å; V104-G107 VanDerWaalsContact O-N 3.1Å; V104-L108 HydrophobicContact CG1-CD1 4.17Å; V104-L108 HydrophobicContact CG1-CG 4.37Å; V104-L108 WeakPolarHBondContact O-CG 3.42Å; V104-L108 PolarHBondContact O-N 3.43Å; V104-L124 HydrophobicContact CG1-CD1 4.11Å; V104-L124 HydrophobicContact CG1-CD2 3.88Å; V104-L147 HydrophobicContact CG1-CD1 4.07Å |
| 105 | Q | 86.6 | Confident | 81.6 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 178.5 | -168.7 | 179.8 | 54 | 0 | 0 | 112.5 | L101 A102 G107 Q109 R146 R150 | L101-Q105 PolarHBondContact O-N 3.43Å; A102-Q105 PolarHBondContact O-N 3Å; Q105-G107 VanDerWaalsContact C-N 3.34Å; Q105-Q109 WeakPolarHBondContact O-CG 3.1Å; Q105-Q109 PolarHBondContact O-N 2.91Å; Q105-R146 PolarHBondContact NE2-O 3.35Å; Q105-R150 VanDerWaalsContact CD-NH1 3.29Å; Q105-R150 VanDerWaalsContact OE1-NH1 3.1Å |
| 106 | L | 85 | Confident | 82.7 | Confident | 18 Ų | 18 | 39.5 Ų | 39.5 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 172.7 | 178.7 | 61.7 | 0 | 0 | 0 | 111.9 | L65 A102 V104 Q109 L110 | L65-L106 HydrophobicContact CB-CD2 3.95Å; L65-L106 HydrophobicContact CD1-CD2 4.12Å; A102-L106 PolarHBondContact O-N 2.82Å; V104-L106 PolarHBondContact O-N 2.73Å; L106-Q109 PolarHBondContact O-N 2.79Å; L106-L110 HydrophobicContact CD1-CD1 4.09Å; L106-L110 HydrophobicContact CG-CD1 4.17Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å |
| 107 | G | 87.8 | Confident | 83.6 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C103 V104 Q105 Q109 L110 L111 | C103-G107 PolarHBondContact O-N 2.9Å; C103-G107 VanDerWaalsContact O-N 3.08Å; V104-G107 PolarHBondContact O-N 3.48Å; V104-G107 VanDerWaalsContact O-N 3.1Å; Q105-G107 VanDerWaalsContact C-N 3.34Å; G107-Q109 PolarHBondContact O-N 2.94Å; G107-L110 PolarHBondContact O-N 3.35Å; G107-L111 WeakPolarHBondContact O-CB 3.42Å; G107-L111 PolarHBondContact O-N 2.67Å |
| 108 | L | 88.7 | Confident | 84.5 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -18.9 | 174.8 | -69 | 174.4 | 0 | 0 | 0 | 114 | F80 V104 V120 F121 L124 L147 H151 | F80-L108 HydrophobicContact CE1-CD2 4.38Å; V104-L108 HydrophobicContact CG1-CD1 4.17Å; V104-L108 HydrophobicContact CG1-CG 4.37Å; V104-L108 WeakPolarHBondContact O-CG 3.42Å; V104-L108 PolarHBondContact O-N 3.43Å; L108-V120 HydrophobicContact CD2-CG1 3.92Å; L108-F121 HydrophobicContact CD2-CD1 4.41Å; L108-F121 HydrophobicContact CD2-CE1 3.86Å; L108-F121 HydrophobicContact CD2-CZ 4.36Å; L108-L124 HydrophobicContact CD1-CD1 3.8Å; L108-L124 HydrophobicContact CD2-CD1 3.9Å; L108-L124 HydrophobicContact CG-CD1 4.28Å; L108-L147 HydrophobicContact CD1-CD1 4.49Å; L108-L147 HydrophobicContact CD1-CD2 4.37Å; L108-L147 HydrophobicContact CD1-CG 4.38Å; L108-H151 HydrophobicContact CD1-CB 4.45Å |
| 109 | Q | 86.9 | Confident | 85.3 | Confident | 105 Ų | 105 | 43.7 Ų | 43.7 | 49% | 0.491 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -10.1 | 173.9 | -69.4 | 176.9 | -12.4 | 0 | 0 | 113.6 | Q105 L106 G107 | Q105-Q109 WeakPolarHBondContact O-CG 3.1Å; Q105-Q109 PolarHBondContact O-N 2.91Å; L106-Q109 PolarHBondContact O-N 2.79Å; G107-Q109 PolarHBondContact O-N 2.94Å |
| 110 | L | 87.6 | Confident | 85.9 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -10.7 | -173.4 | -63.5 | 168.6 | 0 | 0 | 0 | 112.9 | R70 F76 L106 G107 | R70-L110 HydrophobicContact CB-CD2 4.39Å; F76-L110 HydrophobicContact CD1-CB 4.06Å; F76-L110 HydrophobicContact CE1-CB 3.57Å; F76-L110 HydrophobicContact CE2-CD1 4.46Å; F76-L110 HydrophobicContact CZ-CB 3.9Å; F76-L110 HydrophobicContact CZ-CD1 4.15Å; L106-L110 HydrophobicContact CD1-CD1 4.09Å; L106-L110 HydrophobicContact CG-CD1 4.17Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; G107-L110 PolarHBondContact O-N 3.35Å |
| 111 | L | 87.7 | Confident | 86.3 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 121 | -179.5 | -168.2 | 64.9 | 0 | 0 | 0 | 110.2 | A77 F80 G107 A117 V120 | A77-L111 HydrophobicContact CB-CD1 4.13Å; F80-L111 HydrophobicContact CB-CD1 4.33Å; F80-L111 HydrophobicContact CD1-CD1 4.08Å; F80-L111 HydrophobicContact CD1-CD2 3.95Å; F80-L111 HydrophobicContact CD1-CG 4.45Å; F80-L111 HydrophobicContact CE1-CD2 4.3Å; G107-L111 WeakPolarHBondContact O-CB 3.42Å; G107-L111 PolarHBondContact O-N 2.67Å; L111-A117 HydrophobicContact CD2-CB 3.79Å; L111-A117 HydrophobicContact CG-CB 4.09Å; L111-V120 HydrophobicContact CD2-CB 4.26Å; L111-V120 HydrophobicContact CD2-CG1 4.37Å; L111-V120 HydrophobicContact CD2-CG2 4.39Å |
| 112 | P | 85.4 | Confident | 86.8 | Confident | 52 Ų | 52 | 40.8 Ų | 40.8 | 34% | 0.338 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -67.7 | 151.1 | 174.4 | 28.4 | -35.3 | 0 | 0 | 0 | 111.5 | P73 A77 | P73-P112 HydrophobicContact CB-CG 4.43Å; A77-P112 HydrophobicContact CB-CG 4.11Å |
| 113 | E | 83.8 | Confident | 87.3 | Confident | 137 Ų | 137 | 40.7 Ų | 40.7 | 64% | 0.64 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -63.9 | 134.1 | 174.5 | -70.9 | -67.3 | 174.5 | 0 | 0 | 111.5 | R153 | E113-R153 IonicContact OE1-CZ 3.57Å; E113-R153 IonicContact OE1-NH1 2.77Å; E113-R153 PolarHBondContact OE1-NH1 2.78Å; E113-R153 IonicContact OE2-CZ 3.5Å; E113-R153 IonicContact OE2-NH1 3.68Å; E113-R153 PolarHBondContact OE2-NH1 2.74Å; E113-R153 IonicContact OE2-NH2 2.68Å; E113-R153 PolarHBondContact OE2-NH2 2.84Å |
| 114 | G | 85.6 | Confident | 87.6 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 156.5 | -177.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | A116 A117 D118 | G114-A116 VanDerWaalsContact C-N 3.29Å; G114-A116 PolarHBondContact O-N 2.97Å; G114-A117 WeakPolarHBondContact O-CA 3.3Å; G114-A117 WeakPolarHBondContact O-CB 3.37Å; G114-A117 PolarHBondContact O-N 3.01Å; G114-D118 PolarHBondContact O-N 3.23Å; G114-D118 VanDerWaalsContact O-N 3.15Å |
| 115 | P | 84.3 | Confident | 87.8 | Confident | 109 Ų | 109 | 43.8 Ų | 43.8 | 71% | 0.708 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.9 | -34.6 | -171.7 | 23.1 | -33.8 | 0 | 0 | 0 | 113.5 | A117 D118 E119 | P115-A117 VanDerWaalsContact C-N 3.27Å; P115-A117 PolarHBondContact O-N 2.86Å; P115-D118 PolarHBondContact O-N 2.88Å; P115-E119 PolarHBondContact O-N 3.03Å |
| 116 | A | 81.9 | Confident | 87.9 | Confident | 34 Ų | 34 | 49.9 Ų | 49.9 | 28% | 0.281 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -31.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G114 V120 | G114-A116 VanDerWaalsContact C-N 3.29Å; G114-A116 PolarHBondContact O-N 2.97Å; A116-V120 WeakPolarHBondContact O-CG2 3.43Å; A116-V120 PolarHBondContact O-N 3.35Å |
| 117 | A | 86.8 | Confident | 88.1 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73 | -43 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L111 G114 P115 E119 V120 F121 | L111-A117 HydrophobicContact CD2-CB 3.79Å; L111-A117 HydrophobicContact CG-CB 4.09Å; G114-A117 WeakPolarHBondContact O-CA 3.3Å; G114-A117 WeakPolarHBondContact O-CB 3.37Å; G114-A117 PolarHBondContact O-N 3.01Å; P115-A117 VanDerWaalsContact C-N 3.27Å; P115-A117 PolarHBondContact O-N 2.86Å; A117-E119 PolarHBondContact O-N 2.82Å; A117-V120 CarbonylContact O-C 3.6Å; A117-V120 PolarHBondContact O-N 3.3Å; A117-V120 VanDerWaalsContact O-N 3.14Å; A117-F121 HydrophobicContact CB-CD2 4.32Å; A117-F121 HydrophobicContact CB-CE2 4.01Å; A117-F121 WeakPolarHBondContact O-CD2 3.4Å; A117-F121 WeakPolarHBondContact O-CG 3.4Å; A117-F121 PolarHBondContact O-N 3.12Å |
| 118 | D | 88.6 | Confident | 88.2 | Confident | 80 Ų | 80 | 50 Ų | 50 | 43% | 0.428 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 176.7 | -74.3 | -48.6 | 0 | 0 | 0 | 112.9 | G114 P115 V120 F121 A122 R153 | G114-D118 PolarHBondContact O-N 3.23Å; G114-D118 VanDerWaalsContact O-N 3.15Å; P115-D118 PolarHBondContact O-N 2.88Å; D118-V120 VanDerWaalsContact C-N 3.34Å; D118-V120 PolarHBondContact O-N 2.94Å; D118-F121 PolarHBondContact O-N 2.95Å; D118-A122 VanDerWaalsContact O-CB 3.23Å; D118-A122 WeakPolarHBondContact O-CB 3.2Å; D118-A122 PolarHBondContact O-N 2.91Å; D118-R153 IonicContact OD1-CZ 3.65Å; D118-R153 IonicContact OD1-NH2 3.28Å; D118-R153 PolarHBondContact OD1-NH2 3.27Å; D118-R153 IonicContact OD2-NH2 3.41Å |
| 119 | E | 89.6 | Confident | 88.3 | Confident | 120 Ų | 120 | 50.3 Ų | 50.3 | 56% | 0.561 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58.6 | -44.2 | 169.6 | -77.7 | -172.3 | -167.1 | 0 | 0 | 112.3 | A82 P115 A117 L123 | A82-E119 HydrophobicContact CB-CB 4.19Å; P115-E119 PolarHBondContact O-N 3.03Å; A117-E119 PolarHBondContact O-N 2.82Å; E119-L123 WeakPolarHBondContact O-CB 3.23Å; E119-L123 PolarHBondContact O-N 2.82Å |
| 120 | V | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 178.2 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | F80 A82 V85 L108 L111 A116 A117 D118 L123 L124 | F80-V120 HydrophobicContact CE1-CG1 4.06Å; F80-V120 WeakPolarHBondContact O-CG2 3.34Å; A82-V120 HydrophobicContact CB-CG2 4.24Å; V85-V120 HydrophobicContact CG2-CG1 4.26Å; V85-V120 HydrophobicContact CG2-CG2 4.22Å; L108-V120 HydrophobicContact CD2-CG1 3.92Å; L111-V120 HydrophobicContact CD2-CB 4.26Å; L111-V120 HydrophobicContact CD2-CG1 4.37Å; L111-V120 HydrophobicContact CD2-CG2 4.39Å; A116-V120 WeakPolarHBondContact O-CG2 3.43Å; A116-V120 PolarHBondContact O-N 3.35Å; A117-V120 CarbonylContact O-C 3.6Å; A117-V120 PolarHBondContact O-N 3.3Å; A117-V120 VanDerWaalsContact O-N 3.14Å; D118-V120 VanDerWaalsContact C-N 3.34Å; D118-V120 PolarHBondContact O-N 2.94Å; V120-L123 WeakPolarHBondContact O-CB 3.13Å; V120-L123 PolarHBondContact O-N 3.33Å; V120-L124 HydrophobicContact CG1-CD1 3.82Å; V120-L124 HydrophobicContact CG1-CG 4.4Å; V120-L124 WeakPolarHBondContact O-CB 3.41Å; V120-L124 VanDerWaalsContact O-CG 3.25Å; V120-L124 WeakPolarHBondContact O-CG 3.46Å; V120-L124 PolarHBondContact O-N 3.06Å |
| 121 | F | 91.4 | Very high | 88.4 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 174.8 | -70.4 | -55.4 | 0 | 0 | 0 | 111.6 | L108 A117 D118 L123 L124 R125 R153 C154 | L108-F121 HydrophobicContact CD2-CD1 4.41Å; L108-F121 HydrophobicContact CD2-CE1 3.86Å; L108-F121 HydrophobicContact CD2-CZ 4.36Å; A117-F121 HydrophobicContact CB-CD2 4.32Å; A117-F121 HydrophobicContact CB-CE2 4.01Å; A117-F121 WeakPolarHBondContact O-CD2 3.4Å; A117-F121 WeakPolarHBondContact O-CG 3.4Å; A117-F121 PolarHBondContact O-N 3.12Å; D118-F121 PolarHBondContact O-N 2.95Å; F121-L123 VanDerWaalsContact C-N 3.27Å; F121-L123 PolarHBondContact O-N 2.85Å; F121-L124 PolarHBondContact O-N 3.15Å; F121-L124 VanDerWaalsContact O-N 3.16Å; F121-R125 WeakPolarHBondContact O-CG 3.46Å; F121-R125 PolarHBondContact O-N 2.89Å; F121-R153 HydrophobicContact CD1-CB 3.83Å; F121-R153 HydrophobicContact CD2-CB 4.46Å; F121-R153 HydrophobicContact CE1-CB 4.02Å; F121-R153 HydrophobicContact CG-CB 4.09Å; F121-R153 HydrophobicContact CZ-CB 4.43Å; F121-C154 VanDerWaalsContact CD1-SG 3.59Å |
| 122 | A | 89.9 | Confident | 88.6 | Confident | 43 Ų | 43 | 46.1 Ų | 46.1 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.4 | -22.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D118 R126 | D118-A122 VanDerWaalsContact O-CB 3.23Å; D118-A122 WeakPolarHBondContact O-CB 3.2Å; D118-A122 PolarHBondContact O-N 2.91Å; A122-R126 PolarHBondContact O-NE 3.25Å; A122-R126 PolarHBondContact O-NH2 3.41Å |
| 123 | L | 91.7 | Very high | 88.8 | Confident | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.4 | -50.9 | 166 | -174.1 | 73.7 | 0 | 0 | 0 | 110.9 | A82 V85 L86 E119 V120 F121 R125 R126 E127 | A82-L123 HydrophobicContact CB-CB 4.45Å; A82-L123 HydrophobicContact CB-CD2 4.1Å; A82-L123 VanDerWaalsContact O-CD2 3.28Å; A82-L123 WeakPolarHBondContact O-CD2 3.46Å; V85-L123 HydrophobicContact CB-CD2 4.07Å; V85-L123 HydrophobicContact CG1-CD2 3.98Å; L86-L123 HydrophobicContact CB-CD2 3.87Å; L86-L123 HydrophobicContact CD1-CD1 4Å; L86-L123 HydrophobicContact CD1-CD2 4.34Å; L86-L123 HydrophobicContact CD1-CG 4.5Å; L86-L123 HydrophobicContact CD2-CD1 4.36Å; E119-L123 WeakPolarHBondContact O-CB 3.23Å; E119-L123 PolarHBondContact O-N 2.82Å; V120-L123 WeakPolarHBondContact O-CB 3.13Å; V120-L123 PolarHBondContact O-N 3.33Å; F121-L123 VanDerWaalsContact C-N 3.27Å; F121-L123 PolarHBondContact O-N 2.85Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 3.28Å; L123-R126 WeakPolarHBondContact O-CB 3.28Å; L123-R126 PolarHBondContact O-N 3.09Å; L123-E127 HydrophobicContact CD1-CG 4.46Å; L123-E127 HydrophobicContact CG-CG 4.18Å; L123-E127 PolarHBondContact O-N 3.33Å |
| 124 | L | 91.1 | Very high | 89 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -37.3 | -174.6 | -72.5 | 169.7 | 0 | 0 | 0 | 112.7 | V85 L89 V104 L108 V120 F121 R126 E127 V128 C154 | V85-L124 HydrophobicContact CG1-CD2 4.06Å; L89-L124 HydrophobicContact CD1-CD2 3.8Å; V104-L124 HydrophobicContact CG1-CD1 4.11Å; V104-L124 HydrophobicContact CG1-CD2 3.88Å; L108-L124 HydrophobicContact CD1-CD1 3.8Å; L108-L124 HydrophobicContact CD2-CD1 3.9Å; L108-L124 HydrophobicContact CG-CD1 4.28Å; V120-L124 HydrophobicContact CG1-CD1 3.82Å; V120-L124 HydrophobicContact CG1-CG 4.4Å; V120-L124 WeakPolarHBondContact O-CB 3.41Å; V120-L124 VanDerWaalsContact O-CG 3.25Å; V120-L124 WeakPolarHBondContact O-CG 3.46Å; V120-L124 PolarHBondContact O-N 3.06Å; F121-L124 PolarHBondContact O-N 3.15Å; F121-L124 VanDerWaalsContact O-N 3.16Å; L124-R126 PolarHBondContact O-N 3.43Å; L124-R126 VanDerWaalsContact O-N 3.1Å; L124-E127 PolarHBondContact O-N 2.81Å; L124-V128 WeakPolarHBondContact O-CG1 3.46Å; L124-V128 WeakPolarHBondContact O-CG2 3.38Å; L124-V128 PolarHBondContact O-N 3.28Å; L124-C154 HydrophobicContact CB-CB 4.32Å |
| 125 | R | 91.6 | Very high | 89 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 28% | 0.275 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.9 | -28.8 | 173.3 | -68.9 | -174.3 | -159.8 | 156.6 | 15.6 | 113.7 | F121 L123 R153 C154 V155 D157 | F121-R125 WeakPolarHBondContact O-CG 3.46Å; F121-R125 PolarHBondContact O-N 2.89Å; L123-R125 VanDerWaalsContact C-N 3.33Å; L123-R125 PolarHBondContact O-N 3.28Å; R125-R153 PolarHBondContact NE-O 2.84Å; R125-R153 PolarHBondContact NH2-O 3Å; R125-C154 WeakPolarHBondContact CA-O 3.39Å; R125-V155 WeakPolarHBondContact CD-O 3.32Å; R125-V155 WeakPolarHBondContact CG-O 3.28Å; R125-D157 WeakPolarHBondContact CD-OD2 3.39Å; R125-D157 IonicContact CZ-OD2 3.39Å; R125-D157 VanDerWaalsContact CZ-OD2 3.3Å; R125-D157 IonicContact NE-OD2 2.69Å; R125-D157 PolarHBondContact NE-OD2 2.92Å; R125-D157 IonicContact NH1-OD2 3.53Å; R125-D157 PolarHBondContact NH1-OD2 3.01Å |
| 126 | R | 89.6 | Confident | 89.1 | Confident | 156 Ų | 156 | 42.9 Ų | 42.9 | 59% | 0.589 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -88.2 | -45.4 | 176.1 | -68.9 | 174.5 | -76.4 | 169.3 | -2.2 | 111.4 | A122 L123 L124 V128 L129 R130 | A122-R126 PolarHBondContact O-NE 3.25Å; A122-R126 PolarHBondContact O-NH2 3.41Å; L123-R126 WeakPolarHBondContact O-CB 3.28Å; L123-R126 PolarHBondContact O-N 3.09Å; L124-R126 PolarHBondContact O-N 3.43Å; L124-R126 VanDerWaalsContact O-N 3.1Å; R126-V128 PolarHBondContact O-N 2.75Å; R126-L129 PolarHBondContact O-N 3.05Å; R126-R130 PolarHBondContact O-N 3.02Å |
| 127 | E | 88.8 | Confident | 89.3 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.7 | -32.3 | -177.3 | -70.3 | -62.5 | 110.1 | 0 | 0 | 113.7 | L86 L89 Q90 L123 L124 R130 T131 | L86-E127 HydrophobicContact CD1-CG 3.87Å; L89-E127 HydrophobicContact CD1-CB 3.89Å; L89-E127 HydrophobicContact CD1-CG 4.14Å; Q90-E127 PolarHBondContact NE2-OE1 3.45Å; Q90-E127 VanDerWaalsContact NE2-OE1 3.1Å; Q90-E127 PolarHBondContact NE2-OE2 2.95Å; Q90-E127 VanDerWaalsContact NE2-OE2 3.1Å; L123-E127 HydrophobicContact CD1-CG 4.46Å; L123-E127 HydrophobicContact CG-CG 4.18Å; L123-E127 PolarHBondContact O-N 3.33Å; L124-E127 PolarHBondContact O-N 2.81Å; E127-R130 IonicContact OE1-NE 3.71Å; E127-R130 PolarHBondContact OE1-NE 3.42Å; E127-R130 IonicContact OE2-CZ 3.81Å; E127-R130 VanDerWaalsContact OE2-CZ 3.24Å; E127-R130 IonicContact OE2-NE 3.54Å; E127-R130 PolarHBondContact OE2-NE 3.28Å; E127-R130 IonicContact OE2-NH2 3.51Å; E127-R130 PolarHBondContact OE2-NH2 2.75Å; E127-T131 VanDerWaalsContact O-CB 3.28Å; E127-T131 WeakPolarHBondContact O-CB 3.41Å; E127-T131 PolarHBondContact O-N 2.65Å; E127-T131 PolarHBondContact O-OG1 2.85Å |
| 128 | V | 90.6 | Very high | 89.5 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.3 | -36.2 | 173.3 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | L124 R126 V132 V144 L148 P156 F164 | L124-V128 WeakPolarHBondContact O-CG1 3.46Å; L124-V128 WeakPolarHBondContact O-CG2 3.38Å; L124-V128 PolarHBondContact O-N 3.28Å; R126-V128 PolarHBondContact O-N 2.75Å; V128-V132 WeakPolarHBondContact O-CG2 3.07Å; V128-V132 PolarHBondContact O-N 3.38Å; V128-V132 VanDerWaalsContact O-N 3.11Å; V128-V144 HydrophobicContact CB-CG1 4.2Å; V128-V144 HydrophobicContact CG1-CG1 4.36Å; V128-L148 HydrophobicContact CG1-CD2 4.27Å; V128-L148 HydrophobicContact CG2-CD2 4.39Å; V128-P156 HydrophobicContact CG2-CG 3.86Å; V128-F164 HydrophobicContact CB-CE2 4.39Å; V128-F164 HydrophobicContact CG2-CE2 4.22Å |
| 129 | L | 91.3 | Very high | 89.3 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.9 | -48.1 | 174.1 | 175.5 | 61.7 | 0 | 0 | 0 | 110.9 | R126 T131 V132 C133 P156 H160 L163 F164 | R126-L129 PolarHBondContact O-N 3.05Å; L129-T131 VanDerWaalsContact C-N 3.31Å; L129-T131 PolarHBondContact O-N 3.08Å; L129-V132 PolarHBondContact O-N 3.47Å; L129-C133 WeakPolarHBondContact O-CB 3.25Å; L129-C133 PolarHBondContact O-N 2.96Å; L129-C133 PolarHBondContact O-SG 3.33Å; L129-C133 VanDerWaalsContact O-SG 3.33Å; L129-P156 HydrophobicContact CB-CG 4.26Å; L129-H160 HydrophobicContact CD2-CB 4.03Å; L129-L163 HydrophobicContact CD1-CD2 4.38Å; L129-L163 HydrophobicContact CD1-CG 4.27Å; L129-L163 HydrophobicContact CD2-CD2 4.45Å; L129-F164 HydrophobicContact CB-CD2 4.43Å; L129-F164 HydrophobicContact CD1-CB 4.05Å; L129-F164 HydrophobicContact CD1-CD2 4.08Å |
| 130 | R | 89.8 | Confident | 89.1 | Confident | 59 Ų | 59 | 37.1 Ų | 37.1 | 22% | 0.223 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -52.6 | -51.2 | 173.2 | -178.2 | -174.2 | 66.6 | 79.7 | 0.3 | 110.9 | L89 R126 E127 V132 C133 E134 | L89-R130 PolarHBondContact O-NH2 3.27Å; R126-R130 PolarHBondContact O-N 3.02Å; E127-R130 IonicContact OE1-NE 3.71Å; E127-R130 PolarHBondContact OE1-NE 3.42Å; E127-R130 IonicContact OE2-CZ 3.81Å; E127-R130 VanDerWaalsContact OE2-CZ 3.24Å; E127-R130 IonicContact OE2-NE 3.54Å; E127-R130 PolarHBondContact OE2-NE 3.28Å; E127-R130 IonicContact OE2-NH2 3.51Å; E127-R130 PolarHBondContact OE2-NH2 2.75Å; R130-V132 VanDerWaalsContact C-N 3.29Å; R130-V132 PolarHBondContact O-N 2.98Å; R130-C133 PolarHBondContact O-N 3.43Å; R130-C133 VanDerWaalsContact O-N 3.17Å; R130-E134 WeakPolarHBondContact CD-OE1 3.45Å; R130-E134 WeakPolarHBondContact CG-OE1 3.45Å; R130-E134 IonicContact CZ-OE1 2.76Å; R130-E134 IonicContact CZ-OE2 2.65Å; R130-E134 IonicContact NE-OE1 3.69Å; R130-E134 IonicContact NH1-OE1 3.46Å; R130-E134 PolarHBondContact NH1-OE1 3.08Å; R130-E134 IonicContact NH1-OE2 2.72Å; R130-E134 PolarHBondContact NH1-OE2 2.87Å; R130-E134 WeakPolarHBondContact O-CG 3.46Å; R130-E134 PolarHBondContact O-N 3.36Å |
| 131 | T | 86.8 | Confident | 89.1 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.5 | -41.9 | -179.3 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | P96 E127 L129 P136 V144 | P96-T131 HydrophobicContact CG-CG2 3.83Å; P96-T131 WeakPolarHBondContact CG-OG1 3.18Å; E127-T131 VanDerWaalsContact O-CB 3.28Å; E127-T131 WeakPolarHBondContact O-CB 3.41Å; E127-T131 PolarHBondContact O-N 2.65Å; E127-T131 PolarHBondContact O-OG1 2.85Å; L129-T131 VanDerWaalsContact C-N 3.31Å; L129-T131 PolarHBondContact O-N 3.08Å; T131-P136 HydrophobicContact CG2-CG 4.24Å; T131-P136 WeakPolarHBondContact O-CD 3.41Å; T131-P136 VanDerWaalsContact O-CG 3.26Å; T131-P136 WeakPolarHBondContact O-CG 3.48Å; T131-V144 HydrophobicContact CG2-CG2 3.97Å |
| 132 | V | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -79.5 | -33.3 | 179.3 | 175.2 | 0 | 0 | 0 | 0 | 112.2 | V128 L129 R130 E134 R135 V144 F164 Q167 L168 C171 | V128-V132 WeakPolarHBondContact O-CG2 3.07Å; V128-V132 PolarHBondContact O-N 3.38Å; V128-V132 VanDerWaalsContact O-N 3.11Å; L129-V132 PolarHBondContact O-N 3.47Å; R130-V132 VanDerWaalsContact C-N 3.29Å; R130-V132 PolarHBondContact O-N 2.98Å; V132-E134 PolarHBondContact O-N 2.91Å; V132-R135 PolarHBondContact O-N 3.49Å; V132-V144 HydrophobicContact CG2-CG1 4.36Å; V132-F164 HydrophobicContact CB-CD2 4.27Å; V132-F164 HydrophobicContact CB-CE2 3.92Å; V132-F164 HydrophobicContact CG1-CE2 4.43Å; V132-F164 HydrophobicContact CG2-CD2 4.36Å; V132-F164 HydrophobicContact CG2-CE2 3.54Å; V132-F164 HydrophobicContact CG2-CZ 4.15Å; V132-Q167 HydrophobicContact CG1-CB 3.77Å; V132-L168 HydrophobicContact CG1-CD2 3.79Å; V132-L168 HydrophobicContact CG1-CG 4.11Å; V132-L168 HydrophobicContact CG2-CD2 3.95Å; V132-C171 PolarHBondContact O-SG 2.73Å; V132-C171 VanDerWaalsContact O-SG 3.36Å |
| 133 | C | 90.2 | Very high | 88.9 | Confident | 48 Ų | 48 | 36.1 Ų | 36.1 | 32% | 0.324 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.9 | -28.7 | 170.6 | -72.7 | 0 | 0 | 0 | 0 | 112.9 | L129 R130 R135 | L129-C133 WeakPolarHBondContact O-CB 3.25Å; L129-C133 PolarHBondContact O-N 2.96Å; L129-C133 PolarHBondContact O-SG 3.33Å; L129-C133 VanDerWaalsContact O-SG 3.33Å; R130-C133 PolarHBondContact O-N 3.43Å; R130-C133 VanDerWaalsContact O-N 3.17Å; C133-R135 PolarHBondContact O-N 3Å |
| 134 | E | 88.1 | Confident | 88.8 | Confident | 83 Ų | 83 | 35.3 Ų | 35.3 | 39% | 0.388 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 2.7 | 173.2 | -74 | 167 | -170.5 | 0 | 0 | 113.9 | R130 V132 | R130-E134 WeakPolarHBondContact CD-OE1 3.45Å; R130-E134 WeakPolarHBondContact CG-OE1 3.45Å; R130-E134 IonicContact CZ-OE1 2.76Å; R130-E134 IonicContact CZ-OE2 2.65Å; R130-E134 IonicContact NE-OE1 3.69Å; R130-E134 IonicContact NH1-OE1 3.46Å; R130-E134 PolarHBondContact NH1-OE1 3.08Å; R130-E134 IonicContact NH1-OE2 2.72Å; R130-E134 PolarHBondContact NH1-OE2 2.87Å; R130-E134 WeakPolarHBondContact O-CG 3.46Å; R130-E134 PolarHBondContact O-N 3.36Å; V132-E134 PolarHBondContact O-N 2.91Å |
| 135 | R | 85.9 | Confident | 88.8 | Confident | 119 Ų | 119 | 35.4 Ų | 35.4 | 45% | 0.449 | 18% | 0.177 | S | C | . | . | trans | 52 | 59.6 | 174.5 | -60.9 | 171.8 | 177.8 | 178 | -3 | 113.4 | V132 C133 | V132-R135 PolarHBondContact O-N 3.49Å; C133-R135 PolarHBondContact O-N 3Å | ||
| 136 | P | 85.6 | Confident | 88.8 | Confident | 7 Ų | 7 | 36 Ų | 36 | 5% | 0.045 | 18% | 0.18 | C | C | . | . | trans | -81.3 | 161.1 | -170.8 | 38 | -34.8 | 0 | 0 | 0 | 111.1 | P95 T131 A140 | P95-P136 HydrophobicContact CB-CB 3.86Å; P95-P136 HydrophobicContact CG-CB 3.97Å; T131-P136 HydrophobicContact CG2-CG 4.24Å; T131-P136 WeakPolarHBondContact O-CD 3.41Å; T131-P136 VanDerWaalsContact O-CG 3.26Å; T131-P136 WeakPolarHBondContact O-CG 3.48Å; P136-A140 HydrophobicContact CB-CB 3.99Å; P136-A140 HydrophobicContact CG-CB 4.47Å | ||
| 137 | G | 86.8 | Confident | 88.7 | Confident | 43 Ų | 43 | 28.7 Ų | 28.7 | 44% | 0.443 | 15% | 0.152 | S | C | . | . | trans | -64.9 | 163.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A139 A140 C141 | G137-A139 VanDerWaalsContact C-N 3.33Å; G137-A139 PolarHBondContact O-N 3.38Å; G137-A139 VanDerWaalsContact O-N 3.14Å; G137-A140 PolarHBondContact O-N 2.78Å; G137-C141 PolarHBondContact O-N 3.16Å; G137-C141 VanDerWaalsContact O-N 3.16Å | ||
| 138 | P | 89.7 | Confident | 88.8 | Confident | 18 Ų | 18 | 28 Ų | 28 | 12% | 0.117 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -47.2 | -47.9 | -173 | -30.2 | 34.9 | 0 | 0 | 0 | 114.7 | A140 C141 A142 F175 F188 Q191 | P138-A140 VanDerWaalsContact C-N 3.32Å; P138-A140 PolarHBondContact O-N 3.1Å; P138-C141 PolarHBondContact O-N 3.4Å; P138-A142 WeakPolarHBondContact O-CB 3.44Å; P138-A142 PolarHBondContact O-N 2.71Å; P138-F175 HydrophobicContact CB-CD1 4.34Å; P138-F175 HydrophobicContact CB-CD2 4.05Å; P138-F175 HydrophobicContact CB-CE1 4.46Å; P138-F175 HydrophobicContact CB-CE2 4.17Å; P138-F175 HydrophobicContact CB-CG 4.17Å; P138-F175 HydrophobicContact CB-CZ 4.41Å; P138-F175 HydrophobicContact CG-CB 3.94Å; P138-F175 HydrophobicContact CG-CD1 3.78Å; P138-F175 HydrophobicContact CG-CD2 4.04Å; P138-F175 HydrophobicContact CG-CE1 4.31Å; P138-F175 HydrophobicContact CG-CG 3.66Å; P138-F188 HydrophobicContact CB-CD2 4.39Å; P138-F188 HydrophobicContact CB-CE2 4.5Å; P138-F188 HydrophobicContact CG-CD2 4.2Å; P138-F188 HydrophobicContact CG-CE2 3.97Å; P138-Q191 VanDerWaalsContact C-OE1 3.3Å; P138-Q191 HydrophobicContact CB-CB 4.32Å |
| 139 | A | 85.9 | Confident | 88.7 | Confident | 39 Ų | 39 | 30.2 Ų | 30.2 | 32% | 0.322 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.1 | -34.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G137 Q143 | G137-A139 VanDerWaalsContact C-N 3.33Å; G137-A139 PolarHBondContact O-N 3.38Å; G137-A139 VanDerWaalsContact O-N 3.14Å; A139-Q143 WeakPolarHBondContact O-CG 3.44Å; A139-Q143 PolarHBondContact O-N 3.46Å; A139-Q143 VanDerWaalsContact O-N 3.1Å |
| 140 | A | 85.5 | Confident | 88.6 | Confident | 15 Ų | 15 | 36.1 Ų | 36.1 | 12% | 0.124 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -75.6 | -43.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P136 G137 P138 A142 Q143 V144 | P136-A140 HydrophobicContact CB-CB 3.99Å; P136-A140 HydrophobicContact CG-CB 4.47Å; G137-A140 PolarHBondContact O-N 2.78Å; P138-A140 VanDerWaalsContact C-N 3.32Å; P138-A140 PolarHBondContact O-N 3.1Å; A140-A142 VanDerWaalsContact C-N 3.33Å; A140-A142 PolarHBondContact O-N 3.15Å; A140-Q143 PolarHBondContact O-N 3.21Å; A140-V144 PolarHBondContact O-N 2.87Å |
| 141 | C | 90.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.2 | -44.2 | 170.8 | -79.4 | 0 | 0 | 0 | 0 | 111.9 | G137 P138 Q143 V144 A145 F175 V195 | G137-C141 PolarHBondContact O-N 3.16Å; G137-C141 VanDerWaalsContact O-N 3.16Å; P138-C141 PolarHBondContact O-N 3.4Å; C141-Q143 VanDerWaalsContact C-N 3.28Å; C141-Q143 PolarHBondContact O-N 3.09Å; C141-V144 PolarHBondContact O-N 2.66Å; C141-A145 PolarHBondContact O-N 3.22Å; C141-F175 HydrophobicContact CB-CE1 4.11Å; C141-F175 HydrophobicContact CB-CZ 3.58Å; C141-V195 HydrophobicContact CB-CG2 3.61Å |
| 142 | A | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -34.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P138 A140 A145 R146 Q191 Q194 V195 | P138-A142 WeakPolarHBondContact O-CB 3.44Å; P138-A142 PolarHBondContact O-N 2.71Å; A140-A142 VanDerWaalsContact C-N 3.33Å; A140-A142 PolarHBondContact O-N 3.15Å; A142-A145 WeakPolarHBondContact O-CB 3.44Å; A142-A145 PolarHBondContact O-N 2.88Å; A142-R146 WeakPolarHBondContact O-CG 3.17Å; A142-R146 PolarHBondContact O-N 2.83Å; A142-Q191 HydrophobicContact CB-CB 3.84Å; A142-Q191 HydrophobicContact CB-CG 3.84Å; A142-Q194 HydrophobicContact CB-CB 4.45Å; A142-V195 HydrophobicContact CB-CG2 4.4Å |
| 143 | Q | 86.3 | Confident | 88.6 | Confident | 33 Ų | 33 | 43.3 Ų | 43.3 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70 | -39.5 | 172.2 | -75.6 | -167.9 | 5.6 | 0 | 0 | 113.6 | P98 L101 A139 A140 C141 A145 R146 L147 | P98-Q143 VanDerWaalsContact CB-NE2 3.29Å; P98-Q143 PolarHBondContact O-NE2 3.08Å; P98-Q143 PolarHBondContact O-OE1 2.67Å; L101-Q143 HydrophobicContact CB-CB 4.39Å; L101-Q143 HydrophobicContact CD1-CB 3.95Å; A139-Q143 WeakPolarHBondContact O-CG 3.44Å; A139-Q143 PolarHBondContact O-N 3.46Å; A139-Q143 VanDerWaalsContact O-N 3.1Å; A140-Q143 PolarHBondContact O-N 3.21Å; C141-Q143 VanDerWaalsContact C-N 3.28Å; C141-Q143 PolarHBondContact O-N 3.09Å; Q143-A145 VanDerWaalsContact C-N 3.28Å; Q143-A145 PolarHBondContact O-N 3.17Å; Q143-R146 PolarHBondContact O-N 2.85Å; Q143-L147 WeakPolarHBondContact O-CB 3.34Å; Q143-L147 PolarHBondContact O-N 2.88Å |
| 144 | V | 89.4 | Confident | 88.6 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 170.9 | 174.3 | 0 | 0 | 0 | 0 | 110 | L101 V128 T131 V132 A140 C141 L147 L148 F164 | L101-V144 HydrophobicContact CD1-CG2 4.1Å; V128-V144 HydrophobicContact CB-CG1 4.2Å; V128-V144 HydrophobicContact CG1-CG1 4.36Å; T131-V144 HydrophobicContact CG2-CG2 3.97Å; V132-V144 HydrophobicContact CG2-CG1 4.36Å; A140-V144 PolarHBondContact O-N 2.87Å; C141-V144 PolarHBondContact O-N 2.66Å; V144-L147 PolarHBondContact O-N 2.75Å; V144-L148 HydrophobicContact CG1-CD1 3.99Å; V144-L148 HydrophobicContact CG1-CG 4.29Å; V144-L148 WeakPolarHBondContact O-CG 3.23Å; V144-L148 PolarHBondContact O-N 2.98Å; V144-F164 HydrophobicContact CG1-CZ 4.16Å |
| 145 | A | 92.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -48.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C141 A142 Q143 L147 L148 A149 Q194 V195 L198 | C141-A145 PolarHBondContact O-N 3.22Å; A142-A145 WeakPolarHBondContact O-CB 3.44Å; A142-A145 PolarHBondContact O-N 2.88Å; Q143-A145 VanDerWaalsContact C-N 3.28Å; Q143-A145 PolarHBondContact O-N 3.17Å; A145-L147 VanDerWaalsContact C-N 3.28Å; A145-L147 PolarHBondContact O-N 2.88Å; A145-L148 PolarHBondContact O-N 3.48Å; A145-A149 VanDerWaalsContact O-CB 3.27Å; A145-A149 WeakPolarHBondContact O-CB 3.35Å; A145-A149 PolarHBondContact O-N 2.92Å; A145-Q194 WeakPolarHBondContact CB-O 3.13Å; A145-V195 HydrophobicContact CB-CG2 4.44Å; A145-L198 HydrophobicContact CB-CB 3.95Å; A145-L198 HydrophobicContact CB-CD2 4.11Å |
| 146 | R | 89.6 | Confident | 89 | Confident | 86 Ų | 86 | 32 Ų | 32 | 33% | 0.325 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.5 | -29.3 | 175.9 | -70.9 | -173.3 | -67.7 | -124.6 | 14.4 | 113.4 | Q105 A142 Q143 R150 | Q105-R146 PolarHBondContact NE2-O 3.35Å; A142-R146 WeakPolarHBondContact O-CG 3.17Å; A142-R146 PolarHBondContact O-N 2.83Å; Q143-R146 PolarHBondContact O-N 2.85Å; R146-R150 WeakPolarHBondContact O-CG 3.13Å |
| 147 | L | 88.8 | Confident | 88.9 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.1 | -52.1 | 174.3 | -173.8 | 155.6 | 0 | 0 | 0 | 110.8 | V104 L108 Q143 V144 A145 A149 R150 H151 C154 | V104-L147 HydrophobicContact CG1-CD1 4.07Å; L108-L147 HydrophobicContact CD1-CD1 4.49Å; L108-L147 HydrophobicContact CD1-CD2 4.37Å; L108-L147 HydrophobicContact CD1-CG 4.38Å; Q143-L147 WeakPolarHBondContact O-CB 3.34Å; Q143-L147 PolarHBondContact O-N 2.88Å; V144-L147 PolarHBondContact O-N 2.75Å; A145-L147 VanDerWaalsContact C-N 3.28Å; A145-L147 PolarHBondContact O-N 2.88Å; L147-A149 PolarHBondContact O-N 3.44Å; L147-R150 PolarHBondContact O-N 3.32Å; L147-H151 PolarHBondContact O-N 2.86Å; L147-C154 HydrophobicContact CD2-CB 3.86Å |
| 148 | L | 91.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66 | -38.6 | -177.4 | -66.1 | -176.1 | 0 | 0 | 0 | 112.7 | V128 V144 A145 R150 H151 C154 V155 F164 L198 | V128-L148 HydrophobicContact CG1-CD2 4.27Å; V128-L148 HydrophobicContact CG2-CD2 4.39Å; V144-L148 HydrophobicContact CG1-CD1 3.99Å; V144-L148 HydrophobicContact CG1-CG 4.29Å; V144-L148 WeakPolarHBondContact O-CG 3.23Å; V144-L148 PolarHBondContact O-N 2.98Å; A145-L148 PolarHBondContact O-N 3.48Å; L148-R150 VanDerWaalsContact C-N 3.26Å; L148-R150 PolarHBondContact O-N 3.18Å; L148-H151 CarbonylContact O-C 3.54Å; L148-H151 VanDerWaalsContact O-C 3.29Å; L148-H151 PolarHBondContact O-N 3.42Å; L148-C154 VanDerWaalsContact CD2-C 3.48Å; L148-C154 HydrophobicContact CD2-CB 3.46Å; L148-C154 VanDerWaalsContact CD2-CB 3.46Å; L148-C154 WeakPolarHBondContact CD2-O 3.42Å; L148-V155 HydrophobicContact CB-CG2 4.21Å; L148-V155 HydrophobicContact CD1-CG2 4.44Å; L148-V155 HydrophobicContact CD2-CG2 4.08Å; L148-V155 HydrophobicContact CG-CG2 4.48Å; L148-F164 HydrophobicContact CD1-CE1 3.55Å; L148-F164 HydrophobicContact CD1-CZ 3.41Å; L148-F164 VanDerWaalsContact CD1-CZ 3.41Å; L148-L198 HydrophobicContact CB-CD1 3.95Å; L148-L198 HydrophobicContact CB-CD2 4.3Å; L148-L198 HydrophobicContact CD1-CD2 3.81Å |
| 149 | A | 88.8 | Confident | 88.4 | Confident | 51 Ų | 51 | 38.9 Ų | 38.9 | 42% | 0.421 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.2 | -26.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | A145 L147 | A145-A149 VanDerWaalsContact O-CB 3.27Å; A145-A149 WeakPolarHBondContact O-CB 3.35Å; A145-A149 PolarHBondContact O-N 2.92Å; L147-A149 PolarHBondContact O-N 3.44Å |
| 150 | R | 88.4 | Confident | 88.5 | Confident | 145 Ų | 145 | 41.9 Ų | 41.9 | 55% | 0.547 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -90.3 | -27.9 | 174 | -70.1 | -170.3 | -173.9 | 152.7 | -3.8 | 113.5 | Q105 R146 L147 L148 | Q105-R150 VanDerWaalsContact CD-NH1 3.29Å; Q105-R150 VanDerWaalsContact OE1-NH1 3.1Å; R146-R150 WeakPolarHBondContact O-CG 3.13Å; L147-R150 PolarHBondContact O-N 3.32Å; L148-R150 VanDerWaalsContact C-N 3.26Å; L148-R150 PolarHBondContact O-N 3.18Å |
| 151 | H | 88.9 | Confident | 88.8 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 15% | 0.148 | 23% | 0.23 | C | C | . | . | trans | -132.2 | 77.8 | -178.2 | -56.9 | -83.8 | 0 | 0 | 0 | 111.3 | L108 L147 L148 R153 C154 | L108-H151 HydrophobicContact CD1-CB 4.45Å; L147-H151 PolarHBondContact O-N 2.86Å; L148-H151 CarbonylContact O-C 3.54Å; L148-H151 VanDerWaalsContact O-C 3.29Å; L148-H151 PolarHBondContact O-N 3.42Å; H151-R153 PolarHBondContact O-N 2.85Å; H151-C154 VanDerWaalsContact O-CB 3.3Å; H151-C154 WeakPolarHBondContact O-CB 3.2Å; H151-C154 PolarHBondContact O-N 2.92Å | ||
| 152 | P | 88.4 | Confident | 88.8 | Confident | 93 Ų | 93 | 46 Ų | 46 | 60% | 0.604 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -56.8 | -24.1 | -179.1 | -28.6 | 36.8 | 0 | 0 | 0 | 114.8 | C154 V155 | P152-C154 PolarHBondContact O-N 3.38Å; P152-V155 WeakPolarHBondContact O-CB 3.35Å; P152-V155 WeakPolarHBondContact O-CG2 3.41Å; P152-V155 PolarHBondContact O-N 2.98Å |
| 153 | R | 88.8 | Confident | 88.8 | Confident | 87 Ų | 87 | 49.1 Ų | 49.1 | 33% | 0.328 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -59.6 | -12.2 | 170.5 | -79.4 | 172.6 | 75.1 | -176 | 4 | 114.4 | E113 D118 F121 R125 H151 | E113-R153 IonicContact OE1-CZ 3.57Å; E113-R153 IonicContact OE1-NH1 2.77Å; E113-R153 PolarHBondContact OE1-NH1 2.78Å; E113-R153 IonicContact OE2-CZ 3.5Å; E113-R153 IonicContact OE2-NH1 3.68Å; E113-R153 PolarHBondContact OE2-NH1 2.74Å; E113-R153 IonicContact OE2-NH2 2.68Å; E113-R153 PolarHBondContact OE2-NH2 2.84Å; D118-R153 IonicContact OD1-CZ 3.65Å; D118-R153 IonicContact OD1-NH2 3.28Å; D118-R153 PolarHBondContact OD1-NH2 3.27Å; D118-R153 IonicContact OD2-NH2 3.41Å; F121-R153 HydrophobicContact CD1-CB 3.83Å; F121-R153 HydrophobicContact CD2-CB 4.46Å; F121-R153 HydrophobicContact CE1-CB 4.02Å; F121-R153 HydrophobicContact CG-CB 4.09Å; F121-R153 HydrophobicContact CZ-CB 4.43Å; R125-R153 PolarHBondContact NE-O 2.84Å; R125-R153 PolarHBondContact NH2-O 3Å; H151-R153 PolarHBondContact O-N 2.85Å |
| 154 | C | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -90.8 | -8.5 | 174.7 | -60.7 | 0 | 0 | 0 | 0 | 113.9 | F121 L124 R125 L147 L148 H151 P152 | F121-C154 VanDerWaalsContact CD1-SG 3.59Å; L124-C154 HydrophobicContact CB-CB 4.32Å; R125-C154 WeakPolarHBondContact CA-O 3.39Å; L147-C154 HydrophobicContact CD2-CB 3.86Å; L148-C154 VanDerWaalsContact CD2-C 3.48Å; L148-C154 HydrophobicContact CD2-CB 3.46Å; L148-C154 VanDerWaalsContact CD2-CB 3.46Å; L148-C154 WeakPolarHBondContact CD2-O 3.42Å; H151-C154 VanDerWaalsContact O-CB 3.3Å; H151-C154 WeakPolarHBondContact O-CB 3.2Å; H151-C154 PolarHBondContact O-N 2.92Å; P152-C154 PolarHBondContact O-N 3.38Å |
| 155 | V | 90.8 | Very high | 89.4 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -69.4 | 137 | -178.9 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | R125 L148 P152 R161 L202 | R125-V155 WeakPolarHBondContact CD-O 3.32Å; R125-V155 WeakPolarHBondContact CG-O 3.28Å; L148-V155 HydrophobicContact CB-CG2 4.21Å; L148-V155 HydrophobicContact CD1-CG2 4.44Å; L148-V155 HydrophobicContact CD2-CG2 4.08Å; L148-V155 HydrophobicContact CG-CG2 4.48Å; P152-V155 WeakPolarHBondContact O-CB 3.35Å; P152-V155 WeakPolarHBondContact O-CG2 3.41Å; P152-V155 PolarHBondContact O-N 2.98Å; V155-R161 HydrophobicContact CG1-CG 4.34Å; V155-L202 HydrophobicContact CG1-CD2 3.48Å; V155-L202 VanDerWaalsContact CG1-CD2 3.48Å; V155-L202 HydrophobicContact CG2-CD2 4.16Å |
| 156 | P | 91 | Very high | 89.5 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | trans | -58.8 | 150.6 | 176.3 | -24 | 34.2 | 0 | 0 | 0 | 113.1 | V128 L129 H160 R161 F164 | V128-P156 HydrophobicContact CG2-CG 3.86Å; L129-P156 HydrophobicContact CB-CG 4.26Å; P156-H160 HydrophobicContact CB-CB 3.89Å; P156-R161 WeakPolarHBondContact O-CB 3.3Å; P156-R161 PolarHBondContact O-NE 2.88Å; P156-F164 HydrophobicContact CG-CB 4.06Å; P156-F164 HydrophobicContact CG-CD1 4.33Å; P156-F164 HydrophobicContact CG-CD2 4.02Å; P156-F164 HydrophobicContact CG-CG 3.89Å | ||
| 157 | D | 84.8 | Confident | 89.7 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | trans | -114.8 | 153.9 | -173.8 | -66.9 | -42.2 | 0 | 0 | 0 | 114.1 | R125 H160 R161 | R125-D157 WeakPolarHBondContact CD-OD2 3.39Å; R125-D157 IonicContact CZ-OD2 3.39Å; R125-D157 VanDerWaalsContact CZ-OD2 3.3Å; R125-D157 IonicContact NE-OD2 2.69Å; R125-D157 PolarHBondContact NE-OD2 2.92Å; R125-D157 IonicContact NH1-OD2 3.53Å; R125-D157 PolarHBondContact NH1-OD2 3.01Å; D157-H160 WeakPolarHBondContact O-CB 3.42Å; D157-H160 PolarHBondContact O-N 2.88Å; D157-H160 PolarHBondContact O-ND1 3.43Å; D157-R161 IonicContact OD1-CZ 3.4Å; D157-R161 IonicContact OD1-NH2 3.65Å; D157-R161 PolarHBondContact OD1-NH2 3.23Å | ||
| 158 | G | 83.2 | Confident | 90 | Very high | 47 Ų | 47 | 46.2 Ų | 46.2 | 49% | 0.485 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -134.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H160 R161 | G158-H160 PolarHBondContact O-N 2.88Å; G158-R161 WeakPolarHBondContact O-CB 3.49Å; G158-R161 PolarHBondContact O-N 2.84Å; G158-R161 VanDerWaalsContact O-N 3.08Å |
| 159 | P | 81.8 | Confident | 90.1 | Very high | 103 Ų | 103 | 46.1 Ų | 46.1 | 67% | 0.669 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.8 | -26.8 | -176.7 | 27.3 | -35.1 | 0 | 0 | 0 | 113 | R161 L162 L163 | P159-R161 PolarHBondContact O-N 3.3Å; P159-L162 PolarHBondContact O-N 2.93Å; P159-L163 PolarHBondContact O-N 2.89Å |
| 160 | H | 89.2 | Confident | 90.3 | Very high | 103 Ų | 103 | 47 Ų | 47 | 48% | 0.477 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63 | -27 | 176.9 | -57.1 | 101.8 | 0 | 0 | 0 | 112.8 | L129 P156 D157 G158 F164 | L129-H160 HydrophobicContact CD2-CB 4.03Å; P156-H160 HydrophobicContact CB-CB 3.89Å; D157-H160 WeakPolarHBondContact O-CB 3.42Å; D157-H160 PolarHBondContact O-N 2.88Å; D157-H160 PolarHBondContact O-ND1 3.43Å; G158-H160 PolarHBondContact O-N 2.88Å; H160-F164 VanDerWaalsContact O-CB 3.23Å; H160-F164 WeakPolarHBondContact O-CB 3.12Å; H160-F164 PolarHBondContact O-N 2.91Å |
| 161 | R | 90.2 | Very high | 90.5 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 20% | 0.2 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.9 | -38.6 | 176.2 | -163.1 | 172.2 | -67.9 | -177.6 | 0.9 | 111.8 | V155 P156 D157 G158 P159 F164 C165 | V155-R161 HydrophobicContact CG1-CG 4.34Å; P156-R161 WeakPolarHBondContact O-CB 3.3Å; P156-R161 PolarHBondContact O-NE 2.88Å; D157-R161 IonicContact OD1-CZ 3.4Å; D157-R161 IonicContact OD1-NH2 3.65Å; D157-R161 PolarHBondContact OD1-NH2 3.23Å; G158-R161 WeakPolarHBondContact O-CB 3.49Å; G158-R161 PolarHBondContact O-N 2.84Å; G158-R161 VanDerWaalsContact O-N 3.08Å; P159-R161 PolarHBondContact O-N 3.3Å; R161-F164 PolarHBondContact O-N 3.45Å; R161-C165 PolarHBondContact O-N 2.96Å; R161-C165 VanDerWaalsContact O-N 3.1Å; R161-C165 PolarHBondContact O-SG 3.09Å |
| 162 | L | 91 | Very high | 90.8 | Very high | 49 Ų | 49 | 38.7 Ų | 38.7 | 26% | 0.257 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.3 | -49.3 | 177.7 | -172.5 | 62.1 | 0 | 0 | 0 | 111 | P159 F164 C165 Q166 A209 P212 | P159-L162 PolarHBondContact O-N 2.93Å; L162-F164 VanDerWaalsContact C-N 3.28Å; L162-F164 PolarHBondContact O-N 2.92Å; L162-C165 PolarHBondContact O-N 3.38Å; L162-C165 VanDerWaalsContact O-N 3.14Å; L162-Q166 PolarHBondContact O-N 3.48Å; L162-A209 HydrophobicContact CD1-CB 3.66Å; L162-P212 HydrophobicContact CD1-CB 3.98Å; L162-P212 HydrophobicContact CD1-CG 4.05Å; L162-P212 HydrophobicContact CD2-CB 4.31Å; L162-P212 HydrophobicContact CD2-CG 4.27Å; L162-P212 HydrophobicContact CG-CB 4.47Å |
| 163 | L | 92.1 | Very high | 90.9 | Very high | 65 Ų | 65 | 34.5 Ų | 34.5 | 34% | 0.34 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.6 | -41.8 | 175.4 | -179.7 | 61.9 | 0 | 0 | 0 | 111.4 | L129 P159 C165 Q166 Q167 | L129-L163 HydrophobicContact CD1-CD2 4.38Å; L129-L163 HydrophobicContact CD1-CG 4.27Å; L129-L163 HydrophobicContact CD2-CD2 4.45Å; P159-L163 PolarHBondContact O-N 2.89Å; L163-C165 PolarHBondContact O-N 2.94Å; L163-Q166 PolarHBondContact O-N 2.79Å; L163-Q167 HydrophobicContact CD1-CG 4.05Å; L163-Q167 HydrophobicContact CG-CG 4.32Å; L163-Q167 WeakPolarHBondContact O-CG 3.38Å; L163-Q167 PolarHBondContact O-N 2.85Å |
| 164 | F | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 175.9 | -174.8 | -110.2 | 0 | 0 | 0 | 112.2 | V128 L129 V132 V144 L148 P156 H160 R161 L162 Q166 Q167 L168 L198 L202 | V128-F164 HydrophobicContact CB-CE2 4.39Å; V128-F164 HydrophobicContact CG2-CE2 4.22Å; L129-F164 HydrophobicContact CB-CD2 4.43Å; L129-F164 HydrophobicContact CD1-CB 4.05Å; L129-F164 HydrophobicContact CD1-CD2 4.08Å; V132-F164 HydrophobicContact CB-CD2 4.27Å; V132-F164 HydrophobicContact CB-CE2 3.92Å; V132-F164 HydrophobicContact CG1-CE2 4.43Å; V132-F164 HydrophobicContact CG2-CD2 4.36Å; V132-F164 HydrophobicContact CG2-CE2 3.54Å; V132-F164 HydrophobicContact CG2-CZ 4.15Å; V144-F164 HydrophobicContact CG1-CZ 4.16Å; L148-F164 HydrophobicContact CD1-CE1 3.55Å; L148-F164 HydrophobicContact CD1-CZ 3.41Å; L148-F164 VanDerWaalsContact CD1-CZ 3.41Å; P156-F164 HydrophobicContact CG-CB 4.06Å; P156-F164 HydrophobicContact CG-CD1 4.33Å; P156-F164 HydrophobicContact CG-CD2 4.02Å; P156-F164 HydrophobicContact CG-CG 3.89Å; H160-F164 VanDerWaalsContact O-CB 3.23Å; H160-F164 WeakPolarHBondContact O-CB 3.12Å; H160-F164 PolarHBondContact O-N 2.91Å; R161-F164 PolarHBondContact O-N 3.45Å; L162-F164 VanDerWaalsContact C-N 3.28Å; L162-F164 PolarHBondContact O-N 2.92Å; F164-Q166 PolarHBondContact O-N 3.28Å; F164-Q167 PolarHBondContact O-N 3.43Å; F164-L168 HydrophobicContact CD1-CD1 4.03Å; F164-L168 HydrophobicContact CE1-CD1 3.67Å; F164-L168 HydrophobicContact CE1-CG 4.26Å; F164-L168 HydrophobicContact CZ-CD1 4.16Å; F164-L168 HydrophobicContact CZ-CD2 4.34Å; F164-L168 HydrophobicContact CZ-CG 4.36Å; F164-L168 WeakPolarHBondContact O-CG 3.41Å; F164-L168 PolarHBondContact O-N 2.99Å; F164-L198 HydrophobicContact CE1-CD2 4.16Å; F164-L198 HydrophobicContact CZ-CD2 4.47Å; F164-L202 HydrophobicContact CD1-CD1 3.86Å; F164-L202 HydrophobicContact CE1-CD1 3.9Å |
| 165 | C | 93.9 | Very high | 91 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -42.5 | 177.7 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | R161 L162 L163 L168 V169 L199 C213 | R161-C165 PolarHBondContact O-N 2.96Å; R161-C165 VanDerWaalsContact O-N 3.1Å; R161-C165 PolarHBondContact O-SG 3.09Å; L162-C165 PolarHBondContact O-N 3.38Å; L162-C165 VanDerWaalsContact O-N 3.14Å; L163-C165 PolarHBondContact O-N 2.94Å; C165-L168 PolarHBondContact O-N 2.65Å; C165-V169 PolarHBondContact O-N 3.21Å; C165-L199 HydrophobicContact CB-CD1 3.64Å; C165-C213 WeakPolarHBondContact CB-SG 3.14Å |
| 166 | Q | 93.8 | Very high | 90.9 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 176.2 | -69.7 | 176.5 | -52.6 | 0 | 0 | 112.4 | L162 L163 F164 V169 R170 P212 E216 | L162-Q166 PolarHBondContact O-N 3.48Å; L163-Q166 PolarHBondContact O-N 2.79Å; F164-Q166 PolarHBondContact O-N 3.28Å; Q166-V169 PolarHBondContact O-N 3.07Å; Q166-R170 PolarHBondContact O-N 3.19Å; Q166-R170 VanDerWaalsContact O-N 3.1Å; Q166-P212 PolarHBondContact NE2-O 2.95Å; Q166-P212 VanDerWaalsContact NE2-O 3.13Å; Q166-E216 HydrophobicContact CB-CB 4.45Å; Q166-E216 HydrophobicContact CB-CG 4.08Å; Q166-E216 HydrophobicContact CG-CB 4.24Å; Q166-E216 HydrophobicContact CG-CG 4.4Å |
| 167 | Q | 93.8 | Very high | 90.5 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.5 | -30.3 | 176.9 | -60.2 | -74.7 | 17.1 | 0 | 0 | 112.1 | V132 L163 F164 R170 C171 | V132-Q167 HydrophobicContact CG1-CB 3.77Å; L163-Q167 HydrophobicContact CD1-CG 4.05Å; L163-Q167 HydrophobicContact CG-CG 4.32Å; L163-Q167 WeakPolarHBondContact O-CG 3.38Å; L163-Q167 PolarHBondContact O-N 2.85Å; F164-Q167 PolarHBondContact O-N 3.43Å; Q167-R170 PolarHBondContact O-N 2.74Å; Q167-C171 PolarHBondContact O-N 2.91Å; Q167-C171 PolarHBondContact O-SG 3.45Å |
| 168 | L | 94.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 170.1 | -73.7 | 176.5 | 0 | 0 | 0 | 112.1 | V132 F164 C165 C171 L172 V195 L198 L202 | V132-L168 HydrophobicContact CG1-CD2 3.79Å; V132-L168 HydrophobicContact CG1-CG 4.11Å; V132-L168 HydrophobicContact CG2-CD2 3.95Å; F164-L168 HydrophobicContact CD1-CD1 4.03Å; F164-L168 HydrophobicContact CE1-CD1 3.67Å; F164-L168 HydrophobicContact CE1-CG 4.26Å; F164-L168 HydrophobicContact CZ-CD1 4.16Å; F164-L168 HydrophobicContact CZ-CD2 4.34Å; F164-L168 HydrophobicContact CZ-CG 4.36Å; F164-L168 WeakPolarHBondContact O-CG 3.41Å; F164-L168 PolarHBondContact O-N 2.99Å; C165-L168 PolarHBondContact O-N 2.65Å; L168-C171 PolarHBondContact O-N 3.27Å; L168-L172 PolarHBondContact O-N 3.33Å; L168-V195 HydrophobicContact CD2-CG1 4.16Å; L168-L198 HydrophobicContact CD1-CD2 4.03Å; L168-L202 HydrophobicContact CD1-CD1 4.22Å |
| 169 | V | 94.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -45.8 | 173.7 | 174 | 0 | 0 | 0 | 0 | 110.8 | C165 Q166 C171 L172 G173 L199 C213 E216 L217 L233 | C165-V169 PolarHBondContact O-N 3.21Å; Q166-V169 PolarHBondContact O-N 3.07Å; V169-C171 VanDerWaalsContact C-N 3.3Å; V169-C171 PolarHBondContact O-N 3.3Å; V169-L172 PolarHBondContact O-N 2.87Å; V169-G173 PolarHBondContact O-N 3.22Å; V169-L199 HydrophobicContact CG2-CD2 3.75Å; V169-C213 HydrophobicContact CG2-CB 4.38Å; V169-E216 HydrophobicContact CG1-CG 4.42Å; V169-L217 HydrophobicContact CG1-CB 3.94Å; V169-L233 HydrophobicContact CG1-CD2 4.03Å; V169-L233 WeakPolarHBondContact O-CD2 3.49Å |
| 170 | R | 92.8 | Very high | 88.4 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 26% | 0.264 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -33.8 | 175 | -70.4 | 170.6 | 174.1 | 155.6 | 6.5 | 113.5 | Q166 Q167 R174 E216 V220 | Q166-R170 PolarHBondContact O-N 3.19Å; Q166-R170 VanDerWaalsContact O-N 3.1Å; Q167-R170 PolarHBondContact O-N 2.74Å; R170-R174 PolarHBondContact O-N 3.26Å; R170-E216 HydrophobicContact CG-CG 4.2Å; R170-E216 VanDerWaalsContact CZ-CD 3.43Å; R170-E216 IonicContact CZ-OE1 3.56Å; R170-E216 IonicContact CZ-OE2 3.95Å; R170-E216 IonicContact NE-OE1 2.67Å; R170-E216 PolarHBondContact NE-OE1 3.5Å; R170-E216 IonicContact NE-OE2 3.24Å; R170-E216 IonicContact NH2-OE1 3.68Å; R170-E216 PolarHBondContact NH2-OE1 2.73Å; R170-E216 IonicContact NH2-OE2 3.72Å; R170-E216 PolarHBondContact NH2-OE2 2.97Å; R170-V220 HydrophobicContact CG-CG2 4.28Å |
| 171 | C | 93.1 | Very high | 87.8 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.9 | -50.7 | 173.8 | -68 | 0 | 0 | 0 | 0 | 110.8 | V132 Q167 L168 V169 G173 R174 F175 | V132-C171 PolarHBondContact O-SG 2.73Å; V132-C171 VanDerWaalsContact O-SG 3.36Å; Q167-C171 PolarHBondContact O-N 2.91Å; Q167-C171 PolarHBondContact O-SG 3.45Å; L168-C171 PolarHBondContact O-N 3.27Å; V169-C171 VanDerWaalsContact C-N 3.3Å; V169-C171 PolarHBondContact O-N 3.3Å; C171-G173 PolarHBondContact O-N 3.21Å; C171-R174 CarbonylContact O-C 3.59Å; C171-R174 WeakPolarHBondContact O-CA 3.49Å; C171-R174 PolarHBondContact O-N 2.96Å; C171-F175 HydrophobicContact CB-CE1 4.02Å; C171-F175 WeakPolarHBondContact O-CD1 2.89Å; C171-F175 WeakPolarHBondContact O-CE1 3.47Å; C171-F175 PolarHBondContact O-N 3.32Å |
| 172 | L | 93.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.9 | -41.5 | 174.9 | -79 | 161.7 | 0 | 0 | 0 | 111.6 | L168 V169 R174 F175 A192 V195 S230 A232 L233 V236 | L168-L172 PolarHBondContact O-N 3.33Å; V169-L172 PolarHBondContact O-N 2.87Å; L172-R174 PolarHBondContact O-N 3.33Å; L172-R174 VanDerWaalsContact O-N 3.17Å; L172-F175 HydrophobicContact CD2-CD2 3.79Å; L172-F175 HydrophobicContact CD2-CE2 3.55Å; L172-F175 HydrophobicContact CD2-CZ 4.29Å; L172-F175 HydrophobicContact CG-CE2 4.23Å; L172-F175 WeakPolarHBondContact O-CB 3.46Å; L172-F175 PolarHBondContact O-N 3.31Å; L172-A192 HydrophobicContact CD2-CB 4.43Å; L172-V195 HydrophobicContact CD1-CG1 4.01Å; L172-V195 HydrophobicContact CD2-CB 4.27Å; L172-V195 HydrophobicContact CD2-CG1 4.11Å; L172-V195 HydrophobicContact CG-CG1 3.9Å; L172-S230 VanDerWaalsContact O-CB 3.25Å; L172-S230 WeakPolarHBondContact O-CB 3.49Å; L172-A232 HydrophobicContact CD2-CB 4.32Å; L172-L233 HydrophobicContact CB-CD2 4.05Å; L172-V236 HydrophobicContact CD1-CG2 3.63Å |
| 173 | G | 91.7 | Very high | 86.9 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V169 C171 P229 S230 | V169-G173 PolarHBondContact O-N 3.22Å; C171-G173 PolarHBondContact O-N 3.21Å; G173-P229 CarbonylContact O-C 3.56Å; G173-P229 WeakPolarHBondContact O-CA 3.26Å; G173-S230 PolarHBondContact O-N 2.9Å |
| 174 | R | 90.4 | Very high | 86.6 | Confident | 136 Ų | 136 | 58.3 Ų | 58.3 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 4.7 | 178.5 | -69.6 | -177.8 | 169.4 | -126.9 | -12 | 113.8 | R170 C171 L172 R176 E225 | R170-R174 PolarHBondContact O-N 3.26Å; C171-R174 CarbonylContact O-C 3.59Å; C171-R174 WeakPolarHBondContact O-CA 3.49Å; C171-R174 PolarHBondContact O-N 2.96Å; L172-R174 PolarHBondContact O-N 3.33Å; L172-R174 VanDerWaalsContact O-N 3.17Å; R174-R176 PolarHBondContact O-N 3.43Å; R174-E225 IonicContact NH2-OE2 3.24Å |
| 175 | F | 91.8 | Very high | 86.2 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | trans | -69.2 | 120.8 | 178.9 | -78.6 | 8.3 | 0 | 0 | 0 | 111.7 | P138 C141 C171 L172 F188 A192 V195 S230 A232 | P138-F175 HydrophobicContact CB-CD1 4.34Å; P138-F175 HydrophobicContact CB-CD2 4.05Å; P138-F175 HydrophobicContact CB-CE1 4.46Å; P138-F175 HydrophobicContact CB-CE2 4.17Å; P138-F175 HydrophobicContact CB-CG 4.17Å; P138-F175 HydrophobicContact CB-CZ 4.41Å; P138-F175 HydrophobicContact CG-CB 3.94Å; P138-F175 HydrophobicContact CG-CD1 3.78Å; P138-F175 HydrophobicContact CG-CD2 4.04Å; P138-F175 HydrophobicContact CG-CE1 4.31Å; P138-F175 HydrophobicContact CG-CG 3.66Å; C141-F175 HydrophobicContact CB-CE1 4.11Å; C141-F175 HydrophobicContact CB-CZ 3.58Å; C171-F175 HydrophobicContact CB-CE1 4.02Å; C171-F175 WeakPolarHBondContact O-CD1 2.89Å; C171-F175 WeakPolarHBondContact O-CE1 3.47Å; C171-F175 PolarHBondContact O-N 3.32Å; L172-F175 HydrophobicContact CD2-CD2 3.79Å; L172-F175 HydrophobicContact CD2-CE2 3.55Å; L172-F175 HydrophobicContact CD2-CZ 4.29Å; L172-F175 HydrophobicContact CG-CE2 4.23Å; L172-F175 WeakPolarHBondContact O-CB 3.46Å; L172-F175 PolarHBondContact O-N 3.31Å; F175-F188 HydrophobicContact CB-CE2 3.82Å; F175-F188 HydrophobicContact CB-CZ 3.94Å; F175-A192 HydrophobicContact CD2-CB 4.44Å; F175-V195 HydrophobicContact CE2-CB 4.42Å; F175-V195 HydrophobicContact CE2-CG2 4.22Å; F175-V195 HydrophobicContact CZ-CG1 4.38Å; F175-V195 HydrophobicContact CZ-CG2 4.14Å; F175-S230 WeakPolarHBondContact O-CB 3.18Å; F175-S230 PolarHBondContact O-OG 3.05Å; F175-A232 HydrophobicContact CB-CB 4.13Å; F175-A232 HydrophobicContact CD2-CB 4.3Å | ||
| 176 | R | 88.3 | Confident | 86 | Confident | 102 Ų | 102 | 64.1 Ų | 64.1 | 39% | 0.385 | 34% | 0.342 | S | S | . | . | trans | -110.6 | 145.5 | 170.3 | -54.1 | -60.8 | -177 | -152.5 | 0.1 | 109.4 | R174 P178 F188 E227 P228 | R174-R176 PolarHBondContact O-N 3.43Å; R176-P178 WeakPolarHBondContact O-CD 3.33Å; R176-F188 VanDerWaalsContact O-CE2 3.25Å; R176-F188 WeakPolarHBondContact O-CE2 3.26Å; R176-E227 IonicContact CZ-OE2 3.22Å; R176-E227 IonicContact NE-OE2 2.67Å; R176-E227 PolarHBondContact NE-OE2 2.89Å; R176-E227 IonicContact NH2-OE2 3.52Å; R176-E227 PolarHBondContact NH2-OE2 3.28Å; R176-P228 VanDerWaalsContact CZ-O 3.31Å; R176-P228 PolarHBondContact NH1-O 2.86Å; R176-P228 PolarHBondContact NH2-O 3.39Å | ||
| 177 | C | 82.9 | Confident | 85.8 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 41% | 0.405 | 36% | 0.356 | S | S | . | . | trans | -72 | 121.3 | 172.6 | -171 | 0 | 0 | 0 | 0 | 108.6 | F188 | C177-F188 HydrophobicContact CB-CD1 4.3Å; C177-F188 HydrophobicContact CB-CD2 4.21Å; C177-F188 HydrophobicContact CB-CG 4.09Å | ||
| 178 | P | 70.2 | Confident | 85.7 | Confident | 106 Ų | 106 | 67.1 Ų | 67.1 | 69% | 0.688 | 36% | 0.355 | S | S | * | . | trans | -90.9 | -0.8 | -168.6 | 36.5 | -37.4 | 0 | 0 | 0 | 114.3 | R176 | R176-P178 WeakPolarHBondContact O-CD 3.33Š| ||
| 179 | A | 69.2 | Low | 85.6 | Confident | 52 Ų | 52 | 68.9 Ų | 68.9 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -139.5 | 141.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 180 | E | 65.6 | Low | 85.4 | Confident | 209 Ų | 209 | 74 Ų | 74 | 98% | 0.977 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -89 | 110.5 | 174.3 | -62.6 | -178.5 | 161.2 | 0 | 0 | 109 | ||
| 181 | G | 76.3 | Confident | 85.4 | Confident | 49 Ų | 49 | 71.1 Ų | 71.1 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 141.1 | 162.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E183 G184 A185 | G181-E183 PolarHBondContact O-N 3.44Å; G181-G184 PolarHBondContact O-N 3Å; G181-A185 PolarHBondContact O-N 3.26Å; G181-A185 VanDerWaalsContact O-N 3.12Å |
| 182 | E | 80.8 | Confident | 85.4 | Confident | 172 Ų | 172 | 71 Ų | 71 | 80% | 0.804 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.1 | -44.1 | -174.1 | -61.2 | -174 | 158.4 | 0 | 0 | 112.7 | G184 A185 V186 | E182-G184 VanDerWaalsContact C-N 3.28Å; E182-G184 PolarHBondContact O-N 3.34Å; E182-A185 PolarHBondContact O-N 3.02Å; E182-V186 WeakPolarHBondContact O-CG2 3.37Å; E182-V186 PolarHBondContact O-N 3.5Å |
| 183 | E | 82.2 | Confident | 85.3 | Confident | 177 Ų | 177 | 73.5 Ų | 73.5 | 83% | 0.827 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -58.3 | -40.7 | 177.7 | -62 | -170.6 | 156.8 | 0 | 0 | 112 | G181 V186 E187 | G181-E183 PolarHBondContact O-N 3.44Å; E183-V186 PolarHBondContact O-N 2.92Å; E183-E187 PolarHBondContact O-N 3.31Å |
| 184 | G | 85.6 | Confident | 85.4 | Confident | 15 Ų | 15 | 75.8 Ų | 75.8 | 16% | 0.155 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.8 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G181 E182 F188 | G181-G184 PolarHBondContact O-N 3Å; E182-G184 VanDerWaalsContact C-N 3.28Å; E182-G184 PolarHBondContact O-N 3.34Å; G184-F188 VanDerWaalsContact O-CB 3.31Å; G184-F188 WeakPolarHBondContact O-CB 3.48Å; G184-F188 PolarHBondContact O-N 2.89Å |
| 185 | A | 86 | Confident | 85.6 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 34% | 0.339 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | G181 E182 F188 L189 | G181-A185 PolarHBondContact O-N 3.26Å; G181-A185 VanDerWaalsContact O-N 3.12Å; E182-A185 PolarHBondContact O-N 3.02Å; A185-F188 PolarHBondContact O-N 3.32Å; A185-L189 VanDerWaalsContact O-CG 3.29Å; A185-L189 WeakPolarHBondContact O-CG 3.4Å; A185-L189 PolarHBondContact O-N 2.69Å |
| 186 | V | 88.6 | Confident | 85.7 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 175.4 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | E182 E183 F188 L189 E190 | E182-V186 WeakPolarHBondContact O-CG2 3.37Å; E182-V186 PolarHBondContact O-N 3.5Å; E183-V186 PolarHBondContact O-N 2.92Å; V186-F188 VanDerWaalsContact C-N 3.3Å; V186-F188 PolarHBondContact O-N 2.96Å; V186-L189 PolarHBondContact O-N 3.22Å; V186-E190 PolarHBondContact O-N 3.42Å |
| 187 | E | 89.4 | Confident | 86 | Confident | 106 Ų | 106 | 65.2 Ų | 65.2 | 50% | 0.495 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 177.4 | -152.9 | -158.1 | 166.5 | 0 | 0 | 111.3 | E183 E190 Q191 | E183-E187 PolarHBondContact O-N 3.31Å; E187-E190 PolarHBondContact O-N 3.32Å; E187-Q191 WeakPolarHBondContact O-CB 3.24Å; E187-Q191 WeakPolarHBondContact O-CG 3.38Å; E187-Q191 PolarHBondContact O-N 3.29Å; E187-Q191 PolarHBondContact OE1-NE2 3.12Å |
| 188 | F | 92.3 | Very high | 86.5 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 9% | 0.088 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.7 | 178.1 | -100.4 | 0 | 0 | 0 | 112.7 | P138 F175 R176 C177 G184 A185 V186 Q191 A192 A232 W276 | P138-F188 HydrophobicContact CB-CD2 4.39Å; P138-F188 HydrophobicContact CB-CE2 4.5Å; P138-F188 HydrophobicContact CG-CD2 4.2Å; P138-F188 HydrophobicContact CG-CE2 3.97Å; F175-F188 HydrophobicContact CB-CE2 3.82Å; F175-F188 HydrophobicContact CB-CZ 3.94Å; R176-F188 VanDerWaalsContact O-CE2 3.25Å; R176-F188 WeakPolarHBondContact O-CE2 3.26Å; C177-F188 HydrophobicContact CB-CD1 4.3Å; C177-F188 HydrophobicContact CB-CD2 4.21Å; C177-F188 HydrophobicContact CB-CG 4.09Å; G184-F188 VanDerWaalsContact O-CB 3.31Å; G184-F188 WeakPolarHBondContact O-CB 3.48Å; G184-F188 PolarHBondContact O-N 2.89Å; A185-F188 PolarHBondContact O-N 3.32Å; V186-F188 VanDerWaalsContact C-N 3.3Å; V186-F188 PolarHBondContact O-N 2.96Å; F188-Q191 PolarHBondContact O-N 3.25Å; F188-A192 WeakPolarHBondContact O-CB 3.36Å; F188-A192 PolarHBondContact O-N 3Å; F188-A232 HydrophobicContact CZ-CB 4.34Å; F188-W276 HydrophobicContact CE1-CH2 4.16Å; F188-W276 HydrophobicContact CE1-CZ3 4.08Å |
| 189 | L | 91.6 | Very high | 87.7 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 20% | 0.199 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 176 | -72.3 | 172.7 | 0 | 0 | 0 | 111.6 | A185 V186 A192 Q193 W276 P277 L278 | A185-L189 VanDerWaalsContact O-CG 3.29Å; A185-L189 WeakPolarHBondContact O-CG 3.4Å; A185-L189 PolarHBondContact O-N 2.69Å; V186-L189 PolarHBondContact O-N 3.22Å; L189-A192 PolarHBondContact O-N 2.83Å; L189-Q193 WeakPolarHBondContact O-CB 3.5Å; L189-Q193 PolarHBondContact O-N 3.43Å; L189-W276 HydrophobicContact CD2-CD2 4.38Å; L189-W276 HydrophobicContact CD2-CE3 4.2Å; L189-W276 HydrophobicContact CD2-CH2 3.54Å; L189-W276 HydrophobicContact CD2-CZ2 3.72Å; L189-W276 HydrophobicContact CD2-CZ3 3.8Å; L189-P277 HydrophobicContact CD1-CG 4.35Å; L189-L278 HydrophobicContact CB-CD1 4.18Å |
| 190 | E | 91 | Very high | 88.8 | Confident | 109 Ų | 109 | 55.4 Ų | 55.4 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 174.4 | -78.9 | -158.3 | 178 | 0 | 0 | 112.4 | V186 E187 Q193 Q194 | V186-E190 PolarHBondContact O-N 3.42Å; E187-E190 PolarHBondContact O-N 3.32Å; E190-Q193 PolarHBondContact O-N 3.09Å; E190-Q194 WeakPolarHBondContact O-CB 3.47Å; E190-Q194 VanDerWaalsContact O-CG 3.23Å; E190-Q194 WeakPolarHBondContact O-CG 3.34Å; E190-Q194 PolarHBondContact O-N 2.78Å; E190-Q194 PolarHBondContact O-NE2 2.91Å |
| 191 | Q | 92.3 | Very high | 90.1 | Very high | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | -179.9 | -73.1 | 172.4 | 14.5 | 0 | 0 | 111.1 | P138 A142 E187 F188 Q194 V195 | P138-Q191 VanDerWaalsContact C-OE1 3.3Å; P138-Q191 HydrophobicContact CB-CB 4.32Å; A142-Q191 HydrophobicContact CB-CB 3.84Å; A142-Q191 HydrophobicContact CB-CG 3.84Å; E187-Q191 WeakPolarHBondContact O-CB 3.24Å; E187-Q191 WeakPolarHBondContact O-CG 3.38Å; E187-Q191 PolarHBondContact O-N 3.29Å; E187-Q191 PolarHBondContact OE1-NE2 3.12Å; F188-Q191 PolarHBondContact O-N 3.25Å; Q191-Q194 PolarHBondContact O-N 3.1Å; Q191-V195 WeakPolarHBondContact O-CG2 3.23Å; Q191-V195 PolarHBondContact O-N 3.05Å |
| 192 | A | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | L172 F175 F188 L189 Q194 V195 S196 A232 W276 | L172-A192 HydrophobicContact CD2-CB 4.43Å; F175-A192 HydrophobicContact CD2-CB 4.44Å; F188-A192 WeakPolarHBondContact O-CB 3.36Å; F188-A192 PolarHBondContact O-N 3Å; L189-A192 PolarHBondContact O-N 2.83Å; A192-Q194 VanDerWaalsContact C-N 3.31Å; A192-Q194 PolarHBondContact O-N 3.5Å; A192-V195 PolarHBondContact O-N 3.26Å; A192-S196 PolarHBondContact O-N 3.03Å; A192-S196 PolarHBondContact O-OG 3.48Å; A192-A232 HydrophobicContact CB-CB 4.22Å; A192-W276 HydrophobicContact CB-CH2 3.77Å; A192-W276 HydrophobicContact CB-CZ2 3.87Å |
| 193 | Q | 92.8 | Very high | 91.3 | Very high | 53 Ų | 53 | 40.4 Ų | 40.4 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.8 | -33 | 179.5 | -165.8 | 68.5 | 2.6 | 0 | 0 | 112.7 | L189 E190 S196 G197 H239 L278 | L189-Q193 WeakPolarHBondContact O-CB 3.5Å; L189-Q193 PolarHBondContact O-N 3.43Å; E190-Q193 PolarHBondContact O-N 3.09Å; Q193-S196 PolarHBondContact O-OG 3.38Å; Q193-G197 WeakPolarHBondContact O-CA 3.36Å; Q193-G197 PolarHBondContact O-N 3.26Å; Q193-H239 PolarHBondContact NE2-CE1 3.04Å; Q193-L278 HydrophobicContact CB-CD1 4.07Å; Q193-L278 HydrophobicContact CG-CD1 4.21Å |
| 194 | Q | 93 | Very high | 91.7 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 24% | 0.238 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.8 | -37.2 | 174.9 | -73 | 167.4 | 50.2 | 0 | 0 | 112.1 | A142 A145 E190 Q191 A192 L198 | A142-Q194 HydrophobicContact CB-CB 4.45Å; A145-Q194 WeakPolarHBondContact CB-O 3.13Å; E190-Q194 WeakPolarHBondContact O-CB 3.47Å; E190-Q194 VanDerWaalsContact O-CG 3.23Å; E190-Q194 WeakPolarHBondContact O-CG 3.34Å; E190-Q194 PolarHBondContact O-N 2.78Å; E190-Q194 PolarHBondContact O-NE2 2.91Å; Q191-Q194 PolarHBondContact O-N 3.1Å; A192-Q194 VanDerWaalsContact C-N 3.31Å; A192-Q194 PolarHBondContact O-N 3.5Å; Q194-L198 PolarHBondContact O-N 2.83Å; Q194-L198 VanDerWaalsContact O-N 3.11Å |
| 195 | V | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -73.5 | -44.7 | 179.1 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | C141 A142 A145 L168 L172 F175 Q191 A192 G197 L198 L199 | C141-V195 HydrophobicContact CB-CG2 3.61Å; A142-V195 HydrophobicContact CB-CG2 4.4Å; A145-V195 HydrophobicContact CB-CG2 4.44Å; L168-V195 HydrophobicContact CD2-CG1 4.16Å; L172-V195 HydrophobicContact CD1-CG1 4.01Å; L172-V195 HydrophobicContact CD2-CB 4.27Å; L172-V195 HydrophobicContact CD2-CG1 4.11Å; L172-V195 HydrophobicContact CG-CG1 3.9Å; F175-V195 HydrophobicContact CE2-CB 4.42Å; F175-V195 HydrophobicContact CE2-CG2 4.22Å; F175-V195 HydrophobicContact CZ-CG1 4.38Å; F175-V195 HydrophobicContact CZ-CG2 4.14Å; Q191-V195 WeakPolarHBondContact O-CG2 3.23Å; Q191-V195 PolarHBondContact O-N 3.05Å; A192-V195 PolarHBondContact O-N 3.26Å; V195-G197 VanDerWaalsContact C-N 3.35Å; V195-L198 PolarHBondContact O-N 2.89Å; V195-L199 PolarHBondContact O-N 3.31Å; V195-L199 VanDerWaalsContact O-N 3.13Å |
| 196 | S | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.2 | -34.5 | 174 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | A192 Q193 L198 L199 A200 S235 H239 | A192-S196 PolarHBondContact O-N 3.03Å; A192-S196 PolarHBondContact O-OG 3.48Å; Q193-S196 PolarHBondContact O-OG 3.38Å; S196-L198 PolarHBondContact O-N 2.86Å; S196-L199 WeakPolarHBondContact O-CB 3.33Å; S196-L199 PolarHBondContact O-N 3.46Å; S196-L199 VanDerWaalsContact O-N 3.16Å; S196-A200 PolarHBondContact O-N 2.92Å; S196-S235 WeakPolarHBondContact CB-O 3.43Å; S196-S235 WeakPolarHBondContact CB-OG 3.49Å; S196-S235 PolarHBondContact OG-O 3.28Å; S196-S235 PolarHBondContact OG-OG 3.08Å; S196-H239 VanDerWaalsContact C-NE2 3.26Å; S196-H239 WeakPolarHBondContact CB-NE2 3.4Å; S196-H239 PolarHBondContact O-CD2 2.88Å; S196-H239 PolarHBondContact OG-NE2 3.24Å |
| 197 | G | 94 | Very high | 91.8 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 22% | 0.216 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q193 V195 A200 Q201 H239 | Q193-G197 WeakPolarHBondContact O-CA 3.36Å; Q193-G197 PolarHBondContact O-N 3.26Å; V195-G197 VanDerWaalsContact C-N 3.35Å; G197-A200 PolarHBondContact O-N 2.81Å; G197-Q201 WeakPolarHBondContact O-CG 3.4Å; G197-Q201 PolarHBondContact O-N 2.92Å; G197-Q201 VanDerWaalsContact O-N 3.11Å; G197-H239 PolarHBondContact N-NE2 3Å |
| 198 | L | 94.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 169.9 | 170.6 | 66.9 | 0 | 0 | 0 | 111.2 | A145 L148 F164 L168 Q194 V195 S196 A200 Q201 L202 | A145-L198 HydrophobicContact CB-CB 3.95Å; A145-L198 HydrophobicContact CB-CD2 4.11Å; L148-L198 HydrophobicContact CB-CD1 3.95Å; L148-L198 HydrophobicContact CB-CD2 4.3Å; L148-L198 HydrophobicContact CD1-CD2 3.81Å; F164-L198 HydrophobicContact CE1-CD2 4.16Å; F164-L198 HydrophobicContact CZ-CD2 4.47Å; L168-L198 HydrophobicContact CD1-CD2 4.03Å; Q194-L198 PolarHBondContact O-N 2.83Å; Q194-L198 VanDerWaalsContact O-N 3.11Å; V195-L198 PolarHBondContact O-N 2.89Å; S196-L198 PolarHBondContact O-N 2.86Å; L198-A200 PolarHBondContact O-N 2.73Å; L198-Q201 WeakPolarHBondContact O-CA 3.44Å; L198-Q201 WeakPolarHBondContact O-CB 3.42Å; L198-Q201 PolarHBondContact O-N 3.4Å; L198-L202 HydrophobicContact CD1-CD1 4.19Å; L198-L202 HydrophobicContact CD1-CD2 4.4Å; L198-L202 HydrophobicContact CD1-CG 4.06Å; L198-L202 HydrophobicContact CD2-CD1 4.45Å; L198-L202 HydrophobicContact CG-CD1 4.01Å; L198-L202 HydrophobicContact CG-CG 4.3Å; L198-L202 WeakPolarHBondContact O-CG 3.33Å; L198-L202 PolarHBondContact O-N 2.82Å |
| 199 | L | 94.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.2 | -41.1 | 179.8 | -176.3 | 61.9 | 0 | 0 | 0 | 111.3 | C165 V169 V195 S196 Q201 L202 W203 V236 | C165-L199 HydrophobicContact CB-CD1 3.64Å; V169-L199 HydrophobicContact CG2-CD2 3.75Å; V195-L199 PolarHBondContact O-N 3.31Å; V195-L199 VanDerWaalsContact O-N 3.13Å; S196-L199 WeakPolarHBondContact O-CB 3.33Å; S196-L199 PolarHBondContact O-N 3.46Å; S196-L199 VanDerWaalsContact O-N 3.16Å; L199-Q201 PolarHBondContact O-N 2.61Å; L199-L202 PolarHBondContact O-N 3.44Å; L199-W203 HydrophobicContact CD1-CZ2 4.15Å; L199-W203 HydrophobicContact CD2-CH2 4Å; L199-W203 HydrophobicContact CD2-CZ2 3.73Å; L199-W203 HydrophobicContact CG-CD2 4.18Å; L199-W203 HydrophobicContact CG-CH2 4.22Å; L199-W203 HydrophobicContact CG-CZ2 3.77Å; L199-W203 PolarHBondContact O-N 3.04Å; L199-V236 HydrophobicContact CD2-CG1 4Å; L199-V236 HydrophobicContact CD2-CG2 4.34Å |
| 200 | A | 92.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -28.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S196 G197 L198 R204 H239 | S196-A200 PolarHBondContact O-N 2.92Å; G197-A200 PolarHBondContact O-N 2.81Å; L198-A200 PolarHBondContact O-N 2.73Å; A200-R204 VanDerWaalsContact C-NH1 3.25Å; A200-R204 WeakPolarHBondContact O-CG 3.41Å; A200-R204 PolarHBondContact O-N 2.84Å; A200-R204 PolarHBondContact O-NH1 3.28Å; A200-H239 HydrophobicContact CB-CB 3.67Å |
| 201 | Q | 91.9 | Very high | 91.4 | Very high | 97 Ų | 97 | 40.9 Ų | 40.9 | 45% | 0.453 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.6 | -41.3 | 170.8 | -70.6 | 169.9 | 9.7 | 0 | 0 | 110.9 | G197 L198 L199 R204 A205 | G197-Q201 WeakPolarHBondContact O-CG 3.4Å; G197-Q201 PolarHBondContact O-N 2.92Å; G197-Q201 VanDerWaalsContact O-N 3.11Å; L198-Q201 WeakPolarHBondContact O-CA 3.44Å; L198-Q201 WeakPolarHBondContact O-CB 3.42Å; L198-Q201 PolarHBondContact O-N 3.4Å; L199-Q201 PolarHBondContact O-N 2.61Å; Q201-R204 PolarHBondContact O-N 2.58Å; Q201-A205 PolarHBondContact O-N 2.85Å; Q201-A205 VanDerWaalsContact O-N 3.16Å |
| 202 | L | 91.5 | Very high | 91.3 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 177.5 | -63.4 | 173.5 | 0 | 0 | 0 | 111.8 | V155 F164 L168 L198 L199 A205 Q206 | V155-L202 HydrophobicContact CG1-CD2 3.48Å; V155-L202 VanDerWaalsContact CG1-CD2 3.48Å; V155-L202 HydrophobicContact CG2-CD2 4.16Å; F164-L202 HydrophobicContact CD1-CD1 3.86Å; F164-L202 HydrophobicContact CE1-CD1 3.9Å; L168-L202 HydrophobicContact CD1-CD1 4.22Å; L198-L202 HydrophobicContact CD1-CD1 4.19Å; L198-L202 HydrophobicContact CD1-CD2 4.4Å; L198-L202 HydrophobicContact CD1-CG 4.06Å; L198-L202 HydrophobicContact CD2-CD1 4.45Å; L198-L202 HydrophobicContact CG-CD1 4.01Å; L198-L202 HydrophobicContact CG-CG 4.3Å; L198-L202 WeakPolarHBondContact O-CG 3.33Å; L198-L202 PolarHBondContact O-N 2.82Å; L199-L202 PolarHBondContact O-N 3.44Å; L202-A205 CarbonylContact O-C 3.34Å; L202-A205 PolarHBondContact O-N 2.61Å; L202-Q206 PolarHBondContact O-N 3.31Å |
| 203 | W | 92 | Very high | 91.2 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -37.7 | 174.1 | -69.6 | -19.8 | 0 | 0 | 0 | 113.5 | L199 A205 Q206 P207 I210 C213 V236 H239 L240 | L199-W203 HydrophobicContact CD1-CZ2 4.15Å; L199-W203 HydrophobicContact CD2-CH2 4Å; L199-W203 HydrophobicContact CD2-CZ2 3.73Å; L199-W203 HydrophobicContact CG-CD2 4.18Å; L199-W203 HydrophobicContact CG-CH2 4.22Å; L199-W203 HydrophobicContact CG-CZ2 3.77Å; L199-W203 PolarHBondContact O-N 3.04Å; W203-A205 VanDerWaalsContact C-N 3.25Å; W203-A205 PolarHBondContact O-N 2.78Å; W203-Q206 CarbonylContact O-C 3.48Å; W203-Q206 PolarHBondContact O-N 3.1Å; W203-P207 WeakPolarHBondContact O-CA 3.22Å; W203-P207 WeakPolarHBondContact O-CD 3.21Å; W203-I210 HydrophobicContact CB-CD1 4.26Å; W203-I210 HydrophobicContact CB-CG1 3.81Å; W203-I210 HydrophobicContact CD2-CG1 3.9Å; W203-I210 HydrophobicContact CE3-CG1 4.44Å; W203-I210 HydrophobicContact CG-CG1 3.62Å; W203-C213 HydrophobicContact CZ2-CB 3.7Å; W203-V236 HydrophobicContact CH2-CG1 3.48Å; W203-V236 VanDerWaalsContact CH2-CG1 3.48Å; W203-V236 HydrophobicContact CZ2-CG1 4.28Å; W203-V236 HydrophobicContact CZ3-CG1 4.27Å; W203-H239 HydrophobicContact CZ3-CB 4.3Å; W203-L240 HydrophobicContact CE3-CD2 4.34Å; W203-L240 HydrophobicContact CH2-CD2 3.64Å; W203-L240 HydrophobicContact CZ3-CD2 3.49Å; W203-L240 VanDerWaalsContact CZ3-CD2 3.49Å; W203-L240 HydrophobicContact CZ3-CG 4.34Å |
| 204 | R | 90.3 | Very high | 91.1 | Very high | 187 Ų | 187 | 40.7 Ų | 40.7 | 71% | 0.706 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.7 | -33.3 | 171.8 | -73.6 | 175.9 | -173.5 | 93.3 | -7.6 | 112.3 | A200 Q201 | A200-R204 VanDerWaalsContact C-NH1 3.25Å; A200-R204 WeakPolarHBondContact O-CG 3.41Å; A200-R204 PolarHBondContact O-N 2.84Å; A200-R204 PolarHBondContact O-NH1 3.28Å; Q201-R204 PolarHBondContact O-N 2.58Å |
| 205 | A | 88.4 | Confident | 90.9 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -81.4 | -20 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q201 L202 W203 | Q201-A205 PolarHBondContact O-N 2.85Å; Q201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 CarbonylContact O-C 3.34Å; L202-A205 PolarHBondContact O-N 2.61Å; W203-A205 VanDerWaalsContact C-N 3.25Å; W203-A205 PolarHBondContact O-N 2.78Å |
| 206 | Q | 87.3 | Confident | 90.8 | Very high | 63 Ų | 63 | 46.4 Ų | 46.4 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | trans | -151.7 | 82.9 | 177.7 | -171.4 | 179.8 | -1.5 | 0 | 0 | 110.9 | L202 W203 A208 A209 | L202-Q206 PolarHBondContact O-N 3.31Å; W203-Q206 CarbonylContact O-C 3.48Å; W203-Q206 PolarHBondContact O-N 3.1Å; Q206-A208 PolarHBondContact O-N 3.3Å; Q206-A208 VanDerWaalsContact O-N 3.15Å; Q206-A209 HydrophobicContact CG-CB 4.37Å; Q206-A209 WeakPolarHBondContact O-CB 3.22Å; Q206-A209 PolarHBondContact O-N 3.14Å | ||
| 207 | P | 87.3 | Confident | 90.8 | Very high | 87 Ų | 87 | 47 Ų | 47 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -59.3 | -29.3 | -177.3 | -28.3 | 36.6 | 0 | 0 | 0 | 114.1 | W203 A209 I210 | W203-P207 WeakPolarHBondContact O-CA 3.22Å; W203-P207 WeakPolarHBondContact O-CD 3.21Å; P207-A209 PolarHBondContact O-N 3.25Å; P207-I210 HydrophobicContact CB-CD1 4.36Å; P207-I210 WeakPolarHBondContact O-CB 3.05Å; P207-I210 VanDerWaalsContact O-CG1 3.28Å; P207-I210 WeakPolarHBondContact O-CG1 3.4Å; P207-I210 PolarHBondContact O-N 3.27Å |
| 208 | A | 87.3 | Confident | 90.6 | Very high | 79 Ų | 79 | 47.6 Ų | 47.6 | 65% | 0.653 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -58.8 | -16.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q206 I210 P212 | Q206-A208 PolarHBondContact O-N 3.3Å; Q206-A208 VanDerWaalsContact O-N 3.15Å; A208-I210 VanDerWaalsContact C-N 3.35Å; A208-P212 WeakPolarHBondContact O-CD 3.4Å |
| 209 | A | 88.8 | Confident | 90.4 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -80.3 | -10.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | L162 Q206 P207 C213 | L162-A209 HydrophobicContact CD1-CB 3.66Å; Q206-A209 HydrophobicContact CG-CB 4.37Å; Q206-A209 WeakPolarHBondContact O-CB 3.22Å; Q206-A209 PolarHBondContact O-N 3.14Å; P207-A209 PolarHBondContact O-N 3.25Å; A209-C213 WeakPolarHBondContact O-CB 3.41Å; A209-C213 PolarHBondContact O-N 3.04Å; A209-C213 PolarHBondContact O-SG 3.11Å |
| 210 | I | 90.5 | Very high | 90.3 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -57.3 | -177.9 | -63.5 | 166.5 | 0 | 0 | 0 | 110.7 | W203 P207 A208 C213 L214 L240 L244 | W203-I210 HydrophobicContact CB-CD1 4.26Å; W203-I210 HydrophobicContact CB-CG1 3.81Å; W203-I210 HydrophobicContact CD2-CG1 3.9Å; W203-I210 HydrophobicContact CE3-CG1 4.44Å; W203-I210 HydrophobicContact CG-CG1 3.62Å; P207-I210 HydrophobicContact CB-CD1 4.36Å; P207-I210 WeakPolarHBondContact O-CB 3.05Å; P207-I210 VanDerWaalsContact O-CG1 3.28Å; P207-I210 WeakPolarHBondContact O-CG1 3.4Å; P207-I210 PolarHBondContact O-N 3.27Å; A208-I210 VanDerWaalsContact C-N 3.35Å; I210-C213 CarbonylContact O-C 3.58Å; I210-C213 WeakPolarHBondContact O-CA 3.31Å; I210-C213 WeakPolarHBondContact O-CB 3.34Å; I210-C213 PolarHBondContact O-N 3.21Å; I210-L214 HydrophobicContact CG2-CD1 3.91Å; I210-L214 HydrophobicContact CG2-CG 4.19Å; I210-L214 PolarHBondContact O-N 3.42Å; I210-L240 HydrophobicContact CG2-CD2 4Å; I210-L244 HydrophobicContact CD1-CD1 4.33Å; I210-L244 HydrophobicContact CG2-CD1 3.95Å |
| 211 | L | 88.6 | Confident | 90.3 | Very high | 99 Ų | 99 | 50.8 Ų | 50.8 | 52% | 0.518 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | -174.3 | -65.2 | 174.9 | 0 | 0 | 0 | 113.8 | C213 L214 K215 V248 | L211-C213 VanDerWaalsContact C-N 3.29Å; L211-C213 PolarHBondContact O-N 3.42Å; L211-L214 HydrophobicContact CD2-CD1 4.41Å; L211-L214 PolarHBondContact O-N 2.98Å; L211-L214 VanDerWaalsContact O-N 3.17Å; L211-K215 PolarHBondContact O-N 3.48Å; L211-V248 HydrophobicContact CD2-CG2 3.99Å |
| 212 | P | 90.3 | Very high | 90.2 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.6 | -23.1 | 175.4 | -20 | 34 | 0 | 0 | 0 | 113.9 | L162 Q166 A208 E216 | L162-P212 HydrophobicContact CD1-CB 3.98Å; L162-P212 HydrophobicContact CD1-CG 4.05Å; L162-P212 HydrophobicContact CD2-CB 4.31Å; L162-P212 HydrophobicContact CD2-CG 4.27Å; L162-P212 HydrophobicContact CG-CB 4.47Å; Q166-P212 PolarHBondContact NE2-O 2.95Å; Q166-P212 VanDerWaalsContact NE2-O 3.13Å; A208-P212 WeakPolarHBondContact O-CD 3.4Å; P212-E216 WeakPolarHBondContact O-CB 3.5Å; P212-E216 PolarHBondContact O-N 2.96Å |
| 213 | C | 91.7 | Very high | 90 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -78.9 | -28.3 | 170.6 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | C165 V169 W203 A209 I210 L211 E216 L217 | C165-C213 WeakPolarHBondContact CB-SG 3.14Å; V169-C213 HydrophobicContact CG2-CB 4.38Å; W203-C213 HydrophobicContact CZ2-CB 3.7Å; A209-C213 WeakPolarHBondContact O-CB 3.41Å; A209-C213 PolarHBondContact O-N 3.04Å; A209-C213 PolarHBondContact O-SG 3.11Å; I210-C213 CarbonylContact O-C 3.58Å; I210-C213 WeakPolarHBondContact O-CA 3.31Å; I210-C213 WeakPolarHBondContact O-CB 3.34Å; I210-C213 PolarHBondContact O-N 3.21Å; L211-C213 VanDerWaalsContact C-N 3.29Å; L211-C213 PolarHBondContact O-N 3.42Å; C213-E216 PolarHBondContact O-N 3.18Å; C213-L217 WeakPolarHBondContact O-CB 3.43Å; C213-L217 PolarHBondContact O-N 3.5Å |
| 214 | L | 90.7 | Very high | 89 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 9% | 0.094 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.7 | -40.7 | 171.2 | -70 | -179.1 | 0 | 0 | 0 | 112.1 | I210 L211 E216 L217 F218 L240 V248 | I210-L214 HydrophobicContact CG2-CD1 3.91Å; I210-L214 HydrophobicContact CG2-CG 4.19Å; I210-L214 PolarHBondContact O-N 3.42Å; L211-L214 HydrophobicContact CD2-CD1 4.41Å; L211-L214 PolarHBondContact O-N 2.98Å; L211-L214 VanDerWaalsContact O-N 3.17Å; L214-E216 VanDerWaalsContact C-N 3.27Å; L214-E216 PolarHBondContact O-N 2.89Å; L214-L217 PolarHBondContact O-N 3.02Å; L214-F218 WeakPolarHBondContact O-CB 3.47Å; L214-F218 PolarHBondContact O-N 2.96Å; L214-L240 HydrophobicContact CD1-CD2 4.3Å; L214-L240 HydrophobicContact CD2-CD1 3.62Å; L214-L240 HydrophobicContact CD2-CD2 3.76Å; L214-L240 HydrophobicContact CD2-CG 4.34Å; L214-L240 HydrophobicContact CG-CD2 4.31Å; L214-V248 HydrophobicContact CD1-CG1 4.29Å; L214-V248 HydrophobicContact CD1-CG2 3.64Å |
| 215 | K | 89 | Confident | 88.1 | Confident | 149 Ų | 149 | 49.5 Ų | 49.5 | 65% | 0.648 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.9 | -39.6 | 170.4 | -68.7 | -163.8 | 176.2 | -160.4 | 0 | 111.4 | L211 F218 A219 | L211-K215 PolarHBondContact O-N 3.48Å; K215-F218 PolarHBondContact O-N 3.42Å; K215-A219 WeakPolarHBondContact O-CB 3.26Å; K215-A219 PolarHBondContact O-N 2.89Å |
| 216 | E | 92.1 | Very high | 86.6 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 174 | -167.4 | 66.7 | -125.5 | 0 | 0 | 112.8 | Q166 V169 R170 P212 C213 L214 F218 A219 V220 | Q166-E216 HydrophobicContact CB-CB 4.45Å; Q166-E216 HydrophobicContact CB-CG 4.08Å; Q166-E216 HydrophobicContact CG-CB 4.24Å; Q166-E216 HydrophobicContact CG-CG 4.4Å; V169-E216 HydrophobicContact CG1-CG 4.42Å; R170-E216 HydrophobicContact CG-CG 4.2Å; R170-E216 VanDerWaalsContact CZ-CD 3.43Å; R170-E216 IonicContact CZ-OE1 3.56Å; R170-E216 IonicContact CZ-OE2 3.95Å; R170-E216 IonicContact NE-OE1 2.67Å; R170-E216 PolarHBondContact NE-OE1 3.5Å; R170-E216 IonicContact NE-OE2 3.24Å; R170-E216 IonicContact NH2-OE1 3.68Å; R170-E216 PolarHBondContact NH2-OE1 2.73Å; R170-E216 IonicContact NH2-OE2 3.72Å; R170-E216 PolarHBondContact NH2-OE2 2.97Å; P212-E216 WeakPolarHBondContact O-CB 3.5Å; P212-E216 PolarHBondContact O-N 2.96Å; C213-E216 PolarHBondContact O-N 3.18Å; L214-E216 VanDerWaalsContact C-N 3.27Å; L214-E216 PolarHBondContact O-N 2.89Å; E216-F218 VanDerWaalsContact C-N 3.32Å; E216-F218 PolarHBondContact O-N 3.42Å; E216-A219 PolarHBondContact O-N 3.21Å; E216-V220 WeakPolarHBondContact O-CG2 3.4Å; E216-V220 PolarHBondContact O-N 3.4Å |
| 217 | L | 93.3 | Very high | 86 | Confident | 13 Ų | 13 | 58 Ų | 58 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 175.4 | 174.7 | 148.8 | 0 | 0 | 0 | 110.9 | V169 C213 L214 V220 I221 V236 V237 W273 | V169-L217 HydrophobicContact CG1-CB 3.94Å; C213-L217 WeakPolarHBondContact O-CB 3.43Å; C213-L217 PolarHBondContact O-N 3.5Å; L214-L217 PolarHBondContact O-N 3.02Å; L217-V220 PolarHBondContact O-N 2.95Å; L217-I221 HydrophobicContact CD2-CD1 4.29Å; L217-I221 WeakPolarHBondContact O-CG1 3.25Å; L217-I221 PolarHBondContact O-N 3.34Å; L217-V236 HydrophobicContact CD1-CB 3.91Å; L217-V236 HydrophobicContact CD1-CG1 3.75Å; L217-V237 HydrophobicContact CD1-CG1 4.15Å; L217-W273 HydrophobicContact CD1-CH2 4.36Å; L217-W273 HydrophobicContact CD2-CH2 4.09Å; L217-W273 HydrophobicContact CG-CH2 4.38Å |
| 218 | F | 91 | Very high | 85.8 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.9 | -175.2 | -98.2 | 0 | 0 | 0 | 111.9 | L214 K215 E216 V220 I221 S222 L252 V258 A266 | L214-F218 WeakPolarHBondContact O-CB 3.47Å; L214-F218 PolarHBondContact O-N 2.96Å; K215-F218 PolarHBondContact O-N 3.42Å; E216-F218 VanDerWaalsContact C-N 3.32Å; E216-F218 PolarHBondContact O-N 3.42Å; F218-V220 VanDerWaalsContact C-N 3.28Å; F218-V220 PolarHBondContact O-N 3.01Å; F218-I221 HydrophobicContact CD2-CD1 4.28Å; F218-I221 HydrophobicContact CD2-CG1 4.27Å; F218-I221 WeakPolarHBondContact O-CG1 3.38Å; F218-I221 PolarHBondContact O-N 2.95Å; F218-S222 WeakPolarHBondContact O-CB 3.35Å; F218-S222 PolarHBondContact O-N 3.02Å; F218-S222 PolarHBondContact O-OG 2.89Å; F218-L252 HydrophobicContact CD1-CD1 4.08Å; F218-L252 HydrophobicContact CD2-CD1 3.79Å; F218-L252 HydrophobicContact CD2-CD2 3.71Å; F218-L252 HydrophobicContact CD2-CG 4.44Å; F218-L252 HydrophobicContact CE1-CD1 3.82Å; F218-L252 HydrophobicContact CE2-CD1 3.51Å; F218-L252 HydrophobicContact CE2-CD2 3.69Å; F218-L252 HydrophobicContact CE2-CG 4.2Å; F218-L252 HydrophobicContact CG-CD1 4.08Å; F218-L252 HydrophobicContact CZ-CD1 3.54Å; F218-V258 HydrophobicContact CE1-CG1 3.84Å; F218-V258 HydrophobicContact CE1-CG2 4.06Å; F218-V258 HydrophobicContact CZ-CG1 3.72Å; F218-A266 HydrophobicContact CD2-CB 4.13Å; F218-A266 HydrophobicContact CE2-CB 3.37Å; F218-A266 HydrophobicContact CZ-CB 4Å |
| 219 | A | 90.1 | Very high | 86 | Confident | 48 Ų | 48 | 55 Ų | 55 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.3 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K215 E216 S222 C223 | K215-A219 WeakPolarHBondContact O-CB 3.26Å; K215-A219 PolarHBondContact O-N 2.89Å; E216-A219 PolarHBondContact O-N 3.21Å; A219-S222 PolarHBondContact O-OG 3.43Å; A219-C223 WeakPolarHBondContact O-CB 3.27Å; A219-C223 PolarHBondContact O-N 3.46Å |
| 220 | V | 91.6 | Very high | 86.1 | Confident | 29 Ų | 29 | 55.5 Ų | 55.5 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 112 | R170 E216 L217 F218 P229 L233 | R170-V220 HydrophobicContact CG-CG2 4.28Å; E216-V220 WeakPolarHBondContact O-CG2 3.4Å; E216-V220 PolarHBondContact O-N 3.4Å; L217-V220 PolarHBondContact O-N 2.95Å; F218-V220 VanDerWaalsContact C-N 3.28Å; F218-V220 PolarHBondContact O-N 3.01Å; V220-P229 HydrophobicContact CG1-CB 3.8Å; V220-L233 HydrophobicContact CG1-CD1 3.75Å |
| 221 | I | 92.5 | Very high | 86 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -80 | -22 | 179.7 | 64.9 | 173.1 | 0 | 0 | 0 | 114.4 | L217 F218 L233 A266 R269 M270 W273 | L217-I221 HydrophobicContact CD2-CD1 4.29Å; L217-I221 WeakPolarHBondContact O-CG1 3.25Å; L217-I221 PolarHBondContact O-N 3.34Å; F218-I221 HydrophobicContact CD2-CD1 4.28Å; F218-I221 HydrophobicContact CD2-CG1 4.27Å; F218-I221 WeakPolarHBondContact O-CG1 3.38Å; F218-I221 PolarHBondContact O-N 2.95Å; I221-L233 HydrophobicContact CG2-CD1 3.95Å; I221-A266 HydrophobicContact CD1-CB 3.85Å; I221-A266 HydrophobicContact CG1-CB 3.82Å; I221-R269 WeakPolarHBondContact O-CD 3.33Å; I221-R269 PolarHBondContact O-NH1 3.46Å; I221-M270 HydrophobicContact CD1-CG 3.78Å; I221-M270 HydrophobicContact CD1-SD 3.91Å; I221-W273 HydrophobicContact CD1-CH2 4.35Å; I221-W273 HydrophobicContact CG2-CH2 3.96Å; I221-W273 HydrophobicContact CG2-CZ2 3.54Å |
| 222 | S | 90.8 | Very high | 86.1 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -87 | -12.9 | 175.7 | 54.3 | 0 | 0 | 0 | 0 | 114 | F218 A219 | F218-S222 WeakPolarHBondContact O-CB 3.35Å; F218-S222 PolarHBondContact O-N 3.02Å; F218-S222 PolarHBondContact O-OG 2.89Å; A219-S222 PolarHBondContact O-OG 3.43Å |
| 223 | C | 85.8 | Confident | 86.2 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | trans | -67.2 | 126.7 | -178 | 179.8 | 0 | 0 | 0 | 0 | 113.4 | A219 E225 R269 | A219-C223 WeakPolarHBondContact O-CB 3.27Å; A219-C223 PolarHBondContact O-N 3.46Å; C223-E225 VanDerWaalsContact C-N 3.33Å; C223-E225 PolarHBondContact O-N 3.03Å; C223-E225 VanDerWaalsContact SG-CG 3.56Å; C223-R269 VanDerWaalsContact O-CZ 3.25Å; C223-R269 PolarHBondContact O-NH1 3.11Å; C223-R269 PolarHBondContact O-NH2 3.25Å | ||
| 224 | T | 72.4 | Confident | 86.3 | Confident | 104 Ų | 104 | 50.5 Ų | 50.5 | 64% | 0.638 | 27% | 0.272 | S | S | * | . | trans | -92.7 | 30.2 | -179 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 225 | E | 69.9 | Low | 86.3 | Confident | 120 Ų | 120 | 49.7 Ų | 49.7 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | trans | -63.7 | 154.1 | 169.4 | -83.5 | 174.4 | -158.3 | 0 | 0 | 111.6 | R174 C223 E227 | R174-E225 IonicContact NH2-OE2 3.24Å; C223-E225 VanDerWaalsContact C-N 3.33Å; C223-E225 PolarHBondContact O-N 3.03Å; C223-E225 VanDerWaalsContact SG-CG 3.56Å; E225-E227 VanDerWaalsContact C-N 3.33Å; E225-E227 PolarHBondContact O-N 3.49Å | ||
| 226 | E | 57.3 | Low | 86.5 | Confident | 175 Ų | 175 | 42.6 Ų | 42.6 | 82% | 0.818 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -60 | -35.6 | -174.2 | -61.8 | 179.5 | 152.1 | 0 | 0 | 113.8 | ||
| 227 | E | 75.6 | Confident | 86.3 | Confident | 136 Ų | 136 | 41.9 Ų | 41.9 | 64% | 0.636 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -89.2 | 118.4 | 175.7 | -93.2 | -162.3 | -123.7 | 0 | 0 | 111.5 | R176 E225 | R176-E227 IonicContact CZ-OE2 3.22Å; R176-E227 IonicContact NE-OE2 2.67Å; R176-E227 PolarHBondContact NE-OE2 2.89Å; R176-E227 IonicContact NH2-OE2 3.52Å; R176-E227 PolarHBondContact NH2-OE2 3.28Å; E225-E227 VanDerWaalsContact C-N 3.33Å; E225-E227 PolarHBondContact O-N 3.49Å |
| 228 | P | 82.3 | Confident | 86 | Confident | 79 Ų | 79 | 42.3 Ų | 42.3 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -67.6 | 143.3 | 177.9 | 27.1 | -34.1 | 0 | 0 | 0 | 111.7 | R176 | R176-P228 VanDerWaalsContact CZ-O 3.31Å; R176-P228 PolarHBondContact NH1-O 2.86Å; R176-P228 PolarHBondContact NH2-O 3.39Å |
| 229 | P | 90.7 | Very high | 86 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 16% | 0.156 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 153.2 | 178.7 | 29.6 | -35.6 | 0 | 0 | 0 | 111.6 | G173 V220 L233 | G173-P229 CarbonylContact O-C 3.56Å; G173-P229 WeakPolarHBondContact O-CA 3.26Å; V220-P229 HydrophobicContact CG1-CB 3.8Å; P229-L233 HydrophobicContact CB-CD1 4.02Å |
| 230 | S | 90.9 | Very high | 85.9 | Confident | 10 Ų | 10 | 41.8 Ų | 41.8 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 139.8 | -177.9 | -168 | 0 | 0 | 0 | 0 | 113.3 | L172 G173 F175 A232 L233 | L172-S230 VanDerWaalsContact O-CB 3.25Å; L172-S230 WeakPolarHBondContact O-CB 3.49Å; G173-S230 PolarHBondContact O-N 2.9Å; F175-S230 WeakPolarHBondContact O-CB 3.18Å; F175-S230 PolarHBondContact O-OG 3.05Å; S230-A232 PolarHBondContact O-N 2.87Å; S230-A232 VanDerWaalsContact O-N 3.11Å; S230-A232 WeakPolarHBondContact OG-CB 2.97Å; S230-A232 PolarHBondContact OG-N 2.6Å; S230-A232 VanDerWaalsContact OG-N 3.16Å; S230-L233 PolarHBondContact O-N 2.86Å |
| 231 | S | 89.5 | Confident | 85.6 | Confident | 49 Ų | 49 | 42.7 Ų | 42.7 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -61.9 | -12.6 | 166.7 | -47.2 | 0 | 0 | 0 | 0 | 113 | L233 A234 | S231-L233 PolarHBondContact O-N 3.33Å; S231-L233 VanDerWaalsContact O-N 3.11Å; S231-A234 WeakPolarHBondContact O-CB 3.31Å; S231-A234 PolarHBondContact O-N 3.23Å |
| 232 | A | 91.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -58.8 | -19.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L172 F175 F188 A192 S230 A234 S235 W276 | L172-A232 HydrophobicContact CD2-CB 4.32Å; F175-A232 HydrophobicContact CB-CB 4.13Å; F175-A232 HydrophobicContact CD2-CB 4.3Å; F188-A232 HydrophobicContact CZ-CB 4.34Å; A192-A232 HydrophobicContact CB-CB 4.22Å; S230-A232 PolarHBondContact O-N 2.87Å; S230-A232 VanDerWaalsContact O-N 3.11Å; S230-A232 WeakPolarHBondContact OG-CB 2.97Å; S230-A232 PolarHBondContact OG-N 2.6Å; S230-A232 VanDerWaalsContact OG-N 3.16Å; A232-A234 PolarHBondContact O-N 2.8Å; A232-S235 WeakPolarHBondContact O-CB 3.39Å; A232-S235 PolarHBondContact O-N 2.91Å; A232-S235 PolarHBondContact O-OG 2.85Å; A232-W276 HydrophobicContact CB-CH2 3.89Å; A232-W276 HydrophobicContact CB-CZ3 4.13Å |
| 233 | L | 92.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -60.4 | -25.4 | 169.6 | -70.1 | 170.3 | 0 | 0 | 0 | 113.3 | V169 L172 V220 I221 P229 S230 S231 S235 V236 W273 | V169-L233 HydrophobicContact CG1-CD2 4.03Å; V169-L233 WeakPolarHBondContact O-CD2 3.49Å; L172-L233 HydrophobicContact CB-CD2 4.05Å; V220-L233 HydrophobicContact CG1-CD1 3.75Å; I221-L233 HydrophobicContact CG2-CD1 3.95Å; P229-L233 HydrophobicContact CB-CD1 4.02Å; S230-L233 PolarHBondContact O-N 2.86Å; S231-L233 PolarHBondContact O-N 3.33Å; S231-L233 VanDerWaalsContact O-N 3.11Å; L233-S235 PolarHBondContact O-N 2.85Å; L233-V236 VanDerWaalsContact O-CB 3.24Å; L233-V236 WeakPolarHBondContact O-CB 3.44Å; L233-V236 WeakPolarHBondContact O-CG2 3.32Å; L233-V236 PolarHBondContact O-N 2.92Å; L233-W273 HydrophobicContact CB-CH2 4.2Å; L233-W273 HydrophobicContact CB-CZ2 3.42Å; L233-W273 VanDerWaalsContact CB-CZ2 3.42Å; L233-W273 HydrophobicContact CD1-CZ2 4.26Å; L233-W273 HydrophobicContact CG-CZ2 4.49Å |
| 234 | A | 91.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.7 | -30.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S231 A232 V236 V237 W273 W276 I282 | S231-A234 WeakPolarHBondContact O-CB 3.31Å; S231-A234 PolarHBondContact O-N 3.23Å; A232-A234 PolarHBondContact O-N 2.8Å; A234-V236 PolarHBondContact O-N 3.1Å; A234-V237 WeakPolarHBondContact O-CG2 3.44Å; A234-V237 PolarHBondContact O-N 3.43Å; A234-W273 HydrophobicContact CB-CB 3.76Å; A234-W273 HydrophobicContact CB-CD2 4.1Å; A234-W273 HydrophobicContact CB-CG 3.74Å; A234-W276 HydrophobicContact CB-CB 3.52Å; A234-W276 HydrophobicContact CB-CD2 4.03Å; A234-W276 HydrophobicContact CB-CG 3.46Å; A234-W276 VanDerWaalsContact CB-CG 3.46Å; A234-I282 HydrophobicContact CB-CD1 3.8Å |
| 235 | S | 92.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.7 | -10.9 | 175.3 | 76 | 0 | 0 | 0 | 0 | 113.5 | S196 A232 L233 Q238 H239 | S196-S235 WeakPolarHBondContact CB-O 3.43Å; S196-S235 WeakPolarHBondContact CB-OG 3.49Å; S196-S235 PolarHBondContact OG-O 3.28Å; S196-S235 PolarHBondContact OG-OG 3.08Å; A232-S235 WeakPolarHBondContact O-CB 3.39Å; A232-S235 PolarHBondContact O-N 2.91Å; A232-S235 PolarHBondContact O-OG 2.85Å; L233-S235 PolarHBondContact O-N 2.85Å; S235-Q238 WeakPolarHBondContact O-CG 3.36Å; S235-Q238 PolarHBondContact O-NE2 2.91Å; S235-H239 PolarHBondContact O-CD2 3.43Å; S235-H239 PolarHBondContact O-NE2 3.25Å; S235-H239 VanDerWaalsContact O-NE2 3.12Å |
| 236 | V | 91.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -82.2 | -46.5 | 175 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | L172 L199 W203 L217 L233 A234 Q238 H239 | L172-V236 HydrophobicContact CD1-CG2 3.63Å; L199-V236 HydrophobicContact CD2-CG1 4Å; L199-V236 HydrophobicContact CD2-CG2 4.34Å; W203-V236 HydrophobicContact CH2-CG1 3.48Å; W203-V236 VanDerWaalsContact CH2-CG1 3.48Å; W203-V236 HydrophobicContact CZ2-CG1 4.28Å; W203-V236 HydrophobicContact CZ3-CG1 4.27Å; L217-V236 HydrophobicContact CD1-CB 3.91Å; L217-V236 HydrophobicContact CD1-CG1 3.75Å; L233-V236 VanDerWaalsContact O-CB 3.24Å; L233-V236 WeakPolarHBondContact O-CB 3.44Å; L233-V236 WeakPolarHBondContact O-CG2 3.32Å; L233-V236 PolarHBondContact O-N 2.92Å; A234-V236 PolarHBondContact O-N 3.1Å; V236-Q238 VanDerWaalsContact C-N 3.34Å; V236-Q238 PolarHBondContact O-N 3.44Å; V236-H239 PolarHBondContact O-N 2.9Å |
| 237 | V | 88.5 | Confident | 87.4 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70 | -26 | -170.9 | -63.6 | 0 | 0 | 0 | 0 | 114.3 | L217 A234 H239 L240 W273 I282 | L217-V237 HydrophobicContact CD1-CG1 4.15Å; A234-V237 WeakPolarHBondContact O-CG2 3.44Å; A234-V237 PolarHBondContact O-N 3.43Å; V237-H239 PolarHBondContact O-N 2.96Å; V237-H239 VanDerWaalsContact O-N 3.09Å; V237-L240 HydrophobicContact CB-CD1 4.01Å; V237-L240 HydrophobicContact CG1-CD1 3.95Å; V237-L240 PolarHBondContact O-N 2.97Å; V237-W273 HydrophobicContact CG1-CH2 4.39Å; V237-W273 HydrophobicContact CG1-CZ3 3.76Å; V237-W273 HydrophobicContact CG2-CE3 4.25Å; V237-W273 HydrophobicContact CG2-CZ3 4.24Å; V237-I282 HydrophobicContact CG2-CG1 4.02Å |
| 238 | Q | 87.9 | Confident | 87.9 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 11% | 0.107 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.4 | 172.4 | 57 | 164.1 | -20.8 | 0 | 0 | 114.5 | S235 V236 L278 K280 | S235-Q238 WeakPolarHBondContact O-CG 3.36Å; S235-Q238 PolarHBondContact O-NE2 2.91Å; V236-Q238 VanDerWaalsContact C-N 3.34Å; V236-Q238 PolarHBondContact O-N 3.44Å; Q238-L278 PolarHBondContact OE1-O 3.38Å; Q238-K280 WeakPolarHBondContact CA-O 3.31Å; Q238-K280 HydrophobicContact CB-CB 4.17Å |
| 239 | H | 89.4 | Confident | 88.1 | Confident | 59 Ų | 59 | 35.1 Ų | 35.1 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 2.4 | -177.2 | -59.8 | -49.3 | 0 | 0 | 0 | 113.5 | Q193 S196 G197 A200 W203 S235 V236 V237 | Q193-H239 PolarHBondContact NE2-CE1 3.04Å; S196-H239 VanDerWaalsContact C-NE2 3.26Å; S196-H239 WeakPolarHBondContact CB-NE2 3.4Å; S196-H239 PolarHBondContact O-CD2 2.88Å; S196-H239 PolarHBondContact OG-NE2 3.24Å; G197-H239 PolarHBondContact N-NE2 3Å; A200-H239 HydrophobicContact CB-CB 3.67Å; W203-H239 HydrophobicContact CZ3-CB 4.3Å; S235-H239 PolarHBondContact O-CD2 3.43Å; S235-H239 PolarHBondContact O-NE2 3.25Å; S235-H239 VanDerWaalsContact O-NE2 3.12Å; V236-H239 PolarHBondContact O-N 2.9Å; V237-H239 PolarHBondContact O-N 2.96Å; V237-H239 VanDerWaalsContact O-N 3.09Å |
| 240 | L | 88.1 | Confident | 87.8 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -85.2 | 136.2 | -179.4 | -60.4 | 171.3 | 0 | 0 | 0 | 111.2 | W203 I210 L214 V237 L242 W285 | W203-L240 HydrophobicContact CE3-CD2 4.34Å; W203-L240 HydrophobicContact CH2-CD2 3.64Å; W203-L240 HydrophobicContact CZ3-CD2 3.49Å; W203-L240 VanDerWaalsContact CZ3-CD2 3.49Å; W203-L240 HydrophobicContact CZ3-CG 4.34Å; I210-L240 HydrophobicContact CG2-CD2 4Å; L214-L240 HydrophobicContact CD1-CD2 4.3Å; L214-L240 HydrophobicContact CD2-CD1 3.62Å; L214-L240 HydrophobicContact CD2-CD2 3.76Å; L214-L240 HydrophobicContact CD2-CG 4.34Å; L214-L240 HydrophobicContact CG-CD2 4.31Å; V237-L240 HydrophobicContact CB-CD1 4.01Å; V237-L240 HydrophobicContact CG1-CD1 3.95Å; V237-L240 PolarHBondContact O-N 2.97Å; L240-L242 PolarHBondContact O-N 3.23Å; L240-W285 HydrophobicContact CB-CH2 4.3Å; L240-W285 HydrophobicContact CB-CZ2 3.48Å; L240-W285 VanDerWaalsContact CB-CZ2 3.48Å; L240-W285 HydrophobicContact CD1-CD2 4.47Å; L240-W285 HydrophobicContact CD1-CH2 3.96Å; L240-W285 HydrophobicContact CD1-CZ2 3.61Å; L240-W285 HydrophobicContact CG-CZ2 4.2Å |
| 241 | P | 86.3 | Confident | 87.5 | Confident | 48 Ų | 48 | 46 Ų | 46 | 31% | 0.312 | 24% | 0.241 | S | C | . | . | trans | -61.3 | 134.3 | 168.1 | -18.5 | 30.3 | 0 | 0 | 0 | 111 | E243 L244 | P241-E243 WeakPolarHBondContact CB-OE2 3.25Å; P241-E243 PolarHBondContact O-N 3.18Å; P241-L244 HydrophobicContact CB-CG 4.4Å; P241-L244 HydrophobicContact CG-CD1 4.26Å; P241-L244 PolarHBondContact O-N 3.47Å | ||
| 242 | L | 86 | Confident | 87.4 | Confident | 68 Ų | 68 | 45 Ų | 45 | 36% | 0.356 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -66.9 | -23.8 | 177.6 | -63 | 177.1 | 0 | 0 | 0 | 111.9 | L240 L244 M245 N281 K284 | L240-L242 PolarHBondContact O-N 3.23Å; L242-L244 PolarHBondContact O-N 3.29Å; L242-L244 VanDerWaalsContact O-N 3.16Å; L242-M245 HydrophobicContact CD2-SD 4.46Å; L242-M245 WeakPolarHBondContact O-CB 3.17Å; L242-M245 PolarHBondContact O-N 2.93Å; L242-N281 HydrophobicContact CD2-CB 4.15Å; L242-K284 HydrophobicContact CD1-CD 4.18Å; L242-K284 HydrophobicContact CD2-CD 4.36Å |
| 243 | E | 85.9 | Confident | 87 | Confident | 173 Ų | 173 | 46 Ų | 46 | 81% | 0.808 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -58.6 | -25.5 | 174.3 | -56.2 | 116.4 | -160.7 | 0 | 0 | 113.3 | P241 | P241-E243 WeakPolarHBondContact CB-OE2 3.25Å; P241-E243 PolarHBondContact O-N 3.18Å |
| 244 | L | 85.6 | Confident | 86.5 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -85.6 | -11.5 | 178.6 | -60.6 | -178.5 | 0 | 0 | 0 | 113 | I210 P241 L242 G247 V248 | I210-L244 HydrophobicContact CD1-CD1 4.33Å; I210-L244 HydrophobicContact CG2-CD1 3.95Å; P241-L244 HydrophobicContact CB-CG 4.4Å; P241-L244 HydrophobicContact CG-CD1 4.26Å; P241-L244 PolarHBondContact O-N 3.47Å; L242-L244 PolarHBondContact O-N 3.29Å; L242-L244 VanDerWaalsContact O-N 3.16Å; L244-G247 PolarHBondContact O-N 2.85Å; L244-V248 HydrophobicContact CB-CG2 4.44Å; L244-V248 WeakPolarHBondContact O-CB 3.43Å; L244-V248 WeakPolarHBondContact O-CG2 3.45Å; L244-V248 PolarHBondContact O-N 3.46Å |
| 245 | M | 86.7 | Confident | 86.1 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 15% | 0.153 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.2 | -53.4 | -170.3 | -171.2 | 174.9 | 68.7 | 0 | 0 | 112.1 | L242 G247 V248 V249 K284 W285 A288 | L242-M245 HydrophobicContact CD2-SD 4.46Å; L242-M245 WeakPolarHBondContact O-CB 3.17Å; L242-M245 PolarHBondContact O-N 2.93Å; M245-G247 VanDerWaalsContact C-N 3.27Å; M245-G247 PolarHBondContact O-N 3.47Å; M245-V248 PolarHBondContact O-N 3.48Å; M245-V249 HydrophobicContact CG-CG2 4.49Å; M245-V249 WeakPolarHBondContact O-CB 3.32Å; M245-V249 WeakPolarHBondContact O-CG2 3.38Å; M245-V249 PolarHBondContact O-N 3.09Å; M245-K284 HydrophobicContact SD-CB 4.21Å; M245-W285 HydrophobicContact CB-CE3 4.49Å; M245-W285 HydrophobicContact CB-CH2 3.86Å; M245-W285 HydrophobicContact CB-CZ2 4.18Å; M245-W285 HydrophobicContact CB-CZ3 4.04Å; M245-W285 HydrophobicContact CG-CD2 4.18Å; M245-W285 HydrophobicContact CG-CE3 3.87Å; M245-W285 HydrophobicContact CG-CH2 4.14Å; M245-W285 HydrophobicContact CG-CZ2 4.42Å; M245-W285 HydrophobicContact CG-CZ3 3.87Å; M245-W285 HydrophobicContact SD-CD2 4.48Å; M245-A288 HydrophobicContact CE-CB 3.83Å; M245-A288 HydrophobicContact CG-CB 3.68Å; M245-A288 HydrophobicContact SD-CB 3.55Å; M245-A288 VanDerWaalsContact SD-CB 3.55Å |
| 246 | D | 81.1 | Confident | 85.4 | Confident | 101 Ų | 101 | 61.9 Ų | 61.9 | 54% | 0.54 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.6 | -29.1 | -177.3 | -60 | -16.7 | 0 | 0 | 0 | 112.9 | R250 | D246-R250 WeakPolarHBondContact O-CB 3.27Å; D246-R250 PolarHBondContact O-N 3.22Å |
| 247 | G | 81.9 | Confident | 85 | Confident | 31 Ų | 31 | 66 Ų | 66 | 32% | 0.32 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -74.2 | -45 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L244 M245 N251 | L244-G247 PolarHBondContact O-N 2.85Å; M245-G247 VanDerWaalsContact C-N 3.27Å; M245-G247 PolarHBondContact O-N 3.47Å; G247-N251 VanDerWaalsContact O-CB 3.3Å; G247-N251 WeakPolarHBondContact O-CB 3.49Å; G247-N251 PolarHBondContact O-N 2.96Å; G247-N251 PolarHBondContact O-ND2 2.84Å |
| 248 | V | 85.9 | Confident | 84.9 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 19% | 0.188 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66 | -45.8 | 178.4 | 170 | 0 | 0 | 0 | 0 | 111.1 | L211 L214 L244 M245 L252 W285 | L211-V248 HydrophobicContact CD2-CG2 3.99Å; L214-V248 HydrophobicContact CD1-CG1 4.29Å; L214-V248 HydrophobicContact CD1-CG2 3.64Å; L244-V248 HydrophobicContact CB-CG2 4.44Å; L244-V248 WeakPolarHBondContact O-CB 3.43Å; L244-V248 WeakPolarHBondContact O-CG2 3.45Å; L244-V248 PolarHBondContact O-N 3.46Å; M245-V248 PolarHBondContact O-N 3.48Å; V248-L252 VanDerWaalsContact O-CB 3.29Å; V248-L252 WeakPolarHBondContact O-CB 3.39Å; V248-L252 PolarHBondContact O-N 3.32Å; V248-W285 HydrophobicContact CB-CZ3 4.26Å; V248-W285 HydrophobicContact CG1-CZ3 4.19Å |
| 249 | V | 86.6 | Confident | 84.9 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 178.6 | 167.6 | 0 | 0 | 0 | 0 | 111.3 | M245 N251 L252 S253 A288 L289 | M245-V249 HydrophobicContact CG-CG2 4.49Å; M245-V249 WeakPolarHBondContact O-CB 3.32Å; M245-V249 WeakPolarHBondContact O-CG2 3.38Å; M245-V249 PolarHBondContact O-N 3.09Å; V249-N251 PolarHBondContact O-N 2.93Å; V249-L252 CarbonylContact O-C 3.57Å; V249-L252 PolarHBondContact O-N 3.24Å; V249-L252 VanDerWaalsContact O-N 3.14Å; V249-S253 PolarHBondContact O-N 2.86Å; V249-S253 PolarHBondContact O-OG 3.05Å; V249-A288 WeakPolarHBondContact CG1-O 3.39Å; V249-A288 HydrophobicContact CG2-CB 4.06Å; V249-L289 HydrophobicContact CG1-CD1 4.44Å; V249-L289 HydrophobicContact CG2-CB 4.5Å |
| 250 | R | 84.1 | Confident | 84.8 | Confident | 150 Ų | 150 | 70.2 Ų | 70.2 | 57% | 0.566 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | -179.9 | -174.3 | -166.3 | -42.4 | 179.9 | 4.4 | 112.6 | D246 L252 S253 N254 | D246-R250 WeakPolarHBondContact O-CB 3.27Å; D246-R250 PolarHBondContact O-N 3.22Å; R250-L252 VanDerWaalsContact C-N 3.3Å; R250-S253 WeakPolarHBondContact CA-OG 3.49Å; R250-S253 PolarHBondContact O-OG 2.79Å; R250-N254 VanDerWaalsContact O-CB 3.28Å; R250-N254 WeakPolarHBondContact O-CB 3.33Å; R250-N254 PolarHBondContact O-N 3.36Å; R250-N254 PolarHBondContact O-OD1 2.78Å |
| 251 | N | 85.1 | Confident | 84.8 | Confident | 114 Ų | 114 | 72.3 Ų | 72.3 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.7 | -39.1 | 174.4 | -71 | -11.1 | 0 | 0 | 0 | 110.7 | G247 V249 D255 | G247-N251 VanDerWaalsContact O-CB 3.3Å; G247-N251 WeakPolarHBondContact O-CB 3.49Å; G247-N251 PolarHBondContact O-N 2.96Å; G247-N251 PolarHBondContact O-ND2 2.84Å; V249-N251 PolarHBondContact O-N 2.93Å; N251-D255 WeakPolarHBondContact O-CB 3.42Å; N251-D255 PolarHBondContact O-N 3.1Å |
| 252 | L | 85.8 | Confident | 85 | Confident | 28 Ų | 28 | 73.2 Ų | 73.2 | 15% | 0.147 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.6 | -40.5 | 178.9 | 176.9 | 59.5 | 0 | 0 | 0 | 113.1 | F218 V248 V249 R250 N254 V258 M263 L289 | F218-L252 HydrophobicContact CD1-CD1 4.08Å; F218-L252 HydrophobicContact CD2-CD1 3.79Å; F218-L252 HydrophobicContact CD2-CD2 3.71Å; F218-L252 HydrophobicContact CD2-CG 4.44Å; F218-L252 HydrophobicContact CE1-CD1 3.82Å; F218-L252 HydrophobicContact CE2-CD1 3.51Å; F218-L252 HydrophobicContact CE2-CD2 3.69Å; F218-L252 HydrophobicContact CE2-CG 4.2Å; F218-L252 HydrophobicContact CG-CD1 4.08Å; F218-L252 HydrophobicContact CZ-CD1 3.54Å; V248-L252 VanDerWaalsContact O-CB 3.29Å; V248-L252 WeakPolarHBondContact O-CB 3.39Å; V248-L252 PolarHBondContact O-N 3.32Å; V249-L252 CarbonylContact O-C 3.57Å; V249-L252 PolarHBondContact O-N 3.24Å; V249-L252 VanDerWaalsContact O-N 3.14Å; R250-L252 VanDerWaalsContact C-N 3.3Å; L252-N254 PolarHBondContact O-N 3.37Å; L252-V258 HydrophobicContact CD1-CG2 4.28Å; L252-M263 HydrophobicContact CD1-CE 3.83Å; L252-M263 HydrophobicContact CD1-SD 4.29Å; L252-M263 HydrophobicContact CD2-SD 4.39Å; L252-M263 HydrophobicContact CG-CE 3.9Å; L252-M263 HydrophobicContact CG-SD 4.1Å; L252-M263 WeakPolarHBondContact O-CE 3.46Å; L252-L289 HydrophobicContact CD2-CD1 3.96Å; L252-L289 HydrophobicContact CD2-CD2 4.39Å |
| 253 | S | 82.8 | Confident | 85.2 | Confident | 19 Ų | 19 | 70.5 Ų | 70.5 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -69.4 | -21.6 | 179.4 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | V249 R250 | V249-S253 PolarHBondContact O-N 2.86Å; V249-S253 PolarHBondContact O-OG 3.05Å; R250-S253 WeakPolarHBondContact CA-OG 3.49Å; R250-S253 PolarHBondContact O-OG 2.79Å |
| 254 | N | 83.9 | Confident | 85.5 | Confident | 97 Ų | 97 | 63 Ų | 63 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 7 | -174.1 | -58.3 | 14.7 | 0 | 0 | 0 | 112.8 | R250 L252 D256 V296 | R250-N254 VanDerWaalsContact O-CB 3.28Å; R250-N254 WeakPolarHBondContact O-CB 3.33Å; R250-N254 PolarHBondContact O-N 3.36Å; R250-N254 PolarHBondContact O-OD1 2.78Å; L252-N254 PolarHBondContact O-N 3.37Å; N254-D256 PolarHBondContact O-N 3.22Å; N254-V296 VanDerWaalsContact OD1-CG1 3.25Å; N254-V296 WeakPolarHBondContact OD1-CG1 3.46Å |
| 255 | D | 82.4 | Confident | 85.7 | Confident | 66 Ų | 66 | 61.3 Ų | 61.3 | 35% | 0.353 | 34% | 0.34 | S | S | . | . | trans | -86.9 | 98.7 | 179.4 | -167.3 | -28 | 0 | 0 | 0 | 110.2 | N251 S257 V258 | N251-D255 WeakPolarHBondContact O-CB 3.42Å; N251-D255 PolarHBondContact O-N 3.1Å; D255-S257 PolarHBondContact O-N 2.96Å; D255-S257 VanDerWaalsContact OD1-CB 3.27Å; D255-S257 WeakPolarHBondContact OD1-CB 3.49Å; D255-S257 PolarHBondContact OD1-N 2.83Å; D255-S257 PolarHBondContact OD1-OG 3.04Å; D255-V258 HydrophobicContact CB-CG2 4.04Å; D255-V258 PolarHBondContact O-N 3.15Å | ||
| 256 | D | 78.3 | Confident | 86 | Confident | 172 Ų | 172 | 59.9 Ų | 59.9 | 92% | 0.92 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -13.1 | 178 | -70.7 | -41.3 | 0 | 0 | 0 | 114 | N254 V258 | N254-D256 PolarHBondContact O-N 3.22Å; D256-V258 VanDerWaalsContact C-N 3.35Å |
| 257 | S | 82.9 | Confident | 86.6 | Confident | 88 Ų | 88 | 55 Ų | 55 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -12.1 | 174.2 | 76.7 | 0 | 0 | 0 | 0 | 114 | D255 | D255-S257 PolarHBondContact O-N 2.96Å; D255-S257 VanDerWaalsContact OD1-CB 3.27Å; D255-S257 WeakPolarHBondContact OD1-CB 3.49Å; D255-S257 PolarHBondContact OD1-N 2.83Å; D255-S257 PolarHBondContact OD1-OG 3.04Å |
| 258 | V | 85.5 | Confident | 87.2 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -94.2 | 115.5 | 179.1 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | F218 L252 D255 D256 Q262 M263 | F218-V258 HydrophobicContact CE1-CG1 3.84Å; F218-V258 HydrophobicContact CE1-CG2 4.06Å; F218-V258 HydrophobicContact CZ-CG1 3.72Å; L252-V258 HydrophobicContact CD1-CG2 4.28Å; D255-V258 HydrophobicContact CB-CG2 4.04Å; D255-V258 PolarHBondContact O-N 3.15Å; D256-V258 VanDerWaalsContact C-N 3.35Å; V258-Q262 HydrophobicContact CG1-CB 4.13Å; V258-M263 HydrophobicContact CB-CE 4.22Å; V258-M263 HydrophobicContact CG1-CB 4.34Å; V258-M263 HydrophobicContact CG1-CE 3.68Å |
| 259 | T | 88.3 | Confident | 87.5 | Confident | 76 Ų | 76 | 55.1 Ų | 55.1 | 47% | 0.466 | 30% | 0.298 | S | S | . | . | trans | -72.8 | 152.8 | 178.6 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | S261 Q262 M263 | T259-S261 PolarHBondContact O-N 3.31Å; T259-S261 VanDerWaalsContact O-N 3.16Å; T259-Q262 WeakPolarHBondContact O-CB 3.3Å; T259-Q262 PolarHBondContact O-N 3.21Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.36Å; T259-Q262 PolarHBondContact OG1-N 3.3Å; T259-Q262 PolarHBondContact OG1-OE1 2.98Å; T259-M263 PolarHBondContact O-N 3.36Å | ||
| 260 | D | 87.8 | Confident | 87.8 | Confident | 77 Ų | 77 | 55.2 Ų | 55.2 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.2 | -30.2 | 179 | -72.3 | -2 | 0 | 0 | 0 | 112.7 | L264 K298 I301 | D260-L264 WeakPolarHBondContact O-CB 3.29Å; D260-L264 PolarHBondContact O-N 3.19Å; D260-K298 IonicContact OD1-NZ 3.97Å; D260-K298 PolarHBondContact OD1-NZ 3.26Å; D260-K298 IonicContact OD2-NZ 3.27Å; D260-K298 PolarHBondContact OD2-NZ 3.22Å; D260-I301 HydrophobicContact CB-CD1 3.86Å; D260-I301 HydrophobicContact CB-CG1 4.4Å |
| 261 | S | 87.8 | Confident | 88.3 | Confident | 54 Ų | 54 | 48.3 Ų | 48.3 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.3 | -42.8 | 173.4 | -179 | 0 | 0 | 0 | 0 | 112.9 | T259 M263 T265 | T259-S261 PolarHBondContact O-N 3.31Å; T259-S261 VanDerWaalsContact O-N 3.16Å; S261-M263 VanDerWaalsContact C-N 3.33Å; S261-T265 VanDerWaalsContact O-CB 3.28Å; S261-T265 WeakPolarHBondContact O-CB 3.39Å; S261-T265 PolarHBondContact O-N 3.18Å; S261-T265 PolarHBondContact O-OG1 2.85Å |
| 262 | Q | 90.3 | Very high | 88.6 | Confident | 67 Ų | 67 | 45.4 Ų | 45.4 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 173.2 | -78.8 | 165.1 | -50 | 0 | 0 | 111.4 | V258 T259 T265 A266 | V258-Q262 HydrophobicContact CG1-CB 4.13Å; T259-Q262 WeakPolarHBondContact O-CB 3.3Å; T259-Q262 PolarHBondContact O-N 3.21Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.36Å; T259-Q262 PolarHBondContact OG1-N 3.3Å; T259-Q262 PolarHBondContact OG1-OE1 2.98Å; Q262-T265 PolarHBondContact O-N 2.67Å; Q262-A266 WeakPolarHBondContact O-CB 3.28Å; Q262-A266 PolarHBondContact O-N 3.28Å |
| 263 | M | 91.5 | Very high | 89 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -50.2 | 178.2 | -168.1 | 64.7 | 75.8 | 0 | 0 | 111.5 | L252 V258 T259 S261 T265 A266 I267 L293 I301 | L252-M263 HydrophobicContact CD1-CE 3.83Å; L252-M263 HydrophobicContact CD1-SD 4.29Å; L252-M263 HydrophobicContact CD2-SD 4.39Å; L252-M263 HydrophobicContact CG-CE 3.9Å; L252-M263 HydrophobicContact CG-SD 4.1Å; L252-M263 WeakPolarHBondContact O-CE 3.46Å; V258-M263 HydrophobicContact CB-CE 4.22Å; V258-M263 HydrophobicContact CG1-CB 4.34Å; V258-M263 HydrophobicContact CG1-CE 3.68Å; T259-M263 PolarHBondContact O-N 3.36Å; S261-M263 VanDerWaalsContact C-N 3.33Å; M263-T265 PolarHBondContact O-N 3.31Å; M263-A266 PolarHBondContact O-N 3.41Å; M263-I267 WeakPolarHBondContact O-CG2 3.33Å; M263-I267 PolarHBondContact O-N 3.07Å; M263-L293 HydrophobicContact CG-CD1 4.42Å; M263-L293 HydrophobicContact CG-CD2 3.63Å; M263-L293 HydrophobicContact SD-CD2 4.1Å; M263-I301 HydrophobicContact CB-CD1 4.08Å; M263-I301 HydrophobicContact CG-CD1 4.12Å |
| 264 | L | 90.6 | Very high | 89.4 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.5 | -48.6 | 172.6 | 170.6 | 59.7 | 0 | 0 | 0 | 111.8 | D260 A266 I267 S268 I301 E304 V305 Y973 | D260-L264 WeakPolarHBondContact O-CB 3.29Å; D260-L264 PolarHBondContact O-N 3.19Å; L264-A266 VanDerWaalsContact C-N 3.33Å; L264-A266 PolarHBondContact O-N 3.4Å; L264-I267 WeakPolarHBondContact O-CG2 3.25Å; L264-S268 WeakPolarHBondContact O-CB 3.3Å; L264-S268 PolarHBondContact O-N 2.85Å; L264-I301 HydrophobicContact CB-CG2 4.06Å; L264-I301 HydrophobicContact CD1-CG2 4.19Å; L264-E304 HydrophobicContact CD1-CB 4.42Å; L264-E304 HydrophobicContact CD1-CG 4.32Å; L264-E304 WeakPolarHBondContact CD2-OE2 3.34Å; L264-V305 HydrophobicContact CD1-CG2 3.46Å; L264-V305 VanDerWaalsContact CD1-CG2 3.46Å; L264-Y973 VanDerWaalsContact CD2-OH 3.24Å; L264-Y973 WeakPolarHBondContact CD2-OH 3.27Å |
| 265 | T | 91.3 | Very high | 89.6 | Confident | 25 Ų | 25 | 41.4 Ų | 41.4 | 15% | 0.153 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 177.9 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | S261 Q262 M263 R269 | S261-T265 VanDerWaalsContact O-CB 3.28Å; S261-T265 WeakPolarHBondContact O-CB 3.39Å; S261-T265 PolarHBondContact O-N 3.18Å; S261-T265 PolarHBondContact O-OG1 2.85Å; Q262-T265 PolarHBondContact O-N 2.67Å; M263-T265 PolarHBondContact O-N 3.31Å; T265-R269 VanDerWaalsContact CG2-CZ 3.47Å; T265-R269 WeakPolarHBondContact O-CD 3.29Å; T265-R269 WeakPolarHBondContact O-CG 3.21Å; T265-R269 PolarHBondContact O-N 2.91Å; T265-R269 VanDerWaalsContact O-N 3.1Å |
| 266 | A | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.4 | -53 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F218 I221 Q262 M263 L264 S268 R269 M270 | F218-A266 HydrophobicContact CD2-CB 4.13Å; F218-A266 HydrophobicContact CE2-CB 3.37Å; F218-A266 HydrophobicContact CZ-CB 4Å; I221-A266 HydrophobicContact CD1-CB 3.85Å; I221-A266 HydrophobicContact CG1-CB 3.82Å; Q262-A266 WeakPolarHBondContact O-CB 3.28Å; Q262-A266 PolarHBondContact O-N 3.28Å; M263-A266 PolarHBondContact O-N 3.41Å; L264-A266 VanDerWaalsContact C-N 3.33Å; L264-A266 PolarHBondContact O-N 3.4Å; A266-S268 VanDerWaalsContact C-N 3.32Å; A266-S268 PolarHBondContact O-N 3.42Å; A266-R269 PolarHBondContact O-N 3.35Å; A266-M270 WeakPolarHBondContact O-CG 3.48Å; A266-M270 PolarHBondContact O-N 3.43Å |
| 267 | I | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.5 | -37.5 | 178.7 | -176.8 | 62.1 | 0 | 0 | 0 | 111.6 | M263 L264 R269 M270 I271 I286 L289 L290 L293 I301 V305 | M263-I267 WeakPolarHBondContact O-CG2 3.33Å; M263-I267 PolarHBondContact O-N 3.07Å; L264-I267 WeakPolarHBondContact O-CG2 3.25Å; I267-R269 VanDerWaalsContact C-N 3.33Å; I267-R269 PolarHBondContact O-N 3.47Å; I267-M270 PolarHBondContact O-N 3.45Å; I267-I271 HydrophobicContact CD1-CD1 4.27Å; I267-I271 HydrophobicContact CD1-CG1 4.38Å; I267-I271 HydrophobicContact CG1-CD1 4.05Å; I267-I271 WeakPolarHBondContact O-CG1 3.49Å; I267-I271 PolarHBondContact O-N 2.88Å; I267-I286 HydrophobicContact CD1-CG2 4.28Å; I267-L289 HydrophobicContact CB-CD2 4.16Å; I267-L289 HydrophobicContact CD1-CB 4.24Å; I267-L289 HydrophobicContact CD1-CD2 3.93Å; I267-L289 HydrophobicContact CD1-CG 4.13Å; I267-L290 HydrophobicContact CD1-CD2 3.88Å; I267-L290 HydrophobicContact CD1-CG 4.03Å; I267-L290 HydrophobicContact CG1-CD2 3.74Å; I267-L290 HydrophobicContact CG1-CG 4.45Å; I267-L293 HydrophobicContact CG2-CD1 4.47Å; I267-I301 HydrophobicContact CG2-CG2 4.18Å; I267-V305 HydrophobicContact CG1-CG1 4.27Å; I267-V305 HydrophobicContact CG2-CG1 4.44Å; I267-V305 HydrophobicContact CG2-CG2 3.52Å |
| 268 | S | 92.6 | Very high | 90.4 | Very high | 28 Ų | 28 | 32.4 Ų | 32.4 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.7 | -47.4 | 173.3 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | L264 A266 I271 D272 K309 | L264-S268 WeakPolarHBondContact O-CB 3.3Å; L264-S268 PolarHBondContact O-N 2.85Å; A266-S268 VanDerWaalsContact C-N 3.32Å; A266-S268 PolarHBondContact O-N 3.42Å; S268-I271 PolarHBondContact O-N 2.97Å; S268-D272 PolarHBondContact O-N 3.2Å; S268-K309 PolarHBondContact O-NZ 3.35Å; S268-K309 WeakPolarHBondContact OG-CE 3.37Å; S268-K309 PolarHBondContact OG-NZ 2.97Å |
| 269 | R | 92.5 | Very high | 90.2 | Very high | 36 Ų | 36 | 32.4 Ų | 32.4 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74.7 | -32 | 178.1 | -72.6 | 162.3 | 174.8 | -179.5 | -2.1 | 113.3 | I221 C223 T265 A266 I267 I271 D272 W273 | I221-R269 WeakPolarHBondContact O-CD 3.33Å; I221-R269 PolarHBondContact O-NH1 3.46Å; C223-R269 VanDerWaalsContact O-CZ 3.25Å; C223-R269 PolarHBondContact O-NH1 3.11Å; C223-R269 PolarHBondContact O-NH2 3.25Å; T265-R269 VanDerWaalsContact CG2-CZ 3.47Å; T265-R269 WeakPolarHBondContact O-CD 3.29Å; T265-R269 WeakPolarHBondContact O-CG 3.21Å; T265-R269 PolarHBondContact O-N 2.91Å; T265-R269 VanDerWaalsContact O-N 3.1Å; A266-R269 PolarHBondContact O-N 3.35Å; I267-R269 VanDerWaalsContact C-N 3.33Å; I267-R269 PolarHBondContact O-N 3.47Å; R269-I271 VanDerWaalsContact C-N 3.3Å; R269-I271 PolarHBondContact O-N 3.14Å; R269-D272 PolarHBondContact O-N 2.65Å; R269-W273 PolarHBondContact O-N 2.7Å |
| 270 | M | 93.9 | Very high | 89.9 | Confident | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 171.4 | -75 | 177.6 | 60.4 | 0 | 0 | 111.8 | I221 A266 I267 W273 W285 I286 L289 | I221-M270 HydrophobicContact CD1-CG 3.78Å; I221-M270 HydrophobicContact CD1-SD 3.91Å; A266-M270 WeakPolarHBondContact O-CG 3.48Å; A266-M270 PolarHBondContact O-N 3.43Å; I267-M270 PolarHBondContact O-N 3.45Å; M270-W273 HydrophobicContact CB-CE3 4.32Å; M270-W273 HydrophobicContact CG-CE3 4.02Å; M270-W273 HydrophobicContact CG-CH2 4.21Å; M270-W273 HydrophobicContact CG-CZ3 3.76Å; M270-W273 VanDerWaalsContact O-CB 3.26Å; M270-W273 WeakPolarHBondContact O-CB 3.33Å; M270-W273 PolarHBondContact O-N 3.14Å; M270-W285 HydrophobicContact CE-CB 4.18Å; M270-I286 HydrophobicContact CB-CG1 4.25Å; M270-I286 WeakPolarHBondContact O-CD1 3.42Å; M270-L289 HydrophobicContact CE-CD2 4.11Å; M270-L289 HydrophobicContact SD-CD2 3.6Å; M270-L289 VanDerWaalsContact SD-CD2 3.6Å |
| 271 | I | 94.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.6 | -33.3 | 175.7 | -69.7 | 162.7 | 0 | 0 | 0 | 111.8 | I267 S268 R269 W273 V274 I286 V305 K309 V313 | I267-I271 HydrophobicContact CD1-CD1 4.27Å; I267-I271 HydrophobicContact CD1-CG1 4.38Å; I267-I271 HydrophobicContact CG1-CD1 4.05Å; I267-I271 WeakPolarHBondContact O-CG1 3.49Å; I267-I271 PolarHBondContact O-N 2.88Å; S268-I271 PolarHBondContact O-N 2.97Å; R269-I271 VanDerWaalsContact C-N 3.3Å; R269-I271 PolarHBondContact O-N 3.14Å; I271-W273 PolarHBondContact O-N 3.18Å; I271-V274 WeakPolarHBondContact O-CB 3.48Å; I271-V274 VanDerWaalsContact O-CG2 3.28Å; I271-V274 WeakPolarHBondContact O-CG2 3.47Å; I271-V274 PolarHBondContact O-N 3.37Å; I271-V274 VanDerWaalsContact O-N 3.12Å; I271-I286 HydrophobicContact CD1-CG2 4.43Å; I271-I286 HydrophobicContact CG1-CD1 4.44Å; I271-I286 HydrophobicContact CG1-CG1 4.45Å; I271-I286 HydrophobicContact CG1-CG2 3.72Å; I271-V305 HydrophobicContact CD1-CG1 3.25Å; I271-K309 HydrophobicContact CG2-CB 3.9Å; I271-K309 HydrophobicContact CG2-CD 4.26Å; I271-K309 HydrophobicContact CG2-CG 4.2Å; I271-V313 HydrophobicContact CG2-CG2 3.43Å; I271-V313 VanDerWaalsContact CG2-CG2 3.43Å |
| 272 | D | 92.1 | Very high | 90.1 | Very high | 53 Ų | 53 | 32 Ų | 32 | 28% | 0.283 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.5 | -27 | 173.6 | -62.7 | -39.8 | 0 | 0 | 0 | 112.2 | S268 R269 V274 S275 K309 | S268-D272 PolarHBondContact O-N 3.2Å; R269-D272 PolarHBondContact O-N 2.65Å; D272-V274 PolarHBondContact O-N 3.15Å; D272-S275 VanDerWaalsContact O-CB 3.29Å; D272-S275 WeakPolarHBondContact O-CB 3.38Å; D272-S275 PolarHBondContact O-N 2.88Å; D272-S275 PolarHBondContact O-OG 3.09Å; D272-K309 IonicContact OD1-NZ 3.08Å; D272-K309 PolarHBondContact OD1-NZ 2.91Å; D272-K309 IonicContact OD2-NZ 3.88Å; D272-K309 PolarHBondContact OD2-NZ 2.94Å |
| 273 | W | 93.3 | Very high | 90.2 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -64.7 | -13.2 | 175.2 | -62.5 | -13.2 | 0 | 0 | 0 | 114.6 | L217 I221 L233 A234 V237 R269 M270 I271 S275 W276 I282 | L217-W273 HydrophobicContact CD1-CH2 4.36Å; L217-W273 HydrophobicContact CD2-CH2 4.09Å; L217-W273 HydrophobicContact CG-CH2 4.38Å; I221-W273 HydrophobicContact CD1-CH2 4.35Å; I221-W273 HydrophobicContact CG2-CH2 3.96Å; I221-W273 HydrophobicContact CG2-CZ2 3.54Å; L233-W273 HydrophobicContact CB-CH2 4.2Å; L233-W273 HydrophobicContact CB-CZ2 3.42Å; L233-W273 VanDerWaalsContact CB-CZ2 3.42Å; L233-W273 HydrophobicContact CD1-CZ2 4.26Å; L233-W273 HydrophobicContact CG-CZ2 4.49Å; A234-W273 HydrophobicContact CB-CB 3.76Å; A234-W273 HydrophobicContact CB-CD2 4.1Å; A234-W273 HydrophobicContact CB-CG 3.74Å; V237-W273 HydrophobicContact CG1-CH2 4.39Å; V237-W273 HydrophobicContact CG1-CZ3 3.76Å; V237-W273 HydrophobicContact CG2-CE3 4.25Å; V237-W273 HydrophobicContact CG2-CZ3 4.24Å; R269-W273 PolarHBondContact O-N 2.7Å; M270-W273 HydrophobicContact CB-CE3 4.32Å; M270-W273 HydrophobicContact CG-CE3 4.02Å; M270-W273 HydrophobicContact CG-CH2 4.21Å; M270-W273 HydrophobicContact CG-CZ3 3.76Å; M270-W273 VanDerWaalsContact O-CB 3.26Å; M270-W273 WeakPolarHBondContact O-CB 3.33Å; M270-W273 PolarHBondContact O-N 3.14Å; I271-W273 PolarHBondContact O-N 3.18Å; W273-S275 PolarHBondContact O-N 3.19Å; W273-S275 VanDerWaalsContact O-N 3.11Å; W273-W276 VanDerWaalsContact O-CB 3.29Å; W273-W276 WeakPolarHBondContact O-CB 3.35Å; W273-W276 PolarHBondContact O-N 2.97Å; W273-I282 HydrophobicContact CB-CD1 4.4Å; W273-I282 HydrophobicContact CB-CG2 3.96Å |
| 274 | V | 91.6 | Very high | 90.2 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -56.4 | -22.6 | 166.3 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | I271 D272 W276 I286 K316 V322 A326 V329 | I271-V274 WeakPolarHBondContact O-CB 3.48Å; I271-V274 VanDerWaalsContact O-CG2 3.28Å; I271-V274 WeakPolarHBondContact O-CG2 3.47Å; I271-V274 PolarHBondContact O-N 3.37Å; I271-V274 VanDerWaalsContact O-N 3.12Å; D272-V274 PolarHBondContact O-N 3.15Å; V274-W276 VanDerWaalsContact C-N 3.27Å; V274-W276 PolarHBondContact O-N 3.24Å; V274-I286 HydrophobicContact CG2-CD1 3.49Å; V274-I286 VanDerWaalsContact CG2-CD1 3.49Å; V274-K316 HydrophobicContact CG1-CB 4.4Å; V274-K316 HydrophobicContact CG1-CG 4.36Å; V274-V322 WeakPolarHBondContact O-CB 3.49Å; V274-V322 WeakPolarHBondContact O-CG1 3.22Å; V274-A326 HydrophobicContact CG1-CB 3.6Å; V274-V329 HydrophobicContact CG2-CG2 4.24Å |
| 275 | S | 89 | Confident | 90.3 | Very high | 48 Ų | 48 | 33.6 Ų | 33.6 | 34% | 0.336 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -74.9 | -4 | 173.6 | -53.1 | 0 | 0 | 0 | 0 | 115 | D272 W273 P277 K316 | D272-S275 VanDerWaalsContact O-CB 3.29Å; D272-S275 WeakPolarHBondContact O-CB 3.38Å; D272-S275 PolarHBondContact O-N 2.88Å; D272-S275 PolarHBondContact O-OG 3.09Å; W273-S275 PolarHBondContact O-N 3.19Å; W273-S275 VanDerWaalsContact O-N 3.11Å; S275-P277 WeakPolarHBondContact O-CD 3.06Å; S275-K316 VanDerWaalsContact OG-CE 3.23Å; S275-K316 WeakPolarHBondContact OG-CE 3.42Å; S275-K316 PolarHBondContact OG-NZ 3.25Å |
| 276 | W | 90.4 | Very high | 90.4 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 6% | 0.057 | 17% | 0.171 | C | C | . | . | trans | -86.5 | 111.3 | -173.5 | -173.6 | -103.8 | 0 | 0 | 0 | 112.6 | F188 L189 A192 A232 A234 W273 V274 L278 G279 I282 | F188-W276 HydrophobicContact CE1-CH2 4.16Å; F188-W276 HydrophobicContact CE1-CZ3 4.08Å; L189-W276 HydrophobicContact CD2-CD2 4.38Å; L189-W276 HydrophobicContact CD2-CE3 4.2Å; L189-W276 HydrophobicContact CD2-CH2 3.54Å; L189-W276 HydrophobicContact CD2-CZ2 3.72Å; L189-W276 HydrophobicContact CD2-CZ3 3.8Å; A192-W276 HydrophobicContact CB-CH2 3.77Å; A192-W276 HydrophobicContact CB-CZ2 3.87Å; A232-W276 HydrophobicContact CB-CH2 3.89Å; A232-W276 HydrophobicContact CB-CZ3 4.13Å; A234-W276 HydrophobicContact CB-CB 3.52Å; A234-W276 HydrophobicContact CB-CD2 4.03Å; A234-W276 HydrophobicContact CB-CG 3.46Å; A234-W276 VanDerWaalsContact CB-CG 3.46Å; W273-W276 VanDerWaalsContact O-CB 3.29Å; W273-W276 WeakPolarHBondContact O-CB 3.35Å; W273-W276 PolarHBondContact O-N 2.97Å; V274-W276 VanDerWaalsContact C-N 3.27Å; V274-W276 PolarHBondContact O-N 3.24Å; W276-L278 VanDerWaalsContact C-N 3.31Å; W276-L278 PolarHBondContact O-N 3.49Å; W276-L278 VanDerWaalsContact O-N 3.17Å; W276-G279 PolarHBondContact O-N 2.74Å; W276-I282 HydrophobicContact CB-CD1 4.26Å | ||
| 277 | P | 85.2 | Confident | 90.4 | Very high | 51 Ų | 51 | 33.7 Ų | 33.7 | 33% | 0.331 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.4 | -168 | -23.8 | 35.4 | 0 | 0 | 0 | 115.5 | L189 S275 G279 I321 | L189-P277 HydrophobicContact CD1-CG 4.35Å; S275-P277 WeakPolarHBondContact O-CD 3.06Å; P277-G279 VanDerWaalsContact C-N 3.31Å; P277-I321 HydrophobicContact CB-CG2 4.05Å; P277-I321 WeakPolarHBondContact O-CG2 3.31Å |
| 278 | L | 84 | Confident | 90.3 | Very high | 70 Ų | 70 | 34.3 Ų | 34.3 | 37% | 0.366 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 8.4 | 179.5 | -58 | -179.1 | 0 | 0 | 0 | 112.8 | L189 Q193 Q238 W276 K280 | L189-L278 HydrophobicContact CB-CD1 4.18Å; Q193-L278 HydrophobicContact CB-CD1 4.07Å; Q193-L278 HydrophobicContact CG-CD1 4.21Å; Q238-L278 PolarHBondContact OE1-O 3.38Å; W276-L278 VanDerWaalsContact C-N 3.31Å; W276-L278 PolarHBondContact O-N 3.49Å; W276-L278 VanDerWaalsContact O-N 3.17Å; L278-K280 PolarHBondContact O-N 2.87Å |
| 279 | G | 80.3 | Confident | 90.3 | Very high | 24 Ų | 24 | 33.1 Ų | 33.1 | 25% | 0.247 | 17% | 0.174 | C | C | . | . | trans | -76.8 | 117.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | W276 P277 I282 | W276-G279 PolarHBondContact O-N 2.74Å; P277-G279 VanDerWaalsContact C-N 3.31Å; G279-I282 VanDerWaalsContact CA-CD1 3.45Å | ||
| 280 | K | 82.9 | Confident | 90.3 | Very high | 146 Ų | 146 | 31.6 Ų | 31.6 | 64% | 0.635 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -106.7 | 138.9 | 171.1 | -60.2 | -170.1 | 178.8 | -171.1 | 0 | 110.9 | Q238 L278 I282 | Q238-K280 WeakPolarHBondContact CA-O 3.31Å; Q238-K280 HydrophobicContact CB-CB 4.17Å; L278-K280 PolarHBondContact O-N 2.87Å; K280-I282 PolarHBondContact O-N 3.1Å; K280-I282 VanDerWaalsContact O-N 3.15Å |
| 281 | N | 87.8 | Confident | 90.1 | Very high | 49 Ų | 49 | 35.6 Ų | 35.6 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 59.6 | 13 | 180 | -51.9 | -61.7 | 0 | 0 | 0 | 115.9 | L242 D283 K284 W285 | L242-N281 HydrophobicContact CD2-CB 4.15Å; N281-D283 VanDerWaalsContact C-N 3.27Å; N281-D283 VanDerWaalsContact CA-OD1 3.22Å; N281-D283 WeakPolarHBondContact CA-OD1 3.43Å; N281-D283 PolarHBondContact O-N 3Å; N281-K284 HydrophobicContact CB-CB 4.47Å; N281-K284 HydrophobicContact CB-CD 4.12Å; N281-K284 HydrophobicContact CB-CG 4.49Å; N281-K284 WeakPolarHBondContact O-CB 3.19Å; N281-K284 PolarHBondContact O-N 2.84Å; N281-K284 VanDerWaalsContact O-N 3.11Å; N281-K284 WeakPolarHBondContact OD1-CE 3.09Å; N281-K284 PolarHBondContact OD1-NZ 2.76Å; N281-W285 VanDerWaalsContact O-CD1 3.3Å; N281-W285 PolarHBondContact O-N 3.18Å |
| 282 | I | 91.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.8 | -41.6 | 179.2 | -62.2 | -176.8 | 0 | 0 | 0 | 110.6 | A234 V237 W273 W276 G279 K280 K284 W285 I286 | A234-I282 HydrophobicContact CB-CD1 3.8Å; V237-I282 HydrophobicContact CG2-CG1 4.02Å; W273-I282 HydrophobicContact CB-CD1 4.4Å; W273-I282 HydrophobicContact CB-CG2 3.96Å; W276-I282 HydrophobicContact CB-CD1 4.26Å; G279-I282 VanDerWaalsContact CA-CD1 3.45Å; K280-I282 PolarHBondContact O-N 3.1Å; K280-I282 VanDerWaalsContact O-N 3.15Å; I282-K284 VanDerWaalsContact C-N 3.29Å; I282-K284 PolarHBondContact O-N 3.26Å; I282-W285 PolarHBondContact O-N 2.9Å; I282-I286 HydrophobicContact CG2-CD1 3.78Å; I282-I286 HydrophobicContact CG2-CG1 4.4Å; I282-I286 WeakPolarHBondContact O-CG1 3.33Å; I282-I286 PolarHBondContact O-N 3.39Å |
| 283 | D | 92.6 | Very high | 89.6 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 14% | 0.139 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -49.7 | -46.9 | 171.1 | 60.1 | -50.8 | 0 | 0 | 0 | 112.3 | N281 I286 I287 A325 V329 | N281-D283 VanDerWaalsContact C-N 3.27Å; N281-D283 VanDerWaalsContact CA-OD1 3.22Å; N281-D283 WeakPolarHBondContact CA-OD1 3.43Å; N281-D283 PolarHBondContact O-N 3Å; D283-I286 PolarHBondContact O-N 2.7Å; D283-I287 WeakPolarHBondContact O-CB 3.49Å; D283-I287 WeakPolarHBondContact O-CD1 3.47Å; D283-I287 VanDerWaalsContact O-CG1 3.23Å; D283-I287 WeakPolarHBondContact O-CG1 3.48Å; D283-I287 PolarHBondContact O-N 3.19Å; D283-A325 HydrophobicContact CB-CB 4.1Å; D283-V329 HydrophobicContact CB-CG2 4.03Å |
| 284 | K | 92.4 | Very high | 89.2 | Confident | 86 Ų | 86 | 33.9 Ų | 33.9 | 37% | 0.374 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.3 | -43 | -179.2 | -58.4 | 179.2 | -173 | 163.8 | 0 | 111.8 | L242 M245 N281 I282 I287 A288 | L242-K284 HydrophobicContact CD1-CD 4.18Å; L242-K284 HydrophobicContact CD2-CD 4.36Å; M245-K284 HydrophobicContact SD-CB 4.21Å; N281-K284 HydrophobicContact CB-CB 4.47Å; N281-K284 HydrophobicContact CB-CD 4.12Å; N281-K284 HydrophobicContact CB-CG 4.49Å; N281-K284 WeakPolarHBondContact O-CB 3.19Å; N281-K284 PolarHBondContact O-N 2.84Å; N281-K284 VanDerWaalsContact O-N 3.11Å; N281-K284 WeakPolarHBondContact OD1-CE 3.09Å; N281-K284 PolarHBondContact OD1-NZ 2.76Å; I282-K284 VanDerWaalsContact C-N 3.29Å; I282-K284 PolarHBondContact O-N 3.26Å; K284-I287 PolarHBondContact O-N 2.43Å; K284-A288 WeakPolarHBondContact O-CB 3.45Å; K284-A288 PolarHBondContact O-N 3.17Å |
| 285 | W | 92.3 | Very high | 88.9 | Confident | 13 Ų | 13 | 37.7 Ų | 37.7 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.8 | -36.4 | 176.6 | -75.5 | 100.2 | 0 | 0 | 0 | 112.7 | L240 M245 V248 M270 N281 I282 L289 | L240-W285 HydrophobicContact CB-CH2 4.3Å; L240-W285 HydrophobicContact CB-CZ2 3.48Å; L240-W285 VanDerWaalsContact CB-CZ2 3.48Å; L240-W285 HydrophobicContact CD1-CD2 4.47Å; L240-W285 HydrophobicContact CD1-CH2 3.96Å; L240-W285 HydrophobicContact CD1-CZ2 3.61Å; L240-W285 HydrophobicContact CG-CZ2 4.2Å; M245-W285 HydrophobicContact CB-CE3 4.49Å; M245-W285 HydrophobicContact CB-CH2 3.86Å; M245-W285 HydrophobicContact CB-CZ2 4.18Å; M245-W285 HydrophobicContact CB-CZ3 4.04Å; M245-W285 HydrophobicContact CG-CD2 4.18Å; M245-W285 HydrophobicContact CG-CE3 3.87Å; M245-W285 HydrophobicContact CG-CH2 4.14Å; M245-W285 HydrophobicContact CG-CZ2 4.42Å; M245-W285 HydrophobicContact CG-CZ3 3.87Å; M245-W285 HydrophobicContact SD-CD2 4.48Å; V248-W285 HydrophobicContact CB-CZ3 4.26Å; V248-W285 HydrophobicContact CG1-CZ3 4.19Å; M270-W285 HydrophobicContact CE-CB 4.18Å; N281-W285 VanDerWaalsContact O-CD1 3.3Å; N281-W285 PolarHBondContact O-N 3.18Å; I282-W285 PolarHBondContact O-N 2.9Å; W285-L289 PolarHBondContact O-N 2.95Å |
| 286 | I | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.1 | -55.3 | 172.8 | -67.7 | 162.1 | 0 | 0 | 0 | 110.2 | I267 M270 I271 V274 I282 D283 A288 L289 L290 V329 | I267-I286 HydrophobicContact CD1-CG2 4.28Å; M270-I286 HydrophobicContact CB-CG1 4.25Å; M270-I286 WeakPolarHBondContact O-CD1 3.42Å; I271-I286 HydrophobicContact CD1-CG2 4.43Å; I271-I286 HydrophobicContact CG1-CD1 4.44Å; I271-I286 HydrophobicContact CG1-CG1 4.45Å; I271-I286 HydrophobicContact CG1-CG2 3.72Å; V274-I286 HydrophobicContact CG2-CD1 3.49Å; V274-I286 VanDerWaalsContact CG2-CD1 3.49Å; I282-I286 HydrophobicContact CG2-CD1 3.78Å; I282-I286 HydrophobicContact CG2-CG1 4.4Å; I282-I286 WeakPolarHBondContact O-CG1 3.33Å; I282-I286 PolarHBondContact O-N 3.39Å; D283-I286 PolarHBondContact O-N 2.7Å; I286-A288 VanDerWaalsContact C-N 3.31Å; I286-A288 PolarHBondContact O-N 2.04Å; I286-L289 PolarHBondContact O-N 3.29Å; I286-L289 VanDerWaalsContact O-N 3.16Å; I286-L290 HydrophobicContact CG2-CD1 3.84Å; I286-L290 HydrophobicContact CG2-CG 4.35Å; I286-L290 WeakPolarHBondContact O-CG 3.5Å; I286-L290 PolarHBondContact O-N 3.33Å; I286-V329 HydrophobicContact CB-CG2 4.19Å; I286-V329 HydrophobicContact CD1-CG2 3.93Å; I286-V329 HydrophobicContact CG2-CG1 4Å; I286-V329 HydrophobicContact CG2-CG2 4.06Å |
| 287 | I | 92.9 | Very high | 88.2 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | -176.1 | -68.1 | 165.8 | 0 | 0 | 0 | 110.8 | D283 K284 L290 K291 S328 V329 Y332 | D283-I287 WeakPolarHBondContact O-CB 3.49Å; D283-I287 WeakPolarHBondContact O-CD1 3.47Å; D283-I287 VanDerWaalsContact O-CG1 3.23Å; D283-I287 WeakPolarHBondContact O-CG1 3.48Å; D283-I287 PolarHBondContact O-N 3.19Å; K284-I287 PolarHBondContact O-N 2.43Å; I287-L290 PolarHBondContact O-N 3.36Å; I287-K291 HydrophobicContact CG2-CD 4.25Å; I287-K291 HydrophobicContact CG2-CG 4.46Å; I287-K291 WeakPolarHBondContact O-CB 3.31Å; I287-K291 WeakPolarHBondContact O-CG 3.35Å; I287-K291 PolarHBondContact O-N 2.21Å; I287-S328 WeakPolarHBondContact CD1-OG 3.44Å; I287-V329 HydrophobicContact CD1-CG2 4.49Å; I287-V329 HydrophobicContact CG1-CG2 4.42Å; I287-Y332 HydrophobicContact CB-CD1 4.36Å; I287-Y332 HydrophobicContact CB-CG 4.44Å; I287-Y332 HydrophobicContact CG1-CD1 4.05Å; I287-Y332 HydrophobicContact CG1-CG 4.01Å; I287-Y332 HydrophobicContact CG2-CD1 3.99Å; I287-Y332 HydrophobicContact CG2-CD2 3.93Å; I287-Y332 HydrophobicContact CG2-CE1 4.3Å; I287-Y332 HydrophobicContact CG2-CE2 4.27Å; I287-Y332 HydrophobicContact CG2-CG 3.8Å |
| 288 | A | 91.8 | Very high | 88 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | M245 V249 K284 I286 L290 K291 G292 | M245-A288 HydrophobicContact CE-CB 3.83Å; M245-A288 HydrophobicContact CG-CB 3.68Å; M245-A288 HydrophobicContact SD-CB 3.55Å; M245-A288 VanDerWaalsContact SD-CB 3.55Å; V249-A288 WeakPolarHBondContact CG1-O 3.39Å; V249-A288 HydrophobicContact CG2-CB 4.06Å; K284-A288 WeakPolarHBondContact O-CB 3.45Å; K284-A288 PolarHBondContact O-N 3.17Å; I286-A288 VanDerWaalsContact C-N 3.31Å; I286-A288 PolarHBondContact O-N 2.04Å; A288-L290 PolarHBondContact O-N 2.46Å; A288-K291 PolarHBondContact O-N 3.4Å; A288-G292 PolarHBondContact O-N 3.45Å |
| 289 | L | 92.2 | Very high | 87.9 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -39.1 | 176.5 | -177.5 | 55.3 | 0 | 0 | 0 | 112.1 | V249 L252 I267 M270 W285 I286 G292 L293 | V249-L289 HydrophobicContact CG1-CD1 4.44Å; V249-L289 HydrophobicContact CG2-CB 4.5Å; L252-L289 HydrophobicContact CD2-CD1 3.96Å; L252-L289 HydrophobicContact CD2-CD2 4.39Å; I267-L289 HydrophobicContact CB-CD2 4.16Å; I267-L289 HydrophobicContact CD1-CB 4.24Å; I267-L289 HydrophobicContact CD1-CD2 3.93Å; I267-L289 HydrophobicContact CD1-CG 4.13Å; M270-L289 HydrophobicContact CE-CD2 4.11Å; M270-L289 HydrophobicContact SD-CD2 3.6Å; M270-L289 VanDerWaalsContact SD-CD2 3.6Å; W285-L289 PolarHBondContact O-N 2.95Å; I286-L289 PolarHBondContact O-N 3.29Å; I286-L289 VanDerWaalsContact O-N 3.16Å; L289-G292 PolarHBondContact O-N 3.4Å; L289-L293 HydrophobicContact CD1-CG 4.34Å; L289-L293 HydrophobicContact CG-CD1 4.36Å; L289-L293 WeakPolarHBondContact O-CG 3.32Å; L289-L293 PolarHBondContact O-N 2.77Å |
| 290 | L | 92.1 | Very high | 87.9 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 173.5 | -63.2 | 170.4 | 0 | 0 | 0 | 111.8 | I267 I286 I287 A288 L293 A294 L302 Y332 M333 | I267-L290 HydrophobicContact CD1-CD2 3.88Å; I267-L290 HydrophobicContact CD1-CG 4.03Å; I267-L290 HydrophobicContact CG1-CD2 3.74Å; I267-L290 HydrophobicContact CG1-CG 4.45Å; I286-L290 HydrophobicContact CG2-CD1 3.84Å; I286-L290 HydrophobicContact CG2-CG 4.35Å; I286-L290 WeakPolarHBondContact O-CG 3.5Å; I286-L290 PolarHBondContact O-N 3.33Å; I287-L290 PolarHBondContact O-N 3.36Å; A288-L290 PolarHBondContact O-N 2.46Å; L290-L293 PolarHBondContact O-N 3.38Å; L290-A294 WeakPolarHBondContact O-CB 3.46Å; L290-A294 PolarHBondContact O-N 3.32Å; L290-L302 HydrophobicContact CB-CD2 4.07Å; L290-L302 HydrophobicContact CD2-CD2 3.47Å; L290-L302 VanDerWaalsContact CD2-CD2 3.47Å; L290-L302 HydrophobicContact CG-CD2 4.39Å; L290-Y332 HydrophobicContact CB-CD1 4.27Å; L290-Y332 HydrophobicContact CB-CE1 3.56Å; L290-Y332 HydrophobicContact CD1-CD1 3.85Å; L290-Y332 HydrophobicContact CD1-CE1 3.97Å; L290-Y332 HydrophobicContact CG-CE1 4.43Å; L290-M333 HydrophobicContact CD1-CG 4.4Å |
| 291 | K | 89.2 | Confident | 88.1 | Confident | 98 Ų | 98 | 37.8 Ų | 37.8 | 43% | 0.426 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 172.5 | -76.1 | -172.9 | 177.8 | -157.5 | 0 | 111.8 | I287 A288 A294 A295 Y332 D416 | I287-K291 HydrophobicContact CG2-CD 4.25Å; I287-K291 HydrophobicContact CG2-CG 4.46Å; I287-K291 WeakPolarHBondContact O-CB 3.31Å; I287-K291 WeakPolarHBondContact O-CG 3.35Å; I287-K291 PolarHBondContact O-N 2.21Å; A288-K291 PolarHBondContact O-N 3.4Å; K291-A294 PolarHBondContact O-N 3.49Å; K291-A295 PolarHBondContact O-N 3.09Å; K291-Y332 HydrophobicContact CD-CE2 4.2Å; K291-Y332 HydrophobicContact CG-CE1 4.41Å; K291-Y332 HydrophobicContact CG-CE2 3.94Å; K291-Y332 WeakPolarHBondContact CG-OH 3.44Å; K291-D416 IonicContact NZ-OD1 2.75Å; K291-D416 PolarHBondContact NZ-OD1 3.39Å |
| 292 | G | 87.8 | Confident | 88 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 11% | 0.113 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -48.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A288 L289 A294 A295 V296 | A288-G292 PolarHBondContact O-N 3.45Å; L289-G292 PolarHBondContact O-N 3.4Å; G292-A294 VanDerWaalsContact C-N 3.28Å; G292-A294 PolarHBondContact O-N 3.02Å; G292-A295 WeakPolarHBondContact O-CB 3.48Å; G292-A295 PolarHBondContact O-N 3.02Å; G292-A295 VanDerWaalsContact O-N 3.16Å; G292-V296 WeakPolarHBondContact O-CG2 3.5Å; G292-V296 PolarHBondContact O-N 2.77Å; G292-V296 VanDerWaalsContact O-N 3.11Å |
| 293 | L | 88.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -34.1 | 176.3 | -69.9 | 172.7 | 0 | 0 | 0 | 112.7 | M263 I267 L289 L290 K297 K298 I301 L302 | M263-L293 HydrophobicContact CG-CD1 4.42Å; M263-L293 HydrophobicContact CG-CD2 3.63Å; M263-L293 HydrophobicContact SD-CD2 4.1Å; I267-L293 HydrophobicContact CG2-CD1 4.47Å; L289-L293 HydrophobicContact CD1-CG 4.34Å; L289-L293 HydrophobicContact CG-CD1 4.36Å; L289-L293 WeakPolarHBondContact O-CG 3.32Å; L289-L293 PolarHBondContact O-N 2.77Å; L290-L293 PolarHBondContact O-N 3.38Å; L293-K297 PolarHBondContact O-N 3.07Å; L293-K298 HydrophobicContact CB-CB 4.41Å; L293-K298 HydrophobicContact CD2-CB 4.15Å; L293-K298 HydrophobicContact CD2-CG 4.44Å; L293-K298 PolarHBondContact O-N 3.12Å; L293-I301 HydrophobicContact CD1-CG2 4.31Å; L293-L302 HydrophobicContact CB-CD1 4.24Å; L293-L302 HydrophobicContact CB-CD2 3.89Å; L293-L302 HydrophobicContact CB-CG 4.06Å; L293-L302 HydrophobicContact CD1-CD2 4.26Å |
| 294 | A | 85 | Confident | 87.1 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69 | -41.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L290 K291 G292 V296 K297 L302 W418 | L290-A294 WeakPolarHBondContact O-CB 3.46Å; L290-A294 PolarHBondContact O-N 3.32Å; K291-A294 PolarHBondContact O-N 3.49Å; G292-A294 VanDerWaalsContact C-N 3.28Å; G292-A294 PolarHBondContact O-N 3.02Å; A294-V296 VanDerWaalsContact C-N 3.31Å; A294-V296 PolarHBondContact O-N 3.24Å; A294-K297 PolarHBondContact O-N 2.91Å; A294-L302 HydrophobicContact CB-CD1 3.86Å; A294-W418 HydrophobicContact CB-CG 4.42Å |
| 295 | A | 84.6 | Confident | 87.1 | Confident | 85 Ų | 85 | 35 Ų | 35 | 70% | 0.702 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -62.2 | -34.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K291 G292 K297 | K291-A295 PolarHBondContact O-N 3.09Å; G292-A295 WeakPolarHBondContact O-CB 3.48Å; G292-A295 PolarHBondContact O-N 3.02Å; G292-A295 VanDerWaalsContact O-N 3.16Å; A295-K297 VanDerWaalsContact C-N 3.29Å; A295-K297 PolarHBondContact O-N 3.14Å |
| 296 | V | 83.8 | Confident | 87 | Confident | 47 Ų | 47 | 34.5 Ų | 34.5 | 29% | 0.285 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 17.5 | 172.9 | -59.8 | 0 | 0 | 0 | 0 | 114.1 | N254 G292 A294 K298 | N254-V296 VanDerWaalsContact OD1-CG1 3.25Å; N254-V296 WeakPolarHBondContact OD1-CG1 3.46Å; G292-V296 WeakPolarHBondContact O-CG2 3.5Å; G292-V296 PolarHBondContact O-N 2.77Å; G292-V296 VanDerWaalsContact O-N 3.11Å; A294-V296 VanDerWaalsContact C-N 3.31Å; A294-V296 PolarHBondContact O-N 3.24Å; V296-K298 HydrophobicContact CG2-CB 4.23Å; V296-K298 HydrophobicContact CG2-CG 3.6Å; V296-K298 PolarHBondContact O-N 3.13Å; V296-K298 VanDerWaalsContact O-N 3.12Å |
| 297 | K | 82.1 | Confident | 86.6 | Confident | 93 Ų | 93 | 36.6 Ų | 36.6 | 40% | 0.404 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 25.4 | 178.8 | -65.3 | -166.3 | 168.8 | -165.8 | 0 | 115.4 | L293 A294 A295 F299 E424 | L293-K297 PolarHBondContact O-N 3.07Å; A294-K297 PolarHBondContact O-N 2.91Å; A295-K297 VanDerWaalsContact C-N 3.29Å; A295-K297 PolarHBondContact O-N 3.14Å; K297-F299 HydrophobicContact CB-CD2 4.22Å; K297-F299 HydrophobicContact CB-CE2 3.7Å; K297-F299 HydrophobicContact CB-CZ 4.23Å; K297-F299 HydrophobicContact CD-CE2 4.36Å; K297-F299 HydrophobicContact CG-CE2 3.82Å; K297-F299 HydrophobicContact CG-CZ 4.12Å; K297-F299 WeakPolarHBondContact O-CD2 3.28Å; K297-F299 PolarHBondContact O-N 3.47Å; K297-E424 IonicContact NZ-OE1 2.84Å; K297-E424 IonicContact NZ-OE2 2.74Å; K297-E424 PolarHBondContact NZ-OE2 3.07Å |
| 298 | K | 81.4 | Confident | 86.5 | Confident | 74 Ų | 74 | 38.8 Ų | 38.8 | 32% | 0.322 | 22% | 0.22 | S | C | . | . | trans | -78.9 | 48.8 | 180 | -69.8 | -81.2 | 175.9 | 167.7 | 0 | 112.5 | D260 L293 V296 S300 I301 L302 | D260-K298 IonicContact OD1-NZ 3.97Å; D260-K298 PolarHBondContact OD1-NZ 3.26Å; D260-K298 IonicContact OD2-NZ 3.27Å; D260-K298 PolarHBondContact OD2-NZ 3.22Å; L293-K298 HydrophobicContact CB-CB 4.41Å; L293-K298 HydrophobicContact CD2-CB 4.15Å; L293-K298 HydrophobicContact CD2-CG 4.44Å; L293-K298 PolarHBondContact O-N 3.12Å; V296-K298 HydrophobicContact CG2-CB 4.23Å; V296-K298 HydrophobicContact CG2-CG 3.6Å; V296-K298 PolarHBondContact O-N 3.13Å; V296-K298 VanDerWaalsContact O-N 3.12Å; K298-S300 VanDerWaalsContact C-N 3.34Å; K298-S300 PolarHBondContact O-N 2.83Å; K298-I301 HydrophobicContact CB-CD1 4.24Å; K298-I301 HydrophobicContact CD-CD1 4.26Å; K298-I301 PolarHBondContact O-N 3.45Å; K298-L302 PolarHBondContact O-N 2.9Å | ||
| 299 | F | 81.9 | Confident | 86.6 | Confident | 38 Ų | 38 | 38.7 Ų | 38.7 | 17% | 0.167 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -34.8 | -170.4 | -59.2 | -59.4 | 0 | 0 | 0 | 114 | K297 I301 L302 I303 W418 | K297-F299 HydrophobicContact CB-CD2 4.22Å; K297-F299 HydrophobicContact CB-CE2 3.7Å; K297-F299 HydrophobicContact CB-CZ 4.23Å; K297-F299 HydrophobicContact CD-CE2 4.36Å; K297-F299 HydrophobicContact CG-CE2 3.82Å; K297-F299 HydrophobicContact CG-CZ 4.12Å; K297-F299 WeakPolarHBondContact O-CD2 3.28Å; K297-F299 PolarHBondContact O-N 3.47Å; F299-I301 VanDerWaalsContact C-N 3.3Å; F299-I301 PolarHBondContact O-N 2.86Å; F299-L302 HydrophobicContact CD1-CD1 4.14Å; F299-L302 WeakPolarHBondContact O-CB 3.48Å; F299-L302 PolarHBondContact O-N 3.13Å; F299-L302 VanDerWaalsContact O-N 3.14Å; F299-I303 WeakPolarHBondContact O-CB 3.37Å; F299-I303 VanDerWaalsContact O-CG1 3.24Å; F299-I303 WeakPolarHBondContact O-CG1 3.37Å; F299-I303 PolarHBondContact O-N 3.08Å; F299-W418 HydrophobicContact CD1-CD2 4.44Å; F299-W418 HydrophobicContact CD1-CE3 4.26Å; F299-W418 HydrophobicContact CE1-CB 4.01Å; F299-W418 HydrophobicContact CE1-CG 4.31Å |
| 300 | S | 79.1 | Confident | 86.8 | Confident | 95 Ų | 95 | 38.5 Ų | 38.5 | 66% | 0.664 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -57.3 | -42.3 | 178 | -46.9 | 0 | 0 | 0 | 0 | 112.6 | K298 I303 E304 | K298-S300 VanDerWaalsContact C-N 3.34Å; K298-S300 PolarHBondContact O-N 2.83Å; S300-I303 PolarHBondContact O-N 3.32Å; S300-E304 PolarHBondContact O-N 3.4Å |
| 301 | I | 86.4 | Confident | 86.9 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 176.4 | -57.8 | 179 | 0 | 0 | 0 | 109.5 | D260 M263 L264 I267 L293 K298 F299 I303 E304 V305 | D260-I301 HydrophobicContact CB-CD1 3.86Å; D260-I301 HydrophobicContact CB-CG1 4.4Å; M263-I301 HydrophobicContact CB-CD1 4.08Å; M263-I301 HydrophobicContact CG-CD1 4.12Å; L264-I301 HydrophobicContact CB-CG2 4.06Å; L264-I301 HydrophobicContact CD1-CG2 4.19Å; I267-I301 HydrophobicContact CG2-CG2 4.18Å; L293-I301 HydrophobicContact CD1-CG2 4.31Å; K298-I301 HydrophobicContact CB-CD1 4.24Å; K298-I301 HydrophobicContact CD-CD1 4.26Å; K298-I301 PolarHBondContact O-N 3.45Å; F299-I301 VanDerWaalsContact C-N 3.3Å; F299-I301 PolarHBondContact O-N 2.86Å; I301-I303 PolarHBondContact O-N 3Å; I301-E304 PolarHBondContact O-N 3Å; I301-V305 HydrophobicContact CG2-CG2 4.05Å; I301-V305 VanDerWaalsContact O-CB 3.28Å; I301-V305 WeakPolarHBondContact O-CB 3.33Å; I301-V305 WeakPolarHBondContact O-CG2 3.45Å; I301-V305 PolarHBondContact O-N 3.16Å |
| 302 | L | 86.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -35.4 | 179.9 | -68.4 | 171.4 | 0 | 0 | 0 | 112.8 | L290 L293 A294 K298 F299 S306 W418 | L290-L302 HydrophobicContact CB-CD2 4.07Å; L290-L302 HydrophobicContact CD2-CD2 3.47Å; L290-L302 VanDerWaalsContact CD2-CD2 3.47Å; L290-L302 HydrophobicContact CG-CD2 4.39Å; L293-L302 HydrophobicContact CB-CD1 4.24Å; L293-L302 HydrophobicContact CB-CD2 3.89Å; L293-L302 HydrophobicContact CB-CG 4.06Å; L293-L302 HydrophobicContact CD1-CD2 4.26Å; A294-L302 HydrophobicContact CB-CD1 3.86Å; K298-L302 PolarHBondContact O-N 2.9Å; F299-L302 HydrophobicContact CD1-CD1 4.14Å; F299-L302 WeakPolarHBondContact O-CB 3.48Å; F299-L302 PolarHBondContact O-N 3.13Å; F299-L302 VanDerWaalsContact O-N 3.14Å; L302-S306 WeakPolarHBondContact O-CB 3.34Å; L302-S306 PolarHBondContact O-N 3.13Å; L302-S306 VanDerWaalsContact O-N 3.08Å; L302-S306 PolarHBondContact O-OG 3.36Å; L302-W418 HydrophobicContact CB-CH2 3.48Å; L302-W418 VanDerWaalsContact CB-CH2 3.48Å; L302-W418 HydrophobicContact CB-CZ2 3.72Å; L302-W418 HydrophobicContact CB-CZ3 3.92Å; L302-W418 HydrophobicContact CD1-CD2 4.27Å; L302-W418 HydrophobicContact CD1-CH2 4.44Å; L302-W418 HydrophobicContact CD1-CZ2 4.01Å; L302-W418 HydrophobicContact CD2-CZ2 4.2Å; L302-W418 HydrophobicContact CG-CH2 4.44Å; L302-W418 HydrophobicContact CG-CZ2 4.22Å |
| 303 | I | 81.1 | Confident | 87.5 | Confident | 33 Ų | 33 | 42.9 Ų | 42.9 | 17% | 0.169 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.9 | -53.4 | 177.4 | -69.7 | 165.7 | 0 | 0 | 0 | 111 | F299 S300 I301 V305 S306 L307 F337 H339 W418 | F299-I303 WeakPolarHBondContact O-CB 3.37Å; F299-I303 VanDerWaalsContact O-CG1 3.24Å; F299-I303 WeakPolarHBondContact O-CG1 3.37Å; F299-I303 PolarHBondContact O-N 3.08Å; S300-I303 PolarHBondContact O-N 3.32Å; I301-I303 PolarHBondContact O-N 3Å; I303-V305 VanDerWaalsContact C-N 3.33Å; I303-V305 PolarHBondContact O-N 3.45Å; I303-S306 PolarHBondContact O-N 3.22Å; I303-S306 VanDerWaalsContact O-N 3.15Å; I303-L307 HydrophobicContact CG2-CD1 4.05Å; I303-L307 WeakPolarHBondContact O-CG 3.49Å; I303-L307 PolarHBondContact O-N 2.92Å; I303-F337 HydrophobicContact CB-CE2 4.26Å; I303-F337 HydrophobicContact CG1-CE2 4.08Å; I303-F337 HydrophobicContact CG2-CE2 4.11Å; I303-F337 HydrophobicContact CG2-CZ 4.49Å; I303-H339 WeakPolarHBondContact CD1-NE2 3.38Å; I303-H339 WeakPolarHBondContact CG1-NE2 3.1Å; I303-W418 HydrophobicContact CG1-CZ3 4.26Å |
| 304 | E | 84.7 | Confident | 87.9 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 34% | 0.341 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.8 | -42.5 | -179.6 | -173.6 | 177 | 168.5 | 0 | 0 | 111.5 | L264 S300 I301 S306 T308 Y973 | L264-E304 HydrophobicContact CD1-CB 4.42Å; L264-E304 HydrophobicContact CD1-CG 4.32Å; L264-E304 WeakPolarHBondContact CD2-OE2 3.34Å; S300-E304 PolarHBondContact O-N 3.4Å; I301-E304 PolarHBondContact O-N 3Å; E304-S306 PolarHBondContact O-N 2.79Å; E304-T308 HydrophobicContact CG-CG2 4.36Å; E304-T308 WeakPolarHBondContact O-CB 3.43Å; E304-T308 VanDerWaalsContact O-CG2 3.25Å; E304-T308 WeakPolarHBondContact O-CG2 3.29Å; E304-T308 PolarHBondContact O-N 3.34Å; E304-T308 PolarHBondContact O-OG1 2.89Å; E304-Y973 PolarHBondContact OE1-OH 3.47Å |
| 305 | V | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 174.9 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | L264 I267 I271 I301 I303 T308 K309 | L264-V305 HydrophobicContact CD1-CG2 3.46Å; L264-V305 VanDerWaalsContact CD1-CG2 3.46Å; I267-V305 HydrophobicContact CG1-CG1 4.27Å; I267-V305 HydrophobicContact CG2-CG1 4.44Å; I267-V305 HydrophobicContact CG2-CG2 3.52Å; I271-V305 HydrophobicContact CD1-CG1 3.25Å; I301-V305 HydrophobicContact CG2-CG2 4.05Å; I301-V305 VanDerWaalsContact O-CB 3.28Å; I301-V305 WeakPolarHBondContact O-CB 3.33Å; I301-V305 WeakPolarHBondContact O-CG2 3.45Å; I301-V305 PolarHBondContact O-N 3.16Å; I303-V305 VanDerWaalsContact C-N 3.33Å; I303-V305 PolarHBondContact O-N 3.45Å; V305-T308 PolarHBondContact O-OG1 3.36Å; V305-K309 VanDerWaalsContact O-CB 3.24Å; V305-K309 WeakPolarHBondContact O-CB 3.37Å; V305-K309 WeakPolarHBondContact O-CG 3.49Å; V305-K309 PolarHBondContact O-N 3.45Å; V305-K309 VanDerWaalsContact O-N 3.12Å |
| 306 | S | 89.9 | Confident | 88.8 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -52.6 | 179.8 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | L302 I303 E304 T308 K309 I310 | L302-S306 WeakPolarHBondContact O-CB 3.34Å; L302-S306 PolarHBondContact O-N 3.13Å; L302-S306 VanDerWaalsContact O-N 3.08Å; L302-S306 PolarHBondContact O-OG 3.36Å; I303-S306 PolarHBondContact O-N 3.22Å; I303-S306 VanDerWaalsContact O-N 3.15Å; E304-S306 PolarHBondContact O-N 2.79Å; S306-T308 VanDerWaalsContact C-N 3.35Å; S306-T308 PolarHBondContact O-N 3.45Å; S306-K309 PolarHBondContact O-N 2.88Å; S306-I310 VanDerWaalsContact O-CB 3.24Å; S306-I310 WeakPolarHBondContact O-CB 3.41Å; S306-I310 WeakPolarHBondContact O-CG2 3.39Å; S306-I310 PolarHBondContact O-N 2.82Å |
| 307 | L | 87 | Confident | 89.3 | Confident | 44 Ų | 44 | 40.4 Ų | 40.4 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -35.9 | -178.9 | -63.7 | 174.7 | 0 | 0 | 0 | 112.7 | I303 F337 E342 A343 L346 | I303-L307 HydrophobicContact CG2-CD1 4.05Å; I303-L307 WeakPolarHBondContact O-CG 3.49Å; I303-L307 PolarHBondContact O-N 2.92Å; L307-F337 HydrophobicContact CD1-CZ 4.47Å; L307-F337 HydrophobicContact CD2-CE1 4.3Å; L307-F337 HydrophobicContact CD2-CZ 3.83Å; L307-F337 HydrophobicContact CG-CE2 4.45Å; L307-F337 HydrophobicContact CG-CZ 4.08Å; L307-E342 HydrophobicContact CD2-CB 3.68Å; L307-A343 HydrophobicContact CD2-CB 4.14Å; L307-L346 HydrophobicContact CD2-CD1 4.25Å |
| 308 | T | 90.2 | Very high | 89.8 | Confident | 72 Ų | 72 | 39.6 Ų | 39.6 | 44% | 0.442 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -84.9 | -11.9 | -177.7 | 58.7 | 0 | 0 | 0 | 0 | 115.3 | E304 V305 S306 | E304-T308 HydrophobicContact CG-CG2 4.36Å; E304-T308 WeakPolarHBondContact O-CB 3.43Å; E304-T308 VanDerWaalsContact O-CG2 3.25Å; E304-T308 WeakPolarHBondContact O-CG2 3.29Å; E304-T308 PolarHBondContact O-N 3.34Å; E304-T308 PolarHBondContact O-OG1 2.89Å; V305-T308 PolarHBondContact O-OG1 3.36Å; S306-T308 VanDerWaalsContact C-N 3.35Å; S306-T308 PolarHBondContact O-N 3.45Å |
| 309 | K | 94.1 | Very high | 90.2 | Very high | 11 Ų | 11 | 42.8 Ų | 42.8 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -123.2 | -19.1 | -174.6 | -62.8 | -75.2 | 169 | 145 | 0 | 115.5 | S268 I271 D272 V305 S306 E311 K312 V313 M333 | S268-K309 PolarHBondContact O-NZ 3.35Å; S268-K309 WeakPolarHBondContact OG-CE 3.37Å; S268-K309 PolarHBondContact OG-NZ 2.97Å; I271-K309 HydrophobicContact CG2-CB 3.9Å; I271-K309 HydrophobicContact CG2-CD 4.26Å; I271-K309 HydrophobicContact CG2-CG 4.2Å; D272-K309 IonicContact OD1-NZ 3.08Å; D272-K309 PolarHBondContact OD1-NZ 2.91Å; D272-K309 IonicContact OD2-NZ 3.88Å; D272-K309 PolarHBondContact OD2-NZ 2.94Å; V305-K309 VanDerWaalsContact O-CB 3.24Å; V305-K309 WeakPolarHBondContact O-CB 3.37Å; V305-K309 WeakPolarHBondContact O-CG 3.49Å; V305-K309 PolarHBondContact O-N 3.45Å; V305-K309 VanDerWaalsContact O-N 3.12Å; S306-K309 PolarHBondContact O-N 2.88Å; K309-E311 PolarHBondContact O-N 2.92Å; K309-K312 HydrophobicContact CD-CD 4.36Å; K309-K312 WeakPolarHBondContact O-CA 3.01Å; K309-K312 WeakPolarHBondContact O-CB 3.5Å; K309-K312 PolarHBondContact O-N 3.48Å; K309-V313 PolarHBondContact O-N 3.38Å; K309-M333 HydrophobicContact CB-CE 4.45Å |
| 310 | I | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | -168.4 | -164.5 | 166.4 | 0 | 0 | 0 | 113.9 | S306 K312 V313 F314 L330 M333 L334 A343 L346 L347 | S306-I310 VanDerWaalsContact O-CB 3.24Å; S306-I310 WeakPolarHBondContact O-CB 3.41Å; S306-I310 WeakPolarHBondContact O-CG2 3.39Å; S306-I310 PolarHBondContact O-N 2.82Å; I310-K312 VanDerWaalsContact C-N 3.29Å; I310-K312 PolarHBondContact O-N 3.45Å; I310-V313 PolarHBondContact O-N 3.34Å; I310-F314 WeakPolarHBondContact O-CB 3.5Å; I310-F314 PolarHBondContact O-N 3.43Å; I310-L330 HydrophobicContact CD1-CD1 3.94Å; I310-L330 HydrophobicContact CG1-CD1 3.64Å; I310-M333 HydrophobicContact CB-CE 4.14Å; I310-M333 HydrophobicContact CG1-CE 4.49Å; I310-L334 HydrophobicContact CD1-CD1 4.45Å; I310-L334 HydrophobicContact CD1-CD2 3.51Å; I310-L334 HydrophobicContact CD1-CG 3.76Å; I310-A343 HydrophobicContact CD1-CB 3.96Å; I310-A343 HydrophobicContact CG2-CB 4.4Å; I310-L346 HydrophobicContact CG2-CB 4.46Å; I310-L346 HydrophobicContact CG2-CD1 4.12Å; I310-L347 HydrophobicContact CD1-CD1 4.05Å; I310-L347 HydrophobicContact CG1-CD1 4.09Å; I310-L347 HydrophobicContact CG1-CD2 4.26Å; I310-L347 HydrophobicContact CG1-CG 4.47Å; I310-L347 HydrophobicContact CG2-CD2 4.37Å |
| 311 | E | 94.7 | Very high | 91.1 | Very high | 83 Ų | 83 | 46.1 Ų | 46.1 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.1 | -38.3 | 172.9 | -67.7 | -176.8 | 96.1 | 0 | 0 | 112.4 | K309 F314 S315 L346 L347 H350 | K309-E311 PolarHBondContact O-N 2.92Å; E311-F314 PolarHBondContact O-N 3.28Å; E311-S315 WeakPolarHBondContact O-CB 3.43Å; E311-S315 PolarHBondContact O-N 2.94Å; E311-L346 HydrophobicContact CG-CB 4.15Å; E311-L347 HydrophobicContact CG-CD2 4.26Å; E311-H350 IonicContact OE1-CD2 3.14Å; E311-H350 IonicContact OE1-CE1 3.85Å; E311-H350 IonicContact OE1-NE2 2.78Å; E311-H350 PolarHBondContact OE1-NE2 3.3Å |
| 312 | K | 93.1 | Very high | 91.4 | Very high | 119 Ų | 119 | 46.4 Ų | 46.4 | 52% | 0.517 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 178.6 | -68.7 | 175.2 | 178.5 | 168.5 | 0 | 110.9 | K309 I310 S315 K316 | K309-K312 HydrophobicContact CD-CD 4.36Å; K309-K312 WeakPolarHBondContact O-CA 3.01Å; K309-K312 WeakPolarHBondContact O-CB 3.5Å; K309-K312 PolarHBondContact O-N 3.48Å; I310-K312 VanDerWaalsContact C-N 3.29Å; I310-K312 PolarHBondContact O-N 3.45Å; K312-S315 PolarHBondContact O-OG 3.37Å; K312-K316 WeakPolarHBondContact O-CG 3.27Å |
| 313 | V | 96.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -47.8 | 173.6 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | I271 K309 I310 S315 K316 A326 V329 L330 M333 | I271-V313 HydrophobicContact CG2-CG2 3.43Å; I271-V313 VanDerWaalsContact CG2-CG2 3.43Å; K309-V313 PolarHBondContact O-N 3.38Å; I310-V313 PolarHBondContact O-N 3.34Å; V313-S315 VanDerWaalsContact C-N 3.3Å; V313-S315 PolarHBondContact O-N 3.13Å; V313-K316 WeakPolarHBondContact O-CB 3.49Å; V313-K316 PolarHBondContact O-N 3.43Å; V313-A326 HydrophobicContact CG1-CB 4.32Å; V313-A326 VanDerWaalsContact CG1-O 3.27Å; V313-A326 WeakPolarHBondContact CG1-O 3.41Å; V313-V329 HydrophobicContact CG1-CB 4.3Å; V313-V329 HydrophobicContact CG1-CG1 4.18Å; V313-V329 HydrophobicContact CG2-CG1 4.35Å; V313-L330 HydrophobicContact CG1-CB 4.06Å; V313-M333 HydrophobicContact CG2-SD 4.27Å |
| 314 | F | 96.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.6 | -43 | 178 | -173.8 | -99.3 | 0 | 0 | 0 | 112.3 | I310 E311 K316 L317 L330 L347 H350 I351 M354 L373 | I310-F314 WeakPolarHBondContact O-CB 3.5Å; I310-F314 PolarHBondContact O-N 3.43Å; E311-F314 PolarHBondContact O-N 3.28Å; F314-K316 PolarHBondContact O-N 3.5Å; F314-L317 HydrophobicContact CD2-CD1 3.81Å; F314-L317 HydrophobicContact CE2-CD1 3.85Å; F314-L317 WeakPolarHBondContact O-CB 3.39Å; F314-L317 WeakPolarHBondContact O-CG 3.5Å; F314-L317 PolarHBondContact O-N 3.18Å; F314-L330 HydrophobicContact CD2-CD2 3.76Å; F314-L330 HydrophobicContact CE2-CD2 4.45Å; F314-L347 HydrophobicContact CB-CD2 3.64Å; F314-L347 HydrophobicContact CD1-CD2 4.29Å; F314-L347 HydrophobicContact CD2-CD1 4Å; F314-L347 HydrophobicContact CD2-CD2 4.21Å; F314-L347 HydrophobicContact CG-CD1 4.42Å; F314-L347 HydrophobicContact CG-CD2 3.79Å; F314-H350 HydrophobicContact CD1-CB 4.01Å; F314-H350 HydrophobicContact CE1-CB 3.62Å; F314-I351 HydrophobicContact CE1-CG1 4.41Å; F314-I351 HydrophobicContact CE2-CG1 3.96Å; F314-I351 HydrophobicContact CZ-CB 4.34Å; F314-I351 HydrophobicContact CZ-CG1 3.58Å; F314-M354 HydrophobicContact CD1-CE 3.69Å; F314-M354 HydrophobicContact CE1-CB 3.85Å; F314-M354 HydrophobicContact CE1-CE 3.42Å; F314-M354 VanDerWaalsContact CE1-CE 3.42Å; F314-M354 HydrophobicContact CE1-CG 4.09Å; F314-M354 HydrophobicContact CE2-CG 4.48Å; F314-M354 HydrophobicContact CG-CE 4.37Å; F314-M354 HydrophobicContact CZ-CB 3.68Å; F314-M354 HydrophobicContact CZ-CE 3.92Å; F314-M354 HydrophobicContact CZ-CG 3.73Å; F314-M354 WeakPolarHBondContact O-CE 3.43Å; F314-L373 HydrophobicContact CE2-CD1 4.01Å; F314-L373 HydrophobicContact CE2-CD2 4.33Å |
| 315 | S | 95.3 | Very high | 92.5 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 33% | 0.329 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -57.6 | -22.2 | 177.6 | 78.1 | 0 | 0 | 0 | 0 | 114.4 | E311 K312 V313 L317 | E311-S315 WeakPolarHBondContact O-CB 3.43Å; E311-S315 PolarHBondContact O-N 2.94Å; K312-S315 PolarHBondContact O-OG 3.37Å; V313-S315 VanDerWaalsContact C-N 3.3Å; V313-S315 PolarHBondContact O-N 3.13Å; S315-L317 VanDerWaalsContact C-N 3.34Å |
| 316 | K | 94.3 | Very high | 92.6 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 21% | 0.213 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -80.9 | -11.5 | -179.7 | -53.3 | -60.7 | 158.7 | 164.7 | 0 | 113.5 | V274 S275 K312 V313 F314 L318 Y319 V322 A326 | V274-K316 HydrophobicContact CG1-CB 4.4Å; V274-K316 HydrophobicContact CG1-CG 4.36Å; S275-K316 VanDerWaalsContact OG-CE 3.23Å; S275-K316 WeakPolarHBondContact OG-CE 3.42Å; S275-K316 PolarHBondContact OG-NZ 3.25Å; K312-K316 WeakPolarHBondContact O-CG 3.27Å; V313-K316 WeakPolarHBondContact O-CB 3.49Å; V313-K316 PolarHBondContact O-N 3.43Å; F314-K316 PolarHBondContact O-N 3.5Å; K316-L318 PolarHBondContact O-N 3.09Å; K316-Y319 PolarHBondContact O-N 2.82Å; K316-V322 HydrophobicContact CB-CG2 4.06Å; K316-A326 HydrophobicContact CB-CB 3.72Å |
| 317 | L | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -61.7 | -25.9 | 173 | -61 | -179.9 | 0 | 0 | 0 | 112.4 | F314 S315 Y319 R323 A326 L327 L330 M354 | F314-L317 HydrophobicContact CD2-CD1 3.81Å; F314-L317 HydrophobicContact CE2-CD1 3.85Å; F314-L317 WeakPolarHBondContact O-CB 3.39Å; F314-L317 WeakPolarHBondContact O-CG 3.5Å; F314-L317 PolarHBondContact O-N 3.18Å; S315-L317 VanDerWaalsContact C-N 3.34Å; L317-Y319 PolarHBondContact O-N 3.35Å; L317-R323 PolarHBondContact O-NE 3.16Å; L317-R323 PolarHBondContact O-NH2 2.99Å; L317-R323 VanDerWaalsContact O-NH2 3.1Å; L317-A326 HydrophobicContact CD2-CB 4.13Å; L317-L327 HydrophobicContact CD2-CB 3.72Å; L317-L327 HydrophobicContact CD2-CD1 4.1Å; L317-L327 HydrophobicContact CD2-CG 4.47Å; L317-L330 HydrophobicContact CD1-CD2 3.86Å; L317-M354 HydrophobicContact CB-CE 3.95Å; L317-M354 HydrophobicContact CB-SD 3.7Å |
| 318 | L | 92 | Very high | 93.2 | Very high | 76 Ų | 76 | 45.3 Ų | 45.3 | 40% | 0.398 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -66 | -12.7 | 173.5 | -68.5 | 175.5 | 0 | 0 | 0 | 114.4 | K316 P320 R323 M354 | K316-L318 PolarHBondContact O-N 3.09Å; L318-P320 WeakPolarHBondContact O-CD 3.49Å; L318-R323 PolarHBondContact O-NH2 2.94Å; L318-M354 HydrophobicContact CD2-CE 4.34Å; L318-M354 HydrophobicContact CD2-SD 3.5Å; L318-M354 WeakPolarHBondContact CD2-SD 3.48Å; L318-M354 HydrophobicContact CG-CE 3.88Å; L318-M354 HydrophobicContact CG-SD 3.61Å |
| 319 | Y | 91.1 | Very high | 93.4 | Very high | 141 Ų | 141 | 41.9 Ų | 41.9 | 55% | 0.553 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -112.7 | 101.5 | -170.6 | -63.3 | -99.2 | 0 | 0 | 0 | 110.5 | K316 L317 I321 V322 R323 | K316-Y319 PolarHBondContact O-N 2.82Å; L317-Y319 PolarHBondContact O-N 3.35Å; Y319-I321 PolarHBondContact O-N 2.95Å; Y319-V322 PolarHBondContact O-N 2.59Å; Y319-R323 WeakPolarHBondContact O-CB 3.29Å; Y319-R323 PolarHBondContact O-N 3.01Å |
| 320 | P | 90.3 | Very high | 93.5 | Very high | 70 Ų | 70 | 41.4 Ų | 41.4 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -52.3 | -33.8 | -168.6 | -28.8 | 32.9 | 0 | 0 | 0 | 115.4 | L318 | L318-P320 WeakPolarHBondContact O-CD 3.49Å |
| 321 | I | 89 | Confident | 93.4 | Very high | 134 Ų | 134 | 43.5 Ų | 43.5 | 69% | 0.687 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -66.1 | -37.9 | -177.8 | -57.4 | 173.8 | 0 | 0 | 0 | 112.3 | P277 Y319 | P277-I321 HydrophobicContact CB-CG2 4.05Å; P277-I321 WeakPolarHBondContact O-CG2 3.31Å; Y319-I321 PolarHBondContact O-N 2.95Å |
| 322 | V | 91.8 | Very high | 93.3 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.085 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -105.6 | -11.5 | -177.3 | -64.6 | 0 | 0 | 0 | 0 | 113.4 | V274 K316 Y319 G324 A325 A326 | V274-V322 WeakPolarHBondContact O-CB 3.49Å; V274-V322 WeakPolarHBondContact O-CG1 3.22Å; K316-V322 HydrophobicContact CB-CG2 4.06Å; Y319-V322 PolarHBondContact O-N 2.59Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.37Å; V322-A325 PolarHBondContact O-N 2.93Å; V322-A326 PolarHBondContact O-N 3.3Å |
| 323 | R | 92.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -41.7 | -51.6 | -179.5 | 179 | 175.1 | -68 | 161.1 | -2.1 | 113.9 | L317 L318 Y319 A325 A326 L327 E361 S365 C369 | L317-R323 PolarHBondContact O-NE 3.16Å; L317-R323 PolarHBondContact O-NH2 2.99Å; L317-R323 VanDerWaalsContact O-NH2 3.1Å; L318-R323 PolarHBondContact O-NH2 2.94Å; Y319-R323 WeakPolarHBondContact O-CB 3.29Å; Y319-R323 PolarHBondContact O-N 3.01Å; R323-A325 PolarHBondContact O-N 3.26Å; R323-A326 PolarHBondContact O-N 2.57Å; R323-L327 VanDerWaalsContact O-CB 3.24Å; R323-L327 WeakPolarHBondContact O-CB 3.44Å; R323-L327 PolarHBondContact O-N 2.73Å; R323-E361 IonicContact CZ-OE1 2.7Å; R323-E361 IonicContact CZ-OE2 3.64Å; R323-E361 IonicContact NH1-OE1 3.33Å; R323-E361 PolarHBondContact NH1-OE1 2.85Å; R323-E361 IonicContact NH1-OE2 2.7Å; R323-E361 PolarHBondContact NH1-OE2 3.18Å; R323-E361 IonicContact NH2-OE1 3.76Å; R323-E361 IonicContact NH2-OE2 2.7Å; R323-E361 PolarHBondContact NH2-OE2 2.88Å; R323-S365 WeakPolarHBondContact CD-O 3.4Å; R323-S365 PolarHBondContact NH1-OG 3.31Å; R323-C369 HydrophobicContact CG-CB 4.08Å |
| 324 | G | 91.4 | Very high | 93.1 | Very high | 51 Ų | 51 | 34.8 Ų | 34.8 | 53% | 0.526 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.1 | -40.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V322 S328 | V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.37Å; G324-S328 WeakPolarHBondContact O-CB 3.39Å; G324-S328 PolarHBondContact O-N 2.85Å |
| 325 | A | 91.8 | Very high | 92.7 | Very high | 23 Ų | 23 | 34.8 Ų | 34.8 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.1 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D283 V322 R323 S328 V329 | D283-A325 HydrophobicContact CB-CB 4.1Å; V322-A325 PolarHBondContact O-N 2.93Å; R323-A325 PolarHBondContact O-N 3.26Å; A325-S328 PolarHBondContact O-N 3.26Å; A325-V329 WeakPolarHBondContact O-CG2 3.41Å; A325-V329 PolarHBondContact O-N 3.08Å; A325-V329 VanDerWaalsContact O-N 3.11Å |
| 326 | A | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V274 V313 K316 L317 V322 R323 V329 L330 | V274-A326 HydrophobicContact CG1-CB 3.6Å; V313-A326 HydrophobicContact CG1-CB 4.32Å; V313-A326 VanDerWaalsContact CG1-O 3.27Å; V313-A326 WeakPolarHBondContact CG1-O 3.41Å; K316-A326 HydrophobicContact CB-CB 3.72Å; L317-A326 HydrophobicContact CD2-CB 4.13Å; V322-A326 PolarHBondContact O-N 3.3Å; R323-A326 PolarHBondContact O-N 2.57Å; A326-V329 PolarHBondContact O-N 2.68Å; A326-L330 WeakPolarHBondContact O-CB 3.49Å; A326-L330 PolarHBondContact O-N 3.28Å |
| 327 | L | 94.7 | Very high | 91.5 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 178.3 | -174.9 | 62.2 | 0 | 0 | 0 | 112.3 | L317 R323 L330 K331 C369 Q372 | L317-L327 HydrophobicContact CD2-CB 3.72Å; L317-L327 HydrophobicContact CD2-CD1 4.1Å; L317-L327 HydrophobicContact CD2-CG 4.47Å; R323-L327 VanDerWaalsContact O-CB 3.24Å; R323-L327 WeakPolarHBondContact O-CB 3.44Å; R323-L327 PolarHBondContact O-N 2.73Å; L327-L330 PolarHBondContact O-N 3.1Å; L327-K331 VanDerWaalsContact O-CB 3.26Å; L327-K331 WeakPolarHBondContact O-CB 3.38Å; L327-K331 PolarHBondContact O-N 3.32Å; L327-C369 HydrophobicContact CD2-CB 4.39Å; L327-Q372 HydrophobicContact CD1-CB 4.45Å; L327-Q372 HydrophobicContact CD2-CB 3.85Å; L327-Q372 HydrophobicContact CD2-CG 4.43Å; L327-Q372 HydrophobicContact CG-CB 4.5Å |
| 328 | S | 94.1 | Very high | 90.8 | Very high | 43 Ų | 43 | 31.2 Ų | 31.2 | 30% | 0.301 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.3 | -50 | 174.7 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | I287 G324 A325 Y332 | I287-S328 WeakPolarHBondContact CD1-OG 3.44Å; G324-S328 WeakPolarHBondContact O-CB 3.39Å; G324-S328 PolarHBondContact O-N 2.85Å; A325-S328 PolarHBondContact O-N 3.26Å; S328-Y332 PolarHBondContact O-N 3.49Å; S328-Y332 VanDerWaalsContact O-N 3.13Å |
| 329 | V | 95.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 177.5 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | V274 D283 I286 I287 V313 A325 A326 Y332 M333 | V274-V329 HydrophobicContact CG2-CG2 4.24Å; D283-V329 HydrophobicContact CB-CG2 4.03Å; I286-V329 HydrophobicContact CB-CG2 4.19Å; I286-V329 HydrophobicContact CD1-CG2 3.93Å; I286-V329 HydrophobicContact CG2-CG1 4Å; I286-V329 HydrophobicContact CG2-CG2 4.06Å; I287-V329 HydrophobicContact CD1-CG2 4.49Å; I287-V329 HydrophobicContact CG1-CG2 4.42Å; V313-V329 HydrophobicContact CG1-CB 4.3Å; V313-V329 HydrophobicContact CG1-CG1 4.18Å; V313-V329 HydrophobicContact CG2-CG1 4.35Å; A325-V329 WeakPolarHBondContact O-CG2 3.41Å; A325-V329 PolarHBondContact O-N 3.08Å; A325-V329 VanDerWaalsContact O-N 3.11Å; A326-V329 PolarHBondContact O-N 2.68Å; V329-Y332 PolarHBondContact O-N 2.86Å; V329-M333 HydrophobicContact CG1-CG 4.33Å; V329-M333 HydrophobicContact CG1-SD 3.64Å; V329-M333 WeakPolarHBondContact O-CB 3.46Å; V329-M333 VanDerWaalsContact O-CG 3.24Å; V329-M333 WeakPolarHBondContact O-CG 3.39Å; V329-M333 PolarHBondContact O-N 3.11Å |
| 330 | L | 95.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 177.8 | 176.7 | 67.8 | 0 | 0 | 0 | 112.5 | I310 V313 F314 L317 A326 L327 Y332 M333 L334 L347 L376 | I310-L330 HydrophobicContact CD1-CD1 3.94Å; I310-L330 HydrophobicContact CG1-CD1 3.64Å; V313-L330 HydrophobicContact CG1-CB 4.06Å; F314-L330 HydrophobicContact CD2-CD2 3.76Å; F314-L330 HydrophobicContact CE2-CD2 4.45Å; L317-L330 HydrophobicContact CD1-CD2 3.86Å; A326-L330 WeakPolarHBondContact O-CB 3.49Å; A326-L330 PolarHBondContact O-N 3.28Å; L327-L330 PolarHBondContact O-N 3.1Å; L330-Y332 VanDerWaalsContact C-N 3.33Å; L330-Y332 PolarHBondContact O-N 2.8Å; L330-M333 PolarHBondContact O-N 3.35Å; L330-L334 HydrophobicContact CD1-CD1 3.94Å; L330-L334 HydrophobicContact CD1-CG 4.28Å; L330-L334 HydrophobicContact CG-CD1 4.22Å; L330-L334 PolarHBondContact O-N 2.92Å; L330-L347 HydrophobicContact CD1-CD1 3.9Å; L330-L376 HydrophobicContact CD2-CD2 4.46Å; L330-L376 HydrophobicContact CG-CD2 4.25Å |
| 331 | K | 93.4 | Very high | 88 | Confident | 44 Ų | 44 | 21.4 Ų | 21.4 | 19% | 0.191 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 178.7 | -179.4 | 162.5 | 179 | 173.3 | 0 | 110.8 | L327 L335 E375 L376 | L327-K331 VanDerWaalsContact O-CB 3.26Å; L327-K331 WeakPolarHBondContact O-CB 3.38Å; L327-K331 PolarHBondContact O-N 3.32Å; K331-L335 HydrophobicContact CD-CD1 4.33Å; K331-L335 HydrophobicContact CG-CD1 3.67Å; K331-L335 HydrophobicContact CG-CG 4.29Å; K331-L335 VanDerWaalsContact O-CB 3.3Å; K331-L335 WeakPolarHBondContact O-CB 3.29Å; K331-L335 WeakPolarHBondContact O-CG 3.26Å; K331-L335 PolarHBondContact O-N 2.91Å; K331-E375 IonicContact NZ-OE2 3.97Å; K331-E375 PolarHBondContact NZ-OE2 3.49Å; K331-L376 HydrophobicContact CB-CD2 4.07Å; K331-L376 HydrophobicContact CG-CD1 4.27Å; K331-L376 HydrophobicContact CG-CD2 4.45Å |
| 332 | Y | 92.3 | Very high | 87.4 | Confident | 15 Ų | 15 | 17.8 Ų | 17.8 | 6% | 0.059 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 174 | -175.3 | -102.8 | 0 | 0 | 0 | 112.5 | I287 L290 K291 S328 V329 L330 L334 T336 D416 | I287-Y332 HydrophobicContact CB-CD1 4.36Å; I287-Y332 HydrophobicContact CB-CG 4.44Å; I287-Y332 HydrophobicContact CG1-CD1 4.05Å; I287-Y332 HydrophobicContact CG1-CG 4.01Å; I287-Y332 HydrophobicContact CG2-CD1 3.99Å; I287-Y332 HydrophobicContact CG2-CD2 3.93Å; I287-Y332 HydrophobicContact CG2-CE1 4.3Å; I287-Y332 HydrophobicContact CG2-CE2 4.27Å; I287-Y332 HydrophobicContact CG2-CG 3.8Å; L290-Y332 HydrophobicContact CB-CD1 4.27Å; L290-Y332 HydrophobicContact CB-CE1 3.56Å; L290-Y332 HydrophobicContact CD1-CD1 3.85Å; L290-Y332 HydrophobicContact CD1-CE1 3.97Å; L290-Y332 HydrophobicContact CG-CE1 4.43Å; K291-Y332 HydrophobicContact CD-CE2 4.2Å; K291-Y332 HydrophobicContact CG-CE1 4.41Å; K291-Y332 HydrophobicContact CG-CE2 3.94Å; K291-Y332 WeakPolarHBondContact CG-OH 3.44Å; S328-Y332 PolarHBondContact O-N 3.49Å; S328-Y332 VanDerWaalsContact O-N 3.13Å; V329-Y332 PolarHBondContact O-N 2.86Å; L330-Y332 VanDerWaalsContact C-N 3.33Å; L330-Y332 PolarHBondContact O-N 2.8Å; Y332-L334 PolarHBondContact O-N 3.18Å; Y332-T336 HydrophobicContact CD1-CG2 4.22Å; Y332-T336 HydrophobicContact CD2-CG2 3.76Å; Y332-T336 HydrophobicContact CE1-CG2 3.77Å; Y332-T336 HydrophobicContact CE2-CG2 3.23Å; Y332-T336 HydrophobicContact CG-CG2 4.2Å; Y332-T336 VanDerWaalsContact O-CB 3.28Å; Y332-T336 WeakPolarHBondContact O-CB 3.47Å; Y332-T336 WeakPolarHBondContact O-CG2 3.47Å; Y332-T336 PolarHBondContact O-N 3.49Å; Y332-T336 PolarHBondContact O-OG1 3.2Å; Y332-T336 WeakPolarHBondContact OH-CG2 3.49Å; Y332-D416 HydrophobicContact CE2-CB 4.46Å; Y332-D416 WeakPolarHBondContact CE2-OD1 3.43Å |
| 333 | M | 92.2 | Very high | 87.2 | Confident | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 177.8 | -71.1 | 170 | 77.2 | 0 | 0 | 112.5 | L290 K309 I310 V313 V329 L330 T336 F337 | L290-M333 HydrophobicContact CD1-CG 4.4Å; K309-M333 HydrophobicContact CB-CE 4.45Å; I310-M333 HydrophobicContact CB-CE 4.14Å; I310-M333 HydrophobicContact CG1-CE 4.49Å; V313-M333 HydrophobicContact CG2-SD 4.27Å; V329-M333 HydrophobicContact CG1-CG 4.33Å; V329-M333 HydrophobicContact CG1-SD 3.64Å; V329-M333 WeakPolarHBondContact O-CB 3.46Å; V329-M333 VanDerWaalsContact O-CG 3.24Å; V329-M333 WeakPolarHBondContact O-CG 3.39Å; V329-M333 PolarHBondContact O-N 3.11Å; L330-M333 PolarHBondContact O-N 3.35Å; M333-T336 PolarHBondContact O-OG1 3.06Å; M333-T336 VanDerWaalsContact O-OG1 3.04Å; M333-F337 WeakPolarHBondContact O-CB 3.18Å; M333-F337 PolarHBondContact O-N 3.38Å; M333-F337 VanDerWaalsContact O-N 3.08Å |
| 334 | L | 92 | Very high | 87.2 | Confident | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -74.3 | -44.4 | 179.5 | -76.1 | 176.2 | 0 | 0 | 0 | 113.5 | I310 L330 Y332 T336 F337 F344 L347 L376 M380 | I310-L334 HydrophobicContact CD1-CD1 4.45Å; I310-L334 HydrophobicContact CD1-CD2 3.51Å; I310-L334 HydrophobicContact CD1-CG 3.76Å; L330-L334 HydrophobicContact CD1-CD1 3.94Å; L330-L334 HydrophobicContact CD1-CG 4.28Å; L330-L334 HydrophobicContact CG-CD1 4.22Å; L330-L334 PolarHBondContact O-N 2.92Å; Y332-L334 PolarHBondContact O-N 3.18Å; L334-T336 PolarHBondContact O-N 2.9Å; L334-F337 PolarHBondContact O-N 3.1Å; L334-F344 HydrophobicContact CD2-CB 3.94Å; L334-L347 HydrophobicContact CD1-CD1 3.97Å; L334-L376 HydrophobicContact CB-CD1 3.98Å; L334-L376 HydrophobicContact CB-CD2 4.48Å; L334-L376 HydrophobicContact CB-CG 4.45Å; L334-L376 HydrophobicContact CD1-CD1 4.43Å; L334-L376 HydrophobicContact CD1-CD2 3.83Å; L334-L376 HydrophobicContact CD1-CG 3.99Å; L334-M380 HydrophobicContact CB-CE 4.34Å; L334-M380 HydrophobicContact CB-CG 4.33Å; L334-M380 HydrophobicContact CB-SD 3.89Å; L334-M380 HydrophobicContact CD1-CG 4.36Å; L334-M380 HydrophobicContact CD2-CG 4.45Å; L334-M380 HydrophobicContact CD2-SD 4.13Å; L334-M380 HydrophobicContact CG-SD 4.49Å; L334-M380 WeakPolarHBondContact O-CE 3.48Å |
| 335 | L | 88.5 | Confident | 87.2 | Confident | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69.3 | -16.1 | 178.5 | -67.9 | 178 | 0 | 0 | 0 | 113.3 | K331 Q338 L376 C379 M380 L412 L413 D416 | K331-L335 HydrophobicContact CD-CD1 4.33Å; K331-L335 HydrophobicContact CG-CD1 3.67Å; K331-L335 HydrophobicContact CG-CG 4.29Å; K331-L335 VanDerWaalsContact O-CB 3.3Å; K331-L335 WeakPolarHBondContact O-CB 3.29Å; K331-L335 WeakPolarHBondContact O-CG 3.26Å; K331-L335 PolarHBondContact O-N 2.91Å; L335-Q338 WeakPolarHBondContact O-CG 3.26Å; L335-Q338 PolarHBondContact O-NE2 3.04Å; L335-L376 HydrophobicContact CD2-CD1 4.04Å; L335-L376 HydrophobicContact CG-CD1 3.93Å; L335-C379 HydrophobicContact CD2-CB 4.26Å; L335-M380 HydrophobicContact CD2-CE 3.96Å; L335-L412 HydrophobicContact CD1-CB 4.42Å; L335-L412 HydrophobicContact CD2-CB 4.32Å; L335-L413 HydrophobicContact CD2-CD2 4.12Å; L335-D416 HydrophobicContact CB-CB 4.14Å |
| 336 | T | 83.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.012 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -93.4 | -37.2 | 173.9 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | Y332 M333 L334 Q338 D416 W418 | Y332-T336 HydrophobicContact CD1-CG2 4.22Å; Y332-T336 HydrophobicContact CD2-CG2 3.76Å; Y332-T336 HydrophobicContact CE1-CG2 3.77Å; Y332-T336 HydrophobicContact CE2-CG2 3.23Å; Y332-T336 HydrophobicContact CG-CG2 4.2Å; Y332-T336 VanDerWaalsContact O-CB 3.28Å; Y332-T336 WeakPolarHBondContact O-CB 3.47Å; Y332-T336 WeakPolarHBondContact O-CG2 3.47Å; Y332-T336 PolarHBondContact O-N 3.49Å; Y332-T336 PolarHBondContact O-OG1 3.2Å; Y332-T336 WeakPolarHBondContact OH-CG2 3.49Å; M333-T336 PolarHBondContact O-OG1 3.06Å; M333-T336 VanDerWaalsContact O-OG1 3.04Å; L334-T336 PolarHBondContact O-N 2.9Å; T336-Q338 PolarHBondContact O-N 3.47Å; T336-D416 HydrophobicContact CG2-CB 4.25Å; T336-D416 WeakPolarHBondContact CG2-O 3.43Å; T336-W418 VanDerWaalsContact CB-CE2 3.46Å; T336-W418 VanDerWaalsContact CB-NE1 3.33Å; T336-W418 WeakPolarHBondContact OG1-CZ2 3.42Å |
| 337 | F | 81.3 | Confident | 87.1 | Confident | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | trans | -74.4 | 38.1 | -178.4 | -163.3 | -92.3 | 0 | 0 | 0 | 113.1 | I303 L307 M333 L334 H339 S340 E342 A343 W418 | I303-F337 HydrophobicContact CB-CE2 4.26Å; I303-F337 HydrophobicContact CG1-CE2 4.08Å; I303-F337 HydrophobicContact CG2-CE2 4.11Å; I303-F337 HydrophobicContact CG2-CZ 4.49Å; L307-F337 HydrophobicContact CD1-CZ 4.47Å; L307-F337 HydrophobicContact CD2-CE1 4.3Å; L307-F337 HydrophobicContact CD2-CZ 3.83Å; L307-F337 HydrophobicContact CG-CE2 4.45Å; L307-F337 HydrophobicContact CG-CZ 4.08Å; M333-F337 WeakPolarHBondContact O-CB 3.18Å; M333-F337 PolarHBondContact O-N 3.38Å; M333-F337 VanDerWaalsContact O-N 3.08Å; L334-F337 PolarHBondContact O-N 3.1Å; F337-H339 AromaticContact CD2-CE1 3.39Å; F337-H339 WeakPolarHBondContact CD2-CE1 3.25Å; F337-H339 AromaticContact CE2-CE1 3.56Å; F337-H339 AromaticContact CE2-NE2 3.81Å; F337-H339 AromaticContact CG-CE1 3.76Å; F337-H339 PolarHBondContact O-N 2.76Å; F337-S340 WeakPolarHBondContact CD1-O 3.45Å; F337-S340 WeakPolarHBondContact CE1-O 3.13Å; F337-E342 HydrophobicContact CE1-CB 4.48Å; F337-A343 HydrophobicContact CD1-CB 3.41Å; F337-A343 VanDerWaalsContact CD1-CB 3.41Å; F337-A343 HydrophobicContact CE1-CB 3.53Å; F337-A343 HydrophobicContact CG-CB 3.98Å; F337-A343 HydrophobicContact CZ-CB 4.16Å; F337-W418 HydrophobicContact CD2-CH2 4.02Å; F337-W418 HydrophobicContact CD2-CZ3 4.05Å | ||
| 338 | Q | 78.9 | Confident | 87 | Confident | 15 Ų | 15 | 17.9 Ų | 17.9 | 7% | 0.07 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 4.5 | -174 | -68.4 | -170.6 | 38.2 | 0 | 0 | 115.8 | L335 T336 R383 L413 | L335-Q338 WeakPolarHBondContact O-CG 3.26Å; L335-Q338 PolarHBondContact O-NE2 3.04Å; T336-Q338 PolarHBondContact O-N 3.47Å; Q338-R383 HydrophobicContact CG-CG 4.47Å; Q338-R383 VanDerWaalsContact O-CZ 3.25Å; Q338-R383 PolarHBondContact O-NE 3.37Å; Q338-R383 VanDerWaalsContact O-NE 3.1Å; Q338-R383 PolarHBondContact O-NH2 2.95Å; Q338-L413 HydrophobicContact CG-CD2 4.29Å; Q338-L413 PolarHBondContact NE2-O 3.28Å |
| 339 | H | 64.2 | Low | 86.9 | Confident | 35 Ų | 35 | 20.1 Ų | 20.1 | 16% | 0.162 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -39.7 | -176.9 | 57.5 | -62.7 | 0 | 0 | 0 | 111 | I303 F337 W418 Y429 | I303-H339 WeakPolarHBondContact CD1-NE2 3.38Å; I303-H339 WeakPolarHBondContact CG1-NE2 3.1Å; F337-H339 AromaticContact CD2-CE1 3.39Å; F337-H339 WeakPolarHBondContact CD2-CE1 3.25Å; F337-H339 AromaticContact CE2-CE1 3.56Å; F337-H339 AromaticContact CE2-NE2 3.81Å; F337-H339 AromaticContact CG-CE1 3.76Å; F337-H339 PolarHBondContact O-N 2.76Å; H339-W418 AromaticContact CE1-CE3 3.93Å; H339-W418 AromaticContact CE1-CZ3 3.55Å; H339-Y429 HydrophobicContact CB-CE2 4.17Å; H339-Y429 VanDerWaalsContact CB-OH 3.27Å; H339-Y429 WeakPolarHBondContact CB-OH 3.5Å; H339-Y429 AromaticContact CD2-CZ 3.95Å; H339-Y429 PolarHBondContact CD2-OH 2.78Å; H339-Y429 PolarHBondContact O-OH 3.25Å |
| 340 | S | 72.4 | Confident | 86.9 | Confident | 5 Ų | 5 | 23.1 Ų | 23.1 | 4% | 0.035 | 12% | 0.117 | C | C | . | . | trans | -122.5 | 141.2 | 173.4 | -172.1 | 0 | 0 | 0 | 0 | 112 | F337 E342 F384 Y429 | F337-S340 WeakPolarHBondContact CD1-O 3.45Å; F337-S340 WeakPolarHBondContact CE1-O 3.13Å; S340-E342 PolarHBondContact O-N 2.87Å; S340-E342 WeakPolarHBondContact OG-CG 3.27Å; S340-E342 PolarHBondContact OG-N 3.48Å; S340-E342 PolarHBondContact OG-OE1 3.15Å; S340-F384 VanDerWaalsContact C-CZ 3.46Å; S340-F384 VanDerWaalsContact O-CZ 3.29Å; S340-F384 WeakPolarHBondContact O-CZ 3.44Å; S340-Y429 WeakPolarHBondContact CB-OH 3.41Å; S340-Y429 PolarHBondContact N-OH 2.84Å; S340-Y429 VanDerWaalsContact N-OH 3.13Å | ||
| 341 | H | 77.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 23.2 Ų | 23.2 | 19% | 0.19 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -63.5 | -16.9 | 169.4 | 75.9 | 121.7 | 0 | 0 | 0 | 114.4 | A343 F344 H345 F384 R895 | H341-A343 PolarHBondContact O-N 2.95Å; H341-F344 WeakPolarHBondContact O-CB 3.48Å; H341-F344 PolarHBondContact O-N 3.41Å; H341-H345 WeakPolarHBondContact CE1-CB 3.32Å; H341-H345 AromaticContact CE1-CD2 2.46Å; H341-H345 PolarHBondContact CE1-CD2 3.06Å; H341-H345 AromaticContact CE1-CE1 2.21Å; H341-H345 PolarHBondContact CE1-CE1 2.86Å; H341-H345 AromaticContact CE1-CG 2.23Å; H341-H345 AromaticContact CE1-ND1 2.04Å; H341-H345 PolarHBondContact CE1-ND1 2.9Å; H341-H345 AromaticContact CE1-NE2 2.43Å; H341-H345 PolarHBondContact CE1-NE2 2.99Å; H341-H345 AromaticContact CG-CD2 3.9Å; H341-H345 AromaticContact ND1-CD2 3.32Å; H341-H345 PolarHBondContact ND1-CD2 2.9Å; H341-H345 VanDerWaalsContact ND1-CD2 3.32Å; H341-H345 AromaticContact ND1-CE1 3.17Å; H341-H345 PolarHBondContact ND1-CE1 3.41Å; H341-H345 AromaticContact ND1-CG 3.08Å; H341-H345 AromaticContact ND1-ND1 2.95Å; H341-H345 PolarHBondContact ND1-ND1 3.03Å; H341-H345 AromaticContact ND1-NE2 3.36Å; H341-H345 PolarHBondContact ND1-NE2 2.95Å; H341-H345 AromaticContact NE2-CG 3.81Å; H341-H345 AromaticContact NE2-ND1 3.29Å; H341-H345 PolarHBondContact NE2-ND1 2.99Å; H341-H345 PolarHBondContact O-CD2 3.31Å; H341-H345 PolarHBondContact O-N 3.28Å; H341-F384 HydrophobicContact CB-CB 4.16Å; H341-F384 HydrophobicContact CB-CD1 3.96Å; H341-F384 HydrophobicContact CB-CD2 4.19Å; H341-F384 HydrophobicContact CB-CE1 4.36Å; H341-F384 HydrophobicContact CB-CG 3.86Å; H341-R895 VanDerWaalsContact CD2-CZ 3.46Å; H341-R895 PolarHBondContact CD2-NH1 3.34Å; H341-R895 PolarHBondContact CD2-NH2 2.98Å; H341-R895 PolarHBondContact ND1-NH1 3.33Å |
| 342 | E | 78.3 | Confident | 86.8 | Confident | 58 Ų | 58 | 22.9 Ų | 22.9 | 27% | 0.271 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -55.7 | -48.1 | -164.4 | -79.1 | 153.8 | -127.2 | 0 | 0 | 113.3 | L307 F337 S340 F344 H345 L346 | L307-E342 HydrophobicContact CD2-CB 3.68Å; F337-E342 HydrophobicContact CE1-CB 4.48Å; S340-E342 PolarHBondContact O-N 2.87Å; S340-E342 WeakPolarHBondContact OG-CG 3.27Å; S340-E342 PolarHBondContact OG-N 3.48Å; S340-E342 PolarHBondContact OG-OE1 3.15Å; E342-F344 VanDerWaalsContact C-N 3.25Å; E342-F344 PolarHBondContact O-N 2.95Å; E342-H345 PolarHBondContact O-N 2.99Å; E342-H345 VanDerWaalsContact O-N 3.11Å; E342-L346 WeakPolarHBondContact O-CG 3.39Å; E342-L346 PolarHBondContact O-N 2.95Å |
| 343 | A | 85.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.3 | -33 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L307 I310 F337 H341 | L307-A343 HydrophobicContact CD2-CB 4.14Å; I310-A343 HydrophobicContact CD1-CB 3.96Å; I310-A343 HydrophobicContact CG2-CB 4.4Å; F337-A343 HydrophobicContact CD1-CB 3.41Å; F337-A343 VanDerWaalsContact CD1-CB 3.41Å; F337-A343 HydrophobicContact CE1-CB 3.53Å; F337-A343 HydrophobicContact CG-CB 3.98Å; F337-A343 HydrophobicContact CZ-CB 4.16Å; H341-A343 PolarHBondContact O-N 2.95Å |
| 344 | F | 93.6 | Very high | 87 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74.8 | -40.8 | 173.1 | 176.7 | -125.8 | 0 | 0 | 0 | 111.8 | L334 H341 E342 L346 L347 L348 I351 V377 M380 V381 Y391 | L334-F344 HydrophobicContact CD2-CB 3.94Å; H341-F344 WeakPolarHBondContact O-CB 3.48Å; H341-F344 PolarHBondContact O-N 3.41Å; E342-F344 VanDerWaalsContact C-N 3.25Å; E342-F344 PolarHBondContact O-N 2.95Å; F344-L346 VanDerWaalsContact C-N 3.3Å; F344-L346 PolarHBondContact O-N 3.36Å; F344-L347 WeakPolarHBondContact O-CB 3.33Å; F344-L347 PolarHBondContact O-N 3.01Å; F344-L348 HydrophobicContact CD1-CD2 4.47Å; F344-L348 HydrophobicContact CE1-CD2 3.86Å; F344-L348 HydrophobicContact CE2-CD2 4.17Å; F344-L348 HydrophobicContact CZ-CD2 3.68Å; F344-I351 HydrophobicContact CE2-CD1 4.19Å; F344-V377 HydrophobicContact CE2-CG2 4.32Å; F344-V377 HydrophobicContact CZ-CG1 4.29Å; F344-M380 HydrophobicContact CB-CB 4.4Å; F344-M380 HydrophobicContact CB-CG 4.36Å; F344-M380 HydrophobicContact CD1-CB 3.6Å; F344-M380 HydrophobicContact CD1-CG 4.43Å; F344-M380 HydrophobicContact CD2-CB 3.63Å; F344-M380 HydrophobicContact CD2-CG 3.76Å; F344-M380 HydrophobicContact CE1-CB 3.62Å; F344-M380 HydrophobicContact CE2-CB 3.66Å; F344-M380 HydrophobicContact CE2-CG 4.13Å; F344-M380 HydrophobicContact CG-CB 3.61Å; F344-M380 HydrophobicContact CG-CG 3.94Å; F344-M380 HydrophobicContact CZ-CB 3.66Å; F344-V381 HydrophobicContact CE1-CG2 4.02Å; F344-V381 HydrophobicContact CZ-CG2 3.99Å; F344-Y391 HydrophobicContact CD1-CE1 4.31Å; F344-Y391 HydrophobicContact CE1-CD1 4.41Å; F344-Y391 AromaticContact CE1-CE1 3.69Å; F344-Y391 HydrophobicContact CE1-CE1 3.69Å |
| 345 | H | 91.1 | Very high | 87.1 | Confident | 25 Ų | 25 | 31.3 Ų | 31.3 | 12% | 0.116 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.8 | -30.4 | -178.4 | -82.2 | -136.6 | 0 | 0 | 0 | 113 | H341 E342 L347 L348 F387 Y391 | H341-H345 WeakPolarHBondContact CE1-CB 3.32Å; H341-H345 AromaticContact CE1-CD2 2.46Å; H341-H345 PolarHBondContact CE1-CD2 3.06Å; H341-H345 AromaticContact CE1-CE1 2.21Å; H341-H345 PolarHBondContact CE1-CE1 2.86Å; H341-H345 AromaticContact CE1-CG 2.23Å; H341-H345 AromaticContact CE1-ND1 2.04Å; H341-H345 PolarHBondContact CE1-ND1 2.9Å; H341-H345 AromaticContact CE1-NE2 2.43Å; H341-H345 PolarHBondContact CE1-NE2 2.99Å; H341-H345 AromaticContact CG-CD2 3.9Å; H341-H345 AromaticContact ND1-CD2 3.32Å; H341-H345 PolarHBondContact ND1-CD2 2.9Å; H341-H345 VanDerWaalsContact ND1-CD2 3.32Å; H341-H345 AromaticContact ND1-CE1 3.17Å; H341-H345 PolarHBondContact ND1-CE1 3.41Å; H341-H345 AromaticContact ND1-CG 3.08Å; H341-H345 AromaticContact ND1-ND1 2.95Å; H341-H345 PolarHBondContact ND1-ND1 3.03Å; H341-H345 AromaticContact ND1-NE2 3.36Å; H341-H345 PolarHBondContact ND1-NE2 2.95Å; H341-H345 AromaticContact NE2-CG 3.81Å; H341-H345 AromaticContact NE2-ND1 3.29Å; H341-H345 PolarHBondContact NE2-ND1 2.99Å; H341-H345 PolarHBondContact O-CD2 3.31Å; H341-H345 PolarHBondContact O-N 3.28Å; E342-H345 PolarHBondContact O-N 2.99Å; E342-H345 VanDerWaalsContact O-N 3.11Å; H345-L347 PolarHBondContact O-N 3.2Å; H345-L348 HydrophobicContact CB-CD1 4.18Å; H345-L348 PolarHBondContact O-N 3.11Å; H345-F387 AromaticContact CE1-CD1 3.89Å; H345-F387 AromaticContact CE1-CD2 3.95Å; H345-F387 AromaticContact CE1-CG 3.69Å; H345-Y391 AromaticContact NE2-CE1 3.42Å; H345-Y391 WeakPolarHBondContact NE2-CE1 3.49Å; H345-Y391 AromaticContact NE2-CZ 3.6Å; H345-Y391 PolarHBondContact NE2-OH 2.87Å |
| 346 | L | 90.3 | Very high | 87.3 | Confident | 63 Ų | 63 | 34.2 Ų | 34.2 | 33% | 0.33 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23 | 168.8 | -71.2 | 172.1 | 0 | 0 | 0 | 113.6 | L307 I310 E311 E342 F344 H350 | L307-L346 HydrophobicContact CD2-CD1 4.25Å; I310-L346 HydrophobicContact CG2-CB 4.46Å; I310-L346 HydrophobicContact CG2-CD1 4.12Å; E311-L346 HydrophobicContact CG-CB 4.15Å; E342-L346 WeakPolarHBondContact O-CG 3.39Å; E342-L346 PolarHBondContact O-N 2.95Å; F344-L346 VanDerWaalsContact C-N 3.3Å; F344-L346 PolarHBondContact O-N 3.36Å; L346-H350 PolarHBondContact O-CD2 3.03Å |
| 347 | L | 94.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -23.9 | -177.2 | -55.5 | -177.5 | 0 | 0 | 0 | 113.8 | I310 E311 F314 L330 L334 F344 H345 P349 H350 I351 | I310-L347 HydrophobicContact CD1-CD1 4.05Å; I310-L347 HydrophobicContact CG1-CD1 4.09Å; I310-L347 HydrophobicContact CG1-CD2 4.26Å; I310-L347 HydrophobicContact CG1-CG 4.47Å; I310-L347 HydrophobicContact CG2-CD2 4.37Å; E311-L347 HydrophobicContact CG-CD2 4.26Å; F314-L347 HydrophobicContact CB-CD2 3.64Å; F314-L347 HydrophobicContact CD1-CD2 4.29Å; F314-L347 HydrophobicContact CD2-CD1 4Å; F314-L347 HydrophobicContact CD2-CD2 4.21Å; F314-L347 HydrophobicContact CG-CD1 4.42Å; F314-L347 HydrophobicContact CG-CD2 3.79Å; L330-L347 HydrophobicContact CD1-CD1 3.9Å; L334-L347 HydrophobicContact CD1-CD1 3.97Å; F344-L347 WeakPolarHBondContact O-CB 3.33Å; F344-L347 PolarHBondContact O-N 3.01Å; H345-L347 PolarHBondContact O-N 3.2Å; L347-P349 VanDerWaalsContact C-CD 3.42Å; L347-H350 WeakPolarHBondContact O-CA 3.48Å; L347-H350 WeakPolarHBondContact O-CB 3.26Å; L347-H350 PolarHBondContact O-N 2.88Å; L347-I351 HydrophobicContact CB-CD1 4.05Å; L347-I351 HydrophobicContact CB-CG1 4.32Å; L347-I351 WeakPolarHBondContact O-CG1 3.16Å; L347-I351 PolarHBondContact O-N 3.29Å; L347-I351 VanDerWaalsContact O-N 3.1Å |
| 348 | L | 92.3 | Very high | 88.2 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -43.5 | -174.9 | -59 | 170.1 | 0 | 0 | 0 | 113.8 | F344 H345 H350 I351 P352 L390 Y391 V394 | F344-L348 HydrophobicContact CD1-CD2 4.47Å; F344-L348 HydrophobicContact CE1-CD2 3.86Å; F344-L348 HydrophobicContact CE2-CD2 4.17Å; F344-L348 HydrophobicContact CZ-CD2 3.68Å; H345-L348 HydrophobicContact CB-CD1 4.18Å; H345-L348 PolarHBondContact O-N 3.11Å; L348-H350 PolarHBondContact O-N 3.29Å; L348-I351 HydrophobicContact CD2-CD1 4.5Å; L348-P352 VanDerWaalsContact O-CD 3.27Å; L348-P352 WeakPolarHBondContact O-CD 3.36Å; L348-L390 HydrophobicContact CD1-CB 4.21Å; L348-Y391 HydrophobicContact CD1-CD1 4.01Å; L348-Y391 HydrophobicContact CD1-CE1 3.9Å; L348-Y391 HydrophobicContact CD2-CD1 3.91Å; L348-Y391 HydrophobicContact CD2-CE1 4.1Å; L348-V394 HydrophobicContact CB-CG2 4.18Å; L348-V394 HydrophobicContact CD2-CG2 3.89Å |
| 349 | P | 92 | Very high | 88.8 | Confident | 89 Ų | 89 | 40.3 Ų | 40.3 | 58% | 0.578 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.4 | 178.8 | -20.4 | 34.4 | 0 | 0 | 0 | 114.2 | L347 | L347-P349 VanDerWaalsContact C-CD 3.42Š|
| 350 | H | 94.3 | Very high | 90.1 | Very high | 64 Ų | 64 | 47.6 Ų | 47.6 | 30% | 0.296 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -26.6 | -174.8 | -53.7 | -65.9 | 0 | 0 | 0 | 112.9 | E311 F314 L346 L347 L348 R353 M354 | E311-H350 IonicContact OE1-CD2 3.14Å; E311-H350 IonicContact OE1-CE1 3.85Å; E311-H350 IonicContact OE1-NE2 2.78Å; E311-H350 PolarHBondContact OE1-NE2 3.3Å; F314-H350 HydrophobicContact CD1-CB 4.01Å; F314-H350 HydrophobicContact CE1-CB 3.62Å; L346-H350 PolarHBondContact O-CD2 3.03Å; L347-H350 WeakPolarHBondContact O-CA 3.48Å; L347-H350 WeakPolarHBondContact O-CB 3.26Å; L347-H350 PolarHBondContact O-N 2.88Å; L348-H350 PolarHBondContact O-N 3.29Å; H350-R353 PolarHBondContact O-N 3.02Å; H350-M354 PolarHBondContact O-N 3.07Å |
| 351 | I | 94.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.8 | -47.8 | -175 | -67.8 | 160.4 | 0 | 0 | 0 | 113.2 | F314 F344 L347 L348 R353 M354 V355 V377 V394 | F314-I351 HydrophobicContact CE1-CG1 4.41Å; F314-I351 HydrophobicContact CE2-CG1 3.96Å; F314-I351 HydrophobicContact CZ-CB 4.34Å; F314-I351 HydrophobicContact CZ-CG1 3.58Å; F344-I351 HydrophobicContact CE2-CD1 4.19Å; L347-I351 HydrophobicContact CB-CD1 4.05Å; L347-I351 HydrophobicContact CB-CG1 4.32Å; L347-I351 WeakPolarHBondContact O-CG1 3.16Å; L347-I351 PolarHBondContact O-N 3.29Å; L347-I351 VanDerWaalsContact O-N 3.1Å; L348-I351 HydrophobicContact CD2-CD1 4.5Å; I351-R353 VanDerWaalsContact C-N 3.26Å; I351-R353 PolarHBondContact O-N 3.29Å; I351-M354 WeakPolarHBondContact O-CB 3.42Å; I351-M354 PolarHBondContact O-N 2.99Å; I351-M354 VanDerWaalsContact O-N 3.09Å; I351-V355 HydrophobicContact CG2-CG2 4Å; I351-V355 WeakPolarHBondContact O-CG2 3.25Å; I351-V355 PolarHBondContact O-N 3.24Å; I351-V377 HydrophobicContact CD1-CG2 4.03Å; I351-V394 HydrophobicContact CB-CG1 4.18Å; I351-V394 HydrophobicContact CB-CG2 4.48Å; I351-V394 HydrophobicContact CD1-CG1 4.18Å; I351-V394 HydrophobicContact CG2-CG1 3.77Å |
| 352 | P | 93.6 | Very high | 91 | Very high | 38 Ų | 38 | 55.6 Ų | 55.6 | 25% | 0.247 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -35.4 | -179.2 | -25.4 | 36.2 | 0 | 0 | 0 | 112.9 | L348 A356 P393 V394 A397 | L348-P352 VanDerWaalsContact O-CD 3.27Å; L348-P352 WeakPolarHBondContact O-CD 3.36Å; P352-A356 VanDerWaalsContact O-CB 3.32Å; P352-A356 WeakPolarHBondContact O-CB 3.37Å; P352-A356 PolarHBondContact O-N 3.08Å; P352-P393 WeakPolarHBondContact CG-O 3.49Å; P352-V394 HydrophobicContact CG-CG2 4.24Å; P352-A397 HydrophobicContact CB-CB 3.97Å; P352-A397 HydrophobicContact CG-CB 4.31Å |
| 353 | R | 93.7 | Very high | 91.6 | Very high | 187 Ų | 187 | 54.2 Ų | 54.2 | 71% | 0.706 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.9 | -38.9 | 175.8 | -63.6 | 178.1 | 178.4 | 172.8 | 0.5 | 112 | H350 I351 S357 | H350-R353 PolarHBondContact O-N 3.02Å; I351-R353 VanDerWaalsContact C-N 3.26Å; I351-R353 PolarHBondContact O-N 3.29Å; R353-S357 WeakPolarHBondContact O-CB 3.37Å; R353-S357 PolarHBondContact O-N 2.99Å; R353-S357 VanDerWaalsContact O-N 3.14Å; R353-S357 PolarHBondContact O-OG 3.06Å |
| 354 | M | 93.7 | Very high | 91.8 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.039 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.7 | -51.2 | 174.4 | -175.2 | 66.2 | 68.2 | 0 | 0 | 110.7 | F314 L317 L318 H350 I351 S357 L358 L373 | F314-M354 HydrophobicContact CD1-CE 3.69Å; F314-M354 HydrophobicContact CE1-CB 3.85Å; F314-M354 HydrophobicContact CE1-CE 3.42Å; F314-M354 VanDerWaalsContact CE1-CE 3.42Å; F314-M354 HydrophobicContact CE1-CG 4.09Å; F314-M354 HydrophobicContact CE2-CG 4.48Å; F314-M354 HydrophobicContact CG-CE 4.37Å; F314-M354 HydrophobicContact CZ-CB 3.68Å; F314-M354 HydrophobicContact CZ-CE 3.92Å; F314-M354 HydrophobicContact CZ-CG 3.73Å; F314-M354 WeakPolarHBondContact O-CE 3.43Å; L317-M354 HydrophobicContact CB-CE 3.95Å; L317-M354 HydrophobicContact CB-SD 3.7Å; L318-M354 HydrophobicContact CD2-CE 4.34Å; L318-M354 HydrophobicContact CD2-SD 3.5Å; L318-M354 WeakPolarHBondContact CD2-SD 3.48Å; L318-M354 HydrophobicContact CG-CE 3.88Å; L318-M354 HydrophobicContact CG-SD 3.61Å; H350-M354 PolarHBondContact O-N 3.07Å; I351-M354 WeakPolarHBondContact O-CB 3.42Å; I351-M354 PolarHBondContact O-N 2.99Å; I351-M354 VanDerWaalsContact O-N 3.09Å; M354-S357 WeakPolarHBondContact O-CB 3.37Å; M354-S357 PolarHBondContact O-N 2.88Å; M354-L358 HydrophobicContact CG-CD1 3.99Å; M354-L358 WeakPolarHBondContact O-CG 3.44Å; M354-L358 PolarHBondContact O-N 2.83Å; M354-L358 HydrophobicContact SD-CD1 4.23Å; M354-L358 HydrophobicContact SD-CG 4.48Å; M354-L373 HydrophobicContact CG-CD2 4.24Å |
| 355 | V | 94.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.5 | -50.2 | -178 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | I351 S357 L358 V359 L370 L373 A397 I398 | I351-V355 HydrophobicContact CG2-CG2 4Å; I351-V355 WeakPolarHBondContact O-CG2 3.25Å; I351-V355 PolarHBondContact O-N 3.24Å; V355-S357 PolarHBondContact O-N 3.28Å; V355-L358 PolarHBondContact O-N 3.23Å; V355-L358 VanDerWaalsContact O-N 3.14Å; V355-V359 HydrophobicContact CG1-CG2 4.1Å; V355-V359 WeakPolarHBondContact O-CB 3.39Å; V355-V359 WeakPolarHBondContact O-CG2 3.49Å; V355-V359 PolarHBondContact O-N 2.9Å; V355-L370 HydrophobicContact CB-CD2 4.13Å; V355-L370 HydrophobicContact CG1-CD2 3.83Å; V355-L370 HydrophobicContact CG2-CD2 4.03Å; V355-L373 HydrophobicContact CG2-CD2 4.21Å; V355-A397 VanDerWaalsContact CG1-O 3.26Å; V355-A397 WeakPolarHBondContact CG1-O 3.33Å; V355-I398 HydrophobicContact CG2-CG2 3.98Å |
| 356 | A | 92.9 | Very high | 91.5 | Very high | 63 Ų | 63 | 62.2 Ų | 62.2 | 52% | 0.521 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.2 | -30.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P352 K360 | P352-A356 VanDerWaalsContact O-CB 3.32Å; P352-A356 WeakPolarHBondContact O-CB 3.37Å; P352-A356 PolarHBondContact O-N 3.08Å; A356-K360 WeakPolarHBondContact O-CB 3.43Å; A356-K360 PolarHBondContact O-N 2.73Å |
| 357 | S | 93.1 | Very high | 91.5 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -74.6 | -42.4 | 175.8 | -58 | 0 | 0 | 0 | 0 | 112.3 | R353 M354 V355 K360 E361 | R353-S357 WeakPolarHBondContact O-CB 3.37Å; R353-S357 PolarHBondContact O-N 2.99Å; R353-S357 VanDerWaalsContact O-N 3.14Å; R353-S357 PolarHBondContact O-OG 3.06Å; M354-S357 WeakPolarHBondContact O-CB 3.37Å; M354-S357 PolarHBondContact O-N 2.88Å; V355-S357 PolarHBondContact O-N 3.28Å; S357-K360 PolarHBondContact O-N 3.31Å; S357-E361 PolarHBondContact O-N 3.27Å |
| 358 | L | 91.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.6 | -37.8 | 179.9 | -68.4 | 173.6 | 0 | 0 | 0 | 112.5 | M354 V355 K360 E361 L370 | M354-L358 HydrophobicContact CG-CD1 3.99Å; M354-L358 WeakPolarHBondContact O-CG 3.44Å; M354-L358 PolarHBondContact O-N 2.83Å; M354-L358 HydrophobicContact SD-CD1 4.23Å; M354-L358 HydrophobicContact SD-CG 4.48Å; V355-L358 PolarHBondContact O-N 3.23Å; V355-L358 VanDerWaalsContact O-N 3.14Å; L358-K360 VanDerWaalsContact C-N 3.27Å; L358-K360 PolarHBondContact O-N 3.44Å; L358-E361 WeakPolarHBondContact O-CB 3.34Å; L358-E361 PolarHBondContact O-N 2.87Å; L358-E361 VanDerWaalsContact O-N 3.11Å; L358-L370 HydrophobicContact CB-CD1 3.99Å; L358-L370 HydrophobicContact CB-CD2 3.83Å; L358-L370 HydrophobicContact CB-CG 3.84Å; L358-L370 HydrophobicContact CD1-CD2 4.02Å; L358-L370 HydrophobicContact CD1-CG 4.25Å |
| 359 | V | 90.6 | Very high | 91.5 | Very high | 88 Ų | 88 | 64.1 Ų | 64.1 | 53% | 0.533 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 173.6 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | V355 E361 L370 | V355-V359 HydrophobicContact CG1-CG2 4.1Å; V355-V359 WeakPolarHBondContact O-CB 3.39Å; V355-V359 WeakPolarHBondContact O-CG2 3.49Å; V355-V359 PolarHBondContact O-N 2.9Å; V359-E361 VanDerWaalsContact C-N 3.28Å; V359-E361 PolarHBondContact O-N 3.07Å; V359-L370 HydrophobicContact CB-CD1 4.49Å; V359-L370 HydrophobicContact CG2-CD1 3.6Å; V359-L370 HydrophobicContact CG2-CD2 4.42Å |
| 360 | K | 91.4 | Very high | 91.6 | Very high | 187 Ų | 187 | 60.2 Ų | 60.2 | 81% | 0.813 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -16 | 175.8 | -174.9 | 175.9 | 175.9 | -174.5 | 0 | 113.9 | A356 S357 L358 | A356-K360 WeakPolarHBondContact O-CB 3.43Å; A356-K360 PolarHBondContact O-N 2.73Å; S357-K360 PolarHBondContact O-N 3.31Å; L358-K360 VanDerWaalsContact C-N 3.27Å; L358-K360 PolarHBondContact O-N 3.44Å |
| 361 | E | 89.1 | Confident | 91.4 | Very high | 67 Ų | 67 | 62.3 Ų | 62.3 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -25.9 | -180 | -162.2 | -172.1 | 105.8 | 0 | 0 | 112.8 | R323 S357 L358 V359 S363 | R323-E361 IonicContact CZ-OE1 2.7Å; R323-E361 IonicContact CZ-OE2 3.64Å; R323-E361 IonicContact NH1-OE1 3.33Å; R323-E361 PolarHBondContact NH1-OE1 2.85Å; R323-E361 IonicContact NH1-OE2 2.7Å; R323-E361 PolarHBondContact NH1-OE2 3.18Å; R323-E361 IonicContact NH2-OE1 3.76Å; R323-E361 IonicContact NH2-OE2 2.7Å; R323-E361 PolarHBondContact NH2-OE2 2.88Å; S357-E361 PolarHBondContact O-N 3.27Å; L358-E361 WeakPolarHBondContact O-CB 3.34Å; L358-E361 PolarHBondContact O-N 2.87Å; L358-E361 VanDerWaalsContact O-N 3.11Å; V359-E361 VanDerWaalsContact C-N 3.28Å; V359-E361 PolarHBondContact O-N 3.07Å; E361-S363 VanDerWaalsContact C-N 3.28Å; E361-S363 PolarHBondContact O-N 3.21Å; E361-S363 WeakPolarHBondContact OE1-CB 3.46Å; E361-S363 PolarHBondContact OE1-OG 3.26Å |
| 362 | D | 81.2 | Confident | 91.3 | Very high | 148 Ų | 148 | 65.7 Ų | 65.7 | 79% | 0.791 | 35% | 0.351 | S | S | * | . | trans | 44.3 | 49.7 | -178.4 | -162.2 | 23 | 0 | 0 | 0 | 113.4 | ||||
| 363 | S | 91.3 | Very high | 91.4 | Very high | 29 Ų | 29 | 64.1 Ų | 64.1 | 20% | 0.203 | 34% | 0.341 | C | S | . | . | trans | -123.7 | 143.8 | -178.7 | 101.6 | 0 | 0 | 0 | 0 | 111.7 | E361 S365 G366 T367 | E361-S363 VanDerWaalsContact C-N 3.28Å; E361-S363 PolarHBondContact O-N 3.21Å; E361-S363 WeakPolarHBondContact OE1-CB 3.46Å; E361-S363 PolarHBondContact OE1-OG 3.26Å; S363-S365 PolarHBondContact O-N 3.05Å; S363-S365 PolarHBondContact OG-N 2.76Å; S363-S365 PolarHBondContact OG-OG 2.74Å; S363-G366 WeakPolarHBondContact O-CA 3.05Å; S363-G366 PolarHBondContact O-N 2.85Å; S363-G366 PolarHBondContact OG-N 2.99Å; S363-G366 VanDerWaalsContact OG-N 3.09Å; S363-T367 PolarHBondContact O-N 3.47Å; S363-T367 PolarHBondContact O-OG1 2.91Å | ||
| 364 | N | 88 | Confident | 91.3 | Very high | 146 Ų | 146 | 55.2 Ų | 55.2 | 78% | 0.781 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -55.3 | -24.2 | 176.4 | -60.6 | 4.7 | 0 | 0 | 0 | 113.3 | T367 S368 | N364-T367 WeakPolarHBondContact CA-OG1 3.13Å; N364-T367 PolarHBondContact O-OG1 3.43Å; N364-S368 WeakPolarHBondContact O-CB 3.39Å; N364-S368 PolarHBondContact O-N 2.76Å |
| 365 | S | 89.4 | Confident | 91.3 | Very high | 50 Ų | 50 | 56 Ų | 56 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -86.5 | -23.8 | 176 | 76.5 | 0 | 0 | 0 | 0 | 112.9 | R323 S363 C369 | R323-S365 WeakPolarHBondContact CD-O 3.4Å; R323-S365 PolarHBondContact NH1-OG 3.31Å; S363-S365 PolarHBondContact O-N 3.05Å; S363-S365 PolarHBondContact OG-N 2.76Å; S363-S365 PolarHBondContact OG-OG 2.74Å; S365-C369 VanDerWaalsContact O-CB 3.27Å; S365-C369 WeakPolarHBondContact O-CB 3.41Å; S365-C369 PolarHBondContact O-N 2.94Å |
| 366 | G | 90.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.1 | -49.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S363 C369 L370 | S363-G366 WeakPolarHBondContact O-CA 3.05Å; S363-G366 PolarHBondContact O-N 2.85Å; S363-G366 PolarHBondContact OG-N 2.99Å; S363-G366 VanDerWaalsContact OG-N 3.09Å; G366-C369 CarbonylContact O-C 3.29Å; G366-C369 WeakPolarHBondContact O-CB 3.34Å; G366-C369 PolarHBondContact O-N 3.17Å; G366-C369 VanDerWaalsContact O-N 3.11Å; G366-L370 WeakPolarHBondContact O-CG 3.4Å; G366-L370 PolarHBondContact O-N 3.42Å |
| 367 | T | 90.6 | Very high | 91.2 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 39% | 0.393 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 178.5 | 52.4 | 0 | 0 | 0 | 0 | 112.2 | S363 N364 C369 L370 E371 | S363-T367 PolarHBondContact O-N 3.47Å; S363-T367 PolarHBondContact O-OG1 2.91Å; N364-T367 WeakPolarHBondContact CA-OG1 3.13Å; N364-T367 PolarHBondContact O-OG1 3.43Å; T367-C369 PolarHBondContact O-N 3.38Å; T367-C369 VanDerWaalsContact O-N 3.16Å; T367-L370 WeakPolarHBondContact O-CA 3.14Å; T367-L370 WeakPolarHBondContact O-CB 3.44Å; T367-L370 PolarHBondContact O-N 2.99Å; T367-E371 WeakPolarHBondContact O-CG 3.5Å; T367-E371 PolarHBondContact O-N 3.47Å |
| 368 | S | 92.4 | Very high | 91 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.8 | -23.4 | 177.1 | -171.6 | 0 | 0 | 0 | 0 | 113.7 | N364 E371 Q372 | N364-S368 WeakPolarHBondContact O-CB 3.39Å; N364-S368 PolarHBondContact O-N 2.76Å; S368-E371 WeakPolarHBondContact CA-OE2 3.47Å; S368-Q372 WeakPolarHBondContact O-CG 3.22Å; S368-Q372 PolarHBondContact O-N 3.42Å; S368-Q372 PolarHBondContact O-NE2 2.67Å; S368-Q372 PolarHBondContact OG-NE2 2.99Å |
| 369 | C | 93.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -80.3 | -33.5 | 171.9 | -174 | 0 | 0 | 0 | 0 | 112.4 | R323 L327 S365 G366 T367 L373 | R323-C369 HydrophobicContact CG-CB 4.08Å; L327-C369 HydrophobicContact CD2-CB 4.39Å; S365-C369 VanDerWaalsContact O-CB 3.27Å; S365-C369 WeakPolarHBondContact O-CB 3.41Å; S365-C369 PolarHBondContact O-N 2.94Å; G366-C369 CarbonylContact O-C 3.29Å; G366-C369 WeakPolarHBondContact O-CB 3.34Å; G366-C369 PolarHBondContact O-N 3.17Å; G366-C369 VanDerWaalsContact O-N 3.11Å; T367-C369 PolarHBondContact O-N 3.38Å; T367-C369 VanDerWaalsContact O-N 3.16Å; C369-L373 WeakPolarHBondContact O-CB 3.5Å; C369-L373 PolarHBondContact O-N 3.12Å |
| 370 | L | 93.4 | Very high | 90.7 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.2 | -44.4 | 173.9 | -75 | 169.1 | 0 | 0 | 0 | 111.5 | V355 L358 V359 G366 T367 Q372 L373 S374 L401 | V355-L370 HydrophobicContact CB-CD2 4.13Å; V355-L370 HydrophobicContact CG1-CD2 3.83Å; V355-L370 HydrophobicContact CG2-CD2 4.03Å; L358-L370 HydrophobicContact CB-CD1 3.99Å; L358-L370 HydrophobicContact CB-CD2 3.83Å; L358-L370 HydrophobicContact CB-CG 3.84Å; L358-L370 HydrophobicContact CD1-CD2 4.02Å; L358-L370 HydrophobicContact CD1-CG 4.25Å; V359-L370 HydrophobicContact CB-CD1 4.49Å; V359-L370 HydrophobicContact CG2-CD1 3.6Å; V359-L370 HydrophobicContact CG2-CD2 4.42Å; G366-L370 WeakPolarHBondContact O-CG 3.4Å; G366-L370 PolarHBondContact O-N 3.42Å; T367-L370 WeakPolarHBondContact O-CA 3.14Å; T367-L370 WeakPolarHBondContact O-CB 3.44Å; T367-L370 PolarHBondContact O-N 2.99Å; L370-Q372 PolarHBondContact O-N 2.93Å; L370-L373 PolarHBondContact O-N 3.13Å; L370-S374 WeakPolarHBondContact O-CB 3.24Å; L370-S374 PolarHBondContact O-N 2.99Å; L370-L401 HydrophobicContact CB-CD1 4.08Å; L370-L401 HydrophobicContact CB-CD2 4.25Å; L370-L401 HydrophobicContact CD2-CD1 4.24Å |
| 371 | E | 91.5 | Very high | 90.4 | Very high | 108 Ų | 108 | 39.1 Ų | 39.1 | 51% | 0.505 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.4 | -50.6 | 175.1 | -69.4 | 166.7 | 168.6 | 0 | 0 | 111.6 | T367 S368 S374 E375 | T367-E371 WeakPolarHBondContact O-CG 3.5Å; T367-E371 PolarHBondContact O-N 3.47Å; S368-E371 WeakPolarHBondContact CA-OE2 3.47Å; E371-S374 WeakPolarHBondContact O-CB 3.22Å; E371-S374 PolarHBondContact O-N 2.81Å; E371-E375 PolarHBondContact O-N 3.15Å |
| 372 | Q | 92.7 | Very high | 90 | Very high | 72 Ų | 72 | 39.8 Ų | 39.8 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.1 | -31.7 | 179.7 | -74.4 | 175.6 | 84.1 | 0 | 0 | 113.2 | L327 S368 L370 L376 | L327-Q372 HydrophobicContact CD1-CB 4.45Å; L327-Q372 HydrophobicContact CD2-CB 3.85Å; L327-Q372 HydrophobicContact CD2-CG 4.43Å; L327-Q372 HydrophobicContact CG-CB 4.5Å; S368-Q372 WeakPolarHBondContact O-CG 3.22Å; S368-Q372 PolarHBondContact O-N 3.42Å; S368-Q372 PolarHBondContact O-NE2 2.67Å; S368-Q372 PolarHBondContact OG-NE2 2.99Å; L370-Q372 PolarHBondContact O-N 2.93Å; Q372-L376 VanDerWaalsContact O-CB 3.28Å; Q372-L376 WeakPolarHBondContact O-CB 3.36Å; Q372-L376 PolarHBondContact O-N 2.86Å |
| 373 | L | 94 | Very high | 90 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.1 | -38.9 | 172.7 | -179.3 | 59.3 | 0 | 0 | 0 | 110.9 | F314 M354 V355 C369 L370 L376 V377 | F314-L373 HydrophobicContact CE2-CD1 4.01Å; F314-L373 HydrophobicContact CE2-CD2 4.33Å; M354-L373 HydrophobicContact CG-CD2 4.24Å; V355-L373 HydrophobicContact CG2-CD2 4.21Å; C369-L373 WeakPolarHBondContact O-CB 3.5Å; C369-L373 PolarHBondContact O-N 3.12Å; L370-L373 PolarHBondContact O-N 3.13Å; L373-L376 PolarHBondContact O-N 2.86Å; L373-V377 HydrophobicContact CD1-CG2 4.06Å; L373-V377 HydrophobicContact CG-CG2 4.36Å; L373-V377 WeakPolarHBondContact O-CB 3.45Å; L373-V377 VanDerWaalsContact O-CG2 3.24Å; L373-V377 WeakPolarHBondContact O-CG2 3.35Å; L373-V377 PolarHBondContact O-N 2.96Å |
| 374 | S | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60 | -52.8 | 171.7 | -170.9 | 0 | 0 | 0 | 0 | 110.7 | L370 E371 L376 V377 H378 H402 | L370-S374 WeakPolarHBondContact O-CB 3.24Å; L370-S374 PolarHBondContact O-N 2.99Å; E371-S374 WeakPolarHBondContact O-CB 3.22Å; E371-S374 PolarHBondContact O-N 2.81Å; S374-L376 PolarHBondContact O-N 2.91Å; S374-V377 PolarHBondContact O-N 3.13Å; S374-H378 PolarHBondContact O-CD2 3.49Å; S374-H378 PolarHBondContact O-N 3.49Å; S374-H378 PolarHBondContact OG-CD2 2.76Å; S374-H402 PolarHBondContact OG-O 3.12Å |
| 375 | E | 92.1 | Very high | 88.6 | Confident | 24 Ų | 24 | 32.1 Ų | 32.1 | 11% | 0.112 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -51.5 | -45.1 | 176.6 | -168.8 | -166.5 | -132.2 | 0 | 0 | 111 | K331 E371 C379 P404 R408 L412 | K331-E375 IonicContact NZ-OE2 3.97Å; K331-E375 PolarHBondContact NZ-OE2 3.49Å; E371-E375 PolarHBondContact O-N 3.15Å; E375-C379 WeakPolarHBondContact O-CB 3.13Å; E375-C379 PolarHBondContact O-N 3.39Å; E375-C379 PolarHBondContact O-SG 2.61Å; E375-P404 HydrophobicContact CG-CB 4.3Å; E375-P404 HydrophobicContact CG-CG 4.33Å; E375-R408 IonicContact OE1-CZ 3.93Å; E375-R408 VanDerWaalsContact OE1-CZ 3.31Å; E375-R408 IonicContact OE1-NE 3.69Å; E375-R408 PolarHBondContact OE1-NE 2.71Å; E375-R408 IonicContact OE1-NH2 2.9Å; E375-R408 PolarHBondContact OE1-NH2 3.42Å; E375-L412 VanDerWaalsContact CD-CD1 3.43Å; E375-L412 HydrophobicContact CG-CD1 3.66Å; E375-L412 WeakPolarHBondContact OE1-CD1 3.37Å |
| 376 | L | 93.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.8 | -41 | -179.1 | -172.3 | 55.9 | 0 | 0 | 0 | 113.6 | L330 K331 L334 L335 Q372 L373 S374 C379 M380 | L330-L376 HydrophobicContact CD2-CD2 4.46Å; L330-L376 HydrophobicContact CG-CD2 4.25Å; K331-L376 HydrophobicContact CB-CD2 4.07Å; K331-L376 HydrophobicContact CG-CD1 4.27Å; K331-L376 HydrophobicContact CG-CD2 4.45Å; L334-L376 HydrophobicContact CB-CD1 3.98Å; L334-L376 HydrophobicContact CB-CD2 4.48Å; L334-L376 HydrophobicContact CB-CG 4.45Å; L334-L376 HydrophobicContact CD1-CD1 4.43Å; L334-L376 HydrophobicContact CD1-CD2 3.83Å; L334-L376 HydrophobicContact CD1-CG 3.99Å; L335-L376 HydrophobicContact CD2-CD1 4.04Å; L335-L376 HydrophobicContact CG-CD1 3.93Å; Q372-L376 VanDerWaalsContact O-CB 3.28Å; Q372-L376 WeakPolarHBondContact O-CB 3.36Å; Q372-L376 PolarHBondContact O-N 2.86Å; L373-L376 PolarHBondContact O-N 2.86Å; S374-L376 PolarHBondContact O-N 2.91Å; L376-C379 PolarHBondContact O-N 2.84Å; L376-M380 WeakPolarHBondContact O-CG 3.4Å; L376-M380 PolarHBondContact O-N 3.44Å |
| 377 | V | 92.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 176 | 168.5 | 0 | 0 | 0 | 0 | 110.3 | F344 I351 L373 S374 C379 M380 V381 V394 I398 | F344-V377 HydrophobicContact CE2-CG2 4.32Å; F344-V377 HydrophobicContact CZ-CG1 4.29Å; I351-V377 HydrophobicContact CD1-CG2 4.03Å; L373-V377 HydrophobicContact CD1-CG2 4.06Å; L373-V377 HydrophobicContact CG-CG2 4.36Å; L373-V377 WeakPolarHBondContact O-CB 3.45Å; L373-V377 VanDerWaalsContact O-CG2 3.24Å; L373-V377 WeakPolarHBondContact O-CG2 3.35Å; L373-V377 PolarHBondContact O-N 2.96Å; S374-V377 PolarHBondContact O-N 3.13Å; V377-C379 VanDerWaalsContact C-N 3.32Å; V377-C379 PolarHBondContact O-N 2.87Å; V377-M380 PolarHBondContact O-N 2.6Å; V377-M380 VanDerWaalsContact O-N 3.15Å; V377-V381 HydrophobicContact CG1-CG2 4.26Å; V377-V381 WeakPolarHBondContact O-CG2 3.44Å; V377-V381 PolarHBondContact O-N 3.44Å; V377-V394 HydrophobicContact CG1-CG1 3.89Å; V377-I398 HydrophobicContact CB-CD1 4.12Å; V377-I398 HydrophobicContact CG1-CD1 3.67Å |
| 378 | H | 88.4 | Confident | 85.5 | Confident | 22 Ų | 22 | 29.9 Ų | 29.9 | 10% | 0.102 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 174.2 | -78.3 | -71.7 | 0 | 0 | 0 | 112.1 | S374 M380 F382 P404 | S374-H378 PolarHBondContact O-CD2 3.49Å; S374-H378 PolarHBondContact O-N 3.49Å; S374-H378 PolarHBondContact OG-CD2 2.76Å; H378-M380 PolarHBondContact O-N 2.91Å; H378-F382 VanDerWaalsContact O-CB 3.22Å; H378-F382 WeakPolarHBondContact O-CB 3.39Å; H378-F382 PolarHBondContact O-N 2.92Å; H378-P404 HydrophobicContact CB-CG 3.8Å |
| 379 | C | 88.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 173.8 | -70.5 | 0 | 0 | 0 | 0 | 112.7 | L335 E375 L376 V377 R383 I409 L413 | L335-C379 HydrophobicContact CD2-CB 4.26Å; E375-C379 WeakPolarHBondContact O-CB 3.13Å; E375-C379 PolarHBondContact O-N 3.39Å; E375-C379 PolarHBondContact O-SG 2.61Å; L376-C379 PolarHBondContact O-N 2.84Å; V377-C379 VanDerWaalsContact C-N 3.32Å; V377-C379 PolarHBondContact O-N 2.87Å; C379-R383 VanDerWaalsContact O-CB 3.22Å; C379-R383 WeakPolarHBondContact O-CB 3.33Å; C379-R383 PolarHBondContact O-N 3.46Å; C379-I409 HydrophobicContact CB-CG2 4.44Å; C379-L413 HydrophobicContact CB-CD2 4.38Å |
| 380 | M | 88.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.4 | -40.5 | 179.8 | -68.5 | -60.7 | 101.3 | 0 | 0 | 112.9 | L334 L335 F344 L376 V377 H378 R383 F384 L413 | L334-M380 HydrophobicContact CB-CE 4.34Å; L334-M380 HydrophobicContact CB-CG 4.33Å; L334-M380 HydrophobicContact CB-SD 3.89Å; L334-M380 HydrophobicContact CD1-CG 4.36Å; L334-M380 HydrophobicContact CD2-CG 4.45Å; L334-M380 HydrophobicContact CD2-SD 4.13Å; L334-M380 HydrophobicContact CG-SD 4.49Å; L334-M380 WeakPolarHBondContact O-CE 3.48Å; L335-M380 HydrophobicContact CD2-CE 3.96Å; F344-M380 HydrophobicContact CB-CB 4.4Å; F344-M380 HydrophobicContact CB-CG 4.36Å; F344-M380 HydrophobicContact CD1-CB 3.6Å; F344-M380 HydrophobicContact CD1-CG 4.43Å; F344-M380 HydrophobicContact CD2-CB 3.63Å; F344-M380 HydrophobicContact CD2-CG 3.76Å; F344-M380 HydrophobicContact CE1-CB 3.62Å; F344-M380 HydrophobicContact CE2-CB 3.66Å; F344-M380 HydrophobicContact CE2-CG 4.13Å; F344-M380 HydrophobicContact CG-CB 3.61Å; F344-M380 HydrophobicContact CG-CG 3.94Å; F344-M380 HydrophobicContact CZ-CB 3.66Å; L376-M380 WeakPolarHBondContact O-CG 3.4Å; L376-M380 PolarHBondContact O-N 3.44Å; V377-M380 PolarHBondContact O-N 2.6Å; V377-M380 VanDerWaalsContact O-N 3.15Å; H378-M380 PolarHBondContact O-N 2.91Å; M380-R383 PolarHBondContact O-N 2.99Å; M380-F384 WeakPolarHBondContact O-CD2 3.47Å; M380-F384 PolarHBondContact O-N 3.34Å; M380-F384 HydrophobicContact SD-CD2 4.47Å; M380-F384 HydrophobicContact SD-CE2 3.97Å; M380-L413 HydrophobicContact CE-CD2 3.96Å |
| 381 | V | 84.2 | Confident | 83.5 | Confident | 24 Ų | 24 | 36.5 Ų | 36.5 | 15% | 0.145 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 175 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | F344 V377 R383 F384 Y391 M395 | F344-V381 HydrophobicContact CE1-CG2 4.02Å; F344-V381 HydrophobicContact CZ-CG2 3.99Å; V377-V381 HydrophobicContact CG1-CG2 4.26Å; V377-V381 WeakPolarHBondContact O-CG2 3.44Å; V377-V381 PolarHBondContact O-N 3.44Å; V381-R383 VanDerWaalsContact C-N 3.35Å; V381-R383 PolarHBondContact O-N 2.99Å; V381-F384 CarbonylContact O-C 3.45Å; V381-F384 PolarHBondContact O-N 3.34Å; V381-Y391 HydrophobicContact CB-CD2 4.39Å; V381-Y391 HydrophobicContact CB-CE2 4.36Å; V381-Y391 HydrophobicContact CG1-CD2 3.8Å; V381-Y391 HydrophobicContact CG1-CE2 4.04Å; V381-Y391 HydrophobicContact CG2-CD1 4.35Å; V381-Y391 HydrophobicContact CG2-CD2 4Å; V381-Y391 HydrophobicContact CG2-CE2 4.16Å; V381-Y391 HydrophobicContact CG2-CG 4.1Å; V381-M395 HydrophobicContact CG1-SD 4.46Å; V381-M395 HydrophobicContact CG2-SD 4.21Å |
| 382 | F | 80.7 | Confident | 83.1 | Confident | 80 Ų | 80 | 36.8 Ų | 36.8 | 35% | 0.351 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.3 | -38.8 | 173.7 | -177.9 | -89.4 | 0 | 0 | 0 | 112.3 | H378 E406 I409 L413 | H378-F382 VanDerWaalsContact O-CB 3.22Å; H378-F382 WeakPolarHBondContact O-CB 3.39Å; H378-F382 PolarHBondContact O-N 2.92Å; F382-E406 HydrophobicContact CD2-CG 4.48Å; F382-E406 HydrophobicContact CE2-CG 3.57Å; F382-E406 HydrophobicContact CZ-CG 3.83Å; F382-I409 HydrophobicContact CB-CG2 3.85Å; F382-I409 HydrophobicContact CD1-CG2 3.42Å; F382-I409 VanDerWaalsContact CD1-CG2 3.42Å; F382-I409 HydrophobicContact CD2-CG2 4.41Å; F382-I409 HydrophobicContact CE1-CG2 4.03Å; F382-I409 HydrophobicContact CG-CG2 3.65Å; F382-L413 HydrophobicContact CD1-CD1 3.85Å; F382-L413 HydrophobicContact CE1-CD1 4.4Å |
| 383 | R | 81 | Confident | 82.8 | Confident | 93 Ų | 93 | 36.9 Ų | 36.9 | 35% | 0.351 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70.4 | -33.1 | 178 | 177.8 | 59.7 | -163.2 | 99.1 | -0.9 | 112.9 | Q338 C379 M380 V381 P385 L413 | Q338-R383 HydrophobicContact CG-CG 4.47Å; Q338-R383 VanDerWaalsContact O-CZ 3.25Å; Q338-R383 PolarHBondContact O-NE 3.37Å; Q338-R383 VanDerWaalsContact O-NE 3.1Å; Q338-R383 PolarHBondContact O-NH2 2.95Å; C379-R383 VanDerWaalsContact O-CB 3.22Å; C379-R383 WeakPolarHBondContact O-CB 3.33Å; C379-R383 PolarHBondContact O-N 3.46Å; M380-R383 PolarHBondContact O-N 2.99Å; V381-R383 VanDerWaalsContact C-N 3.35Å; V381-R383 PolarHBondContact O-N 2.99Å; R383-P385 VanDerWaalsContact C-CD 3.45Å; R383-P385 WeakPolarHBondContact O-CD 3.37Å; R383-L413 HydrophobicContact CB-CD1 3.99Å; R383-L413 HydrophobicContact CB-CD2 3.99Å; R383-L413 HydrophobicContact CG-CD2 4.28Å |
| 384 | F | 78.6 | Confident | 82.7 | Confident | 18 Ų | 18 | 36.7 Ų | 36.7 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -123.4 | 67.5 | -174.8 | -57.6 | -63.6 | 0 | 0 | 0 | 112.3 | S340 H341 M380 V381 F387 Y391 | S340-F384 VanDerWaalsContact C-CZ 3.46Å; S340-F384 VanDerWaalsContact O-CZ 3.29Å; S340-F384 WeakPolarHBondContact O-CZ 3.44Å; H341-F384 HydrophobicContact CB-CB 4.16Å; H341-F384 HydrophobicContact CB-CD1 3.96Å; H341-F384 HydrophobicContact CB-CD2 4.19Å; H341-F384 HydrophobicContact CB-CE1 4.36Å; H341-F384 HydrophobicContact CB-CG 3.86Å; M380-F384 WeakPolarHBondContact O-CD2 3.47Å; M380-F384 PolarHBondContact O-N 3.34Å; M380-F384 HydrophobicContact SD-CD2 4.47Å; M380-F384 HydrophobicContact SD-CE2 3.97Å; V381-F384 CarbonylContact O-C 3.45Å; V381-F384 PolarHBondContact O-N 3.34Å; F384-F387 WeakPolarHBondContact O-CD2 3.29Å; F384-Y391 VanDerWaalsContact O-CE2 3.27Å; F384-Y391 WeakPolarHBondContact O-CE2 3.22Å; F384-Y391 PolarHBondContact O-OH 2.92Å |
| 385 | P | 70.9 | Confident | 82.5 | Confident | 51 Ų | 51 | 39.6 Ų | 39.6 | 33% | 0.331 | 20% | 0.202 | S | C | . | . | trans | -69.4 | 163.6 | 179.5 | 30.8 | -36.7 | 0 | 0 | 0 | 112.8 | R383 F387 | R383-P385 VanDerWaalsContact C-CD 3.45Å; R383-P385 WeakPolarHBondContact O-CD 3.37Å; P385-F387 WeakPolarHBondContact O-CE2 3.43Å | ||
| 386 | G | 63.3 | Low | 82.3 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 94.9 | 25.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 387 | F | 74.5 | Confident | 82.2 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 18% | 0.18 | 23% | 0.234 | C | C | . | . | trans | -132.2 | 55.4 | 176.1 | -54 | -83.4 | 0 | 0 | 0 | 112.9 | H345 F384 P385 D389 L390 Y391 | H345-F387 AromaticContact CE1-CD1 3.89Å; H345-F387 AromaticContact CE1-CD2 3.95Å; H345-F387 AromaticContact CE1-CG 3.69Å; F384-F387 WeakPolarHBondContact O-CD2 3.29Å; P385-F387 WeakPolarHBondContact O-CE2 3.43Å; F387-D389 PolarHBondContact O-N 3.06Å; F387-L390 HydrophobicContact CB-CB 4.24Å; F387-L390 HydrophobicContact CB-CD1 4.31Å; F387-L390 HydrophobicContact CD1-CD1 4.22Å; F387-L390 PolarHBondContact O-N 3.02Å; F387-Y391 HydrophobicContact CB-CD1 4.5Å; F387-Y391 HydrophobicContact CB-CD2 4.24Å; F387-Y391 HydrophobicContact CB-CE1 4.18Å; F387-Y391 HydrophobicContact CB-CE2 3.91Å; F387-Y391 HydrophobicContact CD2-CE2 4.24Å; F387-Y391 AromaticContact CD2-CZ 3.98Å; F387-Y391 WeakPolarHBondContact CD2-OH 3.39Å; F387-Y391 WeakPolarHBondContact O-CD2 3.48Å; F387-Y391 PolarHBondContact O-N 3.4Å; F387-Y391 VanDerWaalsContact O-N 3.14Å | ||
| 388 | P | 68 | Low | 82.1 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -49.7 | -58.7 | -176.6 | 15.8 | -27.5 | 0 | 0 | 0 | 113.3 | L390 Y391 E392 F911 | P388-L390 PolarHBondContact O-N 3.04Å; P388-Y391 PolarHBondContact O-N 2.98Å; P388-E392 PolarHBondContact O-N 3.2Å; P388-F911 HydrophobicContact CB-CE2 3.66Å; P388-F911 HydrophobicContact CB-CZ 3.83Å; P388-F911 HydrophobicContact CG-CE2 4.07Å |
| 389 | D | 73.1 | Confident | 82.1 | Confident | 103 Ų | 103 | 49.6 Ų | 49.6 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.9 | -20.6 | -174 | -37.6 | -13 | 0 | 0 | 0 | 113.6 | F387 | F387-D389 PolarHBondContact O-N 3.06Å |
| 390 | L | 76.3 | Confident | 82 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 47% | 0.471 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -94.2 | -24.3 | 176.8 | -78.8 | 165.6 | 0 | 0 | 0 | 113.3 | L348 F387 P388 | L348-L390 HydrophobicContact CD1-CB 4.21Å; F387-L390 HydrophobicContact CB-CB 4.24Å; F387-L390 HydrophobicContact CB-CD1 4.31Å; F387-L390 HydrophobicContact CD1-CD1 4.22Å; F387-L390 PolarHBondContact O-N 3.02Å; P388-L390 PolarHBondContact O-N 3.04Å |
| 391 | Y | 88.2 | Confident | 82 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -96.5 | -29.3 | -178.2 | -63.9 | -19.5 | 0 | 0 | 0 | 112.6 | F344 H345 L348 V381 F384 F387 P388 V394 M395 | F344-Y391 HydrophobicContact CD1-CE1 4.31Å; F344-Y391 HydrophobicContact CE1-CD1 4.41Å; F344-Y391 AromaticContact CE1-CE1 3.69Å; F344-Y391 HydrophobicContact CE1-CE1 3.69Å; H345-Y391 AromaticContact NE2-CE1 3.42Å; H345-Y391 WeakPolarHBondContact NE2-CE1 3.49Å; H345-Y391 AromaticContact NE2-CZ 3.6Å; H345-Y391 PolarHBondContact NE2-OH 2.87Å; L348-Y391 HydrophobicContact CD1-CD1 4.01Å; L348-Y391 HydrophobicContact CD1-CE1 3.9Å; L348-Y391 HydrophobicContact CD2-CD1 3.91Å; L348-Y391 HydrophobicContact CD2-CE1 4.1Å; V381-Y391 HydrophobicContact CB-CD2 4.39Å; V381-Y391 HydrophobicContact CB-CE2 4.36Å; V381-Y391 HydrophobicContact CG1-CD2 3.8Å; V381-Y391 HydrophobicContact CG1-CE2 4.04Å; V381-Y391 HydrophobicContact CG2-CD1 4.35Å; V381-Y391 HydrophobicContact CG2-CD2 4Å; V381-Y391 HydrophobicContact CG2-CE2 4.16Å; V381-Y391 HydrophobicContact CG2-CG 4.1Å; F384-Y391 VanDerWaalsContact O-CE2 3.27Å; F384-Y391 WeakPolarHBondContact O-CE2 3.22Å; F384-Y391 PolarHBondContact O-OH 2.92Å; F387-Y391 HydrophobicContact CB-CD1 4.5Å; F387-Y391 HydrophobicContact CB-CD2 4.24Å; F387-Y391 HydrophobicContact CB-CE1 4.18Å; F387-Y391 HydrophobicContact CB-CE2 3.91Å; F387-Y391 HydrophobicContact CD2-CE2 4.24Å; F387-Y391 AromaticContact CD2-CZ 3.98Å; F387-Y391 WeakPolarHBondContact CD2-OH 3.39Å; F387-Y391 WeakPolarHBondContact O-CD2 3.48Å; F387-Y391 PolarHBondContact O-N 3.4Å; F387-Y391 VanDerWaalsContact O-N 3.14Å; P388-Y391 PolarHBondContact O-N 2.98Å; Y391-V394 CarbonylContact O-C 3.6Å; Y391-V394 WeakPolarHBondContact O-CA 3.43Å; Y391-V394 WeakPolarHBondContact O-CB 3.26Å; Y391-V394 PolarHBondContact O-N 3.26Å; Y391-M395 WeakPolarHBondContact O-CG 3.42Å; Y391-M395 PolarHBondContact O-N 3.44Å |
| 392 | E | 83.2 | Confident | 82 | Confident | 115 Ų | 115 | 63.1 Ų | 63.1 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -47.1 | -51 | 179.9 | 169 | -177.2 | -143.8 | 0 | 0 | 113.3 | P388 V394 M395 E396 | P388-E392 PolarHBondContact O-N 3.2Å; E392-V394 PolarHBondContact O-N 3.44Å; E392-M395 PolarHBondContact O-N 3.25Å; E392-E396 WeakPolarHBondContact O-CB 3.34Å; E392-E396 PolarHBondContact O-N 3.47Å |
| 393 | P | 87.4 | Confident | 82.1 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 47% | 0.474 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.5 | -19 | 179.9 | -19.6 | 33.4 | 0 | 0 | 0 | 114.3 | P352 | P352-P393 WeakPolarHBondContact CG-O 3.49Å |
| 394 | V | 90.4 | Very high | 82.3 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -88.3 | -42.4 | 178.1 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | L348 I351 P352 V377 Y391 E392 A397 I398 | L348-V394 HydrophobicContact CB-CG2 4.18Å; L348-V394 HydrophobicContact CD2-CG2 3.89Å; I351-V394 HydrophobicContact CB-CG1 4.18Å; I351-V394 HydrophobicContact CB-CG2 4.48Å; I351-V394 HydrophobicContact CD1-CG1 4.18Å; I351-V394 HydrophobicContact CG2-CG1 3.77Å; P352-V394 HydrophobicContact CG-CG2 4.24Å; V377-V394 HydrophobicContact CG1-CG1 3.89Å; Y391-V394 CarbonylContact O-C 3.6Å; Y391-V394 WeakPolarHBondContact O-CA 3.43Å; Y391-V394 WeakPolarHBondContact O-CB 3.26Å; Y391-V394 PolarHBondContact O-N 3.26Å; E392-V394 PolarHBondContact O-N 3.44Å; V394-A397 WeakPolarHBondContact O-CB 3.32Å; V394-A397 PolarHBondContact O-N 3.1Å; V394-I398 PolarHBondContact O-N 2.8Å |
| 395 | M | 89.5 | Confident | 82.4 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 176.8 | -64.9 | -59.4 | -59.6 | 0 | 0 | 111.3 | V381 Y391 E392 A397 I398 K399 | V381-M395 HydrophobicContact CG1-SD 4.46Å; V381-M395 HydrophobicContact CG2-SD 4.21Å; Y391-M395 WeakPolarHBondContact O-CG 3.42Å; Y391-M395 PolarHBondContact O-N 3.44Å; E392-M395 PolarHBondContact O-N 3.25Å; M395-A397 PolarHBondContact O-N 2.75Å; M395-I398 PolarHBondContact O-N 2.63Å; M395-I398 VanDerWaalsContact O-N 3.08Å; M395-I398 HydrophobicContact SD-CD1 4.35Å; M395-K399 PolarHBondContact O-N 3.3Å |
| 396 | E | 88.8 | Confident | 82.6 | Confident | 113 Ų | 113 | 63.2 Ų | 63.2 | 53% | 0.528 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -29.7 | 174.6 | 175.9 | 59.3 | -164.8 | 0 | 0 | 112.2 | E392 K399 | E392-E396 WeakPolarHBondContact O-CB 3.34Å; E392-E396 PolarHBondContact O-N 3.47Å; E396-K399 WeakPolarHBondContact O-CD 3.46Å; E396-K399 IonicContact OE1-NZ 3.7Å; E396-K399 PolarHBondContact OE1-NZ 3.19Å; E396-K399 VanDerWaalsContact OE2-CD 3.32Å; E396-K399 WeakPolarHBondContact OE2-CD 3.33Å; E396-K399 IonicContact OE2-NZ 2.96Å |
| 397 | A | 89.8 | Confident | 83.2 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -77.7 | -20.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P352 V355 V394 M395 | P352-A397 HydrophobicContact CB-CB 3.97Å; P352-A397 HydrophobicContact CG-CB 4.31Å; V355-A397 VanDerWaalsContact CG1-O 3.26Å; V355-A397 WeakPolarHBondContact CG1-O 3.33Å; V394-A397 WeakPolarHBondContact O-CB 3.32Å; V394-A397 PolarHBondContact O-N 3.1Å; M395-A397 PolarHBondContact O-N 2.75Å |
| 398 | I | 91.9 | Very high | 83.5 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -112.5 | 0.9 | -179.6 | 67.2 | 169.6 | 0 | 0 | 0 | 114.2 | V355 V377 V394 M395 D400 L401 | V355-I398 HydrophobicContact CG2-CG2 3.98Å; V377-I398 HydrophobicContact CB-CD1 4.12Å; V377-I398 HydrophobicContact CG1-CD1 3.67Å; V394-I398 PolarHBondContact O-N 2.8Å; M395-I398 PolarHBondContact O-N 2.63Å; M395-I398 VanDerWaalsContact O-N 3.08Å; M395-I398 HydrophobicContact SD-CD1 4.35Å; I398-D400 PolarHBondContact O-N 3.47Å; I398-L401 HydrophobicContact CB-CD1 4.01Å; I398-L401 HydrophobicContact CG2-CD1 4.07Å; I398-L401 VanDerWaalsContact O-CB 3.29Å; I398-L401 WeakPolarHBondContact O-CB 3.25Å; I398-L401 PolarHBondContact O-N 2.88Å |
| 399 | K | 88.5 | Confident | 84.1 | Confident | 113 Ų | 113 | 69.9 Ų | 69.9 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -29.7 | -173.9 | 72.9 | -170.3 | 179.3 | -178.7 | 0 | 115.4 | M395 E396 L401 | M395-K399 PolarHBondContact O-N 3.3Å; E396-K399 WeakPolarHBondContact O-CD 3.46Å; E396-K399 IonicContact OE1-NZ 3.7Å; E396-K399 PolarHBondContact OE1-NZ 3.19Å; E396-K399 VanDerWaalsContact OE2-CD 3.32Å; E396-K399 WeakPolarHBondContact OE2-CD 3.33Å; E396-K399 IonicContact OE2-NZ 2.96Å; K399-L401 VanDerWaalsContact C-N 3.32Å |
| 400 | D | 86.1 | Confident | 84.2 | Confident | 138 Ų | 138 | 69.5 Ų | 69.5 | 74% | 0.738 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.9 | -178.2 | -54.5 | -61.5 | 0 | 0 | 0 | 112.4 | I398 | I398-D400 PolarHBondContact O-N 3.47Š|
| 401 | L | 87.9 | Confident | 84.5 | Confident | 40 Ų | 40 | 69.4 Ų | 69.4 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -100.4 | 166.8 | 178.2 | -55.3 | 179.2 | 0 | 0 | 0 | 111.7 | L370 I398 K399 V403 | L370-L401 HydrophobicContact CB-CD1 4.08Å; L370-L401 HydrophobicContact CB-CD2 4.25Å; L370-L401 HydrophobicContact CD2-CD1 4.24Å; I398-L401 HydrophobicContact CB-CD1 4.01Å; I398-L401 HydrophobicContact CG2-CD1 4.07Å; I398-L401 VanDerWaalsContact O-CB 3.29Å; I398-L401 WeakPolarHBondContact O-CB 3.25Å; I398-L401 PolarHBondContact O-N 2.88Å; K399-L401 VanDerWaalsContact C-N 3.32Å; L401-V403 PolarHBondContact O-N 3.3Å |
| 402 | H | 83.6 | Confident | 84 | Confident | 131 Ų | 131 | 69.7 Ų | 69.7 | 61% | 0.606 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 128.9 | 177.5 | 178.2 | 69.2 | 0 | 0 | 0 | 112.2 | S374 | S374-H402 PolarHBondContact OG-O 3.12Š|
| 403 | V | 83.8 | Confident | 83.8 | Confident | 84 Ų | 84 | 65.1 Ų | 65.1 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -97 | 117.2 | 172.6 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | L401 | L401-V403 PolarHBondContact O-N 3.3Š|
| 404 | P | 84.1 | Confident | 82.9 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 147.8 | 178.1 | 30.2 | -36 | 0 | 0 | 0 | 111.7 | E375 H378 R408 I409 | E375-P404 HydrophobicContact CG-CB 4.3Å; E375-P404 HydrophobicContact CG-CG 4.33Å; H378-P404 HydrophobicContact CB-CG 3.8Å; P404-R408 HydrophobicContact CB-CB 4.45Å; P404-R408 HydrophobicContact CB-CG 4.14Å; P404-I409 HydrophobicContact CB-CG1 4.23Å; P404-I409 HydrophobicContact CG-CD1 4.1Å; P404-I409 HydrophobicContact CG-CG1 3.85Å |
| 405 | N | 81.1 | Confident | 81.7 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 162.5 | 175.8 | 76.4 | 2.8 | 0 | 0 | 0 | 112.2 | D407 R408 I409 | N405-D407 VanDerWaalsContact C-N 3.26Å; N405-D407 PolarHBondContact O-N 2.99Å; N405-R408 PolarHBondContact O-N 2.7Å; N405-R408 WeakPolarHBondContact OD1-CB 3.47Å; N405-R408 PolarHBondContact OD1-N 3.33Å; N405-I409 WeakPolarHBondContact O-CG1 3.48Å; N405-I409 PolarHBondContact O-N 3Å; N405-I409 VanDerWaalsContact O-N 3.08Å |
| 406 | E | 75.8 | Confident | 79.9 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 23% | 0.234 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.8 | -31.8 | -170.5 | -153.4 | -178.9 | 91.2 | 0 | 0 | 112.8 | F382 I409 K410 K913 | F382-E406 HydrophobicContact CD2-CG 4.48Å; F382-E406 HydrophobicContact CE2-CG 3.57Å; F382-E406 HydrophobicContact CZ-CG 3.83Å; E406-I409 PolarHBondContact O-N 3Å; E406-K410 VanDerWaalsContact O-CG 3.28Å; E406-K410 WeakPolarHBondContact O-CG 3.2Å; E406-K410 PolarHBondContact O-N 3.42Å; E406-K410 WeakPolarHBondContact OE1-CE 3.44Å; E406-K410 IonicContact OE1-NZ 2.67Å; E406-K410 PolarHBondContact OE1-NZ 2.97Å; E406-K913 IonicContact OE2-NZ 3.68Å; E406-K913 PolarHBondContact OE2-NZ 3.31Å |
| 407 | D | 75.9 | Confident | 78.3 | Confident | 101 Ų | 101 | 65.4 Ų | 65.4 | 54% | 0.54 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -78.7 | -30.5 | -178.5 | -50.5 | -49.4 | 0 | 0 | 0 | 112.1 | N405 K410 Q411 | N405-D407 VanDerWaalsContact C-N 3.26Å; N405-D407 PolarHBondContact O-N 2.99Å; D407-K410 PolarHBondContact O-N 3.26Å; D407-K410 IonicContact OD1-NZ 3.39Å; D407-K410 PolarHBondContact OD1-NZ 3.37Å; D407-Q411 VanDerWaalsContact O-CB 3.28Å; D407-Q411 WeakPolarHBondContact O-CB 3.46Å; D407-Q411 PolarHBondContact O-N 2.97Å |
| 408 | R | 80.2 | Confident | 76.5 | Confident | 93 Ų | 93 | 65.3 Ų | 65.3 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 165.8 | 178.1 | 56.2 | 172.1 | -166.9 | -7 | 111.6 | E375 P404 N405 Q411 L412 | E375-R408 IonicContact OE1-CZ 3.93Å; E375-R408 VanDerWaalsContact OE1-CZ 3.31Å; E375-R408 IonicContact OE1-NE 3.69Å; E375-R408 PolarHBondContact OE1-NE 2.71Å; E375-R408 IonicContact OE1-NH2 2.9Å; E375-R408 PolarHBondContact OE1-NH2 3.42Å; P404-R408 HydrophobicContact CB-CB 4.45Å; P404-R408 HydrophobicContact CB-CG 4.14Å; N405-R408 PolarHBondContact O-N 2.7Å; N405-R408 WeakPolarHBondContact OD1-CB 3.47Å; N405-R408 PolarHBondContact OD1-N 3.33Å; R408-Q411 PolarHBondContact O-N 3.02Å; R408-L412 HydrophobicContact CG-CD1 4.05Å; R408-L412 VanDerWaalsContact O-CG 3.3Å; R408-L412 WeakPolarHBondContact O-CG 3.04Å; R408-L412 PolarHBondContact O-N 2.84Å |
| 409 | I | 80.3 | Confident | 74.4 | Confident | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.062 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 175.2 | -65.5 | 167.3 | 0 | 0 | 0 | 110.5 | C379 F382 P404 N405 E406 Q411 L412 L413 | C379-I409 HydrophobicContact CB-CG2 4.44Å; F382-I409 HydrophobicContact CB-CG2 3.85Å; F382-I409 HydrophobicContact CD1-CG2 3.42Å; F382-I409 VanDerWaalsContact CD1-CG2 3.42Å; F382-I409 HydrophobicContact CD2-CG2 4.41Å; F382-I409 HydrophobicContact CE1-CG2 4.03Å; F382-I409 HydrophobicContact CG-CG2 3.65Å; P404-I409 HydrophobicContact CB-CG1 4.23Å; P404-I409 HydrophobicContact CG-CD1 4.1Å; P404-I409 HydrophobicContact CG-CG1 3.85Å; N405-I409 WeakPolarHBondContact O-CG1 3.48Å; N405-I409 PolarHBondContact O-N 3Å; N405-I409 VanDerWaalsContact O-N 3.08Å; E406-I409 PolarHBondContact O-N 3Å; I409-Q411 VanDerWaalsContact C-N 3.34Å; I409-Q411 PolarHBondContact O-N 3.13Å; I409-L412 PolarHBondContact O-N 2.92Å; I409-L413 HydrophobicContact CG2-CD1 3.76Å; I409-L413 HydrophobicContact CG2-CG 4.41Å; I409-L413 WeakPolarHBondContact O-CB 3.28Å; I409-L413 WeakPolarHBondContact O-CG 3.14Å; I409-L413 PolarHBondContact O-N 3.49Å |
| 410 | K | 76.4 | Confident | 72 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 175.6 | -69.9 | 164.7 | -166 | 151.7 | 0 | 112 | E406 D407 L413 G414 | E406-K410 VanDerWaalsContact O-CG 3.28Å; E406-K410 WeakPolarHBondContact O-CG 3.2Å; E406-K410 PolarHBondContact O-N 3.42Å; E406-K410 WeakPolarHBondContact OE1-CE 3.44Å; E406-K410 IonicContact OE1-NZ 2.67Å; E406-K410 PolarHBondContact OE1-NZ 2.97Å; D407-K410 PolarHBondContact O-N 3.26Å; D407-K410 IonicContact OD1-NZ 3.39Å; D407-K410 PolarHBondContact OD1-NZ 3.37Å; K410-L413 PolarHBondContact O-N 3.12Å; K410-G414 PolarHBondContact O-N 3.39Å |
| 411 | Q | 81.3 | Confident | 70 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 42% | 0.416 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 176.5 | 178.7 | -176 | 68.6 | 0 | 0 | 111.6 | D407 R408 I409 G414 Q415 | D407-Q411 VanDerWaalsContact O-CB 3.28Å; D407-Q411 WeakPolarHBondContact O-CB 3.46Å; D407-Q411 PolarHBondContact O-N 2.97Å; R408-Q411 PolarHBondContact O-N 3.02Å; I409-Q411 VanDerWaalsContact C-N 3.34Å; I409-Q411 PolarHBondContact O-N 3.13Å; Q411-G414 PolarHBondContact O-N 3.01Å; Q411-G414 VanDerWaalsContact O-N 3.15Å; Q411-Q415 HydrophobicContact CG-CG 4.49Å; Q411-Q415 WeakPolarHBondContact O-CG 3.27Å; Q411-Q415 PolarHBondContact O-N 2.99Å |
| 412 | L | 77.9 | Confident | 67.5 | Low | 10 Ų | 10 | 74 Ų | 74 | 5% | 0.052 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | -178.8 | -69.7 | 166.1 | 0 | 0 | 0 | 112.6 | L335 E375 R408 I409 G414 | L335-L412 HydrophobicContact CD1-CB 4.42Å; L335-L412 HydrophobicContact CD2-CB 4.32Å; E375-L412 VanDerWaalsContact CD-CD1 3.43Å; E375-L412 HydrophobicContact CG-CD1 3.66Å; E375-L412 WeakPolarHBondContact OE1-CD1 3.37Å; R408-L412 HydrophobicContact CG-CD1 4.05Å; R408-L412 VanDerWaalsContact O-CG 3.3Å; R408-L412 WeakPolarHBondContact O-CG 3.04Å; R408-L412 PolarHBondContact O-N 2.84Å; I409-L412 PolarHBondContact O-N 2.92Å; L412-G414 VanDerWaalsContact C-N 3.31Å |
| 413 | L | 78.1 | Confident | 65.3 | Low | 18 Ų | 18 | 72.7 Ų | 72.7 | 9% | 0.094 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.3 | -26.3 | 173.7 | -66.1 | 172.2 | 0 | 0 | 0 | 112.1 | L335 Q338 C379 M380 F382 R383 I409 K410 | L335-L413 HydrophobicContact CD2-CD2 4.12Å; Q338-L413 HydrophobicContact CG-CD2 4.29Å; Q338-L413 PolarHBondContact NE2-O 3.28Å; C379-L413 HydrophobicContact CB-CD2 4.38Å; M380-L413 HydrophobicContact CE-CD2 3.96Å; F382-L413 HydrophobicContact CD1-CD1 3.85Å; F382-L413 HydrophobicContact CE1-CD1 4.4Å; R383-L413 HydrophobicContact CB-CD1 3.99Å; R383-L413 HydrophobicContact CB-CD2 3.99Å; R383-L413 HydrophobicContact CG-CD2 4.28Å; I409-L413 HydrophobicContact CG2-CD1 3.76Å; I409-L413 HydrophobicContact CG2-CG 4.41Å; I409-L413 WeakPolarHBondContact O-CB 3.28Å; I409-L413 WeakPolarHBondContact O-CG 3.14Å; I409-L413 PolarHBondContact O-N 3.49Å; K410-L413 PolarHBondContact O-N 3.12Å |
| 414 | G | 69.2 | Low | 63.1 | Low | 61 Ų | 61 | 74.7 Ų | 74.7 | 63% | 0.629 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -75.7 | -34.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K410 Q411 L412 | K410-G414 PolarHBondContact O-N 3.39Å; Q411-G414 PolarHBondContact O-N 3.01Å; Q411-G414 VanDerWaalsContact O-N 3.15Å; L412-G414 VanDerWaalsContact C-N 3.31Å |
| 415 | Q | 64.4 | Low | 61 | Low | 124 Ų | 124 | 76.2 Ų | 76.2 | 58% | 0.579 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -77.1 | -32.1 | -167.3 | -80.4 | 175 | -10 | 0 | 0 | 115.9 | Q411 | Q411-Q415 HydrophobicContact CG-CG 4.49Å; Q411-Q415 WeakPolarHBondContact O-CG 3.27Å; Q411-Q415 PolarHBondContact O-N 2.99Å |
| 416 | D | 51.8 | Low | 59 | Low | 43 Ų | 43 | 74.4 Ų | 74.4 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -122.5 | 5.8 | -171 | -87 | -57.7 | 0 | 0 | 0 | 114.8 | K291 Y332 L335 T336 W418 | K291-D416 IonicContact NZ-OD1 2.75Å; K291-D416 PolarHBondContact NZ-OD1 3.39Å; Y332-D416 HydrophobicContact CE2-CB 4.46Å; Y332-D416 WeakPolarHBondContact CE2-OD1 3.43Å; L335-D416 HydrophobicContact CB-CB 4.14Å; T336-D416 HydrophobicContact CG2-CB 4.25Å; T336-D416 WeakPolarHBondContact CG2-O 3.43Å; D416-W418 PolarHBondContact O-N 3.5Å |
| 417 | A | 56.6 | Low | 57.1 | Low | 29 Ų | 29 | 74.6 Ų | 74.6 | 24% | 0.24 | 42% | 0.42 | C | S | . | . | trans | -63.1 | 132.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | T419 | A417-T419 PolarHBondContact O-N 3.23Š| ||
| 418 | W | 52.3 | Low | 55.2 | Low | 30 Ų | 30 | 76 Ų | 76 | 11% | 0.114 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -61.4 | -9.2 | 170.8 | -67.4 | -24.5 | 0 | 0 | 0 | 113.9 | A294 F299 L302 I303 T336 F337 H339 D416 | A294-W418 HydrophobicContact CB-CG 4.42Å; F299-W418 HydrophobicContact CD1-CD2 4.44Å; F299-W418 HydrophobicContact CD1-CE3 4.26Å; F299-W418 HydrophobicContact CE1-CB 4.01Å; F299-W418 HydrophobicContact CE1-CG 4.31Å; L302-W418 HydrophobicContact CB-CH2 3.48Å; L302-W418 VanDerWaalsContact CB-CH2 3.48Å; L302-W418 HydrophobicContact CB-CZ2 3.72Å; L302-W418 HydrophobicContact CB-CZ3 3.92Å; L302-W418 HydrophobicContact CD1-CD2 4.27Å; L302-W418 HydrophobicContact CD1-CH2 4.44Å; L302-W418 HydrophobicContact CD1-CZ2 4.01Å; L302-W418 HydrophobicContact CD2-CZ2 4.2Å; L302-W418 HydrophobicContact CG-CH2 4.44Å; L302-W418 HydrophobicContact CG-CZ2 4.22Å; I303-W418 HydrophobicContact CG1-CZ3 4.26Å; T336-W418 VanDerWaalsContact CB-CE2 3.46Å; T336-W418 VanDerWaalsContact CB-NE1 3.33Å; T336-W418 WeakPolarHBondContact OG1-CZ2 3.42Å; F337-W418 HydrophobicContact CD2-CH2 4.02Å; F337-W418 HydrophobicContact CD2-CZ3 4.05Å; H339-W418 AromaticContact CE1-CE3 3.93Å; H339-W418 AromaticContact CE1-CZ3 3.55Å; D416-W418 PolarHBondContact O-N 3.5Å |
| 419 | T | 46.5 | Very low | 53.3 | Low | 36 Ų | 36 | 74.9 Ų | 74.9 | 22% | 0.221 | 42% | 0.417 | C | S | . | . | trans | -116.8 | 45.8 | -161.9 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | A417 Q421 L425 | A417-T419 PolarHBondContact O-N 3.23Å; T419-Q421 PolarHBondContact O-N 2.71Å; T419-L425 HydrophobicContact CG2-CD1 3.88Å | ||
| 420 | S | 39.4 | Very low | 51.4 | Low | 122 Ų | 122 | 76.1 Ų | 76.1 | 85% | 0.853 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -60.5 | -19.9 | 158.9 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | ||
| 421 | Q | 42.3 | Very low | 49.8 | Very low | 119 Ų | 119 | 76.6 Ų | 76.6 | 56% | 0.556 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -99.4 | 83.2 | 167.8 | -65.1 | -170.2 | -22.3 | 0 | 0 | 109.8 | T419 S423 | T419-Q421 PolarHBondContact O-N 2.71Å; Q421-S423 PolarHBondContact O-N 3.02Å |
| 422 | K | 37.2 | Very low | 47.8 | Very low | 197 Ų | 197 | 76.9 Ų | 76.9 | 86% | 0.857 | 43% | 0.43 | S | S | * | . | trans | -75 | 10.6 | -163.5 | -134 | 174.7 | -172 | 175.8 | 0 | 116.4 | ||||
| 423 | S | 35.9 | Very low | 46.5 | Very low | 103 Ų | 103 | 78.2 Ų | 78.2 | 72% | 0.72 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -122.5 | -34.7 | -163.1 | -160.5 | 0 | 0 | 0 | 0 | 115.8 | Q421 | Q421-S423 PolarHBondContact O-N 3.02Š|
| 424 | E | 37.7 | Very low | 45.5 | Very low | 127 Ų | 127 | 81.2 Ų | 81.2 | 59% | 0.593 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -79.3 | -28 | -165.8 | -63.1 | 179.3 | 162.5 | 0 | 0 | 114.8 | K297 A426 | K297-E424 IonicContact NZ-OE1 2.84Å; K297-E424 IonicContact NZ-OE2 2.74Å; K297-E424 PolarHBondContact NZ-OE2 3.07Å; E424-A426 VanDerWaalsContact C-N 3.34Å; E424-A426 PolarHBondContact O-N 2.77Å |
| 425 | L | 40.1 | Very low | 45.7 | Very low | 40 Ų | 40 | 81.3 Ų | 81.3 | 21% | 0.209 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -73.5 | -19.6 | -172.9 | -87 | 157.5 | 0 | 0 | 0 | 114.5 | T419 G427 F428 | T419-L425 HydrophobicContact CG2-CD1 3.88Å; L425-G427 PolarHBondContact O-N 3.2Å; L425-G427 VanDerWaalsContact O-N 3.17Å; L425-F428 PolarHBondContact O-N 3.48Å; L425-F428 VanDerWaalsContact O-N 3.08Å |
| 426 | A | 39.8 | Very low | 46.4 | Very low | 63 Ų | 63 | 76.9 Ų | 76.9 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -58.7 | -31.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E424 F428 Y429 | E424-A426 VanDerWaalsContact C-N 3.34Å; E424-A426 PolarHBondContact O-N 2.77Å; A426-F428 VanDerWaalsContact C-N 3.31Å; A426-F428 PolarHBondContact O-N 2.84Å; A426-Y429 PolarHBondContact O-N 3.46Å |
| 427 | G | 35.6 | Very low | 47.6 | Very low | 55 Ų | 55 | 82.4 Ų | 82.4 | 57% | 0.567 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -72.1 | -15.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L425 | L425-G427 PolarHBondContact O-N 3.2Å; L425-G427 VanDerWaalsContact O-N 3.17Å |
| 428 | F | 36.2 | Very low | 48.8 | Very low | 130 Ų | 130 | 81.7 Ų | 81.7 | 57% | 0.57 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -22.7 | 176.9 | -82.5 | -93.6 | 0 | 0 | 0 | 113.2 | L425 A426 R431 | L425-F428 PolarHBondContact O-N 3.48Å; L425-F428 VanDerWaalsContact O-N 3.08Å; A426-F428 VanDerWaalsContact C-N 3.31Å; A426-F428 PolarHBondContact O-N 2.84Å; F428-R431 PolarHBondContact O-N 3.42Å |
| 429 | Y | 39.9 | Very low | 50.3 | Low | 69 Ų | 69 | 82.7 Ų | 82.7 | 27% | 0.271 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.2 | -41 | -174.3 | -105.4 | -87.3 | 0 | 0 | 0 | 116.5 | H339 S340 A426 R431 | H339-Y429 HydrophobicContact CB-CE2 4.17Å; H339-Y429 VanDerWaalsContact CB-OH 3.27Å; H339-Y429 WeakPolarHBondContact CB-OH 3.5Å; H339-Y429 AromaticContact CD2-CZ 3.95Å; H339-Y429 PolarHBondContact CD2-OH 2.78Å; H339-Y429 PolarHBondContact O-OH 3.25Å; S340-Y429 WeakPolarHBondContact CB-OH 3.41Å; S340-Y429 PolarHBondContact N-OH 2.84Å; S340-Y429 VanDerWaalsContact N-OH 3.13Å; A426-Y429 PolarHBondContact O-N 3.46Å; Y429-R431 PolarHBondContact O-N 2.81Å |
| 430 | P | 40.9 | Very low | 52.4 | Low | 38 Ų | 38 | 82.3 Ų | 82.3 | 25% | 0.247 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66.3 | -8.1 | -177.9 | -24.6 | 35.9 | 0 | 0 | 0 | 115.6 | I444 | P430-I444 HydrophobicContact CG-CD1 3.98Å |
| 431 | R | 42.4 | Very low | 54.9 | Low | 105 Ų | 105 | 76.7 Ų | 76.7 | 40% | 0.396 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -88.4 | -40.5 | -174 | -67.1 | -175.5 | 170 | 133.1 | 1 | 114 | F428 Y429 E962 | F428-R431 PolarHBondContact O-N 3.42Å; Y429-R431 PolarHBondContact O-N 2.81Å; R431-E962 IonicContact CZ-OE1 3.55Å; R431-E962 VanDerWaalsContact CZ-OE1 3.31Å; R431-E962 IonicContact NE-OE1 3.02Å; R431-E962 PolarHBondContact NE-OE1 3.45Å; R431-E962 IonicContact NH2-OE1 3.73Å; R431-E962 PolarHBondContact NH2-OE1 3.15Å |
| 432 | L | 39.8 | Very low | 57.3 | Low | 96 Ų | 96 | 71 Ų | 71 | 50% | 0.503 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -84 | -21.3 | -176.7 | -83.1 | 80.1 | 0 | 0 | 0 | 114.1 | ||
| 433 | M | 50.6 | Low | 60 | Low | 37 Ų | 37 | 61.7 Ų | 61.7 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 133.9 | -176.2 | -64.5 | -152 | 72.4 | 0 | 0 | 111.9 | P497 R895 | M433-P497 HydrophobicContact CB-CB 4.3Å; M433-P497 HydrophobicContact CB-CG 4.08Å; M433-P497 WeakPolarHBondContact O-CG 3.39Å; M433-R895 HydrophobicContact CE-CG 4.4Å |
| 434 | A | 57.8 | Low | 62.5 | Low | 82 Ų | 82 | 58.4 Ų | 58.4 | 68% | 0.678 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -72 | 152.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | P497 | A434-P497 WeakPolarHBondContact O-CB 3.28Š|
| 435 | K | 72.5 | Confident | 64.7 | Low | 63 Ų | 63 | 54.7 Ų | 54.7 | 27% | 0.274 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -67 | 141.9 | 171.1 | -165.3 | -177.9 | -166.9 | -175 | 0 | 109.3 | S494 | K435-S494 WeakPolarHBondContact CE-O 3.35Å; K435-S494 PolarHBondContact NZ-O 3.06Å |
| 436 | S | 78.3 | Confident | 66.5 | Low | 30 Ų | 30 | 56.1 Ų | 56.1 | 21% | 0.21 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -66 | 134.4 | 179.8 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | T438 G439 V896 | S436-T438 WeakPolarHBondContact CB-OG1 3.28Å; S436-T438 PolarHBondContact O-N 3.36Å; S436-T438 WeakPolarHBondContact OG-CB 3.48Å; S436-T438 WeakPolarHBondContact OG-CG2 3.3Å; S436-T438 PolarHBondContact OG-N 2.94Å; S436-T438 PolarHBondContact OG-OG1 3.5Å; S436-G439 PolarHBondContact O-N 2.82Å; S436-V896 WeakPolarHBondContact CB-O 3.26Å; S436-V896 PolarHBondContact OG-O 2.93Å |
| 437 | D | 78.4 | Confident | 68.1 | Low | 159 Ų | 159 | 54.9 Ų | 54.9 | 85% | 0.85 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.5 | 172.7 | -58.5 | -57.3 | 0 | 0 | 0 | 113.3 | G439 | D437-G439 PolarHBondContact O-N 3.43Š|
| 438 | T | 82.1 | Confident | 70.5 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 9% | 0.086 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.9 | 169.8 | 64 | 0 | 0 | 0 | 0 | 113.7 | S436 K440 Y889 V896 F898 | S436-T438 WeakPolarHBondContact CB-OG1 3.28Å; S436-T438 PolarHBondContact O-N 3.36Å; S436-T438 WeakPolarHBondContact OG-CB 3.48Å; S436-T438 WeakPolarHBondContact OG-CG2 3.3Å; S436-T438 PolarHBondContact OG-N 2.94Å; S436-T438 PolarHBondContact OG-OG1 3.5Å; T438-K440 PolarHBondContact O-N 3.47Å; T438-K440 PolarHBondContact OG1-N 3.31Å; T438-Y889 HydrophobicContact CG2-CD1 3.8Å; T438-Y889 HydrophobicContact CG2-CE1 4.13Å; T438-V896 HydrophobicContact CG2-CG1 4.43Å; T438-F898 HydrophobicContact CG2-CD1 4.03Å; T438-F898 HydrophobicContact CG2-CD2 3.93Å; T438-F898 HydrophobicContact CG2-CE1 4.1Å; T438-F898 HydrophobicContact CG2-CE2 3.99Å; T438-F898 HydrophobicContact CG2-CG 3.96Å; T438-F898 HydrophobicContact CG2-CZ 4.09Å |
| 439 | G | 83.3 | Confident | 73.1 | Confident | 51 Ų | 51 | 49.2 Ų | 49.2 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | trans | 72.9 | -7.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S436 D437 | S436-G439 PolarHBondContact O-N 2.82Å; D437-G439 PolarHBondContact O-N 3.43Å | ||
| 440 | K | 90 | Very high | 75.5 | Confident | 29 Ų | 29 | 46.1 Ų | 46.1 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | trans | -86.3 | 153.7 | 179.5 | -57.9 | -70 | -173.4 | 170.4 | 0 | 110.7 | T438 M461 E867 Y889 F891 V896 | T438-K440 PolarHBondContact O-N 3.47Å; T438-K440 PolarHBondContact OG1-N 3.31Å; K440-M461 HydrophobicContact CD-SD 4.36Å; K440-M461 PolarHBondContact NZ-SD 3.2Å; K440-M461 VanDerWaalsContact NZ-SD 3.42Å; K440-E867 IonicContact NZ-OE2 2.72Å; K440-E867 PolarHBondContact NZ-OE2 2.68Å; K440-Y889 HydrophobicContact CG-CD1 4.15Å; K440-Y889 HydrophobicContact CG-CE1 4.09Å; K440-F891 HydrophobicContact CB-CE1 4.08Å; K440-F891 HydrophobicContact CB-CZ 4.41Å; K440-F891 HydrophobicContact CG-CE1 4.49Å; K440-F891 HydrophobicContact CG-CZ 4.33Å; K440-V896 HydrophobicContact CB-CB 4.13Å; K440-V896 HydrophobicContact CB-CG1 3.87Å; K440-V896 HydrophobicContact CB-CG2 4.09Å; K440-V896 HydrophobicContact CG-CG1 4.47Å | ||
| 441 | I | 92.6 | Very high | 78.1 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | trans | -107.3 | 134.8 | -172.5 | -46.6 | -60.6 | 0 | 0 | 0 | 110.4 | Q457 L491 S494 I499 | I441-Q457 PolarHBondContact O-NE2 3.41Å; I441-L491 HydrophobicContact CB-CD2 3.93Å; I441-L491 WeakPolarHBondContact CG1-O 3.33Å; I441-L491 HydrophobicContact CG2-CD2 4.2Å; I441-S494 WeakPolarHBondContact CD1-O 3.47Å; I441-I499 HydrophobicContact CG2-CG1 4.38Å; I441-I499 HydrophobicContact CG2-CG2 4.04Å | ||
| 442 | G | 92.5 | Very high | 80.6 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 168.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P497 A498 I499 D893 | G442-P497 PolarHBondContact N-O 3.44Å; G442-A498 CarbonylContact O-C 3.56Å; G442-A498 WeakPolarHBondContact O-CA 3.03Å; G442-A498 WeakPolarHBondContact O-CB 3.43Å; G442-I499 PolarHBondContact O-N 3.38Å; G442-D893 CarbonylContact C-O 3.45Å; G442-D893 VanDerWaalsContact CA-O 3.29Å; G442-D893 WeakPolarHBondContact CA-O 3.19Å |
| 443 | L | 93.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.6 | 171.6 | -70 | 178.1 | 0 | 0 | 0 | 110.4 | N445 N453 L456 Q457 L487 L491 I499 P501 D893 T894 | L443-N445 PolarHBondContact O-N 2.84Å; L443-N453 HydrophobicContact CB-CB 4.03Å; L443-N453 HydrophobicContact CD1-CB 4.18Å; L443-N453 PolarHBondContact O-ND2 3.06Å; L443-L456 HydrophobicContact CD1-CB 3.79Å; L443-L456 HydrophobicContact CD1-CD1 4.07Å; L443-Q457 HydrophobicContact CD1-CG 4.22Å; L443-L487 HydrophobicContact CD2-CD1 4.2Å; L443-L491 HydrophobicContact CD2-CD2 3.86Å; L443-L491 HydrophobicContact CG-CD2 4.32Å; L443-I499 WeakPolarHBondContact CA-O 3.24Å; L443-I499 HydrophobicContact CD2-CD1 4.23Å; L443-I499 HydrophobicContact CD2-CG1 3.74Å; L443-P501 HydrophobicContact CD2-CB 4.25Å; L443-D893 PolarHBondContact N-O 3.18Å; L443-D893 CarbonylContact O-C 3.6Å; L443-D893 VanDerWaalsContact O-CA 3.26Å; L443-D893 WeakPolarHBondContact O-CA 3.41Å; L443-T894 PolarHBondContact O-N 3.43Å; L443-T894 VanDerWaalsContact O-N 3.13Å |
| 444 | I | 87.8 | Confident | 85.6 | Confident | 34 Ų | 34 | 33.5 Ų | 33.5 | 17% | 0.174 | 21% | 0.209 | C | C | . | . | trans | -67 | 133.5 | 177.9 | -60.8 | 171 | 0 | 0 | 0 | 109.4 | P430 L446 N453 A498 I499 P501 T894 | P430-I444 HydrophobicContact CG-CD1 3.98Å; I444-L446 HydrophobicContact CB-CD2 4.44Å; I444-L446 HydrophobicContact CG2-CD2 3.93Å; I444-N453 PolarHBondContact O-ND2 3.02Å; I444-A498 HydrophobicContact CG1-CB 4.12Å; I444-I499 PolarHBondContact N-O 2.98Å; I444-P501 WeakPolarHBondContact O-CD 3.33Å; I444-T894 HydrophobicContact CB-CG2 4.33Å; I444-T894 HydrophobicContact CG1-CG2 3.97Å | ||
| 445 | N | 84.1 | Confident | 87.5 | Confident | 49 Ų | 49 | 29.6 Ų | 29.6 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | trans | -80.2 | 119.4 | 170.2 | -167.7 | -39.6 | 0 | 0 | 0 | 108.9 | L443 G447 N448 T449 D893 | L443-N445 PolarHBondContact O-N 2.84Å; N445-G447 VanDerWaalsContact C-N 3.3Å; N445-G447 PolarHBondContact O-N 3.08Å; N445-G447 PolarHBondContact OD1-N 2.97Å; N445-G447 VanDerWaalsContact OD1-N 3.08Å; N445-N448 PolarHBondContact OD1-N 2.88Å; N445-N448 VanDerWaalsContact OD1-N 3.07Å; N445-T449 WeakPolarHBondContact CA-OG1 3.46Å; N445-T449 PolarHBondContact OD1-N 3.09Å; N445-D893 HydrophobicContact CB-CB 4.21Å; N445-D893 WeakPolarHBondContact CB-OD2 3.47Å; N445-D893 PolarHBondContact ND2-OD2 3.1Å | ||
| 446 | L | 79.2 | Confident | 88.7 | Confident | 70 Ų | 70 | 26.6 Ų | 26.6 | 37% | 0.366 | 16% | 0.164 | S | C | . | . | trans | -96.4 | 19.9 | -173.8 | -56.5 | 171.1 | 0 | 0 | 0 | 112.4 | I444 T449 P501 E502 L505 | I444-L446 HydrophobicContact CB-CD2 4.44Å; I444-L446 HydrophobicContact CG2-CD2 3.93Å; L446-T449 HydrophobicContact CB-CG2 3.93Å; L446-T449 PolarHBondContact N-OG1 3.26Å; L446-P501 HydrophobicContact CD1-CG 4.05Å; L446-E502 HydrophobicContact CD1-CB 3.64Å; L446-E502 HydrophobicContact CD1-CG 4.37Å; L446-L505 HydrophobicContact CD1-CD2 3.9Å | ||
| 447 | G | 73.4 | Confident | 89.6 | Confident | 37 Ų | 37 | 25.3 Ų | 25.3 | 38% | 0.381 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 104.4 | 96.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | N445 T449 | N445-G447 VanDerWaalsContact C-N 3.3Å; N445-G447 PolarHBondContact O-N 3.08Å; N445-G447 PolarHBondContact OD1-N 2.97Å; N445-G447 VanDerWaalsContact OD1-N 3.08Å; G447-T449 WeakPolarHBondContact O-CG2 3.21Å; G447-T449 PolarHBondContact O-N 3.22Å |
| 448 | N | 85.3 | Confident | 90.5 | Very high | 60 Ų | 60 | 17.8 Ų | 17.8 | 32% | 0.321 | 12% | 0.115 | S | C | . | . | S | Bend | trans | 59.9 | 20.6 | -178.3 | -72.6 | -38 | 0 | 0 | 0 | 115.4 | N445 C450 Y451 G516 Q518 | N445-N448 PolarHBondContact OD1-N 2.88Å; N445-N448 VanDerWaalsContact OD1-N 3.07Å; N448-C450 PolarHBondContact O-N 3.18Å; N448-Y451 WeakPolarHBondContact O-CD1 3.35Å; N448-Y451 WeakPolarHBondContact O-CE1 3.39Å; N448-G516 PolarHBondContact ND2-O 2.74Å; N448-Q518 HydrophobicContact CB-CG 3.79Å; N448-Q518 VanDerWaalsContact CG-CG 3.41Å; N448-Q518 WeakPolarHBondContact OD1-CG 3.45Å; N448-Q518 PolarHBondContact OD1-NE2 2.94Å |
| 449 | T | 89.9 | Confident | 91.3 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 11.8 | -174.5 | 70.7 | 0 | 0 | 0 | 0 | 115.1 | N445 L446 G447 Y451 V452 N453 L505 | N445-T449 WeakPolarHBondContact CA-OG1 3.46Å; N445-T449 PolarHBondContact OD1-N 3.09Å; L446-T449 HydrophobicContact CB-CG2 3.93Å; L446-T449 PolarHBondContact N-OG1 3.26Å; G447-T449 WeakPolarHBondContact O-CG2 3.21Å; G447-T449 PolarHBondContact O-N 3.22Å; T449-Y451 PolarHBondContact O-N 3.07Å; T449-V452 WeakPolarHBondContact O-CB 3.42Å; T449-V452 PolarHBondContact O-N 3.05Å; T449-N453 PolarHBondContact O-N 3.11Å; T449-N453 VanDerWaalsContact O-N 3.07Å; T449-L505 HydrophobicContact CG2-CD2 3.82Å |
| 450 | C | 91.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 14.9 Ų | 14.9 | 3% | 0.027 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63 | -26.7 | -176.9 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | N448 V452 N453 S454 H860 | N448-C450 PolarHBondContact O-N 3.18Å; C450-V452 VanDerWaalsContact C-N 3.32Å; C450-V452 PolarHBondContact O-N 3.42Å; C450-N453 PolarHBondContact O-N 3.28Å; C450-S454 WeakPolarHBondContact O-CB 3.5Å; C450-S454 PolarHBondContact O-N 3.15Å; C450-S454 PolarHBondContact O-OG 2.97Å; C450-H860 VanDerWaalsContact CB-CE1 3.41Å; C450-H860 WeakPolarHBondContact CB-CE1 3.41Å; C450-H860 WeakPolarHBondContact CB-ND1 3.4Å; C450-H860 PolarHBondContact SG-ND1 2.94Å |
| 451 | Y | 94.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 13.5 Ų | 13.5 | 2% | 0.02 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.6 | -38.1 | 171.6 | 72.7 | -87.2 | 0 | 0 | 0 | 112 | N448 T449 I455 F513 Q519 Y524 | N448-Y451 WeakPolarHBondContact O-CD1 3.35Å; N448-Y451 WeakPolarHBondContact O-CE1 3.39Å; T449-Y451 PolarHBondContact O-N 3.07Å; Y451-I455 VanDerWaalsContact O-CG1 3.29Å; Y451-I455 WeakPolarHBondContact O-CG1 3.46Å; Y451-F513 HydrophobicContact CE2-CD2 4.04Å; Y451-F513 AromaticContact CE2-CE2 3.82Å; Y451-F513 HydrophobicContact CE2-CE2 3.82Å; Y451-Q519 HydrophobicContact CD1-CB 4Å; Y451-Q519 HydrophobicContact CD2-CB 4.01Å; Y451-Q519 HydrophobicContact CE1-CB 3.77Å; Y451-Q519 HydrophobicContact CE1-CG 4.09Å; Y451-Q519 HydrophobicContact CE2-CB 3.77Å; Y451-Q519 HydrophobicContact CE2-CG 4.43Å; Y451-Q519 HydrophobicContact CG-CB 4.13Å; Y451-Y524 HydrophobicContact CD2-CG 4.1Å; Y451-Y524 HydrophobicContact CE2-CD2 4.17Å; Y451-Y524 HydrophobicContact CE2-CG 4.03Å |
| 452 | V | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -72.8 | -48.1 | 173.4 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | T449 C450 S454 I455 L456 L505 Y524 | T449-V452 WeakPolarHBondContact O-CB 3.42Å; T449-V452 PolarHBondContact O-N 3.05Å; C450-V452 VanDerWaalsContact C-N 3.32Å; C450-V452 PolarHBondContact O-N 3.42Å; V452-S454 VanDerWaalsContact C-N 3.33Å; V452-S454 PolarHBondContact O-N 2.86Å; V452-I455 PolarHBondContact O-N 3.19Å; V452-L456 HydrophobicContact CG1-CD1 3.47Å; V452-L456 VanDerWaalsContact CG1-CD1 3.47Å; V452-L456 HydrophobicContact CG1-CG 4.01Å; V452-L456 WeakPolarHBondContact O-CG 3.37Å; V452-L456 PolarHBondContact O-N 3.37Å; V452-L505 HydrophobicContact CB-CD1 4.34Å; V452-L505 HydrophobicContact CG1-CD1 4.15Å; V452-L505 HydrophobicContact CG2-CD1 3.78Å; V452-Y524 HydrophobicContact CB-CD1 4.42Å; V452-Y524 HydrophobicContact CB-CE1 4.01Å; V452-Y524 HydrophobicContact CG1-CE1 3.73Å; V452-Y524 HydrophobicContact CG2-CD1 4.02Å; V452-Y524 HydrophobicContact CG2-CD2 4.09Å; V452-Y524 HydrophobicContact CG2-CE1 3.86Å; V452-Y524 HydrophobicContact CG2-CE2 3.93Å; V452-Y524 HydrophobicContact CG2-CG 4.14Å |
| 453 | N | 96.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.2 | -43.3 | -176.1 | -68.5 | -11.6 | 0 | 0 | 0 | 112 | L443 I444 T449 C450 I455 L456 Q457 D893 | L443-N453 HydrophobicContact CB-CB 4.03Å; L443-N453 HydrophobicContact CD1-CB 4.18Å; L443-N453 PolarHBondContact O-ND2 3.06Å; I444-N453 PolarHBondContact O-ND2 3.02Å; T449-N453 PolarHBondContact O-N 3.11Å; T449-N453 VanDerWaalsContact O-N 3.07Å; C450-N453 PolarHBondContact O-N 3.28Å; N453-I455 PolarHBondContact O-N 2.87Å; N453-L456 PolarHBondContact O-N 3.11Å; N453-Q457 VanDerWaalsContact O-CG 3.3Å; N453-Q457 WeakPolarHBondContact O-CG 3.46Å; N453-Q457 PolarHBondContact O-N 3.49Å; N453-D893 WeakPolarHBondContact CB-OD1 3.49Å; N453-D893 PolarHBondContact ND2-OD1 2.93Å |
| 454 | S | 97.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 178.5 | -61 | 0 | 0 | 0 | 0 | 112.9 | C450 V452 A458 Y861 Y862 | C450-S454 WeakPolarHBondContact O-CB 3.5Å; C450-S454 PolarHBondContact O-N 3.15Å; C450-S454 PolarHBondContact O-OG 2.97Å; V452-S454 VanDerWaalsContact C-N 3.33Å; V452-S454 PolarHBondContact O-N 2.86Å; S454-A458 WeakPolarHBondContact O-CB 3.37Å; S454-A458 PolarHBondContact O-N 3.5Å; S454-Y861 WeakPolarHBondContact OG-CB 3.41Å; S454-Y861 PolarHBondContact OG-O 3.05Å; S454-Y862 VanDerWaalsContact OG-CA 3.3Å; S454-Y862 WeakPolarHBondContact OG-CA 3.49Å; S454-Y862 PolarHBondContact OG-N 2.7Å |
| 455 | I | 98.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -69.4 | -41.9 | 176.7 | -69.8 | -60.5 | 0 | 0 | 0 | 111.6 | Y451 V452 N453 Q457 A458 L459 C521 Y524 L525 L528 V849 | Y451-I455 VanDerWaalsContact O-CG1 3.29Å; Y451-I455 WeakPolarHBondContact O-CG1 3.46Å; V452-I455 PolarHBondContact O-N 3.19Å; N453-I455 PolarHBondContact O-N 2.87Å; I455-Q457 PolarHBondContact O-N 3.05Å; I455-A458 PolarHBondContact O-N 2.94Å; I455-L459 HydrophobicContact CG2-CD1 3.88Å; I455-L459 HydrophobicContact CG2-CG 4.43Å; I455-L459 WeakPolarHBondContact O-CB 3.24Å; I455-L459 WeakPolarHBondContact O-CG 3.16Å; I455-L459 PolarHBondContact O-N 2.76Å; I455-C521 HydrophobicContact CD1-CB 4.26Å; I455-C521 HydrophobicContact CG1-CB 3.93Å; I455-C521 WeakPolarHBondContact CG1-O 3.45Å; I455-Y524 HydrophobicContact CB-CD1 4.13Å; I455-Y524 HydrophobicContact CB-CE1 4.34Å; I455-Y524 HydrophobicContact CG1-CD1 4.34Å; I455-Y524 HydrophobicContact CG2-CD1 4.02Å; I455-Y524 HydrophobicContact CG2-CE1 4.08Å; I455-L525 HydrophobicContact CD1-CB 3.94Å; I455-L525 HydrophobicContact CD1-CD2 4.07Å; I455-L525 HydrophobicContact CD1-CG 4.42Å; I455-L525 HydrophobicContact CG1-CB 4.34Å; I455-L525 HydrophobicContact CG2-CB 4.16Å; I455-L525 HydrophobicContact CG2-CD1 3.87Å; I455-L528 HydrophobicContact CG2-CD2 4.46Å; I455-V849 HydrophobicContact CD1-CG2 4.37Å |
| 456 | L | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64 | -40.9 | 177.9 | -70.3 | 173.7 | 0 | 0 | 0 | 111.8 | L443 V452 N453 L459 F460 L484 L487 P501 F504 L528 | L443-L456 HydrophobicContact CD1-CB 3.79Å; L443-L456 HydrophobicContact CD1-CD1 4.07Å; V452-L456 HydrophobicContact CG1-CD1 3.47Å; V452-L456 VanDerWaalsContact CG1-CD1 3.47Å; V452-L456 HydrophobicContact CG1-CG 4.01Å; V452-L456 WeakPolarHBondContact O-CG 3.37Å; V452-L456 PolarHBondContact O-N 3.37Å; N453-L456 PolarHBondContact O-N 3.11Å; L456-L459 PolarHBondContact O-N 2.94Å; L456-F460 WeakPolarHBondContact O-CB 3.23Å; L456-F460 PolarHBondContact O-N 3.49Å; L456-L484 HydrophobicContact CD2-CD1 3.9Å; L456-L487 HydrophobicContact CD1-CD2 3.78Å; L456-L487 HydrophobicContact CD2-CD2 4.42Å; L456-P501 HydrophobicContact CD1-CB 4.31Å; L456-F504 HydrophobicContact CD1-CD1 4.19Å; L456-F504 HydrophobicContact CD2-CD1 3.94Å; L456-F504 HydrophobicContact CD2-CE1 3.76Å; L456-L528 HydrophobicContact CD2-CD2 4.44Å |
| 457 | Q | 97.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 11.6 Ų | 11.6 | 2% | 0.019 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68 | -38.3 | 174.5 | -64.7 | -73.1 | 16.4 | 0 | 0 | 112.1 | I441 L443 N453 I455 F460 M461 F891 | I441-Q457 PolarHBondContact O-NE2 3.41Å; L443-Q457 HydrophobicContact CD1-CG 4.22Å; N453-Q457 VanDerWaalsContact O-CG 3.3Å; N453-Q457 WeakPolarHBondContact O-CG 3.46Å; N453-Q457 PolarHBondContact O-N 3.49Å; I455-Q457 PolarHBondContact O-N 3.05Å; Q457-F460 PolarHBondContact O-N 2.85Å; Q457-M461 WeakPolarHBondContact O-CB 3.27Å; Q457-M461 WeakPolarHBondContact O-CG 3.49Å; Q457-M461 PolarHBondContact O-N 3.13Å; Q457-F891 HydrophobicContact CB-CB 4.08Å; Q457-F891 HydrophobicContact CB-CD1 4Å; Q457-F891 HydrophobicContact CB-CD2 4.49Å; Q457-F891 HydrophobicContact CB-CG 3.96Å; Q457-F891 HydrophobicContact CG-CB 4.02Å; Q457-F891 HydrophobicContact CG-CD1 3.75Å; Q457-F891 HydrophobicContact CG-CE1 4.48Å; Q457-F891 HydrophobicContact CG-CG 4.06Å |
| 458 | A | 97.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.008 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S454 I455 A462 V849 F920 | S454-A458 WeakPolarHBondContact O-CB 3.37Å; S454-A458 PolarHBondContact O-N 3.5Å; I455-A458 PolarHBondContact O-N 2.94Å; A458-A462 PolarHBondContact O-N 3.39Å; A458-V849 HydrophobicContact CB-CG2 4.2Å; A458-F920 HydrophobicContact CB-CD2 4.18Å; A458-F920 HydrophobicContact CB-CE2 3.84Å; A458-F920 HydrophobicContact CB-CZ 4.25Å |
| 459 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -70.3 | -36 | 176.6 | -70.8 | 171.4 | 0 | 0 | 0 | 112.6 | I455 L456 A462 F465 F488 L525 L528 F570 F920 | I455-L459 HydrophobicContact CG2-CD1 3.88Å; I455-L459 HydrophobicContact CG2-CG 4.43Å; I455-L459 WeakPolarHBondContact O-CB 3.24Å; I455-L459 WeakPolarHBondContact O-CG 3.16Å; I455-L459 PolarHBondContact O-N 2.76Å; L456-L459 PolarHBondContact O-N 2.94Å; L459-A462 WeakPolarHBondContact O-CB 3.4Å; L459-A462 PolarHBondContact O-N 3.5Å; L459-F465 HydrophobicContact CB-CD1 4.13Å; L459-F465 HydrophobicContact CB-CE1 4Å; L459-F465 HydrophobicContact CD2-CD1 4.22Å; L459-F465 HydrophobicContact CD2-CE1 4.13Å; L459-F465 HydrophobicContact CG-CE1 4.45Å; L459-F488 HydrophobicContact CB-CZ 4.18Å; L459-L525 HydrophobicContact CD1-CD1 4.18Å; L459-L525 HydrophobicContact CD2-CD1 4.28Å; L459-L525 HydrophobicContact CG-CD1 4.45Å; L459-L528 HydrophobicContact CD1-CD2 3.75Å; L459-F570 HydrophobicContact CD2-CE1 4.33Å; L459-F570 HydrophobicContact CD2-CE2 4.29Å; L459-F570 HydrophobicContact CD2-CZ 3.69Å; L459-F920 HydrophobicContact CD2-CE1 3.94Å; L459-F920 HydrophobicContact CD2-CZ 4.25Å |
| 460 | F | 96.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 9.4 Ų | 9.4 | 1% | 0.013 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -65.8 | -40.5 | 175.4 | 179 | -101.8 | 0 | 0 | 0 | 111.9 | L456 Q457 A462 R466 F488 L491 E492 | L456-F460 WeakPolarHBondContact O-CB 3.23Å; L456-F460 PolarHBondContact O-N 3.49Å; Q457-F460 PolarHBondContact O-N 2.85Å; F460-A462 VanDerWaalsContact C-N 3.27Å; F460-A462 PolarHBondContact O-N 2.91Å; F460-R466 HydrophobicContact CD2-CG 4.24Å; F460-R466 HydrophobicContact CE2-CG 4.33Å; F460-R466 WeakPolarHBondContact O-CB 3.12Å; F460-R466 WeakPolarHBondContact O-CD 3.39Å; F460-R466 PolarHBondContact O-NH1 3.16Å; F460-F488 HydrophobicContact CB-CD1 4.37Å; F460-F488 HydrophobicContact CB-CE1 3.89Å; F460-F488 HydrophobicContact CB-CZ 3.98Å; F460-F488 HydrophobicContact CD2-CB 4.09Å; F460-F488 AromaticContact CD2-CD1 3.77Å; F460-F488 HydrophobicContact CD2-CD1 3.77Å; F460-F488 HydrophobicContact CD2-CD2 4.14Å; F460-F488 HydrophobicContact CD2-CE1 4.15Å; F460-F488 AromaticContact CD2-CG 3.75Å; F460-F488 HydrophobicContact CD2-CG 3.75Å; F460-F488 HydrophobicContact CE2-CB 4.26Å; F460-F488 HydrophobicContact CE2-CG 4.41Å; F460-L491 HydrophobicContact CB-CD1 4.23Å; F460-L491 HydrophobicContact CD1-CD1 4.36Å; F460-L491 HydrophobicContact CD2-CB 3.86Å; F460-L491 HydrophobicContact CD2-CD1 3.75Å; F460-L491 HydrophobicContact CD2-CG 4.48Å; F460-L491 HydrophobicContact CE1-CB 4.1Å; F460-L491 HydrophobicContact CE2-CB 3.34Å; F460-L491 HydrophobicContact CE2-CD1 4.16Å; F460-L491 HydrophobicContact CE2-CG 4.4Å; F460-L491 HydrophobicContact CG-CB 4.42Å; F460-L491 HydrophobicContact CG-CD1 3.87Å; F460-L491 HydrophobicContact CZ-CB 3.49Å; F460-L491 VanDerWaalsContact CZ-CB 3.49Å; F460-E492 WeakPolarHBondContact CE2-OE2 3.24Å; F460-E492 HydrophobicContact CZ-CB 4.45Å; F460-E492 WeakPolarHBondContact CZ-OE2 3.49Å |
| 461 | M | 95.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -76.1 | -11.7 | 177.1 | -67.7 | -62.8 | -72.1 | 0 | 0 | 113.6 | K440 Q457 S463 A865 G868 Y889 F891 | K440-M461 HydrophobicContact CD-SD 4.36Å; K440-M461 PolarHBondContact NZ-SD 3.2Å; K440-M461 VanDerWaalsContact NZ-SD 3.42Å; Q457-M461 WeakPolarHBondContact O-CB 3.27Å; Q457-M461 WeakPolarHBondContact O-CG 3.49Å; Q457-M461 PolarHBondContact O-N 3.13Å; M461-S463 VanDerWaalsContact C-N 3.32Å; M461-S463 PolarHBondContact O-N 3.18Å; M461-S463 PolarHBondContact O-OG 3.32Å; M461-A865 HydrophobicContact CB-CB 3.79Å; M461-A865 HydrophobicContact CG-CB 3.83Å; M461-G868 WeakPolarHBondContact O-CA 3.45Å; M461-G868 PolarHBondContact O-N 3.37Å; M461-Y889 HydrophobicContact CE-CD2 3.91Å; M461-Y889 HydrophobicContact CE-CE2 4.13Å; M461-F891 HydrophobicContact CE-CZ 4.38Å; M461-F891 HydrophobicContact CG-CE2 3.91Å; M461-F891 HydrophobicContact CG-CZ 3.77Å; M461-F891 HydrophobicContact SD-CE2 4.39Å; M461-F891 HydrophobicContact SD-CZ 3.85Å |
| 462 | A | 94.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 2% | 0.017 | 8% | 0.079 | C | C | . | . | trans | -74.7 | 81 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A458 L459 F460 D464 F465 R466 Y801 | A458-A462 PolarHBondContact O-N 3.39Å; L459-A462 WeakPolarHBondContact O-CB 3.4Å; L459-A462 PolarHBondContact O-N 3.5Å; F460-A462 VanDerWaalsContact C-N 3.27Å; F460-A462 PolarHBondContact O-N 2.91Å; A462-D464 VanDerWaalsContact C-N 3.33Å; A462-D464 PolarHBondContact O-N 2.94Å; A462-D464 VanDerWaalsContact O-N 3.1Å; A462-F465 HydrophobicContact CB-CB 4.29Å; A462-F465 WeakPolarHBondContact O-CA 3.42Å; A462-F465 WeakPolarHBondContact O-CB 3.19Å; A462-F465 PolarHBondContact O-N 3.08Å; A462-R466 PolarHBondContact O-N 2.79Å; A462-Y801 VanDerWaalsContact C-OH 3.25Å; A462-Y801 HydrophobicContact CB-CD1 4.37Å; A462-Y801 HydrophobicContact CB-CE1 3.82Å; A462-Y801 HydrophobicContact CB-CE2 4.09Å | ||
| 463 | S | 91.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 3% | 0.028 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -50.1 | -40.5 | -166.1 | -38.6 | 0 | 0 | 0 | 0 | 115.6 | M461 R466 H467 Y801 E867 G868 A869 | M461-S463 VanDerWaalsContact C-N 3.32Å; M461-S463 PolarHBondContact O-N 3.18Å; M461-S463 PolarHBondContact O-OG 3.32Å; S463-R466 PolarHBondContact O-N 3.28Å; S463-H467 WeakPolarHBondContact O-CB 3.46Å; S463-H467 PolarHBondContact O-CD2 3.27Å; S463-H467 PolarHBondContact O-N 3.19Å; S463-Y801 PolarHBondContact N-OH 3.16Å; S463-E867 WeakPolarHBondContact CB-OE1 3.28Å; S463-E867 WeakPolarHBondContact OG-CG 3.28Å; S463-E867 PolarHBondContact OG-OE1 3.23Å; S463-G868 PolarHBondContact OG-N 3Å; S463-G868 VanDerWaalsContact OG-N 3.13Å; S463-A869 PolarHBondContact OG-N 3.06Å |
| 464 | D | 91.8 | Very high | 92.2 | Very high | 31 Ų | 31 | 26.1 Ų | 26.1 | 17% | 0.166 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.5 | -39 | 177.4 | -73.2 | -54.8 | 0 | 0 | 0 | 111.6 | A462 H467 C468 M569 R800 Y801 R922 | A462-D464 VanDerWaalsContact C-N 3.33Å; A462-D464 PolarHBondContact O-N 2.94Å; A462-D464 VanDerWaalsContact O-N 3.1Å; D464-H467 PolarHBondContact O-N 3.37Å; D464-C468 PolarHBondContact O-N 2.86Å; D464-M569 HydrophobicContact CB-SD 3.8Å; D464-R800 VanDerWaalsContact CG-NE 3.32Å; D464-R800 IonicContact OD1-CZ 3.76Å; D464-R800 IonicContact OD1-NE 3.02Å; D464-R800 IonicContact OD1-NH2 2.71Å; D464-R800 PolarHBondContact OD1-NH2 3.44Å; D464-R800 IonicContact OD2-CZ 2.86Å; D464-R800 VanDerWaalsContact OD2-CZ 3.27Å; D464-R800 IonicContact OD2-NE 2.6Å; D464-R800 PolarHBondContact OD2-NE 2.89Å; D464-R800 IonicContact OD2-NH2 2.96Å; D464-R800 PolarHBondContact OD2-NH2 3.4Å; D464-Y801 HydrophobicContact CB-CE2 3.9Å; D464-Y801 PolarHBondContact N-OH 3Å; D464-R922 IonicContact OD2-CZ 3.16Å; D464-R922 VanDerWaalsContact OD2-CZ 3.23Å; D464-R922 IonicContact OD2-NE 2.77Å; D464-R922 PolarHBondContact OD2-NE 2.9Å; D464-R922 IonicContact OD2-NH2 3.38Å; D464-R922 PolarHBondContact OD2-NH2 3.39Å |
| 465 | F | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71 | -43 | 175.6 | 178.4 | -106.4 | 0 | 0 | 0 | 111.1 | L459 A462 H467 C468 V469 L484 F488 L532 M569 F570 | L459-F465 HydrophobicContact CB-CD1 4.13Å; L459-F465 HydrophobicContact CB-CE1 4Å; L459-F465 HydrophobicContact CD2-CD1 4.22Å; L459-F465 HydrophobicContact CD2-CE1 4.13Å; L459-F465 HydrophobicContact CG-CE1 4.45Å; A462-F465 HydrophobicContact CB-CB 4.29Å; A462-F465 WeakPolarHBondContact O-CA 3.42Å; A462-F465 WeakPolarHBondContact O-CB 3.19Å; A462-F465 PolarHBondContact O-N 3.08Å; F465-H467 VanDerWaalsContact C-N 3.3Å; F465-H467 PolarHBondContact O-N 3.04Å; F465-C468 WeakPolarHBondContact O-CB 3.37Å; F465-C468 PolarHBondContact O-N 2.68Å; F465-C468 VanDerWaalsContact O-N 3.08Å; F465-V469 HydrophobicContact CD1-CG2 4.21Å; F465-V469 HydrophobicContact CD2-CG2 4.4Å; F465-V469 HydrophobicContact CE1-CG2 3.79Å; F465-V469 HydrophobicContact CE2-CG2 4Å; F465-V469 HydrophobicContact CZ-CG2 3.67Å; F465-V469 WeakPolarHBondContact O-CG2 3.32Å; F465-V469 PolarHBondContact O-N 3.06Å; F465-L484 HydrophobicContact CE1-CD2 4.01Å; F465-L484 HydrophobicContact CZ-CD2 3.93Å; F465-F488 HydrophobicContact CD1-CE2 4.25Å; F465-F488 HydrophobicContact CE1-CE2 4.11Å; F465-F488 HydrophobicContact CE1-CZ 4.29Å; F465-L532 HydrophobicContact CZ-CD1 4.21Å; F465-M569 HydrophobicContact CB-CG 4.33Å; F465-M569 HydrophobicContact CD2-CG 4.18Å; F465-F570 HydrophobicContact CB-CZ 4.1Å; F465-F570 HydrophobicContact CD1-CZ 4.35Å; F465-F570 AromaticContact CD2-CE2 3.65Å; F465-F570 HydrophobicContact CD2-CE2 3.65Å; F465-F570 HydrophobicContact CD2-CZ 4.05Å; F465-F570 AromaticContact CE2-CE2 3.95Å; F465-F570 HydrophobicContact CE2-CE2 3.95Å; F465-F570 HydrophobicContact CG-CE2 4Å; F465-F570 AromaticContact CG-CZ 3.9Å; F465-F570 HydrophobicContact CG-CZ 3.9Å |
| 466 | R | 94.3 | Very high | 90.1 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.3 | -46.5 | 171.1 | -178.1 | 165.7 | 87.5 | -99.6 | 7.7 | 111.4 | F460 A462 S463 C468 V469 L470 F488 E492 E867 | F460-R466 HydrophobicContact CD2-CG 4.24Å; F460-R466 HydrophobicContact CE2-CG 4.33Å; F460-R466 WeakPolarHBondContact O-CB 3.12Å; F460-R466 WeakPolarHBondContact O-CD 3.39Å; F460-R466 PolarHBondContact O-NH1 3.16Å; A462-R466 PolarHBondContact O-N 2.79Å; S463-R466 PolarHBondContact O-N 3.28Å; R466-C468 PolarHBondContact O-N 3.12Å; R466-V469 PolarHBondContact O-N 2.99Å; R466-L470 HydrophobicContact CG-CD1 3.84Å; R466-L470 HydrophobicContact CG-CG 4.14Å; R466-L470 WeakPolarHBondContact O-CB 3.48Å; R466-L470 VanDerWaalsContact O-CG 3.31Å; R466-L470 WeakPolarHBondContact O-CG 3.25Å; R466-L470 PolarHBondContact O-N 2.76Å; R466-F488 HydrophobicContact CB-CD2 4.47Å; R466-F488 HydrophobicContact CG-CD2 4.16Å; R466-E492 VanDerWaalsContact CD-OE2 3.22Å; R466-E492 WeakPolarHBondContact CD-OE2 3.12Å; R466-E492 IonicContact CZ-OE1 3.71Å; R466-E492 IonicContact CZ-OE2 2.7Å; R466-E492 IonicContact NE-OE1 2.67Å; R466-E492 PolarHBondContact NE-OE1 2.94Å; R466-E492 IonicContact NE-OE2 3.41Å; R466-E492 PolarHBondContact NE-OE2 3.16Å; R466-E492 IonicContact NH2-OE1 3.23Å; R466-E492 PolarHBondContact NH2-OE1 3Å; R466-E492 IonicContact NH2-OE2 3.87Å; R466-E867 IonicContact CZ-OE1 2.71Å; R466-E867 IonicContact NH1-OE1 2.9Å; R466-E867 PolarHBondContact NH1-OE1 2.78Å; R466-E867 IonicContact NH2-OE1 3.44Å; R466-E867 PolarHBondContact NH2-OE1 2.8Å; R466-E867 VanDerWaalsContact NH2-OE1 3.08Å; R466-E867 IonicContact NH2-OE2 2.72Å |
| 467 | H | 90.5 | Very high | 89.3 | Confident | 69 Ų | 69 | 38.7 Ų | 38.7 | 32% | 0.319 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.6 | -32.1 | 176.8 | -65.9 | -30.6 | 0 | 0 | 0 | 113.6 | S463 D464 F465 R471 | S463-H467 WeakPolarHBondContact O-CB 3.46Å; S463-H467 PolarHBondContact O-CD2 3.27Å; S463-H467 PolarHBondContact O-N 3.19Å; D464-H467 PolarHBondContact O-N 3.37Å; F465-H467 VanDerWaalsContact C-N 3.3Å; F465-H467 PolarHBondContact O-N 3.04Å; H467-R471 WeakPolarHBondContact O-CB 3.17Å; H467-R471 WeakPolarHBondContact O-CD 3.14Å; H467-R471 WeakPolarHBondContact O-CG 3.34Å; H467-R471 PolarHBondContact O-N 3.34Å |
| 468 | C | 90.3 | Very high | 88.8 | Confident | 51 Ų | 51 | 39.6 Ų | 39.6 | 35% | 0.345 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.8 | -49.1 | 170.7 | -80.5 | 0 | 0 | 0 | 0 | 111.7 | D464 F465 R466 R471 L472 | D464-C468 PolarHBondContact O-N 2.86Å; F465-C468 WeakPolarHBondContact O-CB 3.37Å; F465-C468 PolarHBondContact O-N 2.68Å; F465-C468 VanDerWaalsContact O-N 3.08Å; R466-C468 PolarHBondContact O-N 3.12Å; C468-R471 PolarHBondContact O-N 3.23Å; C468-L472 PolarHBondContact O-N 2.73Å |
| 469 | V | 92.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | 178.5 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | F465 R466 R471 L472 M481 L484 Q485 F488 | F465-V469 HydrophobicContact CD1-CG2 4.21Å; F465-V469 HydrophobicContact CD2-CG2 4.4Å; F465-V469 HydrophobicContact CE1-CG2 3.79Å; F465-V469 HydrophobicContact CE2-CG2 4Å; F465-V469 HydrophobicContact CZ-CG2 3.67Å; F465-V469 WeakPolarHBondContact O-CG2 3.32Å; F465-V469 PolarHBondContact O-N 3.06Å; R466-V469 PolarHBondContact O-N 2.99Å; V469-R471 PolarHBondContact O-N 3.05Å; V469-L472 WeakPolarHBondContact O-CB 3.19Å; V469-L472 PolarHBondContact O-N 2.73Å; V469-M481 HydrophobicContact CG2-SD 3.85Å; V469-L484 HydrophobicContact CG1-CB 4.24Å; V469-L484 HydrophobicContact CG1-CD2 4.38Å; V469-L484 HydrophobicContact CG1-CG 4.04Å; V469-L484 HydrophobicContact CG2-CD2 3.94Å; V469-L484 HydrophobicContact CG2-CG 4.48Å; V469-Q485 HydrophobicContact CG1-CB 4.03Å; V469-Q485 WeakPolarHBondContact O-CG 3.3Å; V469-F488 HydrophobicContact CB-CD2 3.87Å; V469-F488 HydrophobicContact CB-CE2 4.19Å; V469-F488 HydrophobicContact CG1-CB 4.43Å; V469-F488 HydrophobicContact CG1-CD2 3.6Å; V469-F488 HydrophobicContact CG1-CE2 4.18Å; V469-F488 HydrophobicContact CG1-CG 4.21Å; V469-F488 HydrophobicContact CG2-CD2 4.26Å; V469-F488 HydrophobicContact CG2-CE2 4.06Å |
| 470 | L | 90.6 | Very high | 88.3 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.5 | -22.6 | -178.8 | -66.4 | -174.5 | 0 | 0 | 0 | 113.3 | R466 Q485 F488 P942 L944 | R466-L470 HydrophobicContact CG-CD1 3.84Å; R466-L470 HydrophobicContact CG-CG 4.14Å; R466-L470 WeakPolarHBondContact O-CB 3.48Å; R466-L470 VanDerWaalsContact O-CG 3.31Å; R466-L470 WeakPolarHBondContact O-CG 3.25Å; R466-L470 PolarHBondContact O-N 2.76Å; L470-Q485 PolarHBondContact O-NE2 2.76Å; L470-Q485 VanDerWaalsContact O-NE2 3.12Å; L470-F488 HydrophobicContact CD2-CB 3.63Å; L470-F488 HydrophobicContact CG-CB 4.43Å; L470-P942 HydrophobicContact CB-CG 4.3Å; L470-L944 HydrophobicContact CB-CD2 3.89Å; L470-L944 HydrophobicContact CD1-CD2 4.42Å; L470-L944 HydrophobicContact CD2-CD2 3.84Å; L470-L944 HydrophobicContact CG-CD2 4.24Å |
| 471 | R | 88.6 | Confident | 88.2 | Confident | 144 Ų | 144 | 44 Ų | 44 | 54% | 0.543 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 4.9 | 177.4 | -70 | 175.1 | 173.6 | -177.6 | -2.7 | 114.6 | H467 C468 V469 P942 | H467-R471 WeakPolarHBondContact O-CB 3.17Å; H467-R471 WeakPolarHBondContact O-CD 3.14Å; H467-R471 WeakPolarHBondContact O-CG 3.34Å; H467-R471 PolarHBondContact O-N 3.34Å; C468-R471 PolarHBondContact O-N 3.23Å; V469-R471 PolarHBondContact O-N 3.05Å; R471-P942 HydrophobicContact CG-CB 3.57Å; R471-P942 HydrophobicContact CG-CG 4.43Å |
| 472 | L | 86.8 | Confident | 88 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 9% | 0.089 | 24% | 0.244 | C | C | . | . | trans | -54.6 | 142 | 169.9 | -172.7 | 69.8 | 0 | 0 | 0 | 109.5 | C468 V469 N476 M481 T482 Q485 H945 | C468-L472 PolarHBondContact O-N 2.73Å; V469-L472 WeakPolarHBondContact O-CB 3.19Å; V469-L472 PolarHBondContact O-N 2.73Å; L472-N476 HydrophobicContact CD1-CB 3.93Å; L472-N476 WeakPolarHBondContact CD2-ND2 3.47Å; L472-N476 HydrophobicContact CG-CB 4.16Å; L472-M481 HydrophobicContact CD1-CG 4.27Å; L472-M481 HydrophobicContact CD2-CB 3.86Å; L472-M481 HydrophobicContact CD2-CG 3.75Å; L472-M481 HydrophobicContact CG-CG 4.5Å; L472-T482 WeakPolarHBondContact CD2-OG1 3.36Å; L472-Q485 PolarHBondContact O-NE2 2.97Å; L472-H945 PolarHBondContact O-NE2 3.47Å | ||
| 473 | T | 82.1 | Confident | 88 | Confident | 84 Ų | 84 | 50.2 Ų | 50.2 | 52% | 0.515 | 26% | 0.264 | S | S | . | . | trans | -91.4 | 148.5 | -176.9 | 52.4 | 0 | 0 | 0 | 0 | 112.2 | N475 N476 H945 | T473-N475 VanDerWaalsContact C-N 3.32Å; T473-N475 PolarHBondContact O-N 2.69Å; T473-N476 VanDerWaalsContact O-CB 3.28Å; T473-N476 WeakPolarHBondContact O-CB 3.39Å; T473-N476 PolarHBondContact O-N 3.48Å; T473-N476 PolarHBondContact O-ND2 3.08Å; T473-H945 VanDerWaalsContact CA-NE2 3.26Å; T473-H945 WeakPolarHBondContact CA-NE2 3.48Å | ||
| 474 | E | 70.6 | Confident | 88.2 | Confident | 117 Ų | 117 | 50 Ų | 50 | 55% | 0.547 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -50.1 | -47.7 | 178.5 | -69.4 | 168.1 | 176.8 | 0 | 0 | 113 | N476 H945 | E474-N476 VanDerWaalsContact C-N 3.29Å; E474-N476 PolarHBondContact O-N 3.15Å; E474-H945 HydrophobicContact CG-CB 4.2Å; E474-H945 PolarHBondContact N-NE2 2.96Å; E474-H945 IonicContact OE1-CE1 3.27Å; E474-H945 IonicContact OE1-CG 2.8Å; E474-H945 IonicContact OE1-ND1 2.92Å |
| 475 | N | 71.8 | Confident | 88.3 | Confident | 160 Ų | 160 | 48.6 Ų | 48.6 | 86% | 0.856 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -84.4 | 64.4 | 177 | -67.7 | -64.7 | 0 | 0 | 0 | 111.8 | T473 | T473-N475 VanDerWaalsContact C-N 3.32Å; T473-N475 PolarHBondContact O-N 2.69Å |
| 476 | N | 80.3 | Confident | 88.3 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | trans | -110.7 | 164.5 | 174.8 | 77.5 | 82.6 | 0 | 0 | 0 | 112.8 | L472 T473 E474 Q478 T482 | L472-N476 HydrophobicContact CD1-CB 3.93Å; L472-N476 WeakPolarHBondContact CD2-ND2 3.47Å; L472-N476 HydrophobicContact CG-CB 4.16Å; T473-N476 VanDerWaalsContact O-CB 3.28Å; T473-N476 WeakPolarHBondContact O-CB 3.39Å; T473-N476 PolarHBondContact O-N 3.48Å; T473-N476 PolarHBondContact O-ND2 3.08Å; E474-N476 VanDerWaalsContact C-N 3.29Å; E474-N476 PolarHBondContact O-N 3.15Å; N476-Q478 WeakPolarHBondContact OD1-CA 3.1Å; N476-Q478 WeakPolarHBondContact OD1-CB 3.38Å; N476-Q478 PolarHBondContact OD1-N 3.41Å; N476-Q478 PolarHBondContact OD1-O 2.92Å; N476-Q478 VanDerWaalsContact OD1-O 3.1Å; N476-T482 PolarHBondContact ND2-OG1 3.08Å; N476-T482 PolarHBondContact OD1-OG1 3.17Å; N476-T482 VanDerWaalsContact OD1-OG1 3.05Å | ||
| 477 | S | 81.2 | Confident | 88.4 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 45% | 0.448 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -110.4 | 25.8 | 177 | 47.7 | 0 | 0 | 0 | 0 | 113.1 | P479 | S477-P479 VanDerWaalsContact O-CD 3.31Å; S477-P479 WeakPolarHBondContact O-CD 3.32Å |
| 478 | Q | 87.2 | Confident | 88.6 | Confident | 23 Ų | 23 | 50.2 Ų | 50.2 | 11% | 0.107 | 26% | 0.259 | C | S | . | . | trans | -118 | 77.9 | -174.6 | -60.2 | 173.6 | 35.9 | 0 | 0 | 109.7 | N476 L480 M481 T482 E535 E536 | N476-Q478 WeakPolarHBondContact OD1-CA 3.1Å; N476-Q478 WeakPolarHBondContact OD1-CB 3.38Å; N476-Q478 PolarHBondContact OD1-N 3.41Å; N476-Q478 PolarHBondContact OD1-O 2.92Å; N476-Q478 VanDerWaalsContact OD1-O 3.1Å; Q478-L480 VanDerWaalsContact C-N 3.34Å; Q478-L480 PolarHBondContact O-N 3.29Å; Q478-M481 HydrophobicContact CB-CB 3.68Å; Q478-M481 PolarHBondContact O-N 3.14Å; Q478-T482 WeakPolarHBondContact O-CB 3.39Å; Q478-T482 PolarHBondContact O-N 3.39Å; Q478-T482 PolarHBondContact O-OG1 2.95Å; Q478-E535 WeakPolarHBondContact CA-OE1 3.21Å; Q478-E535 HydrophobicContact CB-CG 4.22Å; Q478-E535 WeakPolarHBondContact CB-OE1 3.02Å; Q478-E535 HydrophobicContact CG-CG 4.38Å; Q478-E536 HydrophobicContact CG-CB 4.14Å | ||
| 479 | P | 91 | Very high | 88.8 | Confident | 88 Ų | 88 | 47.8 Ų | 47.8 | 57% | 0.571 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.3 | -34.3 | -173.7 | 25.5 | -34.8 | 0 | 0 | 0 | 113.2 | S477 K483 E535 | S477-P479 VanDerWaalsContact O-CD 3.31Å; S477-P479 WeakPolarHBondContact O-CD 3.32Å; P479-K483 WeakPolarHBondContact O-CG 3.26Å; P479-K483 PolarHBondContact O-N 3.04Å; P479-K483 VanDerWaalsContact O-N 3.13Å; P479-E535 VanDerWaalsContact CD-OE2 3.26Å; P479-E535 WeakPolarHBondContact CD-OE2 3.48Å; P479-E535 WeakPolarHBondContact CG-OE2 3.39Å |
| 480 | L | 93.7 | Very high | 88.9 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -74.5 | -43.3 | 177.8 | -171.6 | 62.6 | 0 | 0 | 0 | 111.2 | Q478 T482 K483 L484 F504 A507 L528 R531 L532 E535 | Q478-L480 VanDerWaalsContact C-N 3.34Å; Q478-L480 PolarHBondContact O-N 3.29Å; L480-T482 PolarHBondContact O-N 3.4Å; L480-K483 PolarHBondContact O-N 2.88Å; L480-K483 VanDerWaalsContact O-N 3.08Å; L480-L484 PolarHBondContact O-N 3.36Å; L480-F504 HydrophobicContact CD1-CD2 4.35Å; L480-F504 HydrophobicContact CD1-CE2 3.57Å; L480-F504 HydrophobicContact CD1-CZ 3.87Å; L480-F504 HydrophobicContact CG-CE2 4.02Å; L480-F504 HydrophobicContact CG-CZ 4.18Å; L480-A507 HydrophobicContact CD1-CB 3.81Å; L480-L528 HydrophobicContact CD2-CD1 4.09Å; L480-R531 HydrophobicContact CD2-CB 3.75Å; L480-L532 HydrophobicContact CB-CD2 4.07Å; L480-L532 HydrophobicContact CD2-CD2 4.07Å; L480-L532 HydrophobicContact CD2-CG 4.29Å; L480-L532 HydrophobicContact CG-CD2 3.95Å; L480-E535 WeakPolarHBondContact CB-OE1 3.45Å; L480-E535 VanDerWaalsContact CB-OE2 3.25Å; L480-E535 WeakPolarHBondContact CB-OE2 3.04Å; L480-E535 PolarHBondContact N-OE1 3.1Å; L480-E535 VanDerWaalsContact N-OE1 3.1Å; L480-E535 PolarHBondContact N-OE2 3.25Å |
| 481 | M | 93.1 | Very high | 89 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.02 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.5 | -37.2 | 173.1 | -163.1 | 82.1 | 77.1 | 0 | 0 | 111.3 | V469 L472 Q478 L484 Q485 L532 E535 | V469-M481 HydrophobicContact CG2-SD 3.85Å; L472-M481 HydrophobicContact CD1-CG 4.27Å; L472-M481 HydrophobicContact CD2-CB 3.86Å; L472-M481 HydrophobicContact CD2-CG 3.75Å; L472-M481 HydrophobicContact CG-CG 4.5Å; Q478-M481 HydrophobicContact CB-CB 3.68Å; Q478-M481 PolarHBondContact O-N 3.14Å; M481-L484 WeakPolarHBondContact O-CB 3.34Å; M481-L484 PolarHBondContact O-N 3.32Å; M481-Q485 WeakPolarHBondContact O-CB 3.3Å; M481-Q485 PolarHBondContact O-N 3.46Å; M481-L532 HydrophobicContact CB-CD2 4Å; M481-L532 HydrophobicContact CE-CB 4.38Å; M481-L532 HydrophobicContact CE-CD2 4.17Å; M481-L532 HydrophobicContact SD-CD2 3.95Å; M481-E535 PolarHBondContact N-OE1 2.83Å |
| 482 | T | 92.4 | Very high | 89.1 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 23% | 0.233 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 174.2 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | L472 N476 Q478 L480 L484 Q485 W486 | L472-T482 WeakPolarHBondContact CD2-OG1 3.36Å; N476-T482 PolarHBondContact ND2-OG1 3.08Å; N476-T482 PolarHBondContact OD1-OG1 3.17Å; N476-T482 VanDerWaalsContact OD1-OG1 3.05Å; Q478-T482 WeakPolarHBondContact O-CB 3.39Å; Q478-T482 PolarHBondContact O-N 3.39Å; Q478-T482 PolarHBondContact O-OG1 2.95Å; L480-T482 PolarHBondContact O-N 3.4Å; T482-L484 VanDerWaalsContact C-N 3.3Å; T482-L484 PolarHBondContact O-N 2.72Å; T482-Q485 WeakPolarHBondContact O-CB 3.4Å; T482-Q485 PolarHBondContact O-N 3.11Å; T482-W486 PolarHBondContact O-N 3.46Å; T482-W486 VanDerWaalsContact O-N 3.09Å |
| 483 | K | 93.9 | Very high | 89.3 | Confident | 96 Ų | 96 | 48.6 Ų | 48.6 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | 173.4 | -68.9 | -72.7 | -175.8 | 173.9 | 0 | 112 | P479 L480 W486 L487 F504 A507 | P479-K483 WeakPolarHBondContact O-CG 3.26Å; P479-K483 PolarHBondContact O-N 3.04Å; P479-K483 VanDerWaalsContact O-N 3.13Å; L480-K483 PolarHBondContact O-N 2.88Å; L480-K483 VanDerWaalsContact O-N 3.08Å; K483-W486 PolarHBondContact O-N 3.06Å; K483-L487 PolarHBondContact O-N 3.25Å; K483-L487 VanDerWaalsContact O-N 3.16Å; K483-F504 HydrophobicContact CB-CD2 3.79Å; K483-F504 HydrophobicContact CB-CE2 4.27Å; K483-A507 HydrophobicContact CG-CB 4.27Å |
| 484 | L | 95.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69 | -39.3 | 174.5 | -167.8 | 60.7 | 0 | 0 | 0 | 111.8 | L456 F465 V469 L480 M481 T482 W486 L487 F488 F504 L532 | L456-L484 HydrophobicContact CD2-CD1 3.9Å; F465-L484 HydrophobicContact CE1-CD2 4.01Å; F465-L484 HydrophobicContact CZ-CD2 3.93Å; V469-L484 HydrophobicContact CG1-CB 4.24Å; V469-L484 HydrophobicContact CG1-CD2 4.38Å; V469-L484 HydrophobicContact CG1-CG 4.04Å; V469-L484 HydrophobicContact CG2-CD2 3.94Å; V469-L484 HydrophobicContact CG2-CG 4.48Å; L480-L484 PolarHBondContact O-N 3.36Å; M481-L484 WeakPolarHBondContact O-CB 3.34Å; M481-L484 PolarHBondContact O-N 3.32Å; T482-L484 VanDerWaalsContact C-N 3.3Å; T482-L484 PolarHBondContact O-N 2.72Å; L484-W486 VanDerWaalsContact C-N 3.33Å; L484-W486 PolarHBondContact O-N 3.5Å; L484-L487 PolarHBondContact O-N 3.34Å; L484-F488 HydrophobicContact CD1-CD1 3.94Å; L484-F488 HydrophobicContact CD1-CE1 3.53Å; L484-F488 HydrophobicContact CD1-CZ 3.87Å; L484-F488 HydrophobicContact CD2-CE2 4.41Å; L484-F488 HydrophobicContact CD2-CZ 4.27Å; L484-F488 HydrophobicContact CG-CD1 4.29Å; L484-F488 HydrophobicContact CG-CD2 4.47Å; L484-F488 HydrophobicContact CG-CE1 4.08Å; L484-F488 HydrophobicContact CG-CE2 4.25Å; L484-F488 HydrophobicContact CG-CG 4.5Å; L484-F488 HydrophobicContact CG-CZ 4.06Å; L484-F488 WeakPolarHBondContact O-CB 3.38Å; L484-F488 PolarHBondContact O-N 3.35Å; L484-F504 HydrophobicContact CB-CD2 4.17Å; L484-F504 HydrophobicContact CB-CE2 3.6Å; L484-F504 HydrophobicContact CB-CZ 4.18Å; L484-F504 HydrophobicContact CD1-CD1 4.5Å; L484-F504 HydrophobicContact CD1-CD2 4.28Å; L484-F504 HydrophobicContact CD1-CE1 4.11Å; L484-F504 HydrophobicContact CD1-CE2 3.9Å; L484-F504 HydrophobicContact CD1-CZ 3.8Å; L484-F504 HydrophobicContact CG-CE2 4.28Å; L484-F504 HydrophobicContact CG-CZ 4.44Å; L484-L532 HydrophobicContact CD2-CD1 4.12Å |
| 485 | Q | 94.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | 173.6 | -175 | -175.1 | 34.6 | 0 | 0 | 111.7 | V469 L470 L472 M481 T482 G489 L948 | V469-Q485 HydrophobicContact CG1-CB 4.03Å; V469-Q485 WeakPolarHBondContact O-CG 3.3Å; L470-Q485 PolarHBondContact O-NE2 2.76Å; L470-Q485 VanDerWaalsContact O-NE2 3.12Å; L472-Q485 PolarHBondContact O-NE2 2.97Å; M481-Q485 WeakPolarHBondContact O-CB 3.3Å; M481-Q485 PolarHBondContact O-N 3.46Å; T482-Q485 WeakPolarHBondContact O-CB 3.4Å; T482-Q485 PolarHBondContact O-N 3.11Å; Q485-G489 PolarHBondContact O-N 2.9Å; Q485-L948 HydrophobicContact CG-CD2 4.36Å |
| 486 | W | 93.8 | Very high | 91.1 | Very high | 100 Ų | 100 | 38 Ų | 38 | 38% | 0.379 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59 | -51.5 | 172.3 | -88.6 | 72.2 | 0 | 0 | 0 | 111.5 | T482 K483 L484 F488 G489 F490 L948 A951 | T482-W486 PolarHBondContact O-N 3.46Å; T482-W486 VanDerWaalsContact O-N 3.09Å; K483-W486 PolarHBondContact O-N 3.06Å; L484-W486 VanDerWaalsContact C-N 3.33Å; L484-W486 PolarHBondContact O-N 3.5Å; W486-F488 PolarHBondContact O-N 2.8Å; W486-G489 PolarHBondContact O-N 3.22Å; W486-F490 AromaticContact CE3-CE2 3.99Å; W486-F490 HydrophobicContact CE3-CE2 3.99Å; W486-F490 HydrophobicContact CZ3-CE2 4.17Å; W486-F490 WeakPolarHBondContact O-CD2 3.33Å; W486-F490 PolarHBondContact O-N 3.11Å; W486-L948 HydrophobicContact CB-CD1 4.41Å; W486-L948 HydrophobicContact CD2-CD1 3.67Å; W486-L948 HydrophobicContact CE3-CD1 3.67Å; W486-L948 HydrophobicContact CG-CD1 4.03Å; W486-L948 HydrophobicContact CH2-CD1 4.43Å; W486-L948 HydrophobicContact CZ2-CB 4.32Å; W486-L948 HydrophobicContact CZ2-CD1 4.44Å; W486-L948 HydrophobicContact CZ3-CD1 4.07Å; W486-A951 HydrophobicContact CH2-CB 3.62Å; W486-A951 HydrophobicContact CZ3-CB 3.57Å |
| 487 | L | 95.6 | Very high | 91.2 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | -179.9 | -174.7 | 65.5 | 0 | 0 | 0 | 112.5 | L443 L456 K483 L484 G489 F490 L491 I499 P501 F504 | L443-L487 HydrophobicContact CD2-CD1 4.2Å; L456-L487 HydrophobicContact CD1-CD2 3.78Å; L456-L487 HydrophobicContact CD2-CD2 4.42Å; K483-L487 PolarHBondContact O-N 3.25Å; K483-L487 VanDerWaalsContact O-N 3.16Å; L484-L487 PolarHBondContact O-N 3.34Å; L487-G489 VanDerWaalsContact C-N 3.34Å; L487-G489 PolarHBondContact O-N 3.27Å; L487-F490 PolarHBondContact O-N 3.24Å; L487-L491 PolarHBondContact O-N 3.24Å; L487-I499 HydrophobicContact CD1-CD1 3.73Å; L487-I499 HydrophobicContact CD1-CG1 4.39Å; L487-P501 HydrophobicContact CD1-CB 4.45Å; L487-P501 HydrophobicContact CD2-CB 4.33Å; L487-F504 HydrophobicContact CD2-CB 4.01Å; L487-F504 HydrophobicContact CD2-CD1 4.44Å; L487-F504 HydrophobicContact CD2-CG 4.26Å |
| 488 | F | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.3 | -34 | 179 | -76.7 | 9.7 | 0 | 0 | 0 | 112.1 | L459 F460 F465 R466 V469 L470 L484 W486 L491 E492 | L459-F488 HydrophobicContact CB-CZ 4.18Å; F460-F488 HydrophobicContact CB-CD1 4.37Å; F460-F488 HydrophobicContact CB-CE1 3.89Å; F460-F488 HydrophobicContact CB-CZ 3.98Å; F460-F488 HydrophobicContact CD2-CB 4.09Å; F460-F488 AromaticContact CD2-CD1 3.77Å; F460-F488 HydrophobicContact CD2-CD1 3.77Å; F460-F488 HydrophobicContact CD2-CD2 4.14Å; F460-F488 HydrophobicContact CD2-CE1 4.15Å; F460-F488 AromaticContact CD2-CG 3.75Å; F460-F488 HydrophobicContact CD2-CG 3.75Å; F460-F488 HydrophobicContact CE2-CB 4.26Å; F460-F488 HydrophobicContact CE2-CG 4.41Å; F465-F488 HydrophobicContact CD1-CE2 4.25Å; F465-F488 HydrophobicContact CE1-CE2 4.11Å; F465-F488 HydrophobicContact CE1-CZ 4.29Å; R466-F488 HydrophobicContact CB-CD2 4.47Å; R466-F488 HydrophobicContact CG-CD2 4.16Å; V469-F488 HydrophobicContact CB-CD2 3.87Å; V469-F488 HydrophobicContact CB-CE2 4.19Å; V469-F488 HydrophobicContact CG1-CB 4.43Å; V469-F488 HydrophobicContact CG1-CD2 3.6Å; V469-F488 HydrophobicContact CG1-CE2 4.18Å; V469-F488 HydrophobicContact CG1-CG 4.21Å; V469-F488 HydrophobicContact CG2-CD2 4.26Å; V469-F488 HydrophobicContact CG2-CE2 4.06Å; L470-F488 HydrophobicContact CD2-CB 3.63Å; L470-F488 HydrophobicContact CG-CB 4.43Å; L484-F488 HydrophobicContact CD1-CD1 3.94Å; L484-F488 HydrophobicContact CD1-CE1 3.53Å; L484-F488 HydrophobicContact CD1-CZ 3.87Å; L484-F488 HydrophobicContact CD2-CE2 4.41Å; L484-F488 HydrophobicContact CD2-CZ 4.27Å; L484-F488 HydrophobicContact CG-CD1 4.29Å; L484-F488 HydrophobicContact CG-CD2 4.47Å; L484-F488 HydrophobicContact CG-CE1 4.08Å; L484-F488 HydrophobicContact CG-CE2 4.25Å; L484-F488 HydrophobicContact CG-CG 4.5Å; L484-F488 HydrophobicContact CG-CZ 4.06Å; L484-F488 WeakPolarHBondContact O-CB 3.38Å; L484-F488 PolarHBondContact O-N 3.35Å; W486-F488 PolarHBondContact O-N 2.8Å; F488-L491 HydrophobicContact CD1-CD1 4.18Å; F488-L491 PolarHBondContact O-N 3.48Å; F488-E492 PolarHBondContact O-N 3.17Å |
| 489 | G | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q485 W486 L487 E492 H493 I952 | Q485-G489 PolarHBondContact O-N 2.9Å; W486-G489 PolarHBondContact O-N 3.22Å; L487-G489 VanDerWaalsContact C-N 3.34Å; L487-G489 PolarHBondContact O-N 3.27Å; G489-E492 PolarHBondContact O-N 3.31Å; G489-H493 WeakPolarHBondContact O-CB 3.05Å; G489-H493 PolarHBondContact O-N 2.88Å; G489-H493 VanDerWaalsContact O-N 3.15Å; G489-I952 WeakPolarHBondContact O-CD1 3.34Å |
| 490 | F | 93.3 | Very high | 91.9 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 16% | 0.162 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.9 | -34.8 | 173.2 | -84.4 | -87.6 | 0 | 0 | 0 | 112.9 | W486 L487 S494 I499 L948 I952 D955 | W486-F490 AromaticContact CE3-CE2 3.99Å; W486-F490 HydrophobicContact CE3-CE2 3.99Å; W486-F490 HydrophobicContact CZ3-CE2 4.17Å; W486-F490 WeakPolarHBondContact O-CD2 3.33Å; W486-F490 PolarHBondContact O-N 3.11Å; L487-F490 PolarHBondContact O-N 3.24Å; F490-S494 WeakPolarHBondContact O-CB 3.27Å; F490-S494 PolarHBondContact O-N 2.72Å; F490-I499 HydrophobicContact CB-CD1 3.52Å; F490-L948 HydrophobicContact CD2-CD1 4.35Å; F490-L948 HydrophobicContact CE2-CD1 4.21Å; F490-I952 HydrophobicContact CD1-CG1 3.99Å; F490-I952 HydrophobicContact CD2-CD1 4.46Å; F490-I952 HydrophobicContact CD2-CG1 3.85Å; F490-I952 HydrophobicContact CE1-CB 4.38Å; F490-I952 HydrophobicContact CE1-CG1 3.84Å; F490-I952 HydrophobicContact CE2-CG1 3.7Å; F490-I952 HydrophobicContact CG-CG1 3.99Å; F490-I952 HydrophobicContact CZ-CB 4.42Å; F490-I952 HydrophobicContact CZ-CG1 3.7Å; F490-D955 HydrophobicContact CE1-CB 3.8Å; F490-D955 WeakPolarHBondContact CE1-OD2 3.28Å; F490-D955 HydrophobicContact CZ-CB 4.33Å |
| 491 | L | 93.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.4 | -29.9 | 173.8 | -72.4 | 177.8 | 0 | 0 | 0 | 113.6 | I441 L443 F460 L487 F488 I499 | I441-L491 HydrophobicContact CB-CD2 3.93Å; I441-L491 WeakPolarHBondContact CG1-O 3.33Å; I441-L491 HydrophobicContact CG2-CD2 4.2Å; L443-L491 HydrophobicContact CD2-CD2 3.86Å; L443-L491 HydrophobicContact CG-CD2 4.32Å; F460-L491 HydrophobicContact CB-CD1 4.23Å; F460-L491 HydrophobicContact CD1-CD1 4.36Å; F460-L491 HydrophobicContact CD2-CB 3.86Å; F460-L491 HydrophobicContact CD2-CD1 3.75Å; F460-L491 HydrophobicContact CD2-CG 4.48Å; F460-L491 HydrophobicContact CE1-CB 4.1Å; F460-L491 HydrophobicContact CE2-CB 3.34Å; F460-L491 HydrophobicContact CE2-CD1 4.16Å; F460-L491 HydrophobicContact CE2-CG 4.4Å; F460-L491 HydrophobicContact CG-CB 4.42Å; F460-L491 HydrophobicContact CG-CD1 3.87Å; F460-L491 HydrophobicContact CZ-CB 3.49Å; F460-L491 VanDerWaalsContact CZ-CB 3.49Å; L487-L491 PolarHBondContact O-N 3.24Å; F488-L491 HydrophobicContact CD1-CD1 4.18Å; F488-L491 PolarHBondContact O-N 3.48Å; L491-I499 HydrophobicContact CD2-CD1 3.72Å; L491-I499 HydrophobicContact CD2-CG1 4.12Å; L491-I499 HydrophobicContact CG-CD1 3.89Å |
| 492 | E | 91.6 | Very high | 91.7 | Very high | 73 Ų | 73 | 36.4 Ų | 36.4 | 34% | 0.341 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -81.7 | -27.2 | 177 | -154 | 86.6 | 174.1 | 0 | 0 | 112.4 | F460 R466 F488 G489 | F460-E492 WeakPolarHBondContact CE2-OE2 3.24Å; F460-E492 HydrophobicContact CZ-CB 4.45Å; F460-E492 WeakPolarHBondContact CZ-OE2 3.49Å; R466-E492 VanDerWaalsContact CD-OE2 3.22Å; R466-E492 WeakPolarHBondContact CD-OE2 3.12Å; R466-E492 IonicContact CZ-OE1 3.71Å; R466-E492 IonicContact CZ-OE2 2.7Å; R466-E492 IonicContact NE-OE1 2.67Å; R466-E492 PolarHBondContact NE-OE1 2.94Å; R466-E492 IonicContact NE-OE2 3.41Å; R466-E492 PolarHBondContact NE-OE2 3.16Å; R466-E492 IonicContact NH2-OE1 3.23Å; R466-E492 PolarHBondContact NH2-OE1 3Å; R466-E492 IonicContact NH2-OE2 3.87Å; F488-E492 PolarHBondContact O-N 3.17Å; G489-E492 PolarHBondContact O-N 3.31Å |
| 493 | H | 90.4 | Very high | 91.6 | Very high | 69 Ų | 69 | 40.4 Ų | 40.4 | 32% | 0.319 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -136.8 | -1.2 | -163.8 | -58.6 | -29.8 | 0 | 0 | 0 | 117.4 | G489 L944 I952 N956 | G489-H493 WeakPolarHBondContact O-CB 3.05Å; G489-H493 PolarHBondContact O-N 2.88Å; G489-H493 VanDerWaalsContact O-N 3.15Å; H493-L944 VanDerWaalsContact CD2-CD1 3.48Å; H493-L944 WeakPolarHBondContact CD2-CD1 3.33Å; H493-I952 HydrophobicContact CB-CG2 3.87Å; H493-N956 PolarHBondContact O-ND2 3.42Å |
| 494 | S | 90.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -69.3 | 149.9 | 174.4 | -170 | 0 | 0 | 0 | 0 | 111.8 | K435 I441 F490 R496 N956 | K435-S494 WeakPolarHBondContact CE-O 3.35Å; K435-S494 PolarHBondContact NZ-O 3.06Å; I441-S494 WeakPolarHBondContact CD1-O 3.47Å; F490-S494 WeakPolarHBondContact O-CB 3.27Å; F490-S494 PolarHBondContact O-N 2.72Å; S494-R496 PolarHBondContact OG-N 2.95Å; S494-N956 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 495 | Q | 86.3 | Confident | 91.4 | Very high | 86 Ų | 86 | 36.6 Ų | 36.6 | 40% | 0.402 | 18% | 0.176 | S | C | . | . | trans | -96.2 | -6 | 170.3 | -57.5 | -54.5 | -16.9 | 0 | 0 | 113.6 | N956 Y959 | Q495-N956 HydrophobicContact CG-CB 4.15Å; Q495-N956 PolarHBondContact N-OD1 2.9Å; Q495-Y959 HydrophobicContact CB-CD1 4.12Å; Q495-Y959 HydrophobicContact CB-CE1 4.43Å; Q495-Y959 WeakPolarHBondContact O-CE1 3.33Å | ||
| 496 | R | 85.4 | Confident | 91.2 | Very high | 51 Ų | 51 | 41.2 Ų | 41.2 | 19% | 0.192 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -66.9 | 157.1 | 170.9 | -64.1 | -157.6 | 178.9 | 100.7 | 8.8 | 111.3 | S494 A498 D955 Y959 | S494-R496 PolarHBondContact OG-N 2.95Å; R496-A498 VanDerWaalsContact C-N 3.32Å; R496-A498 WeakPolarHBondContact CB-O 3.28Å; R496-D955 IonicContact CZ-OD1 3.61Å; R496-D955 IonicContact CZ-OD2 3.11Å; R496-D955 IonicContact NH1-OD1 2.84Å; R496-D955 PolarHBondContact NH1-OD1 3.26Å; R496-D955 IonicContact NH1-OD2 2.8Å; R496-D955 PolarHBondContact NH1-OD2 2.84Å; R496-D955 IonicContact NH2-OD1 2.68Å; R496-D955 PolarHBondContact NH2-OD1 3.12Å; R496-D955 IonicContact NH2-OD2 2.78Å; R496-Y959 HydrophobicContact CG-CD1 4.3Å; R496-Y959 HydrophobicContact CG-CD2 3.74Å; R496-Y959 HydrophobicContact CG-CE2 4.17Å; R496-Y959 HydrophobicContact CG-CG 3.8Å |
| 497 | P | 83.3 | Confident | 91.2 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 7% | 0.065 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -66 | -38 | 171.1 | -16.8 | 30.8 | 0 | 0 | 0 | 112 | M433 A434 G442 | M433-P497 HydrophobicContact CB-CB 4.3Å; M433-P497 HydrophobicContact CB-CG 4.08Å; M433-P497 WeakPolarHBondContact O-CG 3.39Å; A434-P497 WeakPolarHBondContact O-CB 3.28Å; G442-P497 PolarHBondContact N-O 3.44Å |
| 498 | A | 89.9 | Confident | 91.1 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 158.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G442 I444 R496 T894 | G442-A498 CarbonylContact O-C 3.56Å; G442-A498 WeakPolarHBondContact O-CA 3.03Å; G442-A498 WeakPolarHBondContact O-CB 3.43Å; I444-A498 HydrophobicContact CG1-CB 4.12Å; R496-A498 VanDerWaalsContact C-N 3.32Å; R496-A498 WeakPolarHBondContact CB-O 3.28Å; A498-T894 HydrophobicContact CB-CG2 3.85Å |
| 499 | I | 92.5 | Very high | 90.9 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 157.7 | 179.3 | 62.6 | 176.8 | 0 | 0 | 0 | 111.4 | I441 G442 L443 I444 L487 F490 L491 P501 | I441-I499 HydrophobicContact CG2-CG1 4.38Å; I441-I499 HydrophobicContact CG2-CG2 4.04Å; G442-I499 PolarHBondContact O-N 3.38Å; L443-I499 WeakPolarHBondContact CA-O 3.24Å; L443-I499 HydrophobicContact CD2-CD1 4.23Å; L443-I499 HydrophobicContact CD2-CG1 3.74Å; I444-I499 PolarHBondContact N-O 2.98Å; L487-I499 HydrophobicContact CD1-CD1 3.73Å; L487-I499 HydrophobicContact CD1-CG1 4.39Å; F490-I499 HydrophobicContact CB-CD1 3.52Å; L491-I499 HydrophobicContact CD2-CD1 3.72Å; L491-I499 HydrophobicContact CD2-CG1 4.12Å; L491-I499 HydrophobicContact CG-CD1 3.89Å; I499-P501 WeakPolarHBondContact O-CD 3.31Å |
| 500 | S | 91.5 | Very high | 90.7 | Very high | 46 Ų | 46 | 40.6 Ų | 40.6 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | trans | -82 | 124.3 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | E502 | S500-E502 PolarHBondContact O-N 2.97Å; S500-E502 VanDerWaalsContact OG-CB 3.22Å; S500-E502 WeakPolarHBondContact OG-CB 3.29Å; S500-E502 PolarHBondContact OG-N 3.26Å | ||
| 501 | P | 91.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | trans | -80.1 | 1.1 | 172.6 | 33.1 | -35.2 | 0 | 0 | 0 | 113.7 | L443 I444 L446 L456 L487 I499 N503 F504 L505 | L443-P501 HydrophobicContact CD2-CB 4.25Å; I444-P501 WeakPolarHBondContact O-CD 3.33Å; L446-P501 HydrophobicContact CD1-CG 4.05Å; L456-P501 HydrophobicContact CD1-CB 4.31Å; L487-P501 HydrophobicContact CD1-CB 4.45Å; L487-P501 HydrophobicContact CD2-CB 4.33Å; I499-P501 WeakPolarHBondContact O-CD 3.31Å; P501-N503 VanDerWaalsContact C-N 3.35Å; P501-N503 PolarHBondContact O-N 2.98Å; P501-F504 WeakPolarHBondContact O-CA 3.02Å; P501-F504 WeakPolarHBondContact O-CB 3.43Å; P501-F504 PolarHBondContact O-N 2.9Å; P501-L505 PolarHBondContact O-N 3.42Å | ||
| 502 | E | 89.9 | Confident | 90.7 | Very high | 120 Ų | 120 | 50.4 Ų | 50.4 | 56% | 0.561 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -45.8 | -48.7 | -171.5 | -176.7 | 178.1 | -175.2 | 0 | 0 | 114.7 | L446 S500 F504 L505 S506 | L446-E502 HydrophobicContact CD1-CB 3.64Å; L446-E502 HydrophobicContact CD1-CG 4.37Å; S500-E502 PolarHBondContact O-N 2.97Å; S500-E502 VanDerWaalsContact OG-CB 3.22Å; S500-E502 WeakPolarHBondContact OG-CB 3.29Å; S500-E502 PolarHBondContact OG-N 3.26Å; E502-F504 PolarHBondContact O-N 3.38Å; E502-L505 PolarHBondContact O-N 3.17Å; E502-S506 WeakPolarHBondContact O-CB 3.32Å; E502-S506 PolarHBondContact O-N 3.11Å |
| 503 | N | 90.1 | Very high | 90.7 | Very high | 121 Ų | 121 | 47.2 Ų | 47.2 | 65% | 0.647 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.8 | -25.4 | 178.7 | -78.8 | -64.2 | 0 | 0 | 0 | 114 | P501 | P501-N503 VanDerWaalsContact C-N 3.35Å; P501-N503 PolarHBondContact O-N 2.98Å |
| 504 | F | 94.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -89 | -47.7 | 173.3 | -173.1 | -99.5 | 0 | 0 | 0 | 110.9 | L456 L480 K483 L484 L487 P501 E502 S506 A507 S508 L528 | L456-F504 HydrophobicContact CD1-CD1 4.19Å; L456-F504 HydrophobicContact CD2-CD1 3.94Å; L456-F504 HydrophobicContact CD2-CE1 3.76Å; L480-F504 HydrophobicContact CD1-CD2 4.35Å; L480-F504 HydrophobicContact CD1-CE2 3.57Å; L480-F504 HydrophobicContact CD1-CZ 3.87Å; L480-F504 HydrophobicContact CG-CE2 4.02Å; L480-F504 HydrophobicContact CG-CZ 4.18Å; K483-F504 HydrophobicContact CB-CD2 3.79Å; K483-F504 HydrophobicContact CB-CE2 4.27Å; L484-F504 HydrophobicContact CB-CD2 4.17Å; L484-F504 HydrophobicContact CB-CE2 3.6Å; L484-F504 HydrophobicContact CB-CZ 4.18Å; L484-F504 HydrophobicContact CD1-CD1 4.5Å; L484-F504 HydrophobicContact CD1-CD2 4.28Å; L484-F504 HydrophobicContact CD1-CE1 4.11Å; L484-F504 HydrophobicContact CD1-CE2 3.9Å; L484-F504 HydrophobicContact CD1-CZ 3.8Å; L484-F504 HydrophobicContact CG-CE2 4.28Å; L484-F504 HydrophobicContact CG-CZ 4.44Å; L487-F504 HydrophobicContact CD2-CB 4.01Å; L487-F504 HydrophobicContact CD2-CD1 4.44Å; L487-F504 HydrophobicContact CD2-CG 4.26Å; P501-F504 WeakPolarHBondContact O-CA 3.02Å; P501-F504 WeakPolarHBondContact O-CB 3.43Å; P501-F504 PolarHBondContact O-N 2.9Å; E502-F504 PolarHBondContact O-N 3.38Å; F504-S506 PolarHBondContact O-N 3.41Å; F504-A507 CarbonylContact O-C 3.11Å; F504-A507 WeakPolarHBondContact O-CA 3.24Å; F504-A507 WeakPolarHBondContact O-CB 3.28Å; F504-A507 PolarHBondContact O-N 2.88Å; F504-S508 WeakPolarHBondContact CE1-OG 3.25Å; F504-S508 PolarHBondContact O-N 3.46Å; F504-S508 PolarHBondContact O-OG 3.35Å; F504-S508 VanDerWaalsContact O-OG 3.13Å; F504-L528 HydrophobicContact CE1-CD1 4.09Å; F504-L528 HydrophobicContact CE1-CD2 4.45Å; F504-L528 HydrophobicContact CZ-CD1 3.69Å |
| 505 | L | 91.3 | Very high | 89.9 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.9 | -41.7 | 178 | 178.3 | 65 | 0 | 0 | 0 | 112.5 | L446 T449 V452 P501 E502 A507 W509 | L446-L505 HydrophobicContact CD1-CD2 3.9Å; T449-L505 HydrophobicContact CG2-CD2 3.82Å; V452-L505 HydrophobicContact CB-CD1 4.34Å; V452-L505 HydrophobicContact CG1-CD1 4.15Å; V452-L505 HydrophobicContact CG2-CD1 3.78Å; P501-L505 PolarHBondContact O-N 3.42Å; E502-L505 PolarHBondContact O-N 3.17Å; L505-A507 VanDerWaalsContact C-N 3.34Å; L505-W509 HydrophobicContact CD1-CE3 3.88Å; L505-W509 HydrophobicContact CD1-CZ3 3.76Å; L505-W509 HydrophobicContact CD2-CZ3 4.16Å; L505-W509 HydrophobicContact CG-CE3 3.92Å; L505-W509 HydrophobicContact CG-CZ3 3.86Å; L505-W509 WeakPolarHBondContact O-CA 3.33Å; L505-W509 PolarHBondContact O-N 3.43Å |
| 506 | S | 90.8 | Very high | 89.4 | Confident | 98 Ų | 98 | 50.5 Ų | 50.5 | 69% | 0.685 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -34 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 112.9 | E502 F504 | E502-S506 WeakPolarHBondContact O-CB 3.32Å; E502-S506 PolarHBondContact O-N 3.11Å; F504-S506 PolarHBondContact O-N 3.41Å |
| 507 | A | 92.5 | Very high | 89 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 28% | 0.281 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -28.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L480 K483 F504 L505 | L480-A507 HydrophobicContact CD1-CB 3.81Å; K483-A507 HydrophobicContact CG-CB 4.27Å; F504-A507 CarbonylContact O-C 3.11Å; F504-A507 WeakPolarHBondContact O-CA 3.24Å; F504-A507 WeakPolarHBondContact O-CB 3.28Å; F504-A507 PolarHBondContact O-N 2.88Å; L505-A507 VanDerWaalsContact C-N 3.34Å |
| 508 | S | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -94.4 | 5.8 | 176.7 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | F504 T510 Y524 Y527 | F504-S508 WeakPolarHBondContact CE1-OG 3.25Å; F504-S508 PolarHBondContact O-N 3.46Å; F504-S508 PolarHBondContact O-OG 3.35Å; F504-S508 VanDerWaalsContact O-OG 3.13Å; S508-T510 PolarHBondContact O-N 2.98Å; S508-Y524 PolarHBondContact OG-OH 3.1Å; S508-Y527 WeakPolarHBondContact O-CE1 3.42Å |
| 509 | W | 91.9 | Very high | 89.1 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 25% | 0.25 | 32% | 0.317 | C | S | . | . | trans | -58.1 | 125.8 | -173.2 | -164.1 | -88.5 | 0 | 0 | 0 | 112.3 | L505 P511 F513 P515 | L505-W509 HydrophobicContact CD1-CE3 3.88Å; L505-W509 HydrophobicContact CD1-CZ3 3.76Å; L505-W509 HydrophobicContact CD2-CZ3 4.16Å; L505-W509 HydrophobicContact CG-CE3 3.92Å; L505-W509 HydrophobicContact CG-CZ3 3.86Å; L505-W509 WeakPolarHBondContact O-CA 3.33Å; L505-W509 PolarHBondContact O-N 3.43Å; W509-P511 WeakPolarHBondContact O-CD 3.41Å; W509-F513 HydrophobicContact CZ2-CB 4.19Å; W509-F513 WeakPolarHBondContact CZ2-O 3.37Å; W509-F513 PolarHBondContact NE1-O 2.92Å; W509-P515 HydrophobicContact CH2-CB 4.3Å; W509-P515 HydrophobicContact CH2-CG 4.42Å; W509-P515 HydrophobicContact CZ2-CB 4.18Å; W509-P515 HydrophobicContact CZ2-CG 3.87Å | ||
| 510 | T | 91 | Very high | 89.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | trans | -73.7 | 118.4 | 177.7 | -53.4 | 0 | 0 | 0 | 0 | 109.3 | S508 W512 F513 Y527 | S508-T510 PolarHBondContact O-N 2.98Å; T510-W512 HydrophobicContact CG2-CD2 3.74Å; T510-W512 HydrophobicContact CG2-CE3 4.18Å; T510-W512 HydrophobicContact CG2-CG 4.29Å; T510-W512 HydrophobicContact CG2-CH2 4.01Å; T510-W512 HydrophobicContact CG2-CZ2 3.53Å; T510-W512 HydrophobicContact CG2-CZ3 4.3Å; T510-W512 PolarHBondContact O-N 3.39Å; T510-F513 VanDerWaalsContact CB-CD2 3.48Å; T510-F513 HydrophobicContact CG2-CD1 3.88Å; T510-F513 HydrophobicContact CG2-CD2 4.06Å; T510-F513 HydrophobicContact CG2-CE1 3.93Å; T510-F513 HydrophobicContact CG2-CE2 4.1Å; T510-F513 HydrophobicContact CG2-CG 3.96Å; T510-F513 HydrophobicContact CG2-CZ 4.04Å; T510-F513 PolarHBondContact O-N 2.71Å; T510-Y527 HydrophobicContact CG2-CD1 4.29Å; T510-Y527 HydrophobicContact CG2-CD2 4.31Å; T510-Y527 HydrophobicContact CG2-CG 4.04Å; T510-Y527 WeakPolarHBondContact OG1-CD1 3.08Å | ||
| 511 | P | 92.4 | Very high | 89.5 | Confident | 94 Ų | 94 | 53.9 Ų | 53.9 | 61% | 0.61 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.1 | -165.4 | -29 | 35.6 | 0 | 0 | 0 | 116.5 | W509 Y527 | W509-P511 WeakPolarHBondContact O-CD 3.41Å; P511-Y527 VanDerWaalsContact CD-CZ 3.48Å; P511-Y527 WeakPolarHBondContact CD-OH 3.22Å; P511-Y527 HydrophobicContact CG-CE2 4.46Å |
| 512 | W | 92.9 | Very high | 89.6 | Confident | 153 Ų | 153 | 54 Ų | 54 | 58% | 0.58 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 3.6 | 179 | 56 | 91.8 | 0 | 0 | 0 | 113.8 | T510 E523 Y527 | T510-W512 HydrophobicContact CG2-CD2 3.74Å; T510-W512 HydrophobicContact CG2-CE3 4.18Å; T510-W512 HydrophobicContact CG2-CG 4.29Å; T510-W512 HydrophobicContact CG2-CH2 4.01Å; T510-W512 HydrophobicContact CG2-CZ2 3.53Å; T510-W512 HydrophobicContact CG2-CZ3 4.3Å; T510-W512 PolarHBondContact O-N 3.39Å; W512-E523 PolarHBondContact NE1-OE1 2.89Å; W512-Y527 AromaticContact CH2-CD2 3.72Å; W512-Y527 HydrophobicContact CH2-CD2 3.72Å; W512-Y527 HydrophobicContact CH2-CE2 4.18Å; W512-Y527 HydrophobicContact CZ2-CD2 4.43Å; W512-Y527 HydrophobicContact CZ3-CD2 4.26Å; W512-Y527 HydrophobicContact CZ3-CE2 4.26Å |
| 513 | F | 91.8 | Very high | 89.9 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 127.6 | 173.7 | -71.5 | 0.2 | 0 | 0 | 0 | 111 | Y451 W509 T510 Q519 E523 | Y451-F513 HydrophobicContact CE2-CD2 4.04Å; Y451-F513 AromaticContact CE2-CE2 3.82Å; Y451-F513 HydrophobicContact CE2-CE2 3.82Å; W509-F513 HydrophobicContact CZ2-CB 4.19Å; W509-F513 WeakPolarHBondContact CZ2-O 3.37Å; W509-F513 PolarHBondContact NE1-O 2.92Å; T510-F513 VanDerWaalsContact CB-CD2 3.48Å; T510-F513 HydrophobicContact CG2-CD1 3.88Å; T510-F513 HydrophobicContact CG2-CD2 4.06Å; T510-F513 HydrophobicContact CG2-CE1 3.93Å; T510-F513 HydrophobicContact CG2-CE2 4.1Å; T510-F513 HydrophobicContact CG2-CG 3.96Å; T510-F513 HydrophobicContact CG2-CZ 4.04Å; T510-F513 PolarHBondContact O-N 2.71Å; F513-Q519 HydrophobicContact CB-CG 4.13Å; F513-Q519 HydrophobicContact CD1-CG 4.16Å; F513-Q519 VanDerWaalsContact CD1-OE1 3.24Å; F513-Q519 HydrophobicContact CD2-CB 3.87Å; F513-Q519 HydrophobicContact CD2-CG 3.59Å; F513-Q519 HydrophobicContact CE1-CG 4.47Å; F513-Q519 VanDerWaalsContact CE1-OE1 3.28Å; F513-Q519 HydrophobicContact CE2-CB 3.68Å; F513-Q519 HydrophobicContact CE2-CG 3.94Å; F513-Q519 HydrophobicContact CG-CB 4.38Å; F513-Q519 HydrophobicContact CG-CG 3.71Å; F513-Q519 HydrophobicContact CZ-CB 4.02Å; F513-Q519 HydrophobicContact CZ-CG 4.36Å; F513-E523 HydrophobicContact CE1-CG 4.22Å; F513-E523 HydrophobicContact CZ-CB 4.17Å; F513-E523 HydrophobicContact CZ-CG 3.93Å |
| 514 | S | 85.6 | Confident | 90.2 | Very high | 72 Ų | 72 | 46.1 Ų | 46.1 | 50% | 0.503 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 127 | 176.3 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | G516 T517 | S514-G516 PolarHBondContact O-N 3.06Å; S514-T517 WeakPolarHBondContact O-CB 3.24Å; S514-T517 PolarHBondContact O-N 2.97Å; S514-T517 PolarHBondContact O-OG1 3.16Å |
| 515 | P | 79.8 | Confident | 90.4 | Very high | 106 Ų | 106 | 46.2 Ų | 46.2 | 69% | 0.688 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 137.9 | 177.7 | -29.2 | 36.6 | 0 | 0 | 0 | 113.6 | W509 T517 | W509-P515 HydrophobicContact CH2-CB 4.3Å; W509-P515 HydrophobicContact CH2-CG 4.42Å; W509-P515 HydrophobicContact CZ2-CB 4.18Å; W509-P515 HydrophobicContact CZ2-CG 3.87Å; P515-T517 PolarHBondContact O-N 3.11Å |
| 516 | G | 75.3 | Confident | 90.6 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -3.5 | -179 | 0 | 0 | 0 | 0 | 0 | 116 | N448 S514 | N448-G516 PolarHBondContact ND2-O 2.74Å; S514-G516 PolarHBondContact O-N 3.06Å |
| 517 | T | 75.7 | Confident | 90.9 | Very high | 57 Ų | 57 | 45.8 Ų | 45.8 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -85.7 | 159.5 | 173 | 64.4 | 0 | 0 | 0 | 0 | 112.3 | S514 P515 Q519 | S514-T517 WeakPolarHBondContact O-CB 3.24Å; S514-T517 PolarHBondContact O-N 2.97Å; S514-T517 PolarHBondContact O-OG1 3.16Å; P515-T517 PolarHBondContact O-N 3.11Å; T517-Q519 PolarHBondContact OG1-NE2 3.11Å |
| 518 | Q | 84.4 | Confident | 91.1 | Very high | 71 Ų | 71 | 44.1 Ų | 44.1 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | trans | -81.7 | 146.3 | 171.5 | -64 | -169.1 | -16.5 | 0 | 0 | 110.2 | N448 S858 G859 | N448-Q518 HydrophobicContact CB-CG 3.79Å; N448-Q518 VanDerWaalsContact CG-CG 3.41Å; N448-Q518 WeakPolarHBondContact OD1-CG 3.45Å; N448-Q518 PolarHBondContact OD1-NE2 2.94Å; Q518-S858 VanDerWaalsContact OE1-CA 3.22Å; Q518-G859 PolarHBondContact NE2-O 3.21Å; Q518-G859 PolarHBondContact OE1-O 3.43Å | ||
| 519 | Q | 92.5 | Very high | 91.2 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | trans | -145 | 163.7 | -168.5 | -64.8 | -64.2 | -15.6 | 0 | 0 | 112 | Y451 F513 T517 Y861 | Y451-Q519 HydrophobicContact CD1-CB 4Å; Y451-Q519 HydrophobicContact CD2-CB 4.01Å; Y451-Q519 HydrophobicContact CE1-CB 3.77Å; Y451-Q519 HydrophobicContact CE1-CG 4.09Å; Y451-Q519 HydrophobicContact CE2-CB 3.77Å; Y451-Q519 HydrophobicContact CE2-CG 4.43Å; Y451-Q519 HydrophobicContact CG-CB 4.13Å; F513-Q519 HydrophobicContact CB-CG 4.13Å; F513-Q519 HydrophobicContact CD1-CG 4.16Å; F513-Q519 VanDerWaalsContact CD1-OE1 3.24Å; F513-Q519 HydrophobicContact CD2-CB 3.87Å; F513-Q519 HydrophobicContact CD2-CG 3.59Å; F513-Q519 HydrophobicContact CE1-CG 4.47Å; F513-Q519 VanDerWaalsContact CE1-OE1 3.28Å; F513-Q519 HydrophobicContact CE2-CB 3.68Å; F513-Q519 HydrophobicContact CE2-CG 3.94Å; F513-Q519 HydrophobicContact CG-CB 4.38Å; F513-Q519 HydrophobicContact CG-CG 3.71Å; F513-Q519 HydrophobicContact CZ-CB 4.02Å; F513-Q519 HydrophobicContact CZ-CG 4.36Å; T517-Q519 PolarHBondContact OG1-NE2 3.11Å; Q519-Y861 VanDerWaalsContact O-CE2 3.31Å; Q519-Y861 WeakPolarHBondContact O-CE2 3.4Å | ||
| 520 | D | 94.9 | Very high | 91.4 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 13% | 0.134 | 25% | 0.249 | C | C | . | . | trans | -79.4 | 125.7 | 180 | -169.6 | -64.3 | 0 | 0 | 0 | 112.1 | S522 E523 Y524 R818 Y917 | D520-S522 WeakPolarHBondContact OD1-CA 3.5Å; D520-S522 WeakPolarHBondContact OD1-CB 3.48Å; D520-S522 PolarHBondContact OD1-N 3.39Å; D520-E523 HydrophobicContact CB-CB 3.93Å; D520-E523 PolarHBondContact O-N 2.63Å; D520-E523 PolarHBondContact OD1-N 3.23Å; D520-E523 VanDerWaalsContact OD1-N 3.1Å; D520-Y524 PolarHBondContact O-N 3.4Å; D520-Y524 VanDerWaalsContact O-N 3.11Å; D520-R818 IonicContact OD2-NH2 2.74Å; D520-Y917 WeakPolarHBondContact OD1-CE1 3.45Å; D520-Y917 PolarHBondContact OD1-OH 3.35Å; D520-Y917 PolarHBondContact OD2-OH 3.47Å | ||
| 521 | C | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.2 | -27.2 | -177.3 | 83.8 | 0 | 0 | 0 | 0 | 113.5 | I455 L525 Y861 | I455-C521 HydrophobicContact CD1-CB 4.26Å; I455-C521 HydrophobicContact CG1-CB 3.93Å; I455-C521 WeakPolarHBondContact CG1-O 3.45Å; C521-L525 WeakPolarHBondContact O-CB 3.49Å; C521-L525 PolarHBondContact O-N 3.44Å; C521-Y861 HydrophobicContact CB-CD1 3.97Å; C521-Y861 HydrophobicContact CB-CE1 3.76Å; C521-Y861 HydrophobicContact CB-CE2 4.44Å; C521-Y861 HydrophobicContact CB-CG 4.38Å; C521-Y861 WeakPolarHBondContact SG-CE1 3.49Å |
| 522 | S | 94.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.3 | -34.6 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | D520 L525 K526 T805 | D520-S522 WeakPolarHBondContact OD1-CA 3.5Å; D520-S522 WeakPolarHBondContact OD1-CB 3.48Å; D520-S522 PolarHBondContact OD1-N 3.39Å; S522-L525 PolarHBondContact O-N 2.96Å; S522-K526 WeakPolarHBondContact O-CB 3.46Å; S522-K526 WeakPolarHBondContact O-CD 3.29Å; S522-K526 VanDerWaalsContact O-CG 3.26Å; S522-K526 WeakPolarHBondContact O-CG 3.34Å; S522-K526 PolarHBondContact O-N 3.48Å; S522-T805 WeakPolarHBondContact OG-CG2 3.41Å; S522-T805 PolarHBondContact OG-OG1 3Å |
| 523 | E | 96 | Very high | 91.7 | Very high | 75 Ų | 75 | 38.6 Ų | 38.6 | 35% | 0.35 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.9 | -46 | 174.8 | -172.8 | 174.4 | -174.7 | 0 | 0 | 111.1 | W512 F513 D520 L525 K526 Y527 | W512-E523 PolarHBondContact NE1-OE1 2.89Å; F513-E523 HydrophobicContact CE1-CG 4.22Å; F513-E523 HydrophobicContact CZ-CB 4.17Å; F513-E523 HydrophobicContact CZ-CG 3.93Å; D520-E523 HydrophobicContact CB-CB 3.93Å; D520-E523 PolarHBondContact O-N 2.63Å; D520-E523 PolarHBondContact OD1-N 3.23Å; D520-E523 VanDerWaalsContact OD1-N 3.1Å; E523-L525 VanDerWaalsContact C-N 3.34Å; E523-L525 PolarHBondContact O-N 3.34Å; E523-K526 PolarHBondContact O-N 2.84Å; E523-Y527 PolarHBondContact O-N 3.24Å |
| 524 | Y | 97.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.6 | -44.7 | 172 | 177.1 | -107.7 | 0 | 0 | 0 | 112.4 | Y451 V452 I455 S508 D520 K526 Y527 L528 | Y451-Y524 HydrophobicContact CD2-CG 4.1Å; Y451-Y524 HydrophobicContact CE2-CD2 4.17Å; Y451-Y524 HydrophobicContact CE2-CG 4.03Å; V452-Y524 HydrophobicContact CB-CD1 4.42Å; V452-Y524 HydrophobicContact CB-CE1 4.01Å; V452-Y524 HydrophobicContact CG1-CE1 3.73Å; V452-Y524 HydrophobicContact CG2-CD1 4.02Å; V452-Y524 HydrophobicContact CG2-CD2 4.09Å; V452-Y524 HydrophobicContact CG2-CE1 3.86Å; V452-Y524 HydrophobicContact CG2-CE2 3.93Å; V452-Y524 HydrophobicContact CG2-CG 4.14Å; I455-Y524 HydrophobicContact CB-CD1 4.13Å; I455-Y524 HydrophobicContact CB-CE1 4.34Å; I455-Y524 HydrophobicContact CG1-CD1 4.34Å; I455-Y524 HydrophobicContact CG2-CD1 4.02Å; I455-Y524 HydrophobicContact CG2-CE1 4.08Å; S508-Y524 PolarHBondContact OG-OH 3.1Å; D520-Y524 PolarHBondContact O-N 3.4Å; D520-Y524 VanDerWaalsContact O-N 3.11Å; Y524-K526 VanDerWaalsContact C-N 3.35Å; Y524-K526 PolarHBondContact O-N 2.95Å; Y524-Y527 PolarHBondContact O-N 3.23Å; Y524-L528 HydrophobicContact CE1-CD2 4.03Å; Y524-L528 VanDerWaalsContact O-CB 3.27Å; Y524-L528 WeakPolarHBondContact O-CB 3.41Å; Y524-L528 PolarHBondContact O-N 3.28Å |
| 525 | L | 97.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 176.3 | 175 | 62.1 | 0 | 0 | 0 | 112.1 | I455 L459 C521 S522 E523 L528 L529 I803 V918 F920 | I455-L525 HydrophobicContact CD1-CB 3.94Å; I455-L525 HydrophobicContact CD1-CD2 4.07Å; I455-L525 HydrophobicContact CD1-CG 4.42Å; I455-L525 HydrophobicContact CG1-CB 4.34Å; I455-L525 HydrophobicContact CG2-CB 4.16Å; I455-L525 HydrophobicContact CG2-CD1 3.87Å; L459-L525 HydrophobicContact CD1-CD1 4.18Å; L459-L525 HydrophobicContact CD2-CD1 4.28Å; L459-L525 HydrophobicContact CG-CD1 4.45Å; C521-L525 WeakPolarHBondContact O-CB 3.49Å; C521-L525 PolarHBondContact O-N 3.44Å; S522-L525 PolarHBondContact O-N 2.96Å; E523-L525 VanDerWaalsContact C-N 3.34Å; E523-L525 PolarHBondContact O-N 3.34Å; L525-L528 PolarHBondContact O-N 3.24Å; L525-L529 HydrophobicContact CD1-CD1 3.89Å; L525-L529 HydrophobicContact CD1-CG 3.98Å; L525-L529 HydrophobicContact CG-CD1 4.23Å; L525-L529 WeakPolarHBondContact O-CG 3.41Å; L525-L529 PolarHBondContact O-N 3.41Å; L525-I803 HydrophobicContact CD2-CD1 4.27Å; L525-I803 HydrophobicContact CD2-CG2 3.96Å; L525-V918 HydrophobicContact CD2-CG1 4.01Å; L525-F920 HydrophobicContact CD1-CZ 4.14Å; L525-F920 HydrophobicContact CD2-CE2 4.24Å; L525-F920 HydrophobicContact CD2-CZ 3.82Å |
| 526 | K | 95.3 | Very high | 92.6 | Very high | 71 Ų | 71 | 35.2 Ų | 35.2 | 31% | 0.309 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.5 | -49.4 | 177.5 | -77.3 | 165.4 | 176.6 | 174.4 | 0 | 111.3 | S522 E523 Y524 L528 L529 D530 D595 S597 | S522-K526 WeakPolarHBondContact O-CB 3.46Å; S522-K526 WeakPolarHBondContact O-CD 3.29Å; S522-K526 VanDerWaalsContact O-CG 3.26Å; S522-K526 WeakPolarHBondContact O-CG 3.34Å; S522-K526 PolarHBondContact O-N 3.48Å; E523-K526 PolarHBondContact O-N 2.84Å; Y524-K526 VanDerWaalsContact C-N 3.35Å; Y524-K526 PolarHBondContact O-N 2.95Å; K526-L528 VanDerWaalsContact C-N 3.34Å; K526-L528 PolarHBondContact O-N 2.71Å; K526-L529 PolarHBondContact O-N 2.83Å; K526-D530 WeakPolarHBondContact O-CB 3.45Å; K526-D530 PolarHBondContact O-N 2.67Å; K526-D595 WeakPolarHBondContact CE-OD1 3.43Å; K526-D595 WeakPolarHBondContact CE-OD2 3.15Å; K526-D595 IonicContact NZ-OD1 3.18Å; K526-D595 PolarHBondContact NZ-OD1 3.43Å; K526-D595 IonicContact NZ-OD2 2.71Å; K526-D595 PolarHBondContact NZ-OD2 2.99Å; K526-S597 PolarHBondContact NZ-OG 2.88Å |
| 527 | Y | 97 | Very high | 93.3 | Very high | 32 Ų | 32 | 37.1 Ų | 37.1 | 13% | 0.125 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.2 | -44.5 | 175.8 | -178.7 | -103.7 | 0 | 0 | 0 | 112.4 | S508 T510 P511 W512 E523 Y524 R531 | S508-Y527 WeakPolarHBondContact O-CE1 3.42Å; T510-Y527 HydrophobicContact CG2-CD1 4.29Å; T510-Y527 HydrophobicContact CG2-CD2 4.31Å; T510-Y527 HydrophobicContact CG2-CG 4.04Å; T510-Y527 WeakPolarHBondContact OG1-CD1 3.08Å; P511-Y527 VanDerWaalsContact CD-CZ 3.48Å; P511-Y527 WeakPolarHBondContact CD-OH 3.22Å; P511-Y527 HydrophobicContact CG-CE2 4.46Å; W512-Y527 AromaticContact CH2-CD2 3.72Å; W512-Y527 HydrophobicContact CH2-CD2 3.72Å; W512-Y527 HydrophobicContact CH2-CE2 4.18Å; W512-Y527 HydrophobicContact CZ2-CD2 4.43Å; W512-Y527 HydrophobicContact CZ3-CD2 4.26Å; W512-Y527 HydrophobicContact CZ3-CE2 4.26Å; E523-Y527 PolarHBondContact O-N 3.24Å; Y524-Y527 PolarHBondContact O-N 3.23Å; Y527-R531 HydrophobicContact CD1-CG 4.19Å; Y527-R531 HydrophobicContact CD2-CG 4.35Å; Y527-R531 HydrophobicContact CE1-CG 3.68Å; Y527-R531 HydrophobicContact CE2-CG 3.88Å; Y527-R531 HydrophobicContact CG-CG 4.49Å; Y527-R531 VanDerWaalsContact CZ-CG 3.49Å; Y527-R531 WeakPolarHBondContact O-CB 3.45Å; Y527-R531 VanDerWaalsContact O-CG 3.28Å; Y527-R531 WeakPolarHBondContact O-CG 3.29Å; Y527-R531 PolarHBondContact O-N 3.43Å; Y527-R531 WeakPolarHBondContact OH-CD 3.37Å; Y527-R531 PolarHBondContact OH-NH1 2.86Å |
| 528 | L | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -46 | 179.8 | 174.1 | 57.4 | 0 | 0 | 0 | 112.4 | I455 L456 L459 L480 F504 Y524 L525 K526 L532 | I455-L528 HydrophobicContact CG2-CD2 4.46Å; L456-L528 HydrophobicContact CD2-CD2 4.44Å; L459-L528 HydrophobicContact CD1-CD2 3.75Å; L480-L528 HydrophobicContact CD2-CD1 4.09Å; F504-L528 HydrophobicContact CE1-CD1 4.09Å; F504-L528 HydrophobicContact CE1-CD2 4.45Å; F504-L528 HydrophobicContact CZ-CD1 3.69Å; Y524-L528 HydrophobicContact CE1-CD2 4.03Å; Y524-L528 VanDerWaalsContact O-CB 3.27Å; Y524-L528 WeakPolarHBondContact O-CB 3.41Å; Y524-L528 PolarHBondContact O-N 3.28Å; L525-L528 PolarHBondContact O-N 3.24Å; K526-L528 VanDerWaalsContact C-N 3.34Å; K526-L528 PolarHBondContact O-N 2.71Å; L528-L532 HydrophobicContact CD1-CD1 3.82Å; L528-L532 HydrophobicContact CD1-CG 4.09Å; L528-L532 HydrophobicContact CG-CD1 4.16Å; L528-L532 WeakPolarHBondContact O-CB 3.37Å; L528-L532 VanDerWaalsContact O-CG 3.29Å; L528-L532 WeakPolarHBondContact O-CG 3.17Å; L528-L532 PolarHBondContact O-N 3.45Å |
| 529 | L | 96.3 | Very high | 94 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.1 | -38.5 | 178.7 | -69.5 | -179 | 0 | 0 | 0 | 112.1 | L525 K526 L532 H533 V566 F570 I803 | L525-L529 HydrophobicContact CD1-CD1 3.89Å; L525-L529 HydrophobicContact CD1-CG 3.98Å; L525-L529 HydrophobicContact CG-CD1 4.23Å; L525-L529 WeakPolarHBondContact O-CG 3.41Å; L525-L529 PolarHBondContact O-N 3.41Å; K526-L529 PolarHBondContact O-N 2.83Å; L529-L532 PolarHBondContact O-N 2.84Å; L529-H533 WeakPolarHBondContact O-CB 3.5Å; L529-H533 PolarHBondContact O-N 2.91Å; L529-V566 HydrophobicContact CB-CG1 4.14Å; L529-V566 HydrophobicContact CD2-CG1 4.32Å; L529-F570 HydrophobicContact CD1-CD2 4.27Å; L529-F570 HydrophobicContact CD1-CG 4.31Å; L529-F570 HydrophobicContact CD2-CD2 3.72Å; L529-F570 HydrophobicContact CD2-CE2 3.73Å; L529-I803 HydrophobicContact CD1-CD1 3.79Å |
| 530 | D | 95.4 | Very high | 93.8 | Very high | 90 Ų | 90 | 34.9 Ų | 34.9 | 48% | 0.481 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.8 | -48.3 | 174.8 | -176 | 70.4 | 0 | 0 | 0 | 111.7 | K526 L532 H533 E534 | K526-D530 WeakPolarHBondContact O-CB 3.45Å; K526-D530 PolarHBondContact O-N 2.67Å; D530-L532 VanDerWaalsContact C-N 3.32Å; D530-L532 PolarHBondContact O-N 3.48Å; D530-H533 WeakPolarHBondContact O-CB 3.29Å; D530-H533 PolarHBondContact O-N 3.43Å; D530-H533 VanDerWaalsContact O-N 3.09Å; D530-E534 PolarHBondContact O-N 3.06Å |
| 531 | R | 95.4 | Very high | 93.4 | Very high | 79 Ų | 79 | 41.2 Ų | 41.2 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56 | -42.9 | 175.2 | -80 | -68.6 | -55.7 | -76.2 | -8.4 | 113.1 | L480 Y527 E535 | L480-R531 HydrophobicContact CD2-CB 3.75Å; Y527-R531 HydrophobicContact CD1-CG 4.19Å; Y527-R531 HydrophobicContact CD2-CG 4.35Å; Y527-R531 HydrophobicContact CE1-CG 3.68Å; Y527-R531 HydrophobicContact CE2-CG 3.88Å; Y527-R531 HydrophobicContact CG-CG 4.49Å; Y527-R531 VanDerWaalsContact CZ-CG 3.49Å; Y527-R531 WeakPolarHBondContact O-CB 3.45Å; Y527-R531 VanDerWaalsContact O-CG 3.28Å; Y527-R531 WeakPolarHBondContact O-CG 3.29Å; Y527-R531 PolarHBondContact O-N 3.43Å; Y527-R531 WeakPolarHBondContact OH-CD 3.37Å; Y527-R531 PolarHBondContact OH-NH1 2.86Å; R531-E535 WeakPolarHBondContact O-CG 3.28Å; R531-E535 PolarHBondContact O-N 2.92Å |
| 532 | L | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.3 | -33.4 | 177.2 | -70.1 | 172.6 | 0 | 0 | 0 | 112.5 | F465 L480 M481 L484 L528 L529 D530 V566 | F465-L532 HydrophobicContact CZ-CD1 4.21Å; L480-L532 HydrophobicContact CB-CD2 4.07Å; L480-L532 HydrophobicContact CD2-CD2 4.07Å; L480-L532 HydrophobicContact CD2-CG 4.29Å; L480-L532 HydrophobicContact CG-CD2 3.95Å; M481-L532 HydrophobicContact CB-CD2 4Å; M481-L532 HydrophobicContact CE-CB 4.38Å; M481-L532 HydrophobicContact CE-CD2 4.17Å; M481-L532 HydrophobicContact SD-CD2 3.95Å; L484-L532 HydrophobicContact CD2-CD1 4.12Å; L528-L532 HydrophobicContact CD1-CD1 3.82Å; L528-L532 HydrophobicContact CD1-CG 4.09Å; L528-L532 HydrophobicContact CG-CD1 4.16Å; L528-L532 WeakPolarHBondContact O-CB 3.37Å; L528-L532 VanDerWaalsContact O-CG 3.29Å; L528-L532 WeakPolarHBondContact O-CG 3.17Å; L528-L532 PolarHBondContact O-N 3.45Å; L529-L532 PolarHBondContact O-N 2.84Å; D530-L532 VanDerWaalsContact C-N 3.32Å; D530-L532 PolarHBondContact O-N 3.48Å; L532-V566 HydrophobicContact CB-CG2 3.75Å |
| 533 | H | 93.4 | Very high | 92.3 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 12% | 0.12 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.9 | -52.5 | 174.8 | 171.2 | 72.5 | 0 | 0 | 0 | 111.4 | L529 D530 E535 E536 K537 T564 V566 E567 | L529-H533 WeakPolarHBondContact O-CB 3.5Å; L529-H533 PolarHBondContact O-N 2.91Å; D530-H533 WeakPolarHBondContact O-CB 3.29Å; D530-H533 PolarHBondContact O-N 3.43Å; D530-H533 VanDerWaalsContact O-N 3.09Å; H533-E535 PolarHBondContact O-N 2.88Å; H533-E536 PolarHBondContact O-N 3.32Å; H533-K537 WeakPolarHBondContact NE2-CD 3.23Å; H533-K537 PolarHBondContact NE2-NZ 3.14Å; H533-K537 WeakPolarHBondContact O-CB 3.29Å; H533-K537 PolarHBondContact O-N 2.74Å; H533-T564 WeakPolarHBondContact ND1-CG2 3.38Å; H533-T564 PolarHBondContact ND1-OG1 2.88Å; H533-V566 HydrophobicContact CB-CB 4.02Å; H533-V566 HydrophobicContact CB-CG1 4.19Å; H533-V566 HydrophobicContact CB-CG2 4.24Å; H533-E567 VanDerWaalsContact CE1-CD 3.42Å; H533-E567 IonicContact CE1-OE1 3.31Å; H533-E567 PolarHBondContact CE1-OE1 3.34Å; H533-E567 IonicContact CE1-OE2 2.76Å |
| 534 | E | 93.1 | Very high | 91.7 | Very high | 70 Ų | 70 | 47.8 Ų | 47.8 | 33% | 0.327 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -70 | -29 | -174.7 | -76 | -60.2 | 156.5 | 0 | 0 | 113.5 | D530 K537 T538 | D530-E534 PolarHBondContact O-N 3.06Å; E534-K537 WeakPolarHBondContact OE1-CE 3.36Å; E534-K537 IonicContact OE1-NZ 2.72Å; E534-K537 PolarHBondContact OE1-NZ 3.45Å; E534-K537 IonicContact OE2-NZ 2.65Å; E534-T538 WeakPolarHBondContact O-CB 3.38Å; E534-T538 PolarHBondContact O-N 3.44Å; E534-T538 PolarHBondContact O-OG1 3.36Å |
| 535 | E | 92.1 | Very high | 91.1 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.7 | -44.5 | 173.6 | 75 | 174.6 | -161.1 | 0 | 0 | 112.5 | Q478 P479 L480 M481 R531 H533 K537 G539 | Q478-E535 WeakPolarHBondContact CA-OE1 3.21Å; Q478-E535 HydrophobicContact CB-CG 4.22Å; Q478-E535 WeakPolarHBondContact CB-OE1 3.02Å; Q478-E535 HydrophobicContact CG-CG 4.38Å; P479-E535 VanDerWaalsContact CD-OE2 3.26Å; P479-E535 WeakPolarHBondContact CD-OE2 3.48Å; P479-E535 WeakPolarHBondContact CG-OE2 3.39Å; L480-E535 WeakPolarHBondContact CB-OE1 3.45Å; L480-E535 VanDerWaalsContact CB-OE2 3.25Å; L480-E535 WeakPolarHBondContact CB-OE2 3.04Å; L480-E535 PolarHBondContact N-OE1 3.1Å; L480-E535 VanDerWaalsContact N-OE1 3.1Å; L480-E535 PolarHBondContact N-OE2 3.25Å; M481-E535 PolarHBondContact N-OE1 2.83Å; R531-E535 WeakPolarHBondContact O-CG 3.28Å; R531-E535 PolarHBondContact O-N 2.92Å; H533-E535 PolarHBondContact O-N 2.88Å; E535-K537 PolarHBondContact O-N 2.98Å; E535-G539 PolarHBondContact O-N 3.32Å |
| 536 | E | 91.2 | Very high | 90.5 | Very high | 19 Ų | 19 | 58.2 Ų | 58.2 | 9% | 0.089 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 176.4 | -179.2 | 175 | 165.9 | 0 | 0 | 111.3 | Q478 H533 T540 T564 S565 | Q478-E536 HydrophobicContact CG-CB 4.14Å; H533-E536 PolarHBondContact O-N 3.32Å; E536-T540 WeakPolarHBondContact O-CB 3.26Å; E536-T540 PolarHBondContact O-N 2.99Å; E536-T540 PolarHBondContact O-OG1 3.48Å; E536-T564 HydrophobicContact CB-CG2 4.18Å; E536-T564 HydrophobicContact CG-CG2 4.14Å; E536-T564 WeakPolarHBondContact OE1-CA 3.42Å; E536-S565 VanDerWaalsContact CD-N 3.29Å; E536-S565 PolarHBondContact OE1-N 3.35Å; E536-S565 VanDerWaalsContact OE1-N 3.16Å; E536-S565 PolarHBondContact OE1-OG 2.91Å; E536-S565 WeakPolarHBondContact OE2-CB 3.39Å; E536-S565 PolarHBondContact OE2-N 3.47Å; E536-S565 PolarHBondContact OE2-OG 3.24Å |
| 537 | K | 90.5 | Very high | 89.8 | Confident | 86 Ų | 86 | 62.4 Ų | 62.4 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.8 | -47.2 | 178.1 | 179.2 | 170 | 169.5 | -170 | 0 | 112.2 | H533 E534 E535 R541 T564 | H533-K537 WeakPolarHBondContact NE2-CD 3.23Å; H533-K537 PolarHBondContact NE2-NZ 3.14Å; H533-K537 WeakPolarHBondContact O-CB 3.29Å; H533-K537 PolarHBondContact O-N 2.74Å; E534-K537 WeakPolarHBondContact OE1-CE 3.36Å; E534-K537 IonicContact OE1-NZ 2.72Å; E534-K537 PolarHBondContact OE1-NZ 3.45Å; E534-K537 IonicContact OE2-NZ 2.65Å; E535-K537 PolarHBondContact O-N 2.98Å; K537-R541 WeakPolarHBondContact O-CB 3.44Å; K537-R541 PolarHBondContact O-N 3.37Å; K537-T564 HydrophobicContact CB-CG2 3.91Å |
| 538 | T | 89.3 | Confident | 88.9 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.7 | -46.4 | 178.5 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | E534 T540 R541 I542 | E534-T538 WeakPolarHBondContact O-CB 3.38Å; E534-T538 PolarHBondContact O-N 3.44Å; E534-T538 PolarHBondContact O-OG1 3.36Å; T538-T540 PolarHBondContact O-N 3.42Å; T538-R541 PolarHBondContact O-N 3.11Å; T538-I542 HydrophobicContact CG2-CD1 3.77Å; T538-I542 HydrophobicContact CG2-CG1 4.43Å; T538-I542 VanDerWaalsContact O-CG1 3.31Å; T538-I542 WeakPolarHBondContact O-CG1 3.5Å; T538-I542 PolarHBondContact O-N 3.48Å |
| 539 | G | 86.1 | Confident | 87.9 | Confident | 9 Ų | 9 | 69.7 Ų | 69.7 | 9% | 0.093 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.8 | -48.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E535 I542 C543 | E535-G539 PolarHBondContact O-N 3.32Å; G539-I542 PolarHBondContact O-N 3.03Å; G539-C543 PolarHBondContact O-N 2.89Å; G539-C543 PolarHBondContact O-SG 3.38Å; G539-C543 VanDerWaalsContact O-SG 3.36Å |
| 540 | T | 86.6 | Confident | 86.8 | Confident | 45 Ų | 45 | 74.3 Ų | 74.3 | 28% | 0.276 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 176.5 | -60 | 0 | 0 | 0 | 0 | 111.9 | E536 T538 I542 C543 Q544 | E536-T540 WeakPolarHBondContact O-CB 3.26Å; E536-T540 PolarHBondContact O-N 2.99Å; E536-T540 PolarHBondContact O-OG1 3.48Å; T538-T540 PolarHBondContact O-N 3.42Å; T540-I542 VanDerWaalsContact C-N 3.35Å; T540-I542 PolarHBondContact O-N 3.33Å; T540-C543 PolarHBondContact O-N 3.47Å; T540-Q544 HydrophobicContact CG2-CG 4.44Å; T540-Q544 WeakPolarHBondContact O-CB 3.46Å; T540-Q544 WeakPolarHBondContact O-CG 3.01Å; T540-Q544 PolarHBondContact O-N 3.15Å |
| 541 | R | 86.9 | Confident | 85 | Confident | 159 Ų | 159 | 72.6 Ų | 72.6 | 60% | 0.6 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.7 | -38.1 | 179.2 | -170.7 | -178.7 | -169.8 | -164.3 | 5 | 112.4 | K537 T538 K545 | K537-R541 WeakPolarHBondContact O-CB 3.44Å; K537-R541 PolarHBondContact O-N 3.37Å; T538-R541 PolarHBondContact O-N 3.11Å; R541-K545 WeakPolarHBondContact O-CB 3.25Å; R541-K545 WeakPolarHBondContact O-CG 3.41Å; R541-K545 PolarHBondContact O-N 3.09Å |
| 542 | I | 85.4 | Confident | 83.1 | Confident | 89 Ų | 89 | 75.9 Ų | 75.9 | 46% | 0.456 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.8 | -49.6 | 174.7 | -70 | 167 | 0 | 0 | 0 | 109.9 | T538 G539 T540 Q544 K545 L546 | T538-I542 HydrophobicContact CG2-CD1 3.77Å; T538-I542 HydrophobicContact CG2-CG1 4.43Å; T538-I542 VanDerWaalsContact O-CG1 3.31Å; T538-I542 WeakPolarHBondContact O-CG1 3.5Å; T538-I542 PolarHBondContact O-N 3.48Å; G539-I542 PolarHBondContact O-N 3.03Å; T540-I542 VanDerWaalsContact C-N 3.35Å; T540-I542 PolarHBondContact O-N 3.33Å; I542-Q544 VanDerWaalsContact C-N 3.31Å; I542-Q544 PolarHBondContact O-N 3.36Å; I542-K545 PolarHBondContact O-N 3.29Å; I542-L546 HydrophobicContact CG2-CD1 3.76Å; I542-L546 HydrophobicContact CG2-CG 4.31Å; I542-L546 WeakPolarHBondContact O-CB 3.1Å; I542-L546 WeakPolarHBondContact O-CG 3.25Å; I542-L546 PolarHBondContact O-N 3.26Å |
| 543 | C | 82.3 | Confident | 81.3 | Confident | 60 Ų | 60 | 79.8 Ų | 79.8 | 41% | 0.405 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 177.9 | -68.9 | 0 | 0 | 0 | 0 | 113.1 | G539 T540 K547 | G539-C543 PolarHBondContact O-N 2.89Å; G539-C543 PolarHBondContact O-SG 3.38Å; G539-C543 VanDerWaalsContact O-SG 3.36Å; T540-C543 PolarHBondContact O-N 3.47Å; C543-K547 VanDerWaalsContact O-CG 3.27Å; C543-K547 WeakPolarHBondContact O-CG 3.37Å; C543-K547 PolarHBondContact O-N 2.96Å |
| 544 | Q | 83.4 | Confident | 79.3 | Confident | 66 Ų | 66 | 86.7 Ų | 86.7 | 31% | 0.308 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.5 | -49.4 | 174.2 | -74.2 | 174.5 | -5.9 | 0 | 0 | 111.8 | T540 I542 L546 K547 Q548 | T540-Q544 HydrophobicContact CG2-CG 4.44Å; T540-Q544 WeakPolarHBondContact O-CB 3.46Å; T540-Q544 WeakPolarHBondContact O-CG 3.01Å; T540-Q544 PolarHBondContact O-N 3.15Å; I542-Q544 VanDerWaalsContact C-N 3.31Å; I542-Q544 PolarHBondContact O-N 3.36Å; Q544-L546 PolarHBondContact O-N 2.98Å; Q544-K547 PolarHBondContact O-N 3.36Å; Q544-Q548 WeakPolarHBondContact O-CG 3.4Å; Q544-Q548 PolarHBondContact O-N 2.87Å |
| 545 | K | 85.5 | Confident | 77.3 | Confident | 122 Ų | 122 | 87.7 Ų | 87.7 | 53% | 0.53 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 177.9 | -80.4 | -175.3 | 169.9 | -168.6 | 0 | 112.7 | R541 I542 K547 Q548 S549 | R541-K545 WeakPolarHBondContact O-CB 3.25Å; R541-K545 WeakPolarHBondContact O-CG 3.41Å; R541-K545 PolarHBondContact O-N 3.09Å; I542-K545 PolarHBondContact O-N 3.29Å; K545-K547 PolarHBondContact O-N 3.37Å; K545-Q548 PolarHBondContact O-N 2.94Å; K545-S549 WeakPolarHBondContact O-CB 3.39Å; K545-S549 PolarHBondContact O-N 3.33Å; K545-S549 PolarHBondContact O-OG 2.96Å |
| 546 | L | 83.6 | Confident | 75.2 | Confident | 104 Ų | 104 | 95.7 Ų | 95.7 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 178.1 | -72.7 | 171.9 | 0 | 0 | 0 | 111.4 | I542 Q544 S549 S550 | I542-L546 HydrophobicContact CG2-CD1 3.76Å; I542-L546 HydrophobicContact CG2-CG 4.31Å; I542-L546 WeakPolarHBondContact O-CB 3.1Å; I542-L546 WeakPolarHBondContact O-CG 3.25Å; I542-L546 PolarHBondContact O-N 3.26Å; Q544-L546 PolarHBondContact O-N 2.98Å; L546-S549 WeakPolarHBondContact CA-OG 3.17Å; L546-S549 PolarHBondContact O-N 2.8Å; L546-S549 PolarHBondContact O-OG 3.2Å; L546-S550 PolarHBondContact O-N 3.39Å; L546-S550 PolarHBondContact O-OG 2.99Å |
| 547 | K | 80.9 | Confident | 73.2 | Confident | 158 Ų | 158 | 103 Ų | 103 | 69% | 0.687 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.5 | -47.4 | 174.5 | -73.6 | 172.7 | -178.3 | -177.9 | 0 | 111.8 | C543 Q544 K545 S549 S550 | C543-K547 VanDerWaalsContact O-CG 3.27Å; C543-K547 WeakPolarHBondContact O-CG 3.37Å; C543-K547 PolarHBondContact O-N 2.96Å; Q544-K547 PolarHBondContact O-N 3.36Å; K545-K547 PolarHBondContact O-N 3.37Å; K547-S549 VanDerWaalsContact C-N 3.34Å; K547-S549 PolarHBondContact O-N 3.47Å; K547-S550 PolarHBondContact O-N 3.46Å; K547-S550 VanDerWaalsContact O-N 3.09Å |
| 548 | Q | 77.6 | Confident | 71.3 | Confident | 93 Ų | 93 | 104.4 Ų | 104.4 | 44% | 0.435 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.5 | -39.5 | 176.5 | -72.8 | 171.3 | -16.6 | 0 | 0 | 112.7 | Q544 K545 S550 S551 | Q544-Q548 WeakPolarHBondContact O-CG 3.4Å; Q544-Q548 PolarHBondContact O-N 2.87Å; K545-Q548 PolarHBondContact O-N 2.94Å; Q548-S550 PolarHBondContact O-N 3.25Å; Q548-S551 PolarHBondContact O-N 3.25Å; Q548-S551 PolarHBondContact O-OG 2.84Å; Q548-S551 VanDerWaalsContact O-OG 3.09Å |
| 549 | S | 76.3 | Confident | 69.5 | Low | 93 Ų | 93 | 104.8 Ų | 104.8 | 65% | 0.65 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.2 | -11.6 | 176.7 | 68.1 | 0 | 0 | 0 | 0 | 114.4 | K545 L546 K547 | K545-S549 WeakPolarHBondContact O-CB 3.39Å; K545-S549 PolarHBondContact O-N 3.33Å; K545-S549 PolarHBondContact O-OG 2.96Å; L546-S549 WeakPolarHBondContact CA-OG 3.17Å; L546-S549 PolarHBondContact O-N 2.8Å; L546-S549 PolarHBondContact O-OG 3.2Å; K547-S549 VanDerWaalsContact C-N 3.34Å; K547-S549 PolarHBondContact O-N 3.47Å |
| 550 | S | 73.4 | Confident | 67.9 | Low | 99 Ų | 99 | 108.4 Ų | 108.4 | 69% | 0.692 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -0.8 | -177.4 | -55.1 | 0 | 0 | 0 | 0 | 113.7 | L546 K547 Q548 | L546-S550 PolarHBondContact O-N 3.39Å; L546-S550 PolarHBondContact O-OG 2.99Å; K547-S550 PolarHBondContact O-N 3.46Å; K547-S550 VanDerWaalsContact O-N 3.09Å; Q548-S550 PolarHBondContact O-N 3.25Å |
| 551 | S | 57.5 | Low | 66.5 | Low | 55 Ų | 55 | 112.3 Ų | 112.3 | 39% | 0.385 | 63% | 0.628 | S | S | . | * | trans | -113.8 | 121.5 | -176.9 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | Q548 S553 | Q548-S551 PolarHBondContact O-N 3.25Å; Q548-S551 PolarHBondContact O-OG 2.84Å; Q548-S551 VanDerWaalsContact O-OG 3.09Å; S551-S553 PolarHBondContact O-N 3.22Å; S551-S553 VanDerWaalsContact O-N 3.17Å | ||
| 552 | P | 55.3 | Low | 65.8 | Low | 147 Ų | 147 | 108.1 Ų | 108.1 | 96% | 0.955 | 62% | 0.623 | S | S | * | * | trans | -72.7 | 0.3 | -178 | -21 | 33.8 | 0 | 0 | 0 | 116.9 | ||||
| 553 | S | 57.7 | Low | 65.8 | Low | 83 Ų | 83 | 106.4 Ų | 106.4 | 58% | 0.58 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -107.7 | 138.4 | -172.6 | 53.3 | 0 | 0 | 0 | 0 | 112.5 | S551 | S551-S553 PolarHBondContact O-N 3.22Å; S551-S553 VanDerWaalsContact O-N 3.17Å |
| 554 | L | 50.4 | Low | 66.2 | Low | 170 Ų | 170 | 103.8 Ų | 103.8 | 89% | 0.89 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -55 | 129.3 | 169.1 | -74.4 | 163.3 | 0 | 0 | 0 | 110.7 | E556 | L554-E556 PolarHBondContact O-N 3.37Š|
| 555 | P | 50.8 | Low | 66.6 | Low | 91 Ų | 91 | 101.6 Ų | 101.6 | 59% | 0.591 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 122.2 | 168.9 | -15.5 | 30.5 | 0 | 0 | 0 | 110.6 | ||
| 556 | E | 47.9 | Very low | 67 | Low | 194 Ų | 194 | 96 Ų | 96 | 91% | 0.907 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -76.1 | 129.8 | 154 | -70.8 | -173.9 | 126 | 0 | 0 | 108.2 | L554 | L554-E556 PolarHBondContact O-N 3.37Š|
| 557 | E | 50.9 | Low | 67.4 | Low | 173 Ų | 173 | 94.9 Ų | 94.9 | 81% | 0.808 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 61.3 | 139.7 | -169.7 | -57.6 | -159.9 | 133.7 | 0 | 0 | 117.2 | ||
| 558 | P | 49.7 | Very low | 68 | Low | 115 Ų | 115 | 92.2 Ų | 92.2 | 75% | 0.747 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 137.2 | 169.2 | 30.9 | -32.9 | 0 | 0 | 0 | 110 | A560 | P558-A560 PolarHBondContact O-N 2.85Š|
| 559 | P | 51.7 | Low | 68.8 | Low | 76 Ų | 76 | 88.3 Ų | 88.3 | 49% | 0.494 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 128 | 177.6 | 26.1 | -33.9 | 0 | 0 | 0 | 110.4 | ||
| 560 | A | 52.1 | Low | 69.7 | Low | 84 Ų | 84 | 83.9 Ų | 83.9 | 69% | 0.694 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 137.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P558 S562 | P558-A560 PolarHBondContact O-N 2.85Å; A560-S562 PolarHBondContact O-N 3.37Å |
| 561 | P | 58.1 | Low | 70.7 | Confident | 127 Ų | 127 | 80 Ų | 80 | 83% | 0.825 | 48% | 0.476 | S | S | * | . | trans | -65.6 | 110.9 | -178.8 | 26.2 | -33.6 | 0 | 0 | 0 | 110.3 | S563 | P561-S563 PolarHBondContact O-N 2.71Š| ||
| 562 | S | 71.8 | Confident | 72.5 | Confident | 72 Ų | 72 | 77.5 Ų | 77.5 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | trans | -71.6 | 109.8 | 171.4 | 53.8 | 0 | 0 | 0 | 0 | 109.2 | A560 | A560-S562 PolarHBondContact O-N 3.37Š| ||
| 563 | S | 84.8 | Confident | 74.4 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | trans | -62.3 | 153.7 | 178.8 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | P561 E567 K568 | P561-S563 PolarHBondContact O-N 2.71Å; S563-E567 WeakPolarHBondContact CA-OE2 3.28Å; S563-E567 VanDerWaalsContact CB-OE2 3.25Å; S563-E567 WeakPolarHBondContact CB-OE2 3.24Å; S563-K568 WeakPolarHBondContact O-CE 3.37Å; S563-K568 PolarHBondContact O-NZ 3.29Å; S563-K568 WeakPolarHBondContact OG-CE 3.44Å | ||
| 564 | T | 91.7 | Very high | 76.2 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | trans | -79.9 | 167.8 | 179.4 | 80.9 | 0 | 0 | 0 | 0 | 112.3 | H533 E536 K537 V566 E567 K568 | H533-T564 WeakPolarHBondContact ND1-CG2 3.38Å; H533-T564 PolarHBondContact ND1-OG1 2.88Å; E536-T564 HydrophobicContact CB-CG2 4.18Å; E536-T564 HydrophobicContact CG-CG2 4.14Å; E536-T564 WeakPolarHBondContact OE1-CA 3.42Å; K537-T564 HydrophobicContact CB-CG2 3.91Å; T564-V566 VanDerWaalsContact C-N 3.25Å; T564-V566 PolarHBondContact O-N 2.87Å; T564-V566 PolarHBondContact OG1-N 3.41Å; T564-E567 PolarHBondContact N-OE2 3.33Å; T564-E567 PolarHBondContact O-N 3.41Å; T564-E567 PolarHBondContact OG1-N 3.41Å; T564-K568 WeakPolarHBondContact O-CB 3.12Å; T564-K568 WeakPolarHBondContact O-CD 3.49Å; T564-K568 VanDerWaalsContact O-CG 3.22Å; T564-K568 WeakPolarHBondContact O-CG 3.44Å; T564-K568 PolarHBondContact O-N 2.64Å | ||
| 565 | S | 90.6 | Very high | 78.3 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.2 | -39.7 | 172.6 | -51.9 | 0 | 0 | 0 | 0 | 111.7 | E536 K568 M569 | E536-S565 VanDerWaalsContact CD-N 3.29Å; E536-S565 PolarHBondContact OE1-N 3.35Å; E536-S565 VanDerWaalsContact OE1-N 3.16Å; E536-S565 PolarHBondContact OE1-OG 2.91Å; E536-S565 WeakPolarHBondContact OE2-CB 3.39Å; E536-S565 PolarHBondContact OE2-N 3.47Å; E536-S565 PolarHBondContact OE2-OG 3.24Å; S565-K568 PolarHBondContact O-N 3.04Å; S565-M569 WeakPolarHBondContact O-CB 3.49Å; S565-M569 VanDerWaalsContact O-CG 3.23Å; S565-M569 WeakPolarHBondContact O-CG 3.19Å; S565-M569 PolarHBondContact O-N 3.2Å; S565-M569 VanDerWaalsContact O-N 3.09Å |
| 566 | V | 93.6 | Very high | 80.4 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | L529 L532 H533 T564 K568 M569 F570 G571 T594 | L529-V566 HydrophobicContact CB-CG1 4.14Å; L529-V566 HydrophobicContact CD2-CG1 4.32Å; L532-V566 HydrophobicContact CB-CG2 3.75Å; H533-V566 HydrophobicContact CB-CB 4.02Å; H533-V566 HydrophobicContact CB-CG1 4.19Å; H533-V566 HydrophobicContact CB-CG2 4.24Å; T564-V566 VanDerWaalsContact C-N 3.25Å; T564-V566 PolarHBondContact O-N 2.87Å; T564-V566 PolarHBondContact OG1-N 3.41Å; V566-K568 PolarHBondContact O-N 3.18Å; V566-M569 PolarHBondContact O-N 2.9Å; V566-F570 HydrophobicContact CG1-CD2 4.33Å; V566-F570 PolarHBondContact O-N 3.16Å; V566-G571 PolarHBondContact O-N 3.2Å; V566-T594 HydrophobicContact CG1-CG2 4.38Å |
| 567 | E | 93.3 | Very high | 82.7 | Confident | 82 Ų | 82 | 55 Ų | 55 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 176.8 | -70 | 176 | 135 | 0 | 0 | 112.2 | H533 S563 T564 M569 G571 | H533-E567 VanDerWaalsContact CE1-CD 3.42Å; H533-E567 IonicContact CE1-OE1 3.31Å; H533-E567 PolarHBondContact CE1-OE1 3.34Å; H533-E567 IonicContact CE1-OE2 2.76Å; S563-E567 WeakPolarHBondContact CA-OE2 3.28Å; S563-E567 VanDerWaalsContact CB-OE2 3.25Å; S563-E567 WeakPolarHBondContact CB-OE2 3.24Å; T564-E567 PolarHBondContact N-OE2 3.33Å; T564-E567 PolarHBondContact O-N 3.41Å; T564-E567 PolarHBondContact OG1-N 3.41Å; E567-M569 VanDerWaalsContact C-N 3.31Å; E567-M569 PolarHBondContact O-N 2.89Å; E567-G571 VanDerWaalsContact O-CA 3.28Å; E567-G571 WeakPolarHBondContact O-CA 3.37Å; E567-G571 PolarHBondContact O-N 2.94Å |
| 568 | K | 92.9 | Very high | 84.8 | Confident | 101 Ų | 101 | 48.3 Ų | 48.3 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.7 | -27.8 | 178.6 | -69.1 | 161.9 | -169.9 | 144.8 | 0 | 113.6 | S563 T564 S565 V566 R800 | S563-K568 WeakPolarHBondContact O-CE 3.37Å; S563-K568 PolarHBondContact O-NZ 3.29Å; S563-K568 WeakPolarHBondContact OG-CE 3.44Å; T564-K568 WeakPolarHBondContact O-CB 3.12Å; T564-K568 WeakPolarHBondContact O-CD 3.49Å; T564-K568 VanDerWaalsContact O-CG 3.22Å; T564-K568 WeakPolarHBondContact O-CG 3.44Å; T564-K568 PolarHBondContact O-N 2.64Å; S565-K568 PolarHBondContact O-N 3.04Å; V566-K568 PolarHBondContact O-N 3.18Å; K568-R800 WeakPolarHBondContact O-CB 3.48Å |
| 569 | M | 94.1 | Very high | 87 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 5% | 0.054 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -97.5 | -46.8 | -176.5 | -65.8 | -60.9 | 118.4 | 0 | 0 | 112.4 | D464 F465 S565 V566 E567 R800 Y801 | D464-M569 HydrophobicContact CB-SD 3.8Å; F465-M569 HydrophobicContact CB-CG 4.33Å; F465-M569 HydrophobicContact CD2-CG 4.18Å; S565-M569 WeakPolarHBondContact O-CB 3.49Å; S565-M569 VanDerWaalsContact O-CG 3.23Å; S565-M569 WeakPolarHBondContact O-CG 3.19Å; S565-M569 PolarHBondContact O-N 3.2Å; S565-M569 VanDerWaalsContact O-N 3.09Å; V566-M569 PolarHBondContact O-N 2.9Å; E567-M569 VanDerWaalsContact C-N 3.31Å; E567-M569 PolarHBondContact O-N 2.89Å; M569-R800 CarbonylContact O-C 3.52Å; M569-R800 WeakPolarHBondContact O-CB 3.34Å; M569-R800 PolarHBondContact O-N 3.33Å; M569-Y801 HydrophobicContact CB-CD2 4.39Å; M569-Y801 PolarHBondContact O-N 3.01Å; M569-Y801 HydrophobicContact SD-CE2 4.27Å |
| 570 | F | 96.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -118.9 | -12.3 | -170.7 | -51.2 | -71 | 0 | 0 | 0 | 113.6 | L459 F465 L529 V566 G572 T594 P799 Y801 I803 F920 | L459-F570 HydrophobicContact CD2-CE1 4.33Å; L459-F570 HydrophobicContact CD2-CE2 4.29Å; L459-F570 HydrophobicContact CD2-CZ 3.69Å; F465-F570 HydrophobicContact CB-CZ 4.1Å; F465-F570 HydrophobicContact CD1-CZ 4.35Å; F465-F570 AromaticContact CD2-CE2 3.65Å; F465-F570 HydrophobicContact CD2-CE2 3.65Å; F465-F570 HydrophobicContact CD2-CZ 4.05Å; F465-F570 AromaticContact CE2-CE2 3.95Å; F465-F570 HydrophobicContact CE2-CE2 3.95Å; F465-F570 HydrophobicContact CG-CE2 4Å; F465-F570 AromaticContact CG-CZ 3.9Å; F465-F570 HydrophobicContact CG-CZ 3.9Å; L529-F570 HydrophobicContact CD1-CD2 4.27Å; L529-F570 HydrophobicContact CD1-CG 4.31Å; L529-F570 HydrophobicContact CD2-CD2 3.72Å; L529-F570 HydrophobicContact CD2-CE2 3.73Å; V566-F570 HydrophobicContact CG1-CD2 4.33Å; V566-F570 PolarHBondContact O-N 3.16Å; F570-G572 PolarHBondContact O-N 3.41Å; F570-T594 HydrophobicContact CB-CG2 4.49Å; F570-P799 VanDerWaalsContact O-CB 3.28Å; F570-P799 WeakPolarHBondContact O-CB 3.35Å; F570-Y801 HydrophobicContact CD1-CG 4.48Å; F570-Y801 HydrophobicContact CE1-CD2 4.01Å; F570-Y801 HydrophobicContact CE1-CG 4.1Å; F570-I803 HydrophobicContact CB-CD1 4.36Å; F570-I803 HydrophobicContact CD1-CD1 3.6Å; F570-I803 HydrophobicContact CD1-CG1 4.12Å; F570-I803 HydrophobicContact CE1-CD1 4.17Å; F570-I803 HydrophobicContact CG-CD1 4.12Å; F570-F920 HydrophobicContact CE1-CD1 4.36Å; F570-F920 HydrophobicContact CE1-CE1 4.08Å |
| 571 | G | 94.3 | Very high | 91.1 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 19% | 0.186 | 23% | 0.229 | C | C | . | . | trans | -70.1 | 114.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V566 E567 | V566-G571 PolarHBondContact O-N 3.2Å; E567-G571 VanDerWaalsContact O-CA 3.28Å; E567-G571 WeakPolarHBondContact O-CA 3.37Å; E567-G571 PolarHBondContact O-N 2.94Å | ||
| 572 | G | 94.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 172.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F570 A592 F593 Q797 | F570-G572 PolarHBondContact O-N 3.41Å; G572-A592 WeakPolarHBondContact O-CA 3.16Å; G572-F593 VanDerWaalsContact C-CE1 3.47Å; G572-F593 PolarHBondContact N-O 2.91Å; G572-F593 PolarHBondContact O-N 3.17Å; G572-Q797 WeakPolarHBondContact CA-O 3.26Å |
| 573 | K | 94.8 | Very high | 94 | Very high | 80 Ų | 80 | 38 Ų | 38 | 35% | 0.348 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 138.8 | 173.3 | -63.6 | 178.6 | 154.2 | -151.9 | 0 | 111.7 | E590 E591 F593 S796 Q797 | K573-E590 HydrophobicContact CB-CG 4.29Å; K573-E590 HydrophobicContact CD-CG 4.46Å; K573-E590 WeakPolarHBondContact CD-OE2 3.32Å; K573-E590 WeakPolarHBondContact CE-OE2 3.38Å; K573-E590 IonicContact NZ-OE2 2.76Å; K573-E590 PolarHBondContact NZ-OE2 3.35Å; K573-E591 WeakPolarHBondContact CA-O 3.34Å; K573-F593 VanDerWaalsContact N-CE1 3.35Å; K573-S796 WeakPolarHBondContact CB-OG 3.43Å; K573-S796 PolarHBondContact O-N 3.47Å; K573-S796 PolarHBondContact O-OG 2.84Å; K573-Q797 HydrophobicContact CB-CB 3.86Å; K573-Q797 HydrophobicContact CD-CB 4.23Å; K573-Q797 HydrophobicContact CG-CB 4.15Å; K573-Q797 PolarHBondContact N-O 3.28Å; K573-Q797 PolarHBondContact O-N 3.23Å; K573-Q797 VanDerWaalsContact O-N 3.15Å |
| 574 | I | 95.3 | Very high | 94.4 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 139.3 | 179.8 | -166.9 | 168.8 | 0 | 0 | 0 | 108.9 | E590 E591 F593 F766 V793 E794 L795 | I574-E590 WeakPolarHBondContact O-CA 3.21Å; I574-E591 HydrophobicContact CG2-CG 3.41Å; I574-E591 VanDerWaalsContact CG2-CG 3.41Å; I574-E591 PolarHBondContact N-O 3.14Å; I574-E591 PolarHBondContact O-N 2.75Å; I574-F593 HydrophobicContact CB-CD1 4.01Å; I574-F593 HydrophobicContact CB-CE1 4.19Å; I574-F593 HydrophobicContact CG2-CD1 4.1Å; I574-F766 HydrophobicContact CD1-CE1 3.59Å; I574-F766 HydrophobicContact CD1-CZ 3.91Å; I574-V793 HydrophobicContact CD1-CG1 3.41Å; I574-V793 VanDerWaalsContact CD1-CG1 3.41Å; I574-V793 HydrophobicContact CG1-CG1 3.61Å; I574-E794 CarbonylContact C-O 3.43Å; I574-E794 WeakPolarHBondContact CA-O 3.38Å; I574-E794 WeakPolarHBondContact CG1-O 3.34Å; I574-L795 HydrophobicContact CB-CD2 4.03Å; I574-L795 HydrophobicContact CD1-CD2 3.81Å; I574-L795 HydrophobicContact CG1-CD2 3.85Å |
| 575 | V | 95.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 45 Ų | 45 | 9% | 0.085 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 117.7 | 178.6 | 59.5 | 0 | 0 | 0 | 0 | 109.8 | R577 R589 E794 | V575-R577 HydrophobicContact CG2-CG 4.14Å; V575-R589 WeakPolarHBondContact CA-O 3.42Å; V575-E794 HydrophobicContact CG1-CB 3.99Å; V575-E794 WeakPolarHBondContact CG1-O 3.39Å; V575-E794 PolarHBondContact N-O 3.01Å; V575-E794 PolarHBondContact O-N 3.36Å |
| 576 | T | 95.4 | Very high | 94.8 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.5 | 169.1 | -64.7 | 0 | 0 | 0 | 0 | 108.5 | I578 S588 R589 K791 V792 | T576-I578 HydrophobicContact CG2-CG1 4.28Å; T576-S588 WeakPolarHBondContact O-CA 3.46Å; T576-R589 PolarHBondContact N-O 3.27Å; T576-R589 PolarHBondContact O-N 3Å; T576-K791 HydrophobicContact CG2-CD 4.46Å; T576-K791 HydrophobicContact CG2-CG 3.98Å; T576-V792 WeakPolarHBondContact CA-O 3.45Å |
| 577 | R | 94.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 49.1 Ų | 49.1 | 31% | 0.313 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.6 | 172 | -54.3 | -163.9 | -161.3 | 87.8 | 4.5 | 110.1 | V575 V586 S587 K791 V792 E794 | V575-R577 HydrophobicContact CG2-CG 4.14Å; R577-V586 HydrophobicContact CB-CG1 3.85Å; R577-S587 CarbonylContact C-O 3.53Å; R577-S587 VanDerWaalsContact CA-O 3.27Å; R577-S587 WeakPolarHBondContact CA-O 3.15Å; R577-K791 CarbonylContact O-C 3.6Å; R577-K791 WeakPolarHBondContact O-CA 3.4Å; R577-V792 PolarHBondContact N-O 3.44Å; R577-V792 PolarHBondContact O-N 2.97Å; R577-E794 IonicContact CZ-OE2 2.76Å; R577-E794 IonicContact NH1-OE2 2.74Å; R577-E794 PolarHBondContact NH1-OE2 3.42Å; R577-E794 IonicContact NH2-OE2 3.15Å; R577-E794 PolarHBondContact NH2-OE2 2.95Å |
| 578 | I | 95.7 | Very high | 94.8 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 17% | 0.169 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 112.1 | 178.7 | -56.2 | 176.6 | 0 | 0 | 0 | 108.4 | T576 V586 S587 L772 Y778 A789 E790 K791 | T576-I578 HydrophobicContact CG2-CG1 4.28Å; I578-V586 WeakPolarHBondContact O-CA 3.23Å; I578-S587 PolarHBondContact N-O 2.73Å; I578-S587 PolarHBondContact O-N 3.49Å; I578-S587 PolarHBondContact O-OG 3.16Å; I578-L772 HydrophobicContact CD1-CD1 4.32Å; I578-L772 HydrophobicContact CG2-CD1 4.04Å; I578-Y778 HydrophobicContact CD1-CD2 4.45Å; I578-Y778 HydrophobicContact CG2-CD1 3.73Å; I578-Y778 HydrophobicContact CG2-CD2 4.05Å; I578-Y778 HydrophobicContact CG2-CE1 4.02Å; I578-Y778 HydrophobicContact CG2-CE2 4.35Å; I578-Y778 HydrophobicContact CG2-CG 3.74Å; I578-A789 HydrophobicContact CG2-CB 3.74Å; I578-E790 WeakPolarHBondContact CA-O 3.26Å; I578-K791 HydrophobicContact CG1-CB 4.29Å; I578-K791 HydrophobicContact CG1-CG 4.35Å |
| 579 | C | 96.1 | Very high | 94.9 | Very high | 33 Ų | 33 | 52.6 Ų | 52.6 | 22% | 0.223 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 117.5 | 177 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | L581 V586 A789 E790 | C579-L581 PolarHBondContact O-N 2.99Å; C579-V586 HydrophobicContact CB-CG2 4.03Å; C579-A789 CarbonylContact O-C 3.59Å; C579-A789 WeakPolarHBondContact O-CA 3.21Å; C579-A789 VanDerWaalsContact O-CB 3.24Å; C579-A789 WeakPolarHBondContact O-CB 3.34Å; C579-E790 PolarHBondContact N-O 2.82Å; C579-E790 PolarHBondContact O-N 3.01Å |
| 580 | C | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 119.6 | 173.4 | 177 | 0 | 0 | 0 | 0 | 110.3 | C582 C583 L584 N585 Y778 C780 | C580-C582 PolarHBondContact O-N 3.36Å; C580-C582 VanDerWaalsContact O-N 3.17Å; C580-C583 VanDerWaalsContact SG-SG 3.67Å; C580-L584 WeakPolarHBondContact O-CA 3.48Å; C580-L584 PolarHBondContact O-N 3.03Å; C580-N585 PolarHBondContact N-O 3.39Å; C580-Y778 HydrophobicContact CB-CD1 4.45Å; C580-Y778 HydrophobicContact CB-CE1 4.47Å; C580-C780 HydrophobicContact CB-CB 4.18Å; C580-C780 VanDerWaalsContact SG-SG 3.66Å |
| 581 | L | 94.9 | Very high | 94.8 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10 | -176.7 | -58.7 | -177.8 | 0 | 0 | 0 | 113.7 | C579 D788 E790 | C579-L581 PolarHBondContact O-N 2.99Å; L581-D788 WeakPolarHBondContact CB-O 3.36Å; L581-D788 HydrophobicContact CD1-CB 4.28Å; L581-D788 PolarHBondContact N-O 3.37Å; L581-E790 HydrophobicContact CD2-CB 4.4Å |
| 582 | C | 94.5 | Very high | 94.8 | Very high | 82 Ų | 82 | 63.2 Ų | 63.2 | 55% | 0.554 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -45.8 | 177.6 | -175.2 | 0 | 0 | 0 | 0 | 113.1 | C580 Q787 | C580-C582 PolarHBondContact O-N 3.36Å; C580-C582 VanDerWaalsContact O-N 3.17Å; C582-Q787 HydrophobicContact CB-CB 4.44Å; C582-Q787 HydrophobicContact CB-CG 4.07Å; C582-Q787 VanDerWaalsContact CB-OE1 3.3Å |
| 583 | C | 94.4 | Very high | 94.8 | Very high | 50 Ų | 50 | 64.2 Ų | 64.2 | 34% | 0.338 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -2.8 | -177.4 | 67.5 | 0 | 0 | 0 | 0 | 115 | C580 N585 | C580-C583 VanDerWaalsContact SG-SG 3.67Å; C583-N585 PolarHBondContact O-N 3.11Å; C583-N585 VanDerWaalsContact O-N 3.09Å; C583-N585 VanDerWaalsContact SG-CB 3.53Å |
| 584 | L | 95.1 | Very high | 94.8 | Very high | 127 Ų | 127 | 62.5 Ų | 62.5 | 67% | 0.665 | 35% | 0.346 | S | S | * | . | trans | 58.9 | 13 | -176.1 | -49 | -178.8 | 0 | 0 | 0 | 114.9 | C580 | C580-L584 WeakPolarHBondContact O-CA 3.48Å; C580-L584 PolarHBondContact O-N 3.03Å | ||
| 585 | N | 94.4 | Very high | 94.8 | Very high | 77 Ų | 77 | 63.1 Ų | 63.1 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | trans | -68.4 | 135.3 | 171.3 | -175 | 46 | 0 | 0 | 0 | 110.4 | C580 C583 | C580-N585 PolarHBondContact N-O 3.39Å; C583-N585 PolarHBondContact O-N 3.11Å; C583-N585 VanDerWaalsContact O-N 3.09Å; C583-N585 VanDerWaalsContact SG-CB 3.53Å | ||
| 586 | V | 94.6 | Very high | 94.9 | Very high | 72 Ų | 72 | 62.7 Ų | 62.7 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 107.9 | 179.8 | -177 | 0 | 0 | 0 | 0 | 109.2 | R577 I578 C579 | R577-V586 HydrophobicContact CB-CG1 3.85Å; I578-V586 WeakPolarHBondContact O-CA 3.23Å; C579-V586 HydrophobicContact CB-CG2 4.03Å |
| 587 | S | 93.4 | Very high | 95 | Very high | 38 Ų | 38 | 63.2 Ų | 63.2 | 27% | 0.266 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 143.7 | 166 | 56.1 | 0 | 0 | 0 | 0 | 109.5 | R577 I578 Y778 | R577-S587 CarbonylContact C-O 3.53Å; R577-S587 VanDerWaalsContact CA-O 3.27Å; R577-S587 WeakPolarHBondContact CA-O 3.15Å; I578-S587 PolarHBondContact N-O 2.73Å; I578-S587 PolarHBondContact O-N 3.49Å; I578-S587 PolarHBondContact O-OG 3.16Å; S587-Y778 PolarHBondContact OG-OH 3.45Å; S587-Y778 VanDerWaalsContact OG-OH 3.06Å |
| 588 | S | 94.3 | Very high | 95 | Very high | 87 Ų | 87 | 59.2 Ų | 59.2 | 61% | 0.608 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.2 | -179.7 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | T576 | T576-S588 WeakPolarHBondContact O-CA 3.46Å |
| 589 | R | 94.4 | Very high | 95 | Very high | 169 Ų | 169 | 59.6 Ų | 59.6 | 64% | 0.638 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 123 | 175 | -168.2 | 174 | 84 | -176.1 | 5.4 | 108.9 | V575 T576 E591 | V575-R589 WeakPolarHBondContact CA-O 3.42Å; T576-R589 PolarHBondContact N-O 3.27Å; T576-R589 PolarHBondContact O-N 3Å; R589-E591 IonicContact CZ-OE2 3.54Å; R589-E591 IonicContact NE-OE2 3.77Å; R589-E591 PolarHBondContact NE-OE2 3.2Å; R589-E591 IonicContact NH2-OE1 2.73Å; R589-E591 IonicContact NH2-OE2 3.09Å; R589-E591 PolarHBondContact NH2-OE2 3.25Å |
| 590 | E | 95 | Very high | 94.8 | Very high | 97 Ų | 97 | 59.2 Ų | 59.2 | 45% | 0.453 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 136.4 | 167 | -175.7 | 172.1 | -106.7 | 0 | 0 | 109.2 | K573 I574 S796 | K573-E590 HydrophobicContact CB-CG 4.29Å; K573-E590 HydrophobicContact CD-CG 4.46Å; K573-E590 WeakPolarHBondContact CD-OE2 3.32Å; K573-E590 WeakPolarHBondContact CE-OE2 3.38Å; K573-E590 IonicContact NZ-OE2 2.76Å; K573-E590 PolarHBondContact NZ-OE2 3.35Å; I574-E590 WeakPolarHBondContact O-CA 3.21Å; E590-S796 WeakPolarHBondContact OE1-CB 3.5Å; E590-S796 PolarHBondContact OE1-OG 2.85Å |
| 591 | E | 94.1 | Very high | 94.6 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 31% | 0.308 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 154.7 | 179.1 | 58.5 | -153.8 | -159.3 | 0 | 0 | 110.4 | K573 I574 R589 | K573-E591 WeakPolarHBondContact CA-O 3.34Å; I574-E591 HydrophobicContact CG2-CG 3.41Å; I574-E591 VanDerWaalsContact CG2-CG 3.41Å; I574-E591 PolarHBondContact N-O 3.14Å; I574-E591 PolarHBondContact O-N 2.75Å; R589-E591 IonicContact CZ-OE2 3.54Å; R589-E591 IonicContact NE-OE2 3.77Å; R589-E591 PolarHBondContact NE-OE2 3.2Å; R589-E591 IonicContact NH2-OE1 2.73Å; R589-E591 IonicContact NH2-OE2 3.09Å; R589-E591 PolarHBondContact NH2-OE2 3.25Å |
| 592 | A | 94.1 | Very high | 94.2 | Very high | 89 Ų | 89 | 60.7 Ų | 60.7 | 74% | 0.736 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 149.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G572 | G572-A592 WeakPolarHBondContact O-CA 3.16Å |
| 593 | F | 95.4 | Very high | 93.4 | Very high | 23 Ų | 23 | 62.2 Ų | 62.2 | 10% | 0.101 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 158.8 | 176.7 | 70.9 | -94.9 | 0 | 0 | 0 | 111.8 | G572 K573 I574 D595 L596 L795 P799 L802 | G572-F593 VanDerWaalsContact C-CE1 3.47Å; G572-F593 PolarHBondContact N-O 2.91Å; G572-F593 PolarHBondContact O-N 3.17Å; K573-F593 VanDerWaalsContact N-CE1 3.35Å; I574-F593 HydrophobicContact CB-CD1 4.01Å; I574-F593 HydrophobicContact CB-CE1 4.19Å; I574-F593 HydrophobicContact CG2-CD1 4.1Å; F593-D595 WeakPolarHBondContact CD2-O 3.39Å; F593-L596 HydrophobicContact CD1-CD2 4.13Å; F593-L596 HydrophobicContact CD2-CD2 3.61Å; F593-L596 HydrophobicContact CD2-CG 4.15Å; F593-L596 HydrophobicContact CE1-CD2 4.09Å; F593-L596 HydrophobicContact CE2-CD1 4.5Å; F593-L596 HydrophobicContact CE2-CD2 3.59Å; F593-L596 HydrophobicContact CE2-CG 3.83Å; F593-L596 HydrophobicContact CG-CD2 3.89Å; F593-L596 HydrophobicContact CZ-CD2 3.83Å; F593-L596 HydrophobicContact CZ-CG 4.28Å; F593-L795 HydrophobicContact CE1-CD2 3.62Å; F593-L795 HydrophobicContact CZ-CD2 3.85Å; F593-P799 HydrophobicContact CE2-CG 4.15Å; F593-P799 HydrophobicContact CZ-CG 4.48Å; F593-L802 HydrophobicContact CE2-CD1 4.23Å |
| 594 | T | 94.4 | Very high | 91.5 | Very high | 44 Ų | 44 | 68.8 Ų | 68.8 | 27% | 0.27 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -115.5 | -33.1 | 171.8 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | V566 F570 | V566-T594 HydrophobicContact CG1-CG2 4.38Å; F570-T594 HydrophobicContact CB-CG2 4.49Å |
| 595 | D | 95.8 | Very high | 88.8 | Confident | 23 Ų | 23 | 74 Ų | 74 | 12% | 0.123 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 163.6 | 164.9 | 79.1 | -54.3 | 0 | 0 | 0 | 112 | K526 F593 S597 I803 T805 | K526-D595 WeakPolarHBondContact CE-OD1 3.43Å; K526-D595 WeakPolarHBondContact CE-OD2 3.15Å; K526-D595 IonicContact NZ-OD1 3.18Å; K526-D595 PolarHBondContact NZ-OD1 3.43Å; K526-D595 IonicContact NZ-OD2 2.71Å; K526-D595 PolarHBondContact NZ-OD2 2.99Å; F593-D595 WeakPolarHBondContact CD2-O 3.39Å; D595-S597 PolarHBondContact OD2-OG 3.26Å; D595-I803 CarbonylContact C-O 3.53Å; D595-I803 VanDerWaalsContact CA-O 3.3Å; D595-I803 WeakPolarHBondContact CA-O 3.25Å; D595-I803 HydrophobicContact CB-CB 3.94Å; D595-I803 HydrophobicContact CB-CG2 3.76Å; D595-T805 WeakPolarHBondContact OD2-CB 3.26Å; D595-T805 PolarHBondContact OD2-OG1 2.91Å |
| 596 | L | 96.6 | Very high | 85.7 | Confident | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.026 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.3 | 158.1 | -57.4 | 179.9 | 0 | 0 | 0 | 108.8 | F593 L598 F766 L795 L802 I803 L804 T805 | F593-L596 HydrophobicContact CD1-CD2 4.13Å; F593-L596 HydrophobicContact CD2-CD2 3.61Å; F593-L596 HydrophobicContact CD2-CG 4.15Å; F593-L596 HydrophobicContact CE1-CD2 4.09Å; F593-L596 HydrophobicContact CE2-CD1 4.5Å; F593-L596 HydrophobicContact CE2-CD2 3.59Å; F593-L596 HydrophobicContact CE2-CG 3.83Å; F593-L596 HydrophobicContact CG-CD2 3.89Å; F593-L596 HydrophobicContact CZ-CD2 3.83Å; F593-L596 HydrophobicContact CZ-CG 4.28Å; L596-L598 HydrophobicContact CB-CD2 4.11Å; L596-L598 PolarHBondContact O-N 2.95Å; L596-F766 HydrophobicContact CD1-CE1 4.39Å; L596-F766 HydrophobicContact CD2-CE1 3.86Å; L596-F766 HydrophobicContact CD2-CZ 4.03Å; L596-L795 HydrophobicContact CD1-CD1 4.02Å; L596-L795 HydrophobicContact CD1-CD2 4.19Å; L596-L795 HydrophobicContact CD2-CD2 4.15Å; L596-L802 HydrophobicContact CD1-CD1 4.01Å; L596-L802 HydrophobicContact CG-CD1 4.22Å; L596-I803 PolarHBondContact N-O 3.37Å; L596-L804 HydrophobicContact CB-CD2 3.81Å; L596-L804 HydrophobicContact CD1-CD2 4.13Å; L596-L804 HydrophobicContact CG-CD2 4.28Å; L596-L804 WeakPolarHBondContact O-CA 3.29Å; L596-T805 PolarHBondContact O-N 3.39Å |
| 597 | S | 96.6 | Very high | 82.6 | Confident | 35 Ų | 35 | 83 Ų | 83 | 25% | 0.245 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 98 | 176.6 | -72.4 | 0 | 0 | 0 | 0 | 109.9 | K526 D595 A599 T805 | K526-S597 PolarHBondContact NZ-OG 2.88Å; D595-S597 PolarHBondContact OD2-OG 3.26Å; S597-A599 PolarHBondContact O-N 2.91Å; S597-T805 CarbonylContact C-O 3.6Å |
| 598 | L | 96.4 | Very high | 79.6 | Confident | 0 Ų | 0 | 92 Ų | 92 | 0% | 0 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 108.7 | -171.6 | -60.2 | -173.5 | 0 | 0 | 0 | 111.5 | L596 L762 V763 F766 L804 T805 L806 L807 | L596-L598 HydrophobicContact CB-CD2 4.11Å; L596-L598 PolarHBondContact O-N 2.95Å; L598-L762 HydrophobicContact CB-CB 4.21Å; L598-L762 HydrophobicContact CD1-CB 4.02Å; L598-V763 HydrophobicContact CD1-CG2 3.74Å; L598-V763 HydrophobicContact CD2-CG2 4.2Å; L598-F766 HydrophobicContact CD2-CB 3.81Å; L598-F766 HydrophobicContact CD2-CD1 4.48Å; L598-F766 HydrophobicContact CD2-CD2 4.26Å; L598-F766 HydrophobicContact CD2-CG 3.95Å; L598-L804 HydrophobicContact CD1-CB 4.23Å; L598-L804 HydrophobicContact CD1-CD1 4.22Å; L598-L804 HydrophobicContact CD1-CD2 4.2Å; L598-L804 HydrophobicContact CD1-CG 4.46Å; L598-T805 PolarHBondContact N-O 3.42Å; L598-L806 HydrophobicContact CB-CD2 4.17Å; L598-L806 HydrophobicContact CD1-CD2 3.94Å; L598-L807 WeakPolarHBondContact O-CB 3.31Å; L598-L807 PolarHBondContact O-N 3.12Å |
| 599 | A | 93.9 | Very high | 76.5 | Confident | 41 Ų | 41 | 99 Ų | 99 | 34% | 0.339 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 144.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S597 Y765 L807 | S597-A599 PolarHBondContact O-N 2.91Å; A599-Y765 HydrophobicContact CB-CE1 4.31Å; A599-Y765 WeakPolarHBondContact O-CD1 3.46Å; A599-L807 HydrophobicContact CB-CD1 4.24Å |
| 600 | F | 93.3 | Very high | 73.5 | Confident | 24 Ų | 24 | 102.7 Ų | 102.7 | 11% | 0.105 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 133.5 | 170.3 | -78 | -111.8 | 0 | 0 | 0 | 109.9 | L762 L806 L807 R808 I821 D823 V825 | F600-L762 HydrophobicContact CE2-CD1 4.49Å; F600-L762 HydrophobicContact CZ-CD1 4.41Å; F600-L806 HydrophobicContact CE2-CB 4.3Å; F600-L807 WeakPolarHBondContact CD2-O 3.41Å; F600-R808 HydrophobicContact CE2-CB 4.47Å; F600-R808 HydrophobicContact CE2-CG 3.65Å; F600-R808 HydrophobicContact CZ-CG 3.76Å; F600-I821 HydrophobicContact CB-CD1 4.19Å; F600-I821 HydrophobicContact CD1-CG2 3.87Å; F600-I821 HydrophobicContact CD2-CD1 4.27Å; F600-I821 HydrophobicContact CE1-CG2 3.89Å; F600-I821 HydrophobicContact CG-CD1 4.14Å; F600-I821 HydrophobicContact CG-CG2 4.31Å; F600-I821 HydrophobicContact CZ-CG2 4.33Å; F600-D823 HydrophobicContact CE1-CB 4.04Å; F600-V825 HydrophobicContact CE1-CG2 3.58Å; F600-V825 HydrophobicContact CZ-CG2 3.68Å |
| 601 | P | 91 | Very high | 70.4 | Confident | 36 Ų | 36 | 106.2 Ų | 106.2 | 23% | 0.234 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 137.8 | 169.7 | -26.2 | 31.6 | 0 | 0 | 0 | 111.8 | R757 L762 Y765 | P601-R757 PolarHBondContact O-NH1 3.39Å; P601-L762 HydrophobicContact CG-CD2 4.48Å; P601-Y765 HydrophobicContact CB-CD2 4.38Å; P601-Y765 HydrophobicContact CB-CE1 4.39Å; P601-Y765 HydrophobicContact CB-CE2 4.18Å; P601-Y765 HydrophobicContact CG-CD1 3.81Å; P601-Y765 HydrophobicContact CG-CD2 3.97Å; P601-Y765 HydrophobicContact CG-CE1 4.07Å; P601-Y765 HydrophobicContact CG-CE2 4.22Å; P601-Y765 HydrophobicContact CG-CG 3.76Å |
| 602 | P | 86.9 | Confident | 67.2 | Low | 89 Ų | 89 | 106.8 Ų | 106.8 | 58% | 0.578 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 147.8 | -179.8 | 27 | -35.4 | 0 | 0 | 0 | 111 | E604 Y765 | P602-E604 PolarHBondContact O-N 3.44Å; P602-Y765 WeakPolarHBondContact CD-OH 3.33Å |
| 603 | P | 76.5 | Confident | 64 | Low | 115 Ų | 115 | 108.1 Ų | 108.1 | 75% | 0.747 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 133.3 | 178.2 | 26.2 | -34 | 0 | 0 | 0 | 110.7 | R605 | P603-R605 PolarHBondContact O-N 2.71Å; P603-R605 VanDerWaalsContact O-N 3.13Å |
| 604 | E | 56 | Low | 60.9 | Low | 188 Ų | 188 | 113.2 Ų | 113.2 | 88% | 0.879 | 57% | 0.57 | S | S | * | * | trans | -64.9 | 115.3 | -177.1 | -71.4 | -157.7 | 164.7 | 0 | 0 | 111.5 | P602 C606 | P602-E604 PolarHBondContact O-N 3.44Å; E604-C606 VanDerWaalsContact C-N 3.31Å; E604-C606 PolarHBondContact O-N 2.78Å | ||
| 605 | R | 37.8 | Very low | 57.7 | Low | 237 Ų | 237 | 119.5 Ų | 119.5 | 89% | 0.894 | 60% | 0.599 | S | S | * | * | trans | -69.1 | 89 | 168.6 | -77.4 | -174.9 | 168.4 | -173.8 | -3.9 | 109.7 | P603 R607 | P603-R605 PolarHBondContact O-N 2.71Å; P603-R605 VanDerWaalsContact O-N 3.13Å; R605-R607 PolarHBondContact O-N 3.21Å | ||
| 606 | C | 28.9 | Very low | 54.3 | Low | 98 Ų | 98 | 129.4 Ų | 129.4 | 66% | 0.662 | 63% | 0.634 | S | S | * | * | trans | -57.6 | 88.1 | -176.3 | -165.8 | 0 | 0 | 0 | 0 | 112.8 | E604 R608 | E604-C606 VanDerWaalsContact C-N 3.31Å; E604-C606 PolarHBondContact O-N 2.78Å; C606-R608 VanDerWaalsContact C-N 3.26Å; C606-R608 PolarHBondContact O-N 3.18Å | ||
| 607 | R | 30 | Very low | 51.2 | Low | 238 Ų | 238 | 134.9 Ų | 134.9 | 90% | 0.898 | 67% | 0.67 | S | S | * | * | trans | -75 | 71 | 178.8 | -81 | -174.6 | 166 | -176.2 | -1.2 | 111.6 | R605 R609 | R605-R607 PolarHBondContact O-N 3.21Å; R607-R609 PolarHBondContact O-N 2.96Å | ||
| 608 | R | 29.5 | Very low | 47.8 | Very low | 228 Ų | 228 | 140 Ų | 140 | 86% | 0.86 | 70% | 0.7 | S | S | * | * | trans | -66.7 | 71.3 | 169.5 | -75.8 | -171 | 173.1 | -167.5 | -0.8 | 112.4 | C606 R610 | C606-R608 VanDerWaalsContact C-N 3.26Å; C606-R608 PolarHBondContact O-N 3.18Å; R608-R610 PolarHBondContact O-N 2.85Å | ||
| 609 | R | 29.1 | Very low | 44.3 | Very low | 235 Ų | 235 | 143.2 Ų | 143.2 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | trans | -74 | 112.2 | 158.7 | -92.6 | -168.7 | 170.4 | -167.7 | -2.5 | 108.7 | R607 L611 | R607-R609 PolarHBondContact O-N 2.96Å; R609-L611 PolarHBondContact O-N 2.92Å | ||
| 610 | R | 33.2 | Very low | 41 | Very low | 246 Ų | 246 | 148.7 Ų | 148.7 | 93% | 0.928 | 76% | 0.757 | S | S | * | * | trans | -66.4 | 115.8 | 169.9 | -62.6 | -174.8 | -174.5 | -158.2 | 3.4 | 109.7 | R608 | R608-R610 PolarHBondContact O-N 2.85Š| ||
| 611 | L | 29.3 | Very low | 37.8 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -129.5 | 154.2 | 149.8 | -102.8 | 99.6 | 0 | 0 | 0 | 108.8 | R609 | R609-L611 PolarHBondContact O-N 2.92Š| ||
| 612 | G | 27.1 | Very low | 34.5 | Very low | 78 Ų | 78 | 158.9 Ų | 158.9 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -79.1 | 161.8 | -163.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 613 | S | 26.8 | Very low | 31.5 | Very low | 116 Ų | 116 | 158.8 Ų | 158.8 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -55 | 147.6 | 168.2 | 178.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 614 | V | 29 | Very low | 29 | Very low | 130 Ų | 130 | 161 Ų | 161 | 79% | 0.788 | 82% | 0.821 | S | S | * | * | -167.9 | 122.5 | 121.3 | 141 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 615 | M | 27 | Very low | 27.4 | Very low | 177 Ų | 177 | 159 Ų | 159 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | 56.3 | 157.2 | 155.7 | -66 | -159 | 72.5 | 0 | 0 | 124 | ||||
| 616 | R | 25.4 | Very low | 26.7 | Very low | 231 Ų | 231 | 154.8 Ų | 154.8 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -93.6 | 164.4 | -180 | -91.5 | -179.3 | 169.7 | 173.8 | -2.6 | 112.3 | ||||
| 617 | P | 30.9 | Very low | 26.3 | Very low | 120 Ų | 120 | 157.4 Ų | 157.4 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -93.9 | 163 | -172.2 | 37.6 | -37.2 | 0 | 0 | 0 | 115.2 | ||||
| 618 | T | 25 | Very low | 27.2 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -148.7 | 126.7 | 164 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 619 | G | 24.6 | Very low | 27 | Very low | 69 Ų | 69 | 146.1 Ų | 146.1 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 69.6 | 96.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 620 | D | 24.1 | Very low | 26.9 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | 52.9 | 155.9 | 121.4 | -66.1 | -10.7 | 0 | 0 | 0 | 124.9 | |||||
| 621 | I | 25.5 | Very low | 26.6 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 87 | 93.9 | 159.6 | -65.9 | 152.1 | 0 | 0 | 0 | 119 | ||||
| 622 | T | 22.3 | Very low | 26.5 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | 47.8 | 135.9 | 135.5 | 70.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 623 | A | 24.5 | Very low | 26.5 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 78.7 | 108.4 | 132.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 624 | Q | 23.7 | Very low | 26.3 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | 73.2 | 110.6 | 117.1 | -148.5 | 173.3 | -17.8 | 0 | 0 | 121.6 | |||||
| 625 | E | 22.6 | Very low | 26.9 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | 71.2 | 136.6 | 139.9 | -75.4 | -175.7 | 108.5 | 0 | 0 | 125 | ||||
| 626 | L | 22.5 | Very low | 26.8 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 81.9 | 106.4 | 145.4 | -67.7 | 162.1 | 0 | 0 | 0 | 122.9 | ||||
| 627 | L | 20.9 | Very low | 26.8 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -20.3 | 169.8 | 131.4 | -73 | 165.4 | 0 | 0 | 0 | 118.2 | ||||
| 628 | P | 49 | Very low | 26.6 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | cis | -142.4 | -160.6 | -16.6 | 33.9 | -10.3 | 0 | 0 | 0 | 115 | ||||
| 629 | T | 23.5 | Very low | 26.6 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | 72.3 | 151.9 | 152.7 | 51.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 630 | A | 27.8 | Very low | 27.1 | Very low | 79 Ų | 79 | 128.2 Ų | 128.2 | 65% | 0.653 | 77% | 0.772 | S | S | * | * | cis | -171.6 | 173.4 | -19.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 631 | S | 27.1 | Very low | 27.1 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | 79.4 | 151.1 | 152.5 | 81.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 632 | A | 27.5 | Very low | 27 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | cis | -171.8 | 159.3 | -23.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 633 | Q | 26.3 | Very low | 27.2 | Very low | 200 Ų | 200 | 139.4 Ų | 139.4 | 94% | 0.935 | 79% | 0.787 | S | S | * | * | 177.3 | 156.6 | 129.6 | -95.8 | 167.3 | 52.6 | 0 | 0 | 112.8 | |||||
| 634 | G | 22.5 | Very low | 27.2 | Very low | 69 Ų | 69 | 146.9 Ų | 146.9 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -120.1 | -147.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 635 | P | 41.5 | Very low | 27.4 | Very low | 140 Ų | 140 | 147 Ų | 147 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | cis | -122.1 | -174.2 | -2 | 41.7 | -27.1 | 0 | 0 | 0 | 112.8 | ||||
| 636 | G | 24.9 | Very low | 27.6 | Very low | 68 Ų | 68 | 148.3 Ų | 148.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | 154.2 | 155.3 | -12 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 637 | R | 27.2 | Very low | 27.8 | Very low | 253 Ų | 253 | 145.2 Ų | 145.2 | 96% | 0.955 | 79% | 0.79 | S | S | * | * | trans | 71.6 | 144 | 169.5 | -71.3 | -175.1 | 176.5 | -149.1 | -1.1 | 117.7 | ||||
| 638 | V | 25.7 | Very low | 28.1 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | cis | -138.2 | 150.6 | -1.6 | -167.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 639 | G | 25 | Very low | 27 | Very low | 62 Ų | 62 | 146.3 Ų | 146.3 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | trans | -89.9 | -169.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 640 | P | 34.7 | Very low | 27.1 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | -156.2 | 178.8 | 99.5 | 42.5 | -25.4 | 0 | 0 | 0 | 118.2 | |||||
| 641 | R | 25.5 | Very low | 26.9 | Very low | 247 Ų | 247 | 146.9 Ų | 146.9 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | 90.4 | 160.1 | 151.1 | -87.1 | 179.9 | 175.9 | 174 | 0.4 | 121.8 | ||||
| 642 | R | 22.6 | Very low | 26.8 | Very low | 237 Ų | 237 | 147.3 Ų | 147.3 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -103.6 | 170 | -173 | -67.4 | 177.4 | 170.4 | 177.5 | -5.1 | 112.5 | ||||
| 643 | Q | 25.6 | Very low | 28 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -23.4 | 148.3 | 154.1 | -58.8 | 166.2 | -39.8 | 0 | 0 | 118.2 | ||||
| 644 | R | 25.8 | Very low | 28.9 | Very low | 243 Ų | 243 | 144.3 Ų | 144.3 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | 177.3 | 156.5 | 145 | -103.5 | 166.9 | 177.4 | -167.9 | -2.2 | 108 | ||||
| 645 | K | 27.5 | Very low | 29.1 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | cis | -121.9 | -169.8 | -7.1 | -95.8 | -178.4 | 163.1 | -175.8 | 0 | 106.7 | ||||
| 646 | H | 27.9 | Very low | 28.3 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | cis | -164.9 | 154.2 | -6.8 | -118.8 | 14.4 | 0 | 0 | 0 | 102.9 | ||||
| 647 | C | 25.5 | Very low | 28.2 | Very low | 83 Ų | 83 | 148.4 Ų | 148.4 | 56% | 0.561 | 78% | 0.78 | S | S | * | * | cis | -145.5 | -175.8 | -1.7 | -101.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 648 | I | 26.9 | Very low | 28.1 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | cis | 75.9 | 113.6 | 28.6 | -45.7 | 177.2 | 0 | 0 | 0 | 112.8 | ||||
| 649 | T | 25.6 | Very low | 28.1 | Very low | 130 Ų | 130 | 142 Ų | 142 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | cis | -132.4 | 158.2 | 6.7 | 3.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 650 | G | 25.4 | Very low | 28.2 | Very low | 67 Ų | 67 | 147.8 Ų | 147.8 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | 84.1 | 140.8 | 72.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 651 | D | 25.1 | Very low | 27.8 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | cis | -154.8 | -162 | -4.1 | -111.6 | -53.5 | 0 | 0 | 0 | 110.2 | ||||
| 652 | T | 24.9 | Very low | 27.9 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -103.6 | -143.2 | -166 | 56.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 653 | P | 51.7 | Low | 28 | Very low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | trans | -116.8 | -154.5 | -140.2 | 37.8 | -12.9 | 0 | 0 | 0 | 112.1 | ||||
| 654 | P | 46.4 | Very low | 28.1 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | cis | -144.2 | -173.5 | 2.7 | 43.9 | -22.3 | 0 | 0 | 0 | 118.3 | ||||
| 655 | T | 24.9 | Very low | 28.1 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | 28.7 | 129.6 | 151.4 | 46.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 656 | S | 24.7 | Very low | 27.9 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | 75.1 | 148.1 | 127 | 73.5 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 657 | L | 24.7 | Very low | 27.9 | Very low | 144 Ų | 144 | 125.2 Ų | 125.2 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | 88.6 | 121.2 | 156.5 | -59 | -176 | 0 | 0 | 0 | 121.2 | ||||
| 658 | D | 23.6 | Very low | 27.8 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | 82.5 | 121.3 | 122.7 | -64.1 | -3.2 | 0 | 0 | 0 | 126.3 | |||||
| 659 | I | 26.7 | Very low | 27.7 | Very low | 131 Ų | 131 | 121.6 Ų | 121.6 | 67% | 0.672 | 75% | 0.754 | S | S | * | * | 93.6 | 133.3 | 126 | -73.3 | 171.6 | 0 | 0 | 0 | 122.4 | |||||
| 660 | E | 26.7 | Very low | 27.6 | Very low | 184 Ų | 184 | 124.2 Ų | 124.2 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | 58.6 | 138.3 | 164.1 | -77 | 155.4 | -148.5 | 0 | 0 | 119.8 | ||||
| 661 | G | 26.6 | Very low | 27.5 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | cis | -166.4 | -162.7 | 0.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 662 | L | 27.1 | Very low | 27.4 | Very low | 160 Ų | 160 | 122.7 Ų | 122.7 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | cis | -166.3 | -165.5 | -4.7 | -127.9 | 177.7 | 0 | 0 | 0 | 109.8 | ||||
| 663 | D | 23.8 | Very low | 27.3 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | trans | 63.6 | 78.2 | 159.1 | -74.3 | 7.7 | 0 | 0 | 0 | 123.1 | ||||
| 664 | S | 28.5 | Very low | 26 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | 80.9 | 150.6 | 122 | 83.5 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 665 | K | 25.5 | Very low | 24.9 | Very low | 168 Ų | 168 | 128.1 Ų | 128.1 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | cis | -155.4 | 147.2 | 9.3 | -143.6 | 173 | -166.6 | -151.2 | 0 | 115 | ||||
| 666 | E | 24.4 | Very low | 24.9 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | trans | 20.4 | 120.1 | 151.5 | -63.6 | 161.3 | 151.6 | 0 | 0 | 119.4 | ||||
| 667 | A | 26.3 | Very low | 24.9 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | 78.2 | 144.7 | 63.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 668 | G | 24.8 | Very low | 25 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | cis | 168.7 | 170.7 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 669 | G | 24.4 | Very low | 25.2 | Very low | 76 Ų | 76 | 134.5 Ų | 134.5 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | trans | 75.8 | 171.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 670 | Q | 24.3 | Very low | 25.2 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | cis | -168 | 143.3 | -31.9 | -141.2 | 173.7 | -4.4 | 0 | 0 | 110.2 | ||||
| 671 | S | 22.1 | Very low | 25.4 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | trans | 53 | 136.5 | 152.1 | 59 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 672 | S | 23.4 | Very low | 25.5 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | 65.9 | 154.2 | 139 | 62.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 673 | Q | 23 | Very low | 25.6 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | cis | -163.7 | 161.8 | -11.2 | -121.8 | 162 | -92 | 0 | 0 | 108.5 | ||||
| 674 | E | 23.6 | Very low | 25.8 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 71% | 0.71 | 75% | 0.751 | S | S | * | * | trans | 60.1 | 166.8 | 157.1 | -73.6 | 137.3 | -155.9 | 0 | 0 | 117 | ||||
| 675 | E | 23.7 | Very low | 25.7 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | cis | -143.2 | 138.7 | -17 | -118.8 | 178 | 153.4 | 0 | 0 | 105.2 | ||||
| 676 | K | 25 | Very low | 25.9 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | 62 | 161.6 | 82.2 | -135.2 | -146.6 | -178.2 | -141.8 | 0 | 116.4 | E678 | K676-E678 IonicContact NZ-OE1 3.33Å; K676-E678 PolarHBondContact NZ-OE1 2.64Å | |||
| 677 | V | 25.4 | Very low | 26.1 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | 81.4 | 109.3 | -170.3 | -172.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 678 | E | 26.5 | Very low | 26 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 64% | 0.64 | 77% | 0.77 | S | S | * | * | cis | 89.7 | 152.5 | 42.8 | -67.8 | 177.6 | -157.2 | 0 | 0 | 114.4 | K676 | K676-E678 IonicContact NZ-OE1 3.33Å; K676-E678 PolarHBondContact NZ-OE1 2.64Å | ||
| 679 | R | 27 | Very low | 26.2 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 77.5 | 154.2 | 173.3 | -64.3 | -167.1 | 150 | -116 | -10.1 | 116.9 | ||||
| 680 | D | 27.6 | Very low | 26.4 | Very low | 98 Ų | 98 | 152.7 Ų | 152.7 | 52% | 0.524 | 78% | 0.78 | S | S | . | * | cis | -161.1 | 158.4 | -16.6 | -84.8 | -22.9 | 0 | 0 | 0 | 105.2 | ||||
| 681 | E | 30.4 | Very low | 26.9 | Very low | 160 Ų | 160 | 153.2 Ų | 153.2 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | -162.9 | 161 | -14.2 | -102.5 | 173.1 | 140.1 | 0 | 0 | 108.1 | ||||
| 682 | E | 28.9 | Very low | 27.5 | Very low | 202 Ų | 202 | 158.3 Ų | 158.3 | 94% | 0.944 | 80% | 0.796 | S | S | * | * | trans | 37.7 | 143.1 | 163.4 | -56.9 | -164.7 | 139.4 | 0 | 0 | 124.8 | ||||
| 683 | G | 28.7 | Very low | 28 | Very low | 79 Ų | 79 | 158.7 Ų | 158.7 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 149.1 | 110 | 148.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 684 | K | 28 | Very low | 28.7 | Very low | 203 Ų | 203 | 154.5 Ų | 154.5 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -67.1 | 149.8 | 176.3 | -59.5 | 171.2 | 173.5 | -179.8 | 0 | 114.6 | ||||
| 685 | E | 27.4 | Very low | 29.1 | Very low | 193 Ų | 193 | 156.2 Ų | 156.2 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | -168.7 | 176.3 | 102.1 | -106.7 | 176 | -170.2 | 0 | 0 | 112.6 | |||||
| 686 | E | 29.4 | Very low | 29.5 | Very low | 198 Ų | 198 | 157.3 Ų | 157.3 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | -92.1 | 149.1 | -169.4 | -58.9 | 174.3 | 122.9 | 0 | 0 | 113 | ||||
| 687 | G | 27.3 | Very low | 30 | Very low | 77 Ų | 77 | 157.6 Ų | 157.6 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | 173.4 | 99.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 688 | T | 25.6 | Very low | 30.4 | Very low | 142 Ų | 142 | 159.4 Ų | 159.4 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | trans | -29.8 | 124 | 168.4 | -46.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 689 | E | 27.5 | Very low | 30.8 | Very low | 187 Ų | 187 | 161.2 Ų | 161.2 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -171.5 | 112.7 | 145.9 | -113.3 | 165.3 | -145.4 | 0 | 0 | 111.5 | ||||
| 690 | K | 28.6 | Very low | 31.2 | Very low | 205 Ų | 205 | 154.9 Ų | 154.9 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | trans | -168.7 | 85.4 | 163.3 | -90 | -139.6 | 176.7 | -168.1 | 0 | 111.7 | ||||
| 691 | E | 35.3 | Very low | 31.9 | Very low | 195 Ų | 195 | 154 Ų | 154 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -130.5 | 98.3 | 155.2 | -77.5 | -173.2 | 150.3 | 0 | 0 | 107 | ||||
| 692 | E | 35.7 | Very low | 32.2 | Very low | 202 Ų | 202 | 154.4 Ų | 154.4 | 94% | 0.944 | 81% | 0.807 | S | S | * | * | trans | 173.5 | 70.6 | 166.4 | -105.1 | 176.3 | -154.2 | 0 | 0 | 107.8 | ||||
| 693 | A | 33.3 | Very low | 32.6 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -166.9 | 40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 694 | G | 36.8 | Very low | 33.3 | Very low | 58 Ų | 58 | 149.2 Ų | 149.2 | 60% | 0.598 | 77% | 0.77 | S | S | * | * | trans | -136.3 | -7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 695 | E | 32.6 | Very low | 34 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -100.7 | -3.8 | -171.7 | -63 | -172 | 142.6 | 0 | 0 | 114.3 | ||
| 696 | E | 32.7 | Very low | 34.6 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -97.5 | -6.8 | -180 | -66 | -170 | 154.2 | 0 | 0 | 114.6 | ||
| 697 | E | 35.3 | Very low | 35.2 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 77% | 0.771 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -100.7 | -21.1 | 179 | -69.7 | -168.1 | 149.3 | 0 | 0 | 114.6 | S700 T701 | E697-S700 PolarHBondContact O-OG 3.02Å; E697-T701 PolarHBondContact O-OG1 3.39Å |
| 698 | E | 34.6 | Very low | 36.2 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -80 | -22.2 | 177.3 | -71.8 | -161.4 | 154.1 | 0 | 0 | 114.1 | T701 | E698-T701 PolarHBondContact O-OG1 3.34Å |
| 699 | E | 34.3 | Very low | 37.4 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -82.7 | -19.2 | -178.9 | -160.2 | 170.9 | -132.2 | 0 | 0 | 113.1 | ||
| 700 | S | 35.4 | Very low | 38.2 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 50% | 0.503 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -82.8 | -48.6 | 178.2 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | E697 R702 G703 | E697-S700 PolarHBondContact O-OG 3.02Å; S700-R702 VanDerWaalsContact C-N 3.34Å; S700-R702 PolarHBondContact O-N 3.03Å; S700-G703 PolarHBondContact O-N 2.72Å; S700-G703 VanDerWaalsContact O-N 3.11Å |
| 701 | T | 41.5 | Very low | 39.1 | Very low | 80 Ų | 80 | 141.1 Ų | 141.1 | 49% | 0.491 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -59.2 | -41.6 | -178.6 | 42.3 | 0 | 0 | 0 | 0 | 112.8 | E697 E698 G703 E704 E705 | E697-T701 PolarHBondContact O-OG1 3.39Å; E698-T701 PolarHBondContact O-OG1 3.34Å; T701-G703 PolarHBondContact O-N 3.16Å; T701-E704 PolarHBondContact O-N 3.28Å; T701-E704 VanDerWaalsContact O-N 3.1Å; T701-E705 PolarHBondContact O-N 3.11Å |
| 702 | R | 38 | Very low | 39.9 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 63% | 0.634 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -62.9 | -28.4 | 177.2 | -167.4 | 173.9 | -175.9 | 152 | 6.2 | 113.8 | S700 E704 E706 | S700-R702 VanDerWaalsContact C-N 3.34Å; S700-R702 PolarHBondContact O-N 3.03Å; R702-E704 VanDerWaalsContact C-N 3.3Å; R702-E706 IonicContact NE-OE1 3.92Å; R702-E706 PolarHBondContact O-N 3.43Å |
| 703 | G | 37.3 | Very low | 41 | Very low | 34 Ų | 34 | 132.3 Ų | 132.3 | 35% | 0.351 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -80.1 | -5.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S700 T701 | S700-G703 PolarHBondContact O-N 2.72Å; S700-G703 VanDerWaalsContact O-N 3.11Å; T701-G703 PolarHBondContact O-N 3.16Å |
| 704 | E | 43.4 | Very low | 41.7 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 64% | 0.64 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -97.3 | -41.9 | 171.3 | -62.5 | -169.1 | 140.3 | 0 | 0 | 110.8 | T701 R702 E706 R707 E708 | T701-E704 PolarHBondContact O-N 3.28Å; T701-E704 VanDerWaalsContact O-N 3.1Å; R702-E704 VanDerWaalsContact C-N 3.3Å; E704-E706 PolarHBondContact O-N 3.29Å; E704-R707 PolarHBondContact O-N 3.24Å; E704-E708 PolarHBondContact O-N 3.33Å; E704-E708 VanDerWaalsContact O-N 3.17Å |
| 705 | E | 42.4 | Very low | 42.3 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 66% | 0.664 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -59.3 | -44.1 | 174.7 | -67.4 | -171.8 | 148.6 | 0 | 0 | 112.6 | T701 R707 E708 E709 | T701-E705 PolarHBondContact O-N 3.11Å; E705-R707 PolarHBondContact O-N 3.39Å; E705-R707 VanDerWaalsContact O-N 3.14Å; E705-E708 PolarHBondContact O-N 3.35Å; E705-E709 PolarHBondContact O-N 3.44Å |
| 706 | E | 40.2 | Very low | 43.2 | Very low | 120 Ų | 120 | 133 Ų | 133 | 56% | 0.561 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.4 | -14.5 | 177.3 | -72.1 | -178 | -175.1 | 0 | 0 | 113.3 | R702 E704 | R702-E706 IonicContact NE-OE1 3.92Å; R702-E706 PolarHBondContact O-N 3.43Å; E704-E706 PolarHBondContact O-N 3.29Å |
| 707 | R | 40.9 | Very low | 44.2 | Very low | 176 Ų | 176 | 128.1 Ų | 128.1 | 66% | 0.664 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -91.6 | -36.4 | 174.5 | -74.8 | -179.7 | 173.8 | 155.9 | 4.2 | 113.7 | E704 E705 E709 E710 E711 | E704-R707 PolarHBondContact O-N 3.24Å; E705-R707 PolarHBondContact O-N 3.39Å; E705-R707 VanDerWaalsContact O-N 3.14Å; R707-E709 VanDerWaalsContact C-N 3.28Å; R707-E709 PolarHBondContact O-N 3.45Å; R707-E710 PolarHBondContact O-N 3.08Å; R707-E711 PolarHBondContact O-N 3.37Å; R707-E711 VanDerWaalsContact O-N 3.11Å |
| 708 | E | 48.9 | Very low | 44.6 | Very low | 150 Ų | 150 | 127 Ų | 127 | 70% | 0.701 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.8 | -33.4 | 174.7 | -66.6 | -163.4 | 153 | 0 | 0 | 111 | E704 E705 E712 | E704-E708 PolarHBondContact O-N 3.33Å; E704-E708 VanDerWaalsContact O-N 3.17Å; E705-E708 PolarHBondContact O-N 3.35Å; E708-E712 WeakPolarHBondContact O-CB 3.4Å; E708-E712 PolarHBondContact O-N 3.19Å |
| 709 | E | 49.8 | Very low | 45.2 | Very low | 149 Ų | 149 | 124 Ų | 124 | 70% | 0.696 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.5 | -34.5 | 171.3 | -71.3 | -155.4 | 145.7 | 0 | 0 | 113.5 | E705 R707 V713 | E705-E709 PolarHBondContact O-N 3.44Å; R707-E709 VanDerWaalsContact C-N 3.28Å; R707-E709 PolarHBondContact O-N 3.45Å; E709-V713 VanDerWaalsContact O-CG2 3.29Å; E709-V713 WeakPolarHBondContact O-CG2 3.42Å; E709-V713 PolarHBondContact O-N 3.5Å |
| 710 | E | 44.4 | Very low | 45.7 | Very low | 145 Ų | 145 | 122.1 Ų | 122.1 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.9 | -43.3 | 175.2 | -75.7 | -167.8 | 147.2 | 0 | 0 | 112 | R707 V713 E714 | R707-E710 PolarHBondContact O-N 3.08Å; E710-V713 PolarHBondContact O-N 2.96Å; E710-E714 PolarHBondContact O-N 2.87Å; E710-E714 VanDerWaalsContact O-N 3.11Å |
| 711 | E | 48.7 | Very low | 45.8 | Very low | 154 Ų | 154 | 122.6 Ų | 122.6 | 72% | 0.72 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.4 | -38.4 | 175.6 | -72.1 | -162.7 | 163.3 | 0 | 0 | 112.5 | R707 V713 E714 E715 | R707-E711 PolarHBondContact O-N 3.37Å; R707-E711 VanDerWaalsContact O-N 3.11Å; E711-V713 PolarHBondContact O-N 2.93Å; E711-E714 PolarHBondContact O-N 3.27Å; E711-E715 PolarHBondContact O-N 2.91Å |
| 712 | E | 51.2 | Low | 45.8 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 59% | 0.589 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.1 | -21.3 | 174.6 | -100.8 | -124 | -178.9 | 0 | 0 | 113.9 | E708 K716 | E708-E712 WeakPolarHBondContact O-CB 3.4Å; E708-E712 PolarHBondContact O-N 3.19Å; E712-K716 WeakPolarHBondContact O-CG 3.5Å; E712-K716 PolarHBondContact O-NZ 3.49Å; E712-K716 VanDerWaalsContact O-NZ 3.07Å; E712-K716 IonicContact OE2-NZ 3.72Å; E712-K716 PolarHBondContact OE2-NZ 3.45Å |
| 713 | V | 59.7 | Low | 46 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 52% | 0.521 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -86 | -43 | 176.2 | 169.3 | 0 | 0 | 0 | 0 | 111 | E709 E710 E711 K716 V717 | E709-V713 VanDerWaalsContact O-CG2 3.29Å; E709-V713 WeakPolarHBondContact O-CG2 3.42Å; E709-V713 PolarHBondContact O-N 3.5Å; E710-V713 PolarHBondContact O-N 2.96Å; E711-V713 PolarHBondContact O-N 2.93Å; V713-K716 PolarHBondContact O-N 3.36Å; V713-V717 WeakPolarHBondContact O-CG2 3.24Å; V713-V717 PolarHBondContact O-N 3.04Å |
| 714 | E | 46.8 | Very low | 46 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 70% | 0.701 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.9 | -43.9 | 174.7 | -67.7 | -155.1 | 140.5 | 0 | 0 | 111.7 | E710 E711 K716 V717 E718 | E710-E714 PolarHBondContact O-N 2.87Å; E710-E714 VanDerWaalsContact O-N 3.11Å; E711-E714 PolarHBondContact O-N 3.27Å; E714-K716 PolarHBondContact O-N 3.41Å; E714-V717 PolarHBondContact O-N 3.25Å; E714-V717 VanDerWaalsContact O-N 3.08Å; E714-E718 PolarHBondContact O-N 3.11Å; E714-E718 VanDerWaalsContact O-N 3.13Å |
| 715 | E | 49.4 | Very low | 45.6 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 51% | 0.509 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67 | -21.7 | 178.7 | -147.5 | -145.6 | 178.6 | 0 | 0 | 113 | E711 K719 | E711-E715 PolarHBondContact O-N 2.91Å; E715-K719 VanDerWaalsContact CD-CE 3.46Å; E715-K719 WeakPolarHBondContact O-CB 3.42Å; E715-K719 WeakPolarHBondContact O-CD 3.43Å; E715-K719 VanDerWaalsContact O-CG 3.25Å; E715-K719 WeakPolarHBondContact O-CG 3.35Å; E715-K719 PolarHBondContact O-N 3.43Å; E715-K719 WeakPolarHBondContact OE1-CE 3.46Å; E715-K719 IonicContact OE1-NZ 3.99Å; E715-K719 PolarHBondContact OE1-NZ 3.22Å; E715-K719 IonicContact OE2-NZ 2.78Å; E715-K719 PolarHBondContact OE2-NZ 3.16Å |
| 716 | K | 51.9 | Low | 45.5 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 46% | 0.461 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.4 | -44.1 | 169.4 | -85.8 | -177.2 | -163.2 | 79.3 | 0 | 112 | E712 V713 E714 E718 K719 E720 | E712-K716 WeakPolarHBondContact O-CG 3.5Å; E712-K716 PolarHBondContact O-NZ 3.49Å; E712-K716 VanDerWaalsContact O-NZ 3.07Å; E712-K716 IonicContact OE2-NZ 3.72Å; E712-K716 PolarHBondContact OE2-NZ 3.45Å; V713-K716 PolarHBondContact O-N 3.36Å; E714-K716 PolarHBondContact O-N 3.41Å; K716-E718 PolarHBondContact O-N 3.44Å; K716-K719 PolarHBondContact O-N 2.37Å; K716-K719 VanDerWaalsContact O-N 3.15Å; K716-E720 PolarHBondContact O-N 3.47Å |
| 717 | V | 53.6 | Low | 45.3 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 53% | 0.533 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.4 | -37.1 | -177.5 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | V713 E714 T721 | V713-V717 WeakPolarHBondContact O-CG2 3.24Å; V713-V717 PolarHBondContact O-N 3.04Å; E714-V717 PolarHBondContact O-N 3.25Å; E714-V717 VanDerWaalsContact O-N 3.08Å; V717-T721 PolarHBondContact O-N 2.91Å; V717-T721 VanDerWaalsContact O-N 3.13Å; V717-T721 PolarHBondContact O-OG1 3.44Å |
| 718 | E | 43.6 | Very low | 44.9 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 65% | 0.654 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.3 | -40.7 | 170.9 | -66.9 | -155 | 138 | 0 | 0 | 112 | E714 K716 E720 T721 E722 | E714-E718 PolarHBondContact O-N 3.11Å; E714-E718 VanDerWaalsContact O-N 3.13Å; K716-E718 PolarHBondContact O-N 3.44Å; E718-E720 PolarHBondContact O-N 2.89Å; E718-T721 WeakPolarHBondContact CA-OG1 3.48Å; E718-T721 PolarHBondContact O-N 3.34Å; E718-T721 PolarHBondContact O-OG1 3.31Å; E718-T721 VanDerWaalsContact O-OG1 3.13Å; E718-E722 PolarHBondContact O-N 3.12Å |
| 719 | K | 48.2 | Very low | 44.3 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 42% | 0.422 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -72.7 | -20.9 | 179.7 | -75.2 | 171.5 | -172.7 | 168.3 | 0 | 115 | E715 K716 K723 | E715-K719 VanDerWaalsContact CD-CE 3.46Å; E715-K719 WeakPolarHBondContact O-CB 3.42Å; E715-K719 WeakPolarHBondContact O-CD 3.43Å; E715-K719 VanDerWaalsContact O-CG 3.25Å; E715-K719 WeakPolarHBondContact O-CG 3.35Å; E715-K719 PolarHBondContact O-N 3.43Å; E715-K719 WeakPolarHBondContact OE1-CE 3.46Å; E715-K719 IonicContact OE1-NZ 3.99Å; E715-K719 PolarHBondContact OE1-NZ 3.22Å; E715-K719 IonicContact OE2-NZ 2.78Å; E715-K719 PolarHBondContact OE2-NZ 3.16Å; K716-K719 PolarHBondContact O-N 2.37Å; K716-K719 VanDerWaalsContact O-N 3.15Å; K719-K723 WeakPolarHBondContact O-CD 3.36Å; K719-K723 WeakPolarHBondContact O-CG 3.42Å |
| 720 | E | 44.4 | Very low | 43.5 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 63% | 0.631 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -84.1 | -37.5 | 171 | -68.5 | -167.9 | 155.3 | 0 | 0 | 111.2 | K716 E718 K723 E724 | K716-E720 PolarHBondContact O-N 3.47Å; E718-E720 PolarHBondContact O-N 2.89Å; E720-K723 PolarHBondContact O-N 3.2Å; E720-E724 PolarHBondContact O-N 3.18Å |
| 721 | T | 38.1 | Very low | 42.9 | Very low | 83 Ų | 83 | 130.3 Ų | 130.3 | 51% | 0.509 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.1 | -30.3 | 176.7 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | V717 E718 K723 | V717-T721 PolarHBondContact O-N 2.91Å; V717-T721 VanDerWaalsContact O-N 3.13Å; V717-T721 PolarHBondContact O-OG1 3.44Å; E718-T721 WeakPolarHBondContact CA-OG1 3.48Å; E718-T721 PolarHBondContact O-N 3.34Å; E718-T721 PolarHBondContact O-OG1 3.31Å; E718-T721 VanDerWaalsContact O-OG1 3.13Å; T721-K723 VanDerWaalsContact C-N 3.32Å; T721-K723 PolarHBondContact O-N 3.21Å |
| 722 | E | 41.3 | Very low | 42 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 59% | 0.589 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.1 | -32.5 | 167.9 | -78.4 | -161.6 | 141.9 | 0 | 0 | 112.3 | E718 A725 E726 | E718-E722 PolarHBondContact O-N 3.12Å; E722-A725 PolarHBondContact O-N 2.85Å; E722-E726 PolarHBondContact O-N 3.31Å |
| 723 | K | 41.8 | Very low | 41.1 | Very low | 136 Ų | 136 | 129.5 Ų | 129.5 | 59% | 0.591 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.7 | -40.6 | -177.9 | -76.7 | 173.2 | -176.1 | 167.4 | 0 | 113.8 | K719 E720 T721 A725 E726 Q727 | K719-K723 WeakPolarHBondContact O-CD 3.36Å; K719-K723 WeakPolarHBondContact O-CG 3.42Å; E720-K723 PolarHBondContact O-N 3.2Å; T721-K723 VanDerWaalsContact C-N 3.32Å; T721-K723 PolarHBondContact O-N 3.21Å; K723-A725 PolarHBondContact O-N 3.09Å; K723-E726 PolarHBondContact O-N 3.29Å; K723-Q727 PolarHBondContact O-N 2.84Å |
| 724 | E | 36.5 | Very low | 39.8 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 67% | 0.673 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -61 | -34.6 | 174.6 | -66 | -168 | 143.8 | 0 | 0 | 110.8 | E720 E726 Q727 | E720-E724 PolarHBondContact O-N 3.18Å; E724-E726 VanDerWaalsContact C-N 3.31Å; E724-E726 PolarHBondContact O-N 3.35Å; E724-Q727 PolarHBondContact O-N 3.25Å |
| 725 | A | 35.1 | Very low | 38.8 | Very low | 50 Ų | 50 | 130.5 Ų | 130.5 | 41% | 0.413 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -73.9 | -12.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E722 K723 K729 | E722-A725 PolarHBondContact O-N 2.85Å; K723-A725 PolarHBondContact O-N 3.09Å; A725-K729 PolarHBondContact O-NZ 2.94Å |
| 726 | E | 40.6 | Very low | 37.8 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -94.6 | -33.8 | 171.2 | -67.8 | -162.1 | 137.9 | 0 | 0 | 112.4 | E722 K723 E724 E728 K729 | E722-E726 PolarHBondContact O-N 3.31Å; K723-E726 PolarHBondContact O-N 3.29Å; E724-E726 VanDerWaalsContact C-N 3.31Å; E724-E726 PolarHBondContact O-N 3.35Å; E726-E728 VanDerWaalsContact C-N 3.33Å; E726-E728 PolarHBondContact O-N 2.82Å; E726-K729 PolarHBondContact O-N 3.45Å; E726-K729 VanDerWaalsContact O-N 3.1Å |
| 727 | Q | 36.2 | Very low | 36.6 | Very low | 156 Ų | 156 | 129 Ų | 129 | 73% | 0.729 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -64.5 | -31.1 | 177.3 | -76.7 | -167.4 | -35.2 | 0 | 0 | 113.8 | K723 E724 K729 | K723-Q727 PolarHBondContact O-N 2.84Å; E724-Q727 PolarHBondContact O-N 3.25Å; Q727-K729 PolarHBondContact O-N 3.47Å |
| 728 | E | 33.5 | Very low | 35.3 | Very low | 182 Ų | 182 | 130.3 Ų | 130.3 | 85% | 0.85 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 1 | 173.2 | -71 | -160.2 | 142.6 | 0 | 0 | 114.6 | E726 | E726-E728 VanDerWaalsContact C-N 3.33Å; E726-E728 PolarHBondContact O-N 2.82Å |
| 729 | K | 35.5 | Very low | 34.5 | Very low | 158 Ų | 158 | 132 Ų | 132 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -12.3 | -178 | -67.4 | -169.2 | -170.2 | 85.8 | 0 | 116.5 | A725 E726 Q727 | A725-K729 PolarHBondContact O-NZ 2.94Å; E726-K729 PolarHBondContact O-N 3.45Å; E726-K729 VanDerWaalsContact O-N 3.1Å; Q727-K729 PolarHBondContact O-N 3.47Å |
| 730 | E | 34.2 | Very low | 33.7 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -14.2 | -177.5 | -71.7 | -158 | 125.6 | 0 | 0 | 115.2 | D732 | E730-D732 PolarHBondContact O-N 3.16Š|
| 731 | E | 31.6 | Very low | 32.6 | Very low | 192 Ų | 192 | 136.2 Ų | 136.2 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -75.8 | -16.1 | -177.5 | -70 | -151.2 | 133 | 0 | 0 | 115.3 | ||
| 732 | D | 29 | Very low | 32.3 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -106.7 | 50.9 | -173 | -164 | 24.5 | 0 | 0 | 0 | 114.7 | E730 | E730-D732 PolarHBondContact O-N 3.16Š|
| 733 | S | 31.5 | Very low | 31.4 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -161.3 | 46.4 | 162.4 | 47.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 734 | L | 32.5 | Very low | 30.9 | Very low | 184 Ų | 184 | 137.1 Ų | 137.1 | 96% | 0.963 | 79% | 0.785 | S | S | * | * | trans | -114.7 | 101 | 165.6 | -75.2 | 175.3 | 0 | 0 | 0 | 112 | ||||
| 735 | G | 26.9 | Very low | 30.6 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -158.8 | 85 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 736 | A | 28.7 | Very low | 30.1 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 97% | 0.967 | 80% | 0.803 | S | S | * | * | trans | 64.1 | 165.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 737 | G | 25.9 | Very low | 29.9 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | trans | -174 | -145 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 738 | S | 27.5 | Very low | 29.3 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | 99.9 | 154.1 | 174.7 | 81.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 739 | H | 26.6 | Very low | 29.5 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | 78.8 | 133.1 | 172 | -84.1 | -84.4 | 0 | 0 | 0 | 121.3 | ||||
| 740 | L | 29.6 | Very low | 28.9 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 80% | 0.796 | 83% | 0.831 | S | S | * | * | trans | -86.6 | 153.9 | 170.8 | -54.7 | 76.7 | 0 | 0 | 0 | 109.5 | ||||
| 741 | D | 22.7 | Very low | 28.3 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | -161.4 | 164.1 | 115.9 | -115.3 | -32.2 | 0 | 0 | 0 | 111.7 | |||||
| 742 | A | 31.4 | Very low | 28 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -98.5 | 135 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 743 | A | 23 | Very low | 28.1 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -152.1 | 139.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 744 | I | 30.3 | Very low | 28.6 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 86% | 0.862 | 83% | 0.83 | S | S | * | * | trans | -116.4 | 125.4 | 165.4 | -71.9 | 170.6 | 0 | 0 | 0 | 105.7 | ||||
| 745 | P | 31.5 | Very low | 29.2 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 69% | 0.688 | 81% | 0.814 | S | S | * | * | -151.8 | 165.9 | 110.2 | 39.1 | -22.5 | 0 | 0 | 0 | 116.8 | |||||
| 746 | S | 23.5 | Very low | 30.8 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | 53 | 110.1 | 150 | 56 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 747 | G | 35.7 | Very low | 33.5 | Very low | 82 Ų | 82 | 125.9 Ų | 125.9 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -72.3 | 142.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 748 | E | 25.1 | Very low | 36.7 | Very low | 185 Ų | 185 | 123.8 Ų | 123.8 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -106.5 | 156.6 | 150.4 | -72 | -161.2 | 117.9 | 0 | 0 | 109.7 | M750 | E748-M750 PolarHBondContact O-N 2.92Å; E748-M750 VanDerWaalsContact O-N 3.12Å | ||
| 749 | Q | 36.3 | Very low | 40 | Very low | 201 Ų | 201 | 118.3 Ų | 118.3 | 94% | 0.939 | 72% | 0.715 | S | S | * | * | trans | -85.6 | 89.8 | -164.4 | -167 | 169 | 1.2 | 0 | 0 | 112 | ||||
| 750 | M | 23.2 | Very low | 43.2 | Very low | 178 Ų | 178 | 112.8 Ų | 112.8 | 88% | 0.877 | 69% | 0.692 | S | S | * | * | trans | -68.2 | 140.1 | 178.1 | -150.1 | 71.7 | 74.8 | 0 | 0 | 111.7 | E748 | E748-M750 PolarHBondContact O-N 2.92Å; E748-M750 VanDerWaalsContact O-N 3.12Å | ||
| 751 | C | 22.6 | Very low | 46.3 | Very low | 126 Ų | 126 | 109.4 Ų | 109.4 | 85% | 0.851 | 67% | 0.674 | S | S | * | * | trans | -84.2 | 117.3 | -176.6 | -170.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 752 | G | 25 | Very low | 49.8 | Very low | 68 Ų | 68 | 101.3 Ų | 101.3 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | trans | 50.7 | 100.1 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 753 | S | 31.8 | Very low | 52.8 | Low | 116 Ų | 116 | 96.7 Ų | 96.7 | 81% | 0.811 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 150.3 | 143.3 | -176.6 | 0 | 0 | 0 | 0 | 109 | G755 | S753-G755 PolarHBondContact O-N 2.86Å; S753-G755 VanDerWaalsContact O-N 3.13Å |
| 754 | E | 40.6 | Very low | 56.1 | Low | 194 Ų | 194 | 95.6 Ų | 95.6 | 91% | 0.907 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -57.9 | 120.9 | 170.6 | -64.2 | -170.8 | 138.7 | 0 | 0 | 108.8 | ||
| 755 | G | 45.3 | Very low | 59.2 | Low | 61 Ų | 61 | 91.9 Ų | 91.9 | 63% | 0.629 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 125.2 | -157.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S753 R757 | S753-G755 PolarHBondContact O-N 2.86Å; S753-G755 VanDerWaalsContact O-N 3.13Å; G755-R757 PolarHBondContact O-N 3.1Å |
| 756 | S | 59.7 | Low | 62.2 | Low | 102 Ų | 102 | 89.9 Ų | 89.9 | 71% | 0.713 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 116.9 | 165.4 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 757 | R | 86.5 | Confident | 65.5 | Low | 71 Ų | 71 | 85.8 Ų | 85.8 | 27% | 0.268 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 155.7 | -178.9 | -60.7 | 177.6 | -178.4 | -163.1 | -3.9 | 109.8 | P601 G755 V825 S826 | P601-R757 PolarHBondContact O-NH1 3.39Å; G755-R757 PolarHBondContact O-N 3.1Å; R757-V825 HydrophobicContact CB-CG2 4.46Å; R757-V825 CarbonylContact O-C 3.41Å; R757-V825 WeakPolarHBondContact O-CA 2.96Å; R757-S826 PolarHBondContact O-N 3.27Å; R757-S826 PolarHBondContact O-OG 3.11Å |
| 758 | S | 93.9 | Very high | 68.3 | Low | 22 Ų | 22 | 84.4 Ų | 84.4 | 15% | 0.154 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 159.8 | 170.4 | 78.9 | 0 | 0 | 0 | 0 | 112.6 | L760 D761 L762 S826 | S758-L760 PolarHBondContact O-N 3.18Å; S758-L760 PolarHBondContact OG-N 3.41Å; S758-D761 WeakPolarHBondContact CA-OD2 3.35Å; S758-D761 VanDerWaalsContact CB-OD2 3.25Å; S758-D761 WeakPolarHBondContact CB-OD2 3.41Å; S758-D761 PolarHBondContact N-OD2 3.48Å; S758-D761 PolarHBondContact O-N 2.87Å; S758-D761 VanDerWaalsContact O-N 3.07Å; S758-D761 PolarHBondContact OG-N 3.19Å; S758-D761 PolarHBondContact OG-OD2 3.14Å; S758-L762 PolarHBondContact O-N 3.37Å; S758-L762 VanDerWaalsContact O-N 3.17Å; S758-S826 WeakPolarHBondContact CA-O 3.46Å; S758-S826 VanDerWaalsContact CA-OG 3.29Å; S758-S826 WeakPolarHBondContact CA-OG 3.38Å; S758-S826 WeakPolarHBondContact CB-OG 3.47Å |
| 759 | V | 94.9 | Very high | 71.5 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -56.6 | -32.4 | 171.2 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | L762 V763 L804 V825 S826 I827 L919 | V759-L762 PolarHBondContact O-N 3.23Å; V759-V763 WeakPolarHBondContact O-CG2 3.35Å; V759-V763 PolarHBondContact O-N 3.47Å; V759-L804 HydrophobicContact CG1-CD1 3.55Å; V759-V825 HydrophobicContact CG2-CG1 3.95Å; V759-S826 PolarHBondContact N-O 2.93Å; V759-I827 HydrophobicContact CG2-CB 4.35Å; V759-I827 HydrophobicContact CG2-CG1 4.07Å; V759-I827 HydrophobicContact CG2-CG2 4.44Å; V759-L919 HydrophobicContact CG1-CD1 4.05Å; V759-L919 HydrophobicContact CG2-CD1 3.63Å |
| 760 | L | 94.4 | Very high | 74.3 | Confident | 60 Ų | 60 | 74 Ų | 74 | 31% | 0.314 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69 | -36.4 | 177.1 | -178.9 | 59.2 | 0 | 0 | 0 | 111.9 | S758 V763 N764 L831 | S758-L760 PolarHBondContact O-N 3.18Å; S758-L760 PolarHBondContact OG-N 3.41Å; L760-V763 PolarHBondContact O-N 3.45Å; L760-N764 WeakPolarHBondContact O-CB 3.42Å; L760-N764 PolarHBondContact O-N 3.13Å; L760-N764 PolarHBondContact O-ND2 3.49Å; L760-L831 HydrophobicContact CB-CD1 4.2Å; L760-L831 HydrophobicContact CD1-CD1 4.04Å |
| 761 | D | 94.7 | Very high | 77.7 | Confident | 80 Ų | 80 | 73 Ų | 73 | 43% | 0.428 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67 | -39.3 | 175.9 | -54.7 | -53.6 | 0 | 0 | 0 | 111.4 | S758 N764 Y765 | S758-D761 WeakPolarHBondContact CA-OD2 3.35Å; S758-D761 VanDerWaalsContact CB-OD2 3.25Å; S758-D761 WeakPolarHBondContact CB-OD2 3.41Å; S758-D761 PolarHBondContact N-OD2 3.48Å; S758-D761 PolarHBondContact O-N 2.87Å; S758-D761 VanDerWaalsContact O-N 3.07Å; S758-D761 PolarHBondContact OG-N 3.19Å; S758-D761 PolarHBondContact OG-OD2 3.14Å; D761-N764 PolarHBondContact O-N 2.84Å; D761-Y765 VanDerWaalsContact O-CB 3.32Å; D761-Y765 WeakPolarHBondContact O-CB 3.37Å; D761-Y765 PolarHBondContact O-N 2.84Å |
| 762 | L | 95.8 | Very high | 81.1 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 174.8 | -61.1 | -178.7 | 0 | 0 | 0 | 112.2 | L598 F600 P601 S758 V759 F766 L806 V825 | L598-L762 HydrophobicContact CB-CB 4.21Å; L598-L762 HydrophobicContact CD1-CB 4.02Å; F600-L762 HydrophobicContact CE2-CD1 4.49Å; F600-L762 HydrophobicContact CZ-CD1 4.41Å; P601-L762 HydrophobicContact CG-CD2 4.48Å; S758-L762 PolarHBondContact O-N 3.37Å; S758-L762 VanDerWaalsContact O-N 3.17Å; V759-L762 PolarHBondContact O-N 3.23Å; L762-F766 WeakPolarHBondContact O-CB 3.47Å; L762-F766 PolarHBondContact O-N 2.81Å; L762-L806 HydrophobicContact CD1-CD2 3.95Å; L762-V825 HydrophobicContact CD1-CG1 3.83Å; L762-V825 HydrophobicContact CD1-CG2 4.25Å |
| 763 | V | 95 | Very high | 84.4 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | 171.6 | 168.2 | 0 | 0 | 0 | 0 | 111.4 | L598 V759 L760 Y765 F766 L767 L804 L833 | L598-V763 HydrophobicContact CD1-CG2 3.74Å; L598-V763 HydrophobicContact CD2-CG2 4.2Å; V759-V763 WeakPolarHBondContact O-CG2 3.35Å; V759-V763 PolarHBondContact O-N 3.47Å; L760-V763 PolarHBondContact O-N 3.45Å; V763-Y765 VanDerWaalsContact C-N 3.34Å; V763-F766 PolarHBondContact O-N 2.89Å; V763-L767 HydrophobicContact CG1-CD1 4.24Å; V763-L767 WeakPolarHBondContact O-CG 3.36Å; V763-L767 PolarHBondContact O-N 2.97Å; V763-L767 VanDerWaalsContact O-N 3.11Å; V763-L804 HydrophobicContact CG2-CD1 4.37Å; V763-L833 HydrophobicContact CG1-CD1 4.11Å |
| 764 | N | 93.5 | Very high | 87.3 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.1 | -36.7 | 177.4 | -70.1 | -27 | 0 | 0 | 0 | 112 | L760 D761 L767 S768 | L760-N764 WeakPolarHBondContact O-CB 3.42Å; L760-N764 PolarHBondContact O-N 3.13Å; L760-N764 PolarHBondContact O-ND2 3.49Å; D761-N764 PolarHBondContact O-N 2.84Å; N764-L767 CarbonylContact O-C 3.59Å; N764-L767 PolarHBondContact O-N 3.29Å; N764-S768 PolarHBondContact O-N 3.28Å; N764-S768 VanDerWaalsContact O-N 3.1Å |
| 765 | Y | 94.2 | Very high | 89.8 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 36% | 0.357 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 173.6 | 177.1 | -114.7 | 0 | 0 | 0 | 111.7 | A599 P601 P602 D761 V763 L767 S768 | A599-Y765 HydrophobicContact CB-CE1 4.31Å; A599-Y765 WeakPolarHBondContact O-CD1 3.46Å; P601-Y765 HydrophobicContact CB-CD2 4.38Å; P601-Y765 HydrophobicContact CB-CE1 4.39Å; P601-Y765 HydrophobicContact CB-CE2 4.18Å; P601-Y765 HydrophobicContact CG-CD1 3.81Å; P601-Y765 HydrophobicContact CG-CD2 3.97Å; P601-Y765 HydrophobicContact CG-CE1 4.07Å; P601-Y765 HydrophobicContact CG-CE2 4.22Å; P601-Y765 HydrophobicContact CG-CG 3.76Å; P602-Y765 WeakPolarHBondContact CD-OH 3.33Å; D761-Y765 VanDerWaalsContact O-CB 3.32Å; D761-Y765 WeakPolarHBondContact O-CB 3.37Å; D761-Y765 PolarHBondContact O-N 2.84Å; V763-Y765 VanDerWaalsContact C-N 3.34Å; Y765-L767 PolarHBondContact O-N 2.95Å; Y765-S768 VanDerWaalsContact O-CB 3.31Å; Y765-S768 WeakPolarHBondContact O-CB 3.39Å; Y765-S768 PolarHBondContact O-N 3.16Å; Y765-S768 PolarHBondContact O-OG 2.89Å |
| 766 | F | 94.4 | Very high | 92.2 | Very high | 63 Ų | 63 | 64.9 Ų | 64.9 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.7 | -28.7 | 175.4 | 178.5 | -92.4 | 0 | 0 | 0 | 113.4 | I574 L596 L598 L762 V763 | I574-F766 HydrophobicContact CD1-CE1 3.59Å; I574-F766 HydrophobicContact CD1-CZ 3.91Å; L596-F766 HydrophobicContact CD1-CE1 4.39Å; L596-F766 HydrophobicContact CD2-CE1 3.86Å; L596-F766 HydrophobicContact CD2-CZ 4.03Å; L598-F766 HydrophobicContact CD2-CB 3.81Å; L598-F766 HydrophobicContact CD2-CD1 4.48Å; L598-F766 HydrophobicContact CD2-CD2 4.26Å; L598-F766 HydrophobicContact CD2-CG 3.95Å; L762-F766 WeakPolarHBondContact O-CB 3.47Å; L762-F766 PolarHBondContact O-N 2.81Å; V763-F766 PolarHBondContact O-N 2.89Å |
| 767 | L | 93.8 | Very high | 93.7 | Very high | 27 Ų | 27 | 65.1 Ų | 65.1 | 14% | 0.141 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 9.2 | 176 | -59.5 | 177.5 | 0 | 0 | 0 | 113.7 | V763 N764 Y765 V793 L795 P834 | V763-L767 HydrophobicContact CG1-CD1 4.24Å; V763-L767 WeakPolarHBondContact O-CG 3.36Å; V763-L767 PolarHBondContact O-N 2.97Å; V763-L767 VanDerWaalsContact O-N 3.11Å; N764-L767 CarbonylContact O-C 3.59Å; N764-L767 PolarHBondContact O-N 3.29Å; Y765-L767 PolarHBondContact O-N 2.95Å; L767-V793 HydrophobicContact CD2-CG1 4.13Å; L767-L795 HydrophobicContact CD1-CD1 4.18Å; L767-L795 HydrophobicContact CD1-CG 4.4Å; L767-L795 HydrophobicContact CD2-CD1 4.48Å; L767-L795 HydrophobicContact CD2-CG 4.03Å; L767-P834 HydrophobicContact CD1-CB 3.97Å; L767-P834 HydrophobicContact CD1-CG 4.1Å |
| 768 | S | 93.1 | Very high | 94.1 | Very high | 52 Ų | 52 | 63.9 Ų | 63.9 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -75.2 | 146.8 | -178.3 | 69.1 | 0 | 0 | 0 | 0 | 112.3 | N764 Y765 | N764-S768 PolarHBondContact O-N 3.28Å; N764-S768 VanDerWaalsContact O-N 3.1Å; Y765-S768 VanDerWaalsContact O-CB 3.31Å; Y765-S768 WeakPolarHBondContact O-CB 3.39Å; Y765-S768 PolarHBondContact O-N 3.16Å; Y765-S768 PolarHBondContact O-OG 2.89Å |
| 769 | P | 93.5 | Very high | 94.1 | Very high | 80 Ų | 80 | 69 Ų | 69 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | trans | -72.8 | 129.2 | 179.4 | 29.1 | -34.2 | 0 | 0 | 0 | 111.4 | K791 V792 | P769-K791 WeakPolarHBondContact CA-O 3.33Å; P769-V792 HydrophobicContact CB-CG2 4.35Å | ||
| 770 | E | 94.1 | Very high | 94.1 | Very high | 88 Ų | 88 | 69 Ų | 69 | 41% | 0.411 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 135.8 | -176.4 | -177.5 | -179.5 | -174.6 | 0 | 0 | 110.9 | L772 K791 | E770-L772 HydrophobicContact CG-CD2 4.39Å; E770-K791 HydrophobicContact CB-CB 4.28Å; E770-K791 HydrophobicContact CB-CD 4.45Å; E770-K791 PolarHBondContact N-O 3.38Å; E770-K791 PolarHBondContact O-N 3.1Å; E770-K791 WeakPolarHBondContact OE2-CD 3.5Å; E770-K791 WeakPolarHBondContact OE2-CE 3.41Å; E770-K791 IonicContact OE2-NZ 3.31Å; E770-K791 PolarHBondContact OE2-NZ 3.33Å |
| 771 | K | 94.3 | Very high | 94.1 | Very high | 156 Ų | 156 | 74 Ų | 74 | 68% | 0.678 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 108.7 | 179 | -68.3 | -172.3 | 177.2 | -175.6 | 0 | 111 | T773 | K771-T773 PolarHBondContact O-N 3.32Å |
| 772 | L | 94.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 74 Ų | 74 | 12% | 0.12 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 93.5 | 177.5 | -62.1 | -176 | 0 | 0 | 0 | 109.1 | I578 E770 N776 D788 A789 K791 | I578-L772 HydrophobicContact CD1-CD1 4.32Å; I578-L772 HydrophobicContact CG2-CD1 4.04Å; E770-L772 HydrophobicContact CG-CD2 4.39Å; L772-N776 CarbonylContact C-O 3.39Å; L772-N776 WeakPolarHBondContact CA-O 3.5Å; L772-N776 VanDerWaalsContact CB-O 3.3Å; L772-N776 WeakPolarHBondContact CB-O 3.44Å; L772-D788 VanDerWaalsContact O-CA 3.32Å; L772-D788 WeakPolarHBondContact O-CA 3.08Å; L772-A789 HydrophobicContact CB-CB 4.15Å; L772-A789 HydrophobicContact CD1-CB 4.44Å; L772-A789 PolarHBondContact N-O 2.95Å; L772-A789 PolarHBondContact O-N 2.97Å; L772-K791 HydrophobicContact CD1-CB 4.03Å; L772-K791 HydrophobicContact CG-CB 4.14Å |
| 773 | T | 94.1 | Very high | 94 | Very high | 63 Ų | 63 | 75.5 Ų | 75.5 | 39% | 0.387 | 38% | 0.38 | S | S | . | . | trans | -136.4 | 173.4 | -174.7 | -172.6 | 0 | 0 | 0 | 0 | 111.3 | K771 E775 N776 D788 | K771-T773 PolarHBondContact O-N 3.32Å; T773-E775 PolarHBondContact O-N 3.05Å; T773-N776 CarbonylContact O-C 3.57Å; T773-N776 WeakPolarHBondContact O-CA 3.45Å; T773-N776 PolarHBondContact O-N 2.87Å; T773-D788 VanDerWaalsContact CB-OD2 3.22Å; T773-D788 WeakPolarHBondContact CB-OD2 3.38Å; T773-D788 VanDerWaalsContact OG1-CG 3.32Å; T773-D788 PolarHBondContact OG1-OD1 3.28Å; T773-D788 PolarHBondContact OG1-OD2 2.96Å | ||
| 774 | A | 93.2 | Very high | 93.9 | Very high | 52 Ų | 52 | 79 Ų | 79 | 43% | 0.43 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | 52.5 | -111.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R777 | A774-R777 PolarHBondContact O-NE 2.85Å; A774-R777 PolarHBondContact O-NH2 3.48Å |
| 775 | E | 93.1 | Very high | 94 | Very high | 160 Ų | 160 | 77.2 Ų | 77.2 | 75% | 0.748 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -74.9 | -24.9 | 175.6 | 68.6 | -70.1 | 163.4 | 0 | 0 | 113.5 | T773 | T773-E775 PolarHBondContact O-N 3.05Š|
| 776 | N | 94.7 | Very high | 94.1 | Very high | 97 Ų | 97 | 77.1 Ų | 77.1 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -97.8 | 26.3 | -177.4 | -66.6 | -63.1 | 0 | 0 | 0 | 113.1 | L772 T773 | L772-N776 CarbonylContact C-O 3.39Å; L772-N776 WeakPolarHBondContact CA-O 3.5Å; L772-N776 VanDerWaalsContact CB-O 3.3Å; L772-N776 WeakPolarHBondContact CB-O 3.44Å; T773-N776 CarbonylContact O-C 3.57Å; T773-N776 WeakPolarHBondContact O-CA 3.45Å; T773-N776 PolarHBondContact O-N 2.87Å |
| 777 | R | 92.6 | Very high | 94.1 | Very high | 108 Ų | 108 | 76.4 Ų | 76.4 | 41% | 0.408 | 41% | 0.405 | S | S | . | . | trans | -64.9 | 144.8 | -179.7 | -86.1 | 177.8 | -69.8 | 154.2 | -1 | 113 | A774 L786 Q787 D788 | A774-R777 PolarHBondContact O-NE 2.85Å; A774-R777 PolarHBondContact O-NH2 3.48Å; R777-L786 HydrophobicContact CB-CB 4.17Å; R777-Q787 WeakPolarHBondContact CB-O 3.34Å; R777-D788 WeakPolarHBondContact CD-OD1 3.36Å; R777-D788 VanDerWaalsContact CG-OD1 3.24Å; R777-D788 WeakPolarHBondContact CG-OD1 3.39Å | ||
| 778 | Y | 93.8 | Very high | 94.2 | Very high | 45 Ų | 45 | 78.2 Ų | 78.2 | 18% | 0.176 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 129 | 177.4 | 171 | -126.1 | 0 | 0 | 0 | 111.2 | I578 C580 S587 C780 L786 Q787 A789 | I578-Y778 HydrophobicContact CD1-CD2 4.45Å; I578-Y778 HydrophobicContact CG2-CD1 3.73Å; I578-Y778 HydrophobicContact CG2-CD2 4.05Å; I578-Y778 HydrophobicContact CG2-CE1 4.02Å; I578-Y778 HydrophobicContact CG2-CE2 4.35Å; I578-Y778 HydrophobicContact CG2-CG 3.74Å; C580-Y778 HydrophobicContact CB-CD1 4.45Å; C580-Y778 HydrophobicContact CB-CE1 4.47Å; S587-Y778 PolarHBondContact OG-OH 3.45Å; S587-Y778 VanDerWaalsContact OG-OH 3.06Å; Y778-C780 HydrophobicContact CD1-CB 3.92Å; Y778-C780 HydrophobicContact CE1-CB 3.76Å; Y778-C780 PolarHBondContact O-N 3.36Å; Y778-L786 WeakPolarHBondContact O-CA 2.98Å; Y778-Q787 PolarHBondContact N-O 3.27Å; Y778-Q787 PolarHBondContact O-N 3.26Å; Y778-A789 HydrophobicContact CD1-CB 3.97Å; Y778-A789 HydrophobicContact CG-CB 4.14Å |
| 779 | Y | 95.2 | Very high | 94.3 | Very high | 130 Ų | 130 | 75.8 Ų | 75.8 | 51% | 0.51 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 102.9 | 167.9 | -174.4 | -96.2 | 0 | 0 | 0 | 109.7 | E781 L786 | Y779-E781 HydrophobicContact CE1-CG 4.43Å; Y779-L786 HydrophobicContact CD2-CD2 4.33Å; Y779-L786 HydrophobicContact CD2-CG 4.48Å |
| 780 | C | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 111.6 | -179.7 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | C580 Y778 S782 C783 A784 S785 Q787 | C580-C780 HydrophobicContact CB-CB 4.18Å; C580-C780 VanDerWaalsContact SG-SG 3.66Å; Y778-C780 HydrophobicContact CD1-CB 3.92Å; Y778-C780 HydrophobicContact CE1-CB 3.76Å; Y778-C780 PolarHBondContact O-N 3.36Å; C780-S782 VanDerWaalsContact C-N 3.26Å; C780-S782 PolarHBondContact O-N 3.17Å; C780-C783 HydrophobicContact CB-CB 4.12Å; C780-C783 CarbonylContact O-C 3.55Å; C780-C783 WeakPolarHBondContact O-CA 3.41Å; C780-C783 PolarHBondContact O-N 3.24Å; C780-A784 PolarHBondContact O-N 3.29Å; C780-S785 PolarHBondContact N-O 3.28Å; C780-S785 PolarHBondContact O-N 3.01Å; C780-Q787 HydrophobicContact CB-CB 4.47Å; C780-Q787 HydrophobicContact CB-CG 4.28Å |
| 781 | E | 94.2 | Very high | 94.5 | Very high | 164 Ų | 164 | 73.9 Ų | 73.9 | 77% | 0.766 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -56.6 | -39.5 | 177.7 | -62 | -179.2 | 159.9 | 0 | 0 | 112.2 | Y779 C783 A784 | Y779-E781 HydrophobicContact CE1-CG 4.43Å; E781-C783 PolarHBondContact O-N 3.08Å; E781-C783 VanDerWaalsContact O-N 3.17Å; E781-A784 PolarHBondContact O-N 3.36Å; E781-A784 VanDerWaalsContact O-N 3.07Å |
| 782 | S | 93.8 | Very high | 94.5 | Very high | 80 Ų | 80 | 68.9 Ų | 68.9 | 56% | 0.559 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -64.4 | -16.1 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 114.1 | C780 | C780-S782 VanDerWaalsContact C-N 3.26Å; C780-S782 PolarHBondContact O-N 3.17Å |
| 783 | C | 93.6 | Very high | 94.5 | Very high | 33 Ų | 33 | 68.7 Ų | 68.7 | 22% | 0.223 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -112.7 | -1.5 | 174.2 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | C780 E781 S785 Q787 | C780-C783 HydrophobicContact CB-CB 4.12Å; C780-C783 CarbonylContact O-C 3.55Å; C780-C783 WeakPolarHBondContact O-CA 3.41Å; C780-C783 PolarHBondContact O-N 3.24Å; E781-C783 PolarHBondContact O-N 3.08Å; E781-C783 VanDerWaalsContact O-N 3.17Å; C783-S785 WeakPolarHBondContact CB-OG 3.46Å; C783-S785 WeakPolarHBondContact O-CB 3.47Å; C783-S785 PolarHBondContact O-N 3.03Å; C783-S785 PolarHBondContact O-OG 3.33Å; C783-Q787 HydrophobicContact CB-CG 3.91Å |
| 784 | A | 94 | Very high | 94.5 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 60% | 0.595 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.3 | 35.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C780 E781 | C780-A784 PolarHBondContact O-N 3.29Å; E781-A784 PolarHBondContact O-N 3.36Å; E781-A784 VanDerWaalsContact O-N 3.07Å |
| 785 | S | 94.3 | Very high | 94.5 | Very high | 37 Ų | 37 | 65.4 Ų | 65.4 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 162.3 | -169.2 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | C780 C783 Q787 | C780-S785 PolarHBondContact N-O 3.28Å; C780-S785 PolarHBondContact O-N 3.01Å; C783-S785 WeakPolarHBondContact CB-OG 3.46Å; C783-S785 WeakPolarHBondContact O-CB 3.47Å; C783-S785 PolarHBondContact O-N 3.03Å; C783-S785 PolarHBondContact O-OG 3.33Å; S785-Q787 PolarHBondContact O-N 3.39Å; S785-Q787 PolarHBondContact OG-NE2 2.7Å |
| 786 | L | 96.1 | Very high | 94.5 | Very high | 89 Ų | 89 | 59.6 Ų | 59.6 | 47% | 0.466 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 115 | 172 | -69.5 | 172.9 | 0 | 0 | 0 | 110.8 | R777 Y778 Y779 | R777-L786 HydrophobicContact CB-CB 4.17Å; Y778-L786 WeakPolarHBondContact O-CA 2.98Å; Y779-L786 HydrophobicContact CD2-CD2 4.33Å; Y779-L786 HydrophobicContact CD2-CG 4.48Å |
| 787 | Q | 95.4 | Very high | 94.4 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 154.4 | -177.2 | -63.3 | -62.3 | -28.5 | 0 | 0 | 111 | C582 R777 Y778 C780 C783 S785 | C582-Q787 HydrophobicContact CB-CB 4.44Å; C582-Q787 HydrophobicContact CB-CG 4.07Å; C582-Q787 VanDerWaalsContact CB-OE1 3.3Å; R777-Q787 WeakPolarHBondContact CB-O 3.34Å; Y778-Q787 PolarHBondContact N-O 3.27Å; Y778-Q787 PolarHBondContact O-N 3.26Å; C780-Q787 HydrophobicContact CB-CB 4.47Å; C780-Q787 HydrophobicContact CB-CG 4.28Å; C783-Q787 HydrophobicContact CB-CG 3.91Å; S785-Q787 PolarHBondContact O-N 3.39Å; S785-Q787 PolarHBondContact OG-NE2 2.7Å |
| 788 | D | 96.1 | Very high | 94.4 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | trans | -69 | 138.1 | 167.2 | -82.9 | 35 | 0 | 0 | 0 | 109.7 | L581 L772 T773 R777 | L581-D788 WeakPolarHBondContact CB-O 3.36Å; L581-D788 HydrophobicContact CD1-CB 4.28Å; L581-D788 PolarHBondContact N-O 3.37Å; L772-D788 VanDerWaalsContact O-CA 3.32Å; L772-D788 WeakPolarHBondContact O-CA 3.08Å; T773-D788 VanDerWaalsContact CB-OD2 3.22Å; T773-D788 WeakPolarHBondContact CB-OD2 3.38Å; T773-D788 VanDerWaalsContact OG1-CG 3.32Å; T773-D788 PolarHBondContact OG1-OD1 3.28Å; T773-D788 PolarHBondContact OG1-OD2 2.96Å; R777-D788 WeakPolarHBondContact CD-OD1 3.36Å; R777-D788 VanDerWaalsContact CG-OD1 3.24Å; R777-D788 WeakPolarHBondContact CG-OD1 3.39Å | ||
| 789 | A | 95.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 159.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | I578 C579 L772 Y778 | I578-A789 HydrophobicContact CG2-CB 3.74Å; C579-A789 CarbonylContact O-C 3.59Å; C579-A789 WeakPolarHBondContact O-CA 3.21Å; C579-A789 VanDerWaalsContact O-CB 3.24Å; C579-A789 WeakPolarHBondContact O-CB 3.34Å; L772-A789 HydrophobicContact CB-CB 4.15Å; L772-A789 HydrophobicContact CD1-CB 4.44Å; L772-A789 PolarHBondContact N-O 2.95Å; L772-A789 PolarHBondContact O-N 2.97Å; Y778-A789 HydrophobicContact CD1-CB 3.97Å; Y778-A789 HydrophobicContact CG-CB 4.14Å |
| 790 | E | 96.5 | Very high | 94.4 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.5 | 172.2 | -174 | 162.3 | -143.3 | 0 | 0 | 109.6 | I578 C579 L581 V792 | I578-E790 WeakPolarHBondContact CA-O 3.26Å; C579-E790 PolarHBondContact N-O 2.82Å; C579-E790 PolarHBondContact O-N 3.01Å; L581-E790 HydrophobicContact CD2-CB 4.4Å; E790-V792 HydrophobicContact CG-CG2 4.32Å |
| 791 | K | 95.4 | Very high | 94.5 | Very high | 61 Ų | 61 | 51.3 Ų | 51.3 | 27% | 0.265 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.3 | 178.8 | 170.2 | -173.8 | 156.9 | -157.7 | 0 | 108.7 | T576 R577 I578 P769 E770 L772 | T576-K791 HydrophobicContact CG2-CD 4.46Å; T576-K791 HydrophobicContact CG2-CG 3.98Å; R577-K791 CarbonylContact O-C 3.6Å; R577-K791 WeakPolarHBondContact O-CA 3.4Å; I578-K791 HydrophobicContact CG1-CB 4.29Å; I578-K791 HydrophobicContact CG1-CG 4.35Å; P769-K791 WeakPolarHBondContact CA-O 3.33Å; E770-K791 HydrophobicContact CB-CB 4.28Å; E770-K791 HydrophobicContact CB-CD 4.45Å; E770-K791 PolarHBondContact N-O 3.38Å; E770-K791 PolarHBondContact O-N 3.1Å; E770-K791 WeakPolarHBondContact OE2-CD 3.5Å; E770-K791 WeakPolarHBondContact OE2-CE 3.41Å; E770-K791 IonicContact OE2-NZ 3.31Å; E770-K791 PolarHBondContact OE2-NZ 3.33Å; L772-K791 HydrophobicContact CD1-CB 4.03Å; L772-K791 HydrophobicContact CG-CB 4.14Å |
| 792 | V | 94.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.6 | 178.4 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | T576 R577 P769 E790 | T576-V792 WeakPolarHBondContact CA-O 3.45Å; R577-V792 PolarHBondContact N-O 3.44Å; R577-V792 PolarHBondContact O-N 2.97Å; P769-V792 HydrophobicContact CB-CG2 4.35Å; E790-V792 HydrophobicContact CG-CG2 4.32Å |
| 793 | V | 94.2 | Very high | 94.9 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 11% | 0.109 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121.7 | -178.8 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | I574 L767 | I574-V793 HydrophobicContact CD1-CG1 3.41Å; I574-V793 VanDerWaalsContact CD1-CG1 3.41Å; I574-V793 HydrophobicContact CG1-CG1 3.61Å; L767-V793 HydrophobicContact CD2-CG1 4.13Å |
| 794 | E | 93.6 | Very high | 95.1 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144 | 175.6 | -71.8 | -171.1 | 118.3 | 0 | 0 | 111.5 | I574 V575 R577 S796 A836 G837 | I574-E794 CarbonylContact C-O 3.43Å; I574-E794 WeakPolarHBondContact CA-O 3.38Å; I574-E794 WeakPolarHBondContact CG1-O 3.34Å; V575-E794 HydrophobicContact CG1-CB 3.99Å; V575-E794 WeakPolarHBondContact CG1-O 3.39Å; V575-E794 PolarHBondContact N-O 3.01Å; V575-E794 PolarHBondContact O-N 3.36Å; R577-E794 IonicContact CZ-OE2 2.76Å; R577-E794 IonicContact NH1-OE2 2.74Å; R577-E794 PolarHBondContact NH1-OE2 3.42Å; R577-E794 IonicContact NH2-OE2 3.15Å; R577-E794 PolarHBondContact NH2-OE2 2.95Å; E794-S796 PolarHBondContact O-N 3.15Å; E794-A836 HydrophobicContact CB-CB 3.94Å; E794-A836 HydrophobicContact CG-CB 4.43Å; E794-A836 VanDerWaalsContact OE1-CA 3.26Å; E794-A836 WeakPolarHBondContact OE1-CA 3.48Å; E794-G837 PolarHBondContact OE1-N 3.03Å |
| 795 | L | 94 | Very high | 95.3 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 107.1 | 169 | -61.9 | 173.1 | 0 | 0 | 0 | 109.6 | I574 F593 L596 L767 L833 L835 A836 | I574-L795 HydrophobicContact CB-CD2 4.03Å; I574-L795 HydrophobicContact CD1-CD2 3.81Å; I574-L795 HydrophobicContact CG1-CD2 3.85Å; F593-L795 HydrophobicContact CE1-CD2 3.62Å; F593-L795 HydrophobicContact CZ-CD2 3.85Å; L596-L795 HydrophobicContact CD1-CD1 4.02Å; L596-L795 HydrophobicContact CD1-CD2 4.19Å; L596-L795 HydrophobicContact CD2-CD2 4.15Å; L767-L795 HydrophobicContact CD1-CD1 4.18Å; L767-L795 HydrophobicContact CD1-CG 4.4Å; L767-L795 HydrophobicContact CD2-CD1 4.48Å; L767-L795 HydrophobicContact CD2-CG 4.03Å; L795-L833 HydrophobicContact CD1-CD1 3.62Å; L795-L833 HydrophobicContact CD1-CD2 3.92Å; L795-L833 HydrophobicContact CD1-CG 3.77Å; L795-L835 HydrophobicContact CB-CD2 3.73Å; L795-L835 WeakPolarHBondContact O-CA 3.39Å; L795-A836 PolarHBondContact O-N 2.88Å |
| 796 | S | 92.4 | Very high | 95.4 | Very high | 37 Ų | 37 | 33 Ų | 33 | 26% | 0.259 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -33.7 | 178.3 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | K573 E590 E794 | K573-S796 WeakPolarHBondContact CB-OG 3.43Å; K573-S796 PolarHBondContact O-N 3.47Å; K573-S796 PolarHBondContact O-OG 2.84Å; E590-S796 WeakPolarHBondContact OE1-CB 3.5Å; E590-S796 PolarHBondContact OE1-OG 2.85Å; E794-S796 PolarHBondContact O-N 3.15Å |
| 797 | Q | 92 | Very high | 95.3 | Very high | 103 Ų | 103 | 30.9 Ų | 30.9 | 48% | 0.481 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 122 | 176.2 | -174 | 176.8 | -8.1 | 0 | 0 | 111.1 | G572 K573 | G572-Q797 WeakPolarHBondContact CA-O 3.26Å; K573-Q797 HydrophobicContact CB-CB 3.86Å; K573-Q797 HydrophobicContact CD-CB 4.23Å; K573-Q797 HydrophobicContact CG-CB 4.15Å; K573-Q797 PolarHBondContact N-O 3.28Å; K573-Q797 PolarHBondContact O-N 3.23Å; K573-Q797 VanDerWaalsContact O-N 3.15Å |
| 798 | G | 92.6 | Very high | 95.3 | Very high | 11 Ų | 11 | 29 Ų | 29 | 11% | 0.113 | 15% | 0.146 | C | C | . | . | trans | -80.1 | 140.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y843 | G798-Y843 VanDerWaalsContact C-OH 3.32Å; G798-Y843 WeakPolarHBondContact CA-OH 3.21Å | ||
| 799 | P | 95.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | trans | -76.2 | 164.6 | 178.9 | 32.9 | -38.2 | 0 | 0 | 0 | 112.9 | F570 F593 Y801 L802 Y843 | F570-P799 VanDerWaalsContact O-CB 3.28Å; F570-P799 WeakPolarHBondContact O-CB 3.35Å; F593-P799 HydrophobicContact CE2-CG 4.15Å; F593-P799 HydrophobicContact CZ-CG 4.48Å; P799-Y801 VanDerWaalsContact CB-O 3.28Å; P799-Y801 WeakPolarHBondContact CB-O 3.49Å; P799-Y801 WeakPolarHBondContact CG-O 3.21Å; P799-L802 HydrophobicContact CG-CB 4.09Å; P799-L802 HydrophobicContact CG-CD1 4.06Å; P799-Y843 WeakPolarHBondContact O-CE1 3.18Å; P799-Y843 PolarHBondContact O-OH 3.01Å | ||
| 800 | R | 94.6 | Very high | 94.9 | Very high | 90 Ų | 90 | 31.9 Ų | 31.9 | 34% | 0.34 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -66.4 | -39.3 | 178.1 | -174.5 | -172.7 | -176.6 | 114.5 | -3.3 | 112 | D464 K568 M569 R922 Q923 | D464-R800 VanDerWaalsContact CG-NE 3.32Å; D464-R800 IonicContact OD1-CZ 3.76Å; D464-R800 IonicContact OD1-NE 3.02Å; D464-R800 IonicContact OD1-NH2 2.71Å; D464-R800 PolarHBondContact OD1-NH2 3.44Å; D464-R800 IonicContact OD2-CZ 2.86Å; D464-R800 VanDerWaalsContact OD2-CZ 3.27Å; D464-R800 IonicContact OD2-NE 2.6Å; D464-R800 PolarHBondContact OD2-NE 2.89Å; D464-R800 IonicContact OD2-NH2 2.96Å; D464-R800 PolarHBondContact OD2-NH2 3.4Å; K568-R800 WeakPolarHBondContact O-CB 3.48Å; M569-R800 CarbonylContact O-C 3.52Å; M569-R800 WeakPolarHBondContact O-CB 3.34Å; M569-R800 PolarHBondContact O-N 3.33Å; R800-R922 VanDerWaalsContact CG-CZ 3.41Å; R800-R922 VanDerWaalsContact CG-NH1 3.3Å; R800-R922 PolarHBondContact O-NH1 2.89Å; R800-Q923 WeakPolarHBondContact O-CB 3.38Å; R800-Q923 PolarHBondContact O-N 3.39Å |
| 801 | Y | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.7 | 160.9 | -68.4 | -82.3 | 0 | 0 | 0 | 109.3 | A462 S463 D464 M569 F570 P799 G868 Y921 R922 | A462-Y801 VanDerWaalsContact C-OH 3.25Å; A462-Y801 HydrophobicContact CB-CD1 4.37Å; A462-Y801 HydrophobicContact CB-CE1 3.82Å; A462-Y801 HydrophobicContact CB-CE2 4.09Å; S463-Y801 PolarHBondContact N-OH 3.16Å; D464-Y801 HydrophobicContact CB-CE2 3.9Å; D464-Y801 PolarHBondContact N-OH 3Å; M569-Y801 HydrophobicContact CB-CD2 4.39Å; M569-Y801 PolarHBondContact O-N 3.01Å; M569-Y801 HydrophobicContact SD-CE2 4.27Å; F570-Y801 HydrophobicContact CD1-CG 4.48Å; F570-Y801 HydrophobicContact CE1-CD2 4.01Å; F570-Y801 HydrophobicContact CE1-CG 4.1Å; P799-Y801 VanDerWaalsContact CB-O 3.28Å; P799-Y801 WeakPolarHBondContact CB-O 3.49Å; P799-Y801 WeakPolarHBondContact CG-O 3.21Å; Y801-G868 PolarHBondContact OH-O 2.57Å; Y801-Y921 CarbonylContact C-O 3.53Å; Y801-Y921 WeakPolarHBondContact CA-O 3.42Å; Y801-R922 HydrophobicContact CD1-CB 4.12Å; Y801-R922 HydrophobicContact CE1-CB 3.98Å; Y801-R922 HydrophobicContact CE1-CG 4.18Å; Y801-R922 VanDerWaalsContact CZ-CD 3.44Å |
| 802 | L | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.6 | 171.6 | 176.2 | 72 | 0 | 0 | 0 | 108.9 | F593 L596 P799 L804 L831 L833 Y843 Y921 | F593-L802 HydrophobicContact CE2-CD1 4.23Å; L596-L802 HydrophobicContact CD1-CD1 4.01Å; L596-L802 HydrophobicContact CG-CD1 4.22Å; P799-L802 HydrophobicContact CG-CB 4.09Å; P799-L802 HydrophobicContact CG-CD1 4.06Å; L802-L804 HydrophobicContact CD1-CD2 3.99Å; L802-L804 HydrophobicContact CD2-CD1 4.3Å; L802-L804 HydrophobicContact CD2-CD2 3.89Å; L802-L804 HydrophobicContact CD2-CG 4.17Å; L802-L804 HydrophobicContact CG-CD2 3.79Å; L802-L804 HydrophobicContact CG-CG 4.1Å; L802-L831 HydrophobicContact CD2-CD2 3.96Å; L802-L833 HydrophobicContact CD1-CD2 4.35Å; L802-L833 HydrophobicContact CD2-CD1 3.89Å; L802-L833 HydrophobicContact CD2-CD2 4.1Å; L802-L833 HydrophobicContact CD2-CG 4.49Å; L802-Y843 HydrophobicContact CB-CD1 3.83Å; L802-Y843 HydrophobicContact CB-CE1 3.62Å; L802-Y843 HydrophobicContact CD2-CD1 4.47Å; L802-Y921 PolarHBondContact N-O 2.87Å; L802-Y921 PolarHBondContact O-N 3.27Å |
| 803 | I | 98.1 | Very high | 94 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 130.4 | 170.4 | -58.3 | 166.2 | 0 | 0 | 0 | 107.8 | L525 L529 F570 D595 L596 V918 L919 F920 | L525-I803 HydrophobicContact CD2-CD1 4.27Å; L525-I803 HydrophobicContact CD2-CG2 3.96Å; L529-I803 HydrophobicContact CD1-CD1 3.79Å; F570-I803 HydrophobicContact CB-CD1 4.36Å; F570-I803 HydrophobicContact CD1-CD1 3.6Å; F570-I803 HydrophobicContact CD1-CG1 4.12Å; F570-I803 HydrophobicContact CE1-CD1 4.17Å; F570-I803 HydrophobicContact CG-CD1 4.12Å; D595-I803 CarbonylContact C-O 3.53Å; D595-I803 VanDerWaalsContact CA-O 3.3Å; D595-I803 WeakPolarHBondContact CA-O 3.25Å; D595-I803 HydrophobicContact CB-CB 3.94Å; D595-I803 HydrophobicContact CB-CG2 3.76Å; L596-I803 PolarHBondContact N-O 3.37Å; I803-V918 HydrophobicContact CG2-CG1 3.75Å; I803-L919 CarbonylContact C-O 3.57Å; I803-L919 WeakPolarHBondContact CA-O 3.43Å; I803-F920 HydrophobicContact CD1-CD1 4.37Å; I803-F920 HydrophobicContact CD1-CE1 3.76Å; I803-F920 HydrophobicContact CD1-CZ 4.15Å; I803-F920 HydrophobicContact CG1-CD1 3.81Å; I803-F920 HydrophobicContact CG1-CE1 3.67Å; I803-F920 HydrophobicContact CG1-CG 4.39Å; I803-F920 HydrophobicContact CG1-CZ 4.14Å |
| 804 | L | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.9 | 174.1 | -56.3 | 177.6 | 0 | 0 | 0 | 109.1 | L596 L598 V759 V763 L802 L831 V918 L919 Y921 | L596-L804 HydrophobicContact CB-CD2 3.81Å; L596-L804 HydrophobicContact CD1-CD2 4.13Å; L596-L804 HydrophobicContact CG-CD2 4.28Å; L596-L804 WeakPolarHBondContact O-CA 3.29Å; L598-L804 HydrophobicContact CD1-CB 4.23Å; L598-L804 HydrophobicContact CD1-CD1 4.22Å; L598-L804 HydrophobicContact CD1-CD2 4.2Å; L598-L804 HydrophobicContact CD1-CG 4.46Å; V759-L804 HydrophobicContact CG1-CD1 3.55Å; V763-L804 HydrophobicContact CG2-CD1 4.37Å; L802-L804 HydrophobicContact CD1-CD2 3.99Å; L802-L804 HydrophobicContact CD2-CD1 4.3Å; L802-L804 HydrophobicContact CD2-CD2 3.89Å; L802-L804 HydrophobicContact CD2-CG 4.17Å; L802-L804 HydrophobicContact CG-CD2 3.79Å; L802-L804 HydrophobicContact CG-CG 4.1Å; L804-L831 HydrophobicContact CD1-CD2 3.91Å; L804-V918 WeakPolarHBondContact O-CA 3.18Å; L804-L919 HydrophobicContact CB-CB 4.24Å; L804-L919 HydrophobicContact CB-CD1 4.44Å; L804-L919 HydrophobicContact CD1-CD1 4.48Å; L804-L919 PolarHBondContact N-O 3.38Å; L804-L919 PolarHBondContact O-N 3.27Å; L804-Y921 HydrophobicContact CD1-CD2 4.22Å; L804-Y921 HydrophobicContact CD1-CE2 3.89Å |
| 805 | T | 97.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114.8 | 174.2 | -52.3 | 0 | 0 | 0 | 0 | 108.3 | S522 D595 L596 S597 L598 L807 Y917 V918 | S522-T805 WeakPolarHBondContact OG-CG2 3.41Å; S522-T805 PolarHBondContact OG-OG1 3Å; D595-T805 WeakPolarHBondContact OD2-CB 3.26Å; D595-T805 PolarHBondContact OD2-OG1 2.91Å; L596-T805 PolarHBondContact O-N 3.39Å; S597-T805 CarbonylContact C-O 3.6Å; L598-T805 PolarHBondContact N-O 3.42Å; T805-L807 HydrophobicContact CG2-CD2 4.33Å; T805-L807 PolarHBondContact O-N 3.23Å; T805-Y917 HydrophobicContact CG2-CE2 4.06Å; T805-V918 HydrophobicContact CG2-CG2 4.46Å |
| 806 | L | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 114.4 | 176.6 | -55.9 | -169.8 | 0 | 0 | 0 | 108.7 | L598 F600 L762 R808 V825 Y917 L919 | L598-L806 HydrophobicContact CB-CD2 4.17Å; L598-L806 HydrophobicContact CD1-CD2 3.94Å; F600-L806 HydrophobicContact CE2-CB 4.3Å; L762-L806 HydrophobicContact CD1-CD2 3.95Å; L806-R808 HydrophobicContact CB-CG 4.11Å; L806-R808 PolarHBondContact O-N 3.34Å; L806-V825 HydrophobicContact CD1-CB 4.43Å; L806-V825 HydrophobicContact CD1-CG1 4.26Å; L806-Y917 PolarHBondContact N-O 2.94Å; L806-Y917 WeakPolarHBondContact O-CD2 3.21Å; L806-Y917 WeakPolarHBondContact O-CE2 3.35Å; L806-L919 HydrophobicContact CD2-CD1 4.45Å |
| 807 | L | 95.3 | Very high | 93.1 | Very high | 45 Ų | 45 | 59.5 Ų | 59.5 | 24% | 0.236 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 71.2 | -177.2 | -58.3 | -179 | 0 | 0 | 0 | 111 | L598 A599 F600 T805 F809 | L598-L807 WeakPolarHBondContact O-CB 3.31Å; L598-L807 PolarHBondContact O-N 3.12Å; A599-L807 HydrophobicContact CB-CD1 4.24Å; F600-L807 WeakPolarHBondContact CD2-O 3.41Å; T805-L807 HydrophobicContact CG2-CD2 4.33Å; T805-L807 PolarHBondContact O-N 3.23Å; L807-F809 HydrophobicContact CB-CE1 4.35Å; L807-F809 HydrophobicContact CB-CZ 4.31Å; L807-F809 HydrophobicContact CD2-CE1 4.07Å; L807-F809 HydrophobicContact CD2-CZ 3.76Å; L807-F809 PolarHBondContact O-N 2.89Å |
| 808 | R | 93.7 | Very high | 92.9 | Very high | 7 Ų | 7 | 58.9 Ų | 58.9 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | trans | -76.3 | 46.5 | -175.8 | -73.3 | -173 | 163.9 | -79.7 | 2.8 | 113 | F600 L806 K820 I821 D823 T915 A916 | F600-R808 HydrophobicContact CE2-CB 4.47Å; F600-R808 HydrophobicContact CE2-CG 3.65Å; F600-R808 HydrophobicContact CZ-CG 3.76Å; L806-R808 HydrophobicContact CB-CG 4.11Å; L806-R808 PolarHBondContact O-N 3.34Å; R808-K820 CarbonylContact O-C 3.55Å; R808-K820 WeakPolarHBondContact O-CA 3.38Å; R808-I821 HydrophobicContact CB-CB 4.41Å; R808-I821 PolarHBondContact NH1-O 2.9Å; R808-I821 PolarHBondContact O-N 3.39Å; R808-D823 VanDerWaalsContact CZ-O 3.24Å; R808-D823 PolarHBondContact NH1-O 3.18Å; R808-D823 PolarHBondContact NH2-O 3.03Å; R808-T915 WeakPolarHBondContact CD-OG1 3.44Å; R808-A916 VanDerWaalsContact CD-O 3.3Å; R808-A916 WeakPolarHBondContact CD-O 3.3Å; R808-A916 PolarHBondContact NE-O 3.3Å | ||
| 809 | F | 92.3 | Very high | 92.8 | Very high | 72 Ų | 72 | 64 Ų | 64 | 32% | 0.316 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 136 | 178.7 | 44.7 | -90.1 | 0 | 0 | 0 | 112.3 | L807 R818 R819 Y917 | L807-F809 HydrophobicContact CB-CE1 4.35Å; L807-F809 HydrophobicContact CB-CZ 4.31Å; L807-F809 HydrophobicContact CD2-CE1 4.07Å; L807-F809 HydrophobicContact CD2-CZ 3.76Å; L807-F809 PolarHBondContact O-N 2.89Å; F809-R818 HydrophobicContact CB-CG 3.99Å; F809-R818 VanDerWaalsContact CE1-NH2 3.28Å; F809-R819 CarbonylContact C-O 3.56Å; F809-R819 VanDerWaalsContact CA-O 3.25Å; F809-R819 WeakPolarHBondContact CA-O 3.48Å; F809-Y917 HydrophobicContact CE1-CE2 4.29Å |
| 810 | S | 91.5 | Very high | 92.7 | Very high | 56 Ų | 56 | 65 Ų | 65 | 39% | 0.392 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 165.9 | 168.7 | 59.6 | 0 | 0 | 0 | 0 | 109.6 | R818 R819 | S810-R818 CarbonylContact O-C 3.58Å; S810-R818 WeakPolarHBondContact O-CA 3.45Å; S810-R819 PolarHBondContact N-O 3.5Å; S810-R819 PolarHBondContact O-N 2.93Å |
| 811 | F | 91 | Very high | 92.7 | Very high | 116 Ų | 116 | 61.9 Ų | 61.9 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 118.4 | 168.4 | -171.9 | -95.4 | 0 | 0 | 0 | 108.2 | L813 M816 | F811-L813 HydrophobicContact CD1-CD2 3.93Å; F811-L813 HydrophobicContact CE1-CD2 4.1Å; F811-L813 PolarHBondContact O-N 3.11Å; F811-M816 HydrophobicContact CE1-SD 3.97Å; F811-M816 HydrophobicContact CZ-CB 4.29Å; F811-M816 WeakPolarHBondContact CZ-O 3.44Å; F811-M816 HydrophobicContact CZ-SD 4.28Å |
| 812 | D | 87.4 | Confident | 92.4 | Very high | 37 Ų | 37 | 64.9 Ų | 64.9 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 109.2 | 179.2 | -168.1 | -35.3 | 0 | 0 | 0 | 109.4 | R814 T815 M816 R817 R819 | D812-R814 PolarHBondContact O-N 3.46Å; D812-R814 WeakPolarHBondContact OD1-CB 3.34Å; D812-R814 PolarHBondContact OD1-N 3.13Å; D812-T815 PolarHBondContact O-N 2.94Å; D812-M816 WeakPolarHBondContact O-CA 3.39Å; D812-M816 PolarHBondContact O-N 3.27Å; D812-R817 PolarHBondContact N-O 3.37Å; D812-R819 HydrophobicContact CB-CG 4.28Å; D812-R819 IonicContact OD2-CZ 3.7Å; D812-R819 VanDerWaalsContact OD2-CZ 3.24Å; D812-R819 IonicContact OD2-NE 3.02Å; D812-R819 IonicContact OD2-NH1 2.64Å; D812-R819 PolarHBondContact OD2-NH1 2.94Å |
| 813 | L | 89.9 | Confident | 92.1 | Very high | 144 Ų | 144 | 68.5 Ų | 68.5 | 75% | 0.754 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -14.9 | -179.6 | -66.1 | 170.7 | 0 | 0 | 0 | 113.5 | F811 | F811-L813 HydrophobicContact CD1-CD2 3.93Å; F811-L813 HydrophobicContact CE1-CD2 4.1Å; F811-L813 PolarHBondContact O-N 3.11Å |
| 814 | R | 89.5 | Confident | 91.7 | Very high | 195 Ų | 195 | 71.2 Ų | 71.2 | 74% | 0.736 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -42.2 | 173.1 | -177.2 | 169.7 | 70.1 | 138.8 | -4.1 | 111.3 | D812 | D812-R814 PolarHBondContact O-N 3.46Å; D812-R814 WeakPolarHBondContact OD1-CB 3.34Å; D812-R814 PolarHBondContact OD1-N 3.13Å |
| 815 | T | 88.6 | Confident | 91.5 | Very high | 53 Ų | 53 | 71.4 Ų | 71.4 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 1.4 | -177 | 68.2 | 0 | 0 | 0 | 0 | 113.8 | D812 R817 | D812-T815 PolarHBondContact O-N 2.94Å; T815-R817 WeakPolarHBondContact O-CG 3.47Å; T815-R817 PolarHBondContact O-N 3.37Å |
| 816 | M | 90.4 | Very high | 91.3 | Very high | 132 Ų | 132 | 74.2 Ų | 74.2 | 65% | 0.65 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 35.1 | -176.9 | -64 | -67.9 | -83.1 | 0 | 0 | 113.9 | F811 D812 | F811-M816 HydrophobicContact CE1-SD 3.97Å; F811-M816 HydrophobicContact CZ-CB 4.29Å; F811-M816 WeakPolarHBondContact CZ-O 3.44Å; F811-M816 HydrophobicContact CZ-SD 4.28Å; D812-M816 WeakPolarHBondContact O-CA 3.39Å; D812-M816 PolarHBondContact O-N 3.27Å |
| 817 | R | 85.6 | Confident | 91.2 | Very high | 185 Ų | 185 | 75.1 Ų | 75.1 | 70% | 0.698 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 152.6 | -175.6 | -74.7 | 177.7 | -171.5 | -166 | 4.5 | 111.1 | D812 T815 | D812-R817 PolarHBondContact N-O 3.37Å; T815-R817 WeakPolarHBondContact O-CG 3.47Å; T815-R817 PolarHBondContact O-N 3.37Å |
| 818 | R | 89.4 | Confident | 91.1 | Very high | 90 Ų | 90 | 74.9 Ų | 74.9 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 146 | 167.9 | -164.1 | -176.8 | -178.8 | -153.6 | 12.5 | 108.8 | D520 F809 S810 S856 | D520-R818 IonicContact OD2-NH2 2.74Å; F809-R818 HydrophobicContact CB-CG 3.99Å; F809-R818 VanDerWaalsContact CE1-NH2 3.28Å; S810-R818 CarbonylContact O-C 3.58Å; S810-R818 WeakPolarHBondContact O-CA 3.45Å; R818-S856 WeakPolarHBondContact CG-OG 3.29Å; R818-S856 PolarHBondContact NH1-O 3.12Å; R818-S856 PolarHBondContact O-OG 3.28Å |
| 819 | R | 89.9 | Confident | 91 | Very high | 118 Ų | 118 | 77.4 Ų | 77.4 | 45% | 0.445 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.6 | 170 | -73.3 | -173.4 | 167.2 | -176.2 | -17.5 | 109.6 | F809 S810 D812 S856 | F809-R819 CarbonylContact C-O 3.56Å; F809-R819 VanDerWaalsContact CA-O 3.25Å; F809-R819 WeakPolarHBondContact CA-O 3.48Å; S810-R819 PolarHBondContact N-O 3.5Å; S810-R819 PolarHBondContact O-N 2.93Å; D812-R819 HydrophobicContact CB-CG 4.28Å; D812-R819 IonicContact OD2-CZ 3.7Å; D812-R819 VanDerWaalsContact OD2-CZ 3.24Å; D812-R819 IonicContact OD2-NE 3.02Å; D812-R819 IonicContact OD2-NH1 2.64Å; D812-R819 PolarHBondContact OD2-NH1 2.94Å; R819-S856 PolarHBondContact N-OG 3.2Å |
| 820 | K | 93.8 | Very high | 91.1 | Very high | 22 Ų | 22 | 78.2 Ų | 78.2 | 10% | 0.096 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 136.6 | 174.3 | -173.8 | 178.5 | 172.1 | -177.8 | 0 | 110.3 | R808 L822 H851 G853 S855 S856 K913 T915 | R808-K820 CarbonylContact O-C 3.55Å; R808-K820 WeakPolarHBondContact O-CA 3.38Å; K820-L822 HydrophobicContact CB-CD2 4.47Å; K820-L822 HydrophobicContact CD-CD2 3.68Å; K820-L822 HydrophobicContact CG-CD2 3.87Å; K820-H851 PolarHBondContact NZ-ND1 3.24Å; K820-H851 PolarHBondContact NZ-O 2.93Å; K820-G853 VanDerWaalsContact CD-O 3.31Å; K820-G853 WeakPolarHBondContact CD-O 3.45Å; K820-G853 WeakPolarHBondContact CE-O 3.48Å; K820-G853 PolarHBondContact NZ-O 3.32Å; K820-S855 WeakPolarHBondContact CD-O 3.35Å; K820-S856 PolarHBondContact N-OG 3.28Å; K820-K913 PolarHBondContact NZ-O 3.41Å; K820-T915 WeakPolarHBondContact CE-OG1 3.13Å; K820-T915 PolarHBondContact NZ-OG1 2.93Å |
| 821 | I | 92.7 | Very high | 91.3 | Very high | 25 Ų | 25 | 75.7 Ų | 75.7 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | trans | -89.9 | 112 | 173.1 | -60.1 | 174.6 | 0 | 0 | 0 | 107.9 | F600 R808 D823 | F600-I821 HydrophobicContact CB-CD1 4.19Å; F600-I821 HydrophobicContact CD1-CG2 3.87Å; F600-I821 HydrophobicContact CD2-CD1 4.27Å; F600-I821 HydrophobicContact CE1-CG2 3.89Å; F600-I821 HydrophobicContact CG-CD1 4.14Å; F600-I821 HydrophobicContact CG-CG2 4.31Å; F600-I821 HydrophobicContact CZ-CG2 4.33Å; R808-I821 HydrophobicContact CB-CB 4.41Å; R808-I821 PolarHBondContact NH1-O 2.9Å; R808-I821 PolarHBondContact O-N 3.39Å; I821-D823 HydrophobicContact CG2-CB 3.91Å; I821-D823 VanDerWaalsContact CG2-CG 3.44Å; I821-D823 VanDerWaalsContact CG2-OD1 3.28Å; I821-D823 WeakPolarHBondContact CG2-OD1 3.35Å | ||
| 822 | L | 92.1 | Very high | 91.4 | Very high | 64 Ų | 64 | 78.8 Ų | 78.8 | 34% | 0.335 | 37% | 0.366 | S | S | . | . | trans | -90.4 | -9.5 | -176.5 | -59.9 | -180 | 0 | 0 | 0 | 113.6 | K820 D824 T915 | K820-L822 HydrophobicContact CB-CD2 4.47Å; K820-L822 HydrophobicContact CD-CD2 3.68Å; K820-L822 HydrophobicContact CG-CD2 3.87Å; L822-D824 PolarHBondContact O-N 3.22Å; L822-T915 HydrophobicContact CD2-CG2 3.95Å | ||
| 823 | D | 90.4 | Very high | 91.7 | Very high | 76 Ų | 76 | 77 Ų | 77 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | trans | -40.5 | 126.7 | 178.1 | -55.9 | 21.6 | 0 | 0 | 0 | 112.5 | F600 R808 I821 | F600-D823 HydrophobicContact CE1-CB 4.04Å; R808-D823 VanDerWaalsContact CZ-O 3.24Å; R808-D823 PolarHBondContact NH1-O 3.18Å; R808-D823 PolarHBondContact NH2-O 3.03Å; I821-D823 HydrophobicContact CG2-CB 3.91Å; I821-D823 VanDerWaalsContact CG2-CG 3.44Å; I821-D823 VanDerWaalsContact CG2-OD1 3.28Å; I821-D823 WeakPolarHBondContact CG2-OD1 3.35Å | ||
| 824 | D | 90 | Very high | 91.8 | Very high | 58 Ų | 58 | 72.1 Ų | 72.1 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | trans | -69.7 | 142.4 | 177.2 | -157.2 | 2.5 | 0 | 0 | 0 | 111.3 | L822 T908 S909 | L822-D824 PolarHBondContact O-N 3.22Å; D824-T908 HydrophobicContact CB-CG2 4.21Å; D824-T908 WeakPolarHBondContact OD1-CB 3.27Å; D824-T908 PolarHBondContact OD1-OG1 3.37Å; D824-S909 PolarHBondContact OD2-OG 2.91Å | ||
| 825 | V | 92.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 108.1 | -177.5 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | F600 R757 V759 L762 L806 I827 | F600-V825 HydrophobicContact CE1-CG2 3.58Å; F600-V825 HydrophobicContact CZ-CG2 3.68Å; R757-V825 HydrophobicContact CB-CG2 4.46Å; R757-V825 CarbonylContact O-C 3.41Å; R757-V825 WeakPolarHBondContact O-CA 2.96Å; V759-V825 HydrophobicContact CG2-CG1 3.95Å; L762-V825 HydrophobicContact CD1-CG1 3.83Å; L762-V825 HydrophobicContact CD1-CG2 4.25Å; L806-V825 HydrophobicContact CD1-CB 4.43Å; L806-V825 HydrophobicContact CD1-CG1 4.26Å; V825-I827 WeakPolarHBondContact O-CG1 3.45Å; V825-I827 PolarHBondContact O-N 3.14Å |
| 826 | S | 93.3 | Very high | 91.6 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 42% | 0.42 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 126.6 | -179.2 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | R757 S758 V759 | R757-S826 PolarHBondContact O-N 3.27Å; R757-S826 PolarHBondContact O-OG 3.11Å; S758-S826 WeakPolarHBondContact CA-O 3.46Å; S758-S826 VanDerWaalsContact CA-OG 3.29Å; S758-S826 WeakPolarHBondContact CA-OG 3.38Å; S758-S826 WeakPolarHBondContact CB-OG 3.47Å; V759-S826 PolarHBondContact N-O 2.93Å |
| 827 | I | 95.4 | Very high | 91 | Very high | 18 Ų | 18 | 58.7 Ų | 58.7 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | trans | -103.4 | 109.8 | -175.3 | -53.6 | 170.6 | 0 | 0 | 0 | 109 | V759 V825 L845 V848 F901 A916 L919 Y921 | V759-I827 HydrophobicContact CG2-CB 4.35Å; V759-I827 HydrophobicContact CG2-CG1 4.07Å; V759-I827 HydrophobicContact CG2-CG2 4.44Å; V825-I827 WeakPolarHBondContact O-CG1 3.45Å; V825-I827 PolarHBondContact O-N 3.14Å; I827-L845 HydrophobicContact CG2-CD1 4.08Å; I827-L845 HydrophobicContact CG2-CD2 3.83Å; I827-V848 HydrophobicContact CD1-CG1 4.04Å; I827-V848 HydrophobicContact CD1-CG2 4.31Å; I827-F901 WeakPolarHBondContact O-CZ 3.21Å; I827-A916 HydrophobicContact CD1-CB 3.57Å; I827-L919 HydrophobicContact CD1-CD2 3.87Å; I827-L919 HydrophobicContact CG1-CD2 4.48Å; I827-L919 HydrophobicContact CG2-CD1 4.28Å; I827-L919 HydrophobicContact CG2-CD2 4.45Å; I827-Y921 WeakPolarHBondContact CG2-OH 3.42Å | ||
| 828 | P | 93.8 | Very high | 90.6 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 26% | 0.26 | 30% | 0.302 | S | S | . | . | trans | -74.8 | 135 | 179.6 | 30.2 | -34.2 | 0 | 0 | 0 | 111.6 | L830 L831 Y921 | P828-L830 PolarHBondContact O-N 3.46Å; P828-L830 VanDerWaalsContact O-N 3.15Å; P828-L831 HydrophobicContact CG-CB 4.43Å; P828-L831 HydrophobicContact CG-CD1 4.18Å; P828-Y921 WeakPolarHBondContact O-CE1 3.22Å; P828-Y921 PolarHBondContact O-OH 3.37Å | ||
| 829 | L | 91.9 | Very high | 90.3 | Very high | 61 Ų | 61 | 56.1 Ų | 56.1 | 32% | 0.319 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -61.2 | -24.2 | 174.6 | -166.4 | 68.7 | 0 | 0 | 0 | 113 | L845 W888 F901 | L829-L845 HydrophobicContact CD1-CB 4.38Å; L829-L845 HydrophobicContact CD1-CD2 4.47Å; L829-L845 PolarHBondContact O-N 2.99Å; L829-W888 HydrophobicContact CD1-CZ2 4.02Å; L829-F901 HydrophobicContact CB-CD1 4.45Å; L829-F901 HydrophobicContact CB-CE1 3.98Å; L829-F901 HydrophobicContact CB-CE2 4.19Å; L829-F901 HydrophobicContact CB-CZ 3.84Å; L829-F901 HydrophobicContact CD1-CB 4.43Å; L829-F901 HydrophobicContact CD1-CD1 4.22Å; L829-F901 HydrophobicContact CD1-CD2 3.57Å; L829-F901 HydrophobicContact CD1-CE1 4.44Å; L829-F901 HydrophobicContact CD1-CE2 3.82Å; L829-F901 HydrophobicContact CD1-CG 3.79Å; L829-F901 HydrophobicContact CD1-CZ 4.26Å; L829-F901 HydrophobicContact CD2-CD1 4.46Å |
| 830 | L | 93.6 | Very high | 90.2 | Very high | 89 Ų | 89 | 52 Ų | 52 | 47% | 0.466 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 107.8 | 177.4 | 179 | 66.2 | 0 | 0 | 0 | 109.3 | P828 A842 Y843 | P828-L830 PolarHBondContact O-N 3.46Å; P828-L830 VanDerWaalsContact O-N 3.15Å; L830-A842 HydrophobicContact CD1-CB 4.24Å; L830-Y843 CarbonylContact C-O 3.58Å; L830-Y843 WeakPolarHBondContact CA-O 3.39Å |
| 831 | L | 94.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 141.8 | 175.1 | -178.1 | 64.8 | 0 | 0 | 0 | 110.3 | L760 L802 L804 P828 Y843 Y921 | L760-L831 HydrophobicContact CB-CD1 4.2Å; L760-L831 HydrophobicContact CD1-CD1 4.04Å; L802-L831 HydrophobicContact CD2-CD2 3.96Å; L804-L831 HydrophobicContact CD1-CD2 3.91Å; P828-L831 HydrophobicContact CG-CB 4.43Å; P828-L831 HydrophobicContact CG-CD1 4.18Å; L831-Y843 PolarHBondContact N-O 3.31Å; L831-Y843 PolarHBondContact O-N 2.85Å; L831-Y921 HydrophobicContact CB-CD1 3.85Å; L831-Y921 HydrophobicContact CB-CE1 3.5Å; L831-Y921 VanDerWaalsContact CB-CE1 3.5Å; L831-Y921 HydrophobicContact CD2-CE1 4.33Å; L831-Y921 HydrophobicContact CD2-CE2 4.33Å |
| 832 | R | 93.8 | Very high | 90.1 | Very high | 181 Ų | 181 | 51.6 Ų | 51.6 | 68% | 0.683 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 91.2 | 171.9 | -169.7 | -178 | -173.8 | -153.6 | 0.9 | 109.4 | P834 Q841 | R832-P834 WeakPolarHBondContact O-CD 3.04Å; R832-Q841 CarbonylContact C-O 3.51Å; R832-Q841 WeakPolarHBondContact CA-O 3.41Å |
| 833 | L | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 124.4 | -177.6 | -170.5 | 67.7 | 0 | 0 | 0 | 110.7 | V763 L795 L802 L835 G840 Q841 Y843 | V763-L833 HydrophobicContact CG1-CD1 4.11Å; L795-L833 HydrophobicContact CD1-CD1 3.62Å; L795-L833 HydrophobicContact CD1-CD2 3.92Å; L795-L833 HydrophobicContact CD1-CG 3.77Å; L802-L833 HydrophobicContact CD1-CD2 4.35Å; L802-L833 HydrophobicContact CD2-CD1 3.89Å; L802-L833 HydrophobicContact CD2-CD2 4.1Å; L802-L833 HydrophobicContact CD2-CG 4.49Å; L833-L835 HydrophobicContact CD2-CD2 4.12Å; L833-L835 HydrophobicContact CG-CD2 4.43Å; L833-G840 WeakPolarHBondContact O-CA 3.4Å; L833-Q841 PolarHBondContact N-O 3.47Å; L833-Q841 PolarHBondContact O-N 2.97Å; L833-Y843 HydrophobicContact CB-CD2 3.64Å; L833-Y843 HydrophobicContact CB-CE2 3.69Å; L833-Y843 HydrophobicContact CD2-CD2 4.16Å; L833-Y843 HydrophobicContact CD2-CE2 3.46Å; L833-Y843 VanDerWaalsContact CD2-CE2 3.46Å; L833-Y843 HydrophobicContact CG-CE2 4.24Å |
| 834 | P | 92.1 | Very high | 90.4 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 136 | 170.8 | -17.5 | 31.9 | 0 | 0 | 0 | 111.1 | L767 R832 | L767-P834 HydrophobicContact CD1-CB 3.97Å; L767-P834 HydrophobicContact CD1-CG 4.1Å; R832-P834 WeakPolarHBondContact O-CD 3.04Å |
| 835 | L | 90.4 | Very high | 90.7 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 154.6 | 178 | -64.2 | -178.6 | 0 | 0 | 0 | 110.7 | L795 L833 G837 G838 R839 Q841 | L795-L835 HydrophobicContact CB-CD2 3.73Å; L795-L835 WeakPolarHBondContact O-CA 3.39Å; L833-L835 HydrophobicContact CD2-CD2 4.12Å; L833-L835 HydrophobicContact CG-CD2 4.43Å; L835-G837 PolarHBondContact O-N 3.11Å; L835-G838 PolarHBondContact O-N 3.37Å; L835-R839 HydrophobicContact CB-CB 4.33Å; L835-R839 PolarHBondContact N-O 3.45Å; L835-R839 PolarHBondContact O-N 3.11Å; L835-R839 VanDerWaalsContact O-N 3.12Å; L835-Q841 HydrophobicContact CD1-CB 3.65Å; L835-Q841 HydrophobicContact CG-CB 4.28Å |
| 836 | A | 85.1 | Confident | 90.8 | Very high | 12 Ų | 12 | 42.8 Ų | 42.8 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 134.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | E794 L795 R839 | E794-A836 HydrophobicContact CB-CB 3.94Å; E794-A836 HydrophobicContact CG-CB 4.43Å; E794-A836 VanDerWaalsContact OE1-CA 3.26Å; E794-A836 WeakPolarHBondContact OE1-CA 3.48Å; L795-A836 PolarHBondContact O-N 2.88Å; A836-R839 PolarHBondContact O-NE 2.9Å; A836-R839 PolarHBondContact O-NH2 3.25Å |
| 837 | G | 76.9 | Confident | 91 | Very high | 66 Ų | 66 | 40 Ų | 40 | 68% | 0.68 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 32.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E794 L835 R839 | E794-G837 PolarHBondContact OE1-N 3.03Å; L835-G837 PolarHBondContact O-N 3.11Å; G837-R839 VanDerWaalsContact C-N 3.26Å; G837-R839 PolarHBondContact O-N 3.42Å |
| 838 | G | 76.7 | Confident | 91.1 | Very high | 83 Ų | 83 | 39.2 Ų | 39.2 | 86% | 0.856 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 18.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L835 | L835-G838 PolarHBondContact O-N 3.37Š|
| 839 | R | 84.5 | Confident | 91.3 | Very high | 138 Ų | 138 | 37.3 Ų | 37.3 | 52% | 0.521 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 148.1 | -179.4 | -66.6 | 174.7 | -66 | 177.6 | 5.1 | 109.4 | L835 A836 G837 | L835-R839 HydrophobicContact CB-CB 4.33Å; L835-R839 PolarHBondContact N-O 3.45Å; L835-R839 PolarHBondContact O-N 3.11Å; L835-R839 VanDerWaalsContact O-N 3.12Å; A836-R839 PolarHBondContact O-NE 2.9Å; A836-R839 PolarHBondContact O-NH2 3.25Å; G837-R839 VanDerWaalsContact C-N 3.26Å; G837-R839 PolarHBondContact O-N 3.42Å |
| 840 | G | 85.9 | Confident | 91.5 | Very high | 32 Ų | 32 | 34.4 Ų | 34.4 | 33% | 0.33 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | L833 | L833-G840 WeakPolarHBondContact O-CA 3.4Å |
| 841 | Q | 91.8 | Very high | 91.6 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.8 | 174.2 | 175.5 | 59.6 | 63.4 | 0 | 0 | 110.1 | R832 L833 L835 Y843 Q923 R924 | R832-Q841 CarbonylContact C-O 3.51Å; R832-Q841 WeakPolarHBondContact CA-O 3.41Å; L833-Q841 PolarHBondContact N-O 3.47Å; L833-Q841 PolarHBondContact O-N 2.97Å; L835-Q841 HydrophobicContact CD1-CB 3.65Å; L835-Q841 HydrophobicContact CG-CB 4.28Å; Q841-Y843 HydrophobicContact CB-CD2 4.41Å; Q841-Y843 HydrophobicContact CB-CE2 3.95Å; Q841-Y843 HydrophobicContact CG-CD2 3.94Å; Q841-Y843 HydrophobicContact CG-CE2 3.4Å; Q841-Q923 HydrophobicContact CG-CG 3.72Å; Q841-R924 PolarHBondContact NE2-O 3.02Å |
| 842 | A | 93.6 | Very high | 91.5 | Very high | 33 Ų | 33 | 32 Ų | 32 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 140 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L830 R924 | L830-A842 HydrophobicContact CD1-CB 4.24Å; A842-R924 HydrophobicContact CB-CB 4.04Å; A842-R924 PolarHBondContact O-N 2.89Å |
| 843 | Y | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 118.4 | -176.4 | -86.6 | -87.5 | 0 | 0 | 0 | 109.9 | G798 P799 L802 L830 L831 L833 Q841 R922 Q923 | G798-Y843 VanDerWaalsContact C-OH 3.32Å; G798-Y843 WeakPolarHBondContact CA-OH 3.21Å; P799-Y843 WeakPolarHBondContact O-CE1 3.18Å; P799-Y843 PolarHBondContact O-OH 3.01Å; L802-Y843 HydrophobicContact CB-CD1 3.83Å; L802-Y843 HydrophobicContact CB-CE1 3.62Å; L802-Y843 HydrophobicContact CD2-CD1 4.47Å; L830-Y843 CarbonylContact C-O 3.58Å; L830-Y843 WeakPolarHBondContact CA-O 3.39Å; L831-Y843 PolarHBondContact N-O 3.31Å; L831-Y843 PolarHBondContact O-N 2.85Å; L833-Y843 HydrophobicContact CB-CD2 3.64Å; L833-Y843 HydrophobicContact CB-CE2 3.69Å; L833-Y843 HydrophobicContact CD2-CD2 4.16Å; L833-Y843 HydrophobicContact CD2-CE2 3.46Å; L833-Y843 VanDerWaalsContact CD2-CE2 3.46Å; L833-Y843 HydrophobicContact CG-CE2 4.24Å; Q841-Y843 HydrophobicContact CB-CD2 4.41Å; Q841-Y843 HydrophobicContact CB-CE2 3.95Å; Q841-Y843 HydrophobicContact CG-CD2 3.94Å; Q841-Y843 HydrophobicContact CG-CE2 3.4Å; Y843-R922 CarbonylContact C-O 3.59Å; Y843-R922 WeakPolarHBondContact CA-O 3.3Å; Y843-Q923 HydrophobicContact CD1-CB 4.1Å; Y843-Q923 HydrophobicContact CE1-CB 3.54Å; Y843-Q923 HydrophobicContact CE1-CG 4.2Å; Y843-Q923 HydrophobicContact CE2-CG 4.4Å |
| 844 | D | 94.1 | Very high | 90.4 | Very high | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 132.4 | 176.7 | -74.3 | -89 | 0 | 0 | 0 | 110.3 | Y921 R922 R924 | D844-Y921 CarbonylContact O-C 3.52Å; D844-Y921 VanDerWaalsContact O-CA 3.28Å; D844-Y921 WeakPolarHBondContact O-CA 3.44Å; D844-R922 PolarHBondContact N-O 3.03Å; D844-R922 PolarHBondContact O-N 3.29Å; D844-R924 VanDerWaalsContact CG-NH2 3.34Å; D844-R924 IonicContact OD1-CZ 3.25Å; D844-R924 IonicContact OD1-NE 2.67Å; D844-R924 IonicContact OD1-NH2 3.17Å; D844-R924 PolarHBondContact OD1-NH2 3.33Å; D844-R924 IonicContact OD2-CZ 2.7Å; D844-R924 IonicContact OD2-NE 2.73Å; D844-R924 PolarHBondContact OD2-NE 2.95Å; D844-R924 IonicContact OD2-NH2 2.73Å; D844-R924 PolarHBondContact OD2-NH2 3.26Å; D844-R924 VanDerWaalsContact OD2-NH2 3.16Å |
| 845 | L | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 139.4 | 178 | -177.1 | 69.7 | 0 | 0 | 0 | 111.1 | I827 L829 V848 R866 W888 F901 Y921 | I827-L845 HydrophobicContact CG2-CD1 4.08Å; I827-L845 HydrophobicContact CG2-CD2 3.83Å; L829-L845 HydrophobicContact CD1-CB 4.38Å; L829-L845 HydrophobicContact CD1-CD2 4.47Å; L829-L845 PolarHBondContact O-N 2.99Å; L845-V848 HydrophobicContact CD1-CG2 4.05Å; L845-V848 HydrophobicContact CD2-CG2 4.01Å; L845-V848 HydrophobicContact CG-CG2 4.39Å; L845-R866 PolarHBondContact O-NE 2.7Å; L845-R866 PolarHBondContact O-NH2 2.89Å; L845-W888 HydrophobicContact CD2-CH2 3.74Å; L845-W888 HydrophobicContact CD2-CZ2 3.98Å; L845-W888 HydrophobicContact CG-CH2 3.96Å; L845-W888 HydrophobicContact CG-CZ2 4.33Å; L845-F901 HydrophobicContact CD2-CD2 4.33Å; L845-F901 HydrophobicContact CD2-CE2 3.88Å; L845-Y921 HydrophobicContact CB-CD1 3.95Å; L845-Y921 HydrophobicContact CB-CE1 3.78Å; L845-Y921 HydrophobicContact CD1-CD1 4.21Å; L845-Y921 HydrophobicContact CD1-CD2 4Å; L845-Y921 HydrophobicContact CD1-CE1 3.87Å; L845-Y921 HydrophobicContact CD1-CE2 3.64Å; L845-Y921 HydrophobicContact CD1-CG 4.27Å; L845-Y921 HydrophobicContact CG-CE1 4.41Å |
| 846 | C | 94.7 | Very high | 89.8 | Confident | 7 Ų | 7 | 26.3 Ų | 26.3 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | -48.6 | -179.6 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | A865 R866 F920 R922 | C846-A865 WeakPolarHBondContact O-CA 3.49Å; C846-R866 PolarHBondContact O-N 2.98Å; C846-F920 HydrophobicContact CB-CB 4.36Å; C846-F920 WeakPolarHBondContact CB-O 3.5Å; C846-F920 PolarHBondContact N-O 2.7Å; C846-R922 WeakPolarHBondContact SG-CB 3.27Å; C846-R922 PolarHBondContact SG-N 2.72Å |
| 847 | S | 97.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 157.8 | 179.6 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | Y864 F920 | S847-Y864 CarbonylContact C-O 2.88Å; S847-Y864 WeakPolarHBondContact CA-O 3.31Å; S847-Y864 VanDerWaalsContact CB-O 3.23Å; S847-Y864 WeakPolarHBondContact CB-O 3.4Å; S847-F920 PolarHBondContact N-O 3.08Å; S847-F920 PolarHBondContact O-N 3.13Å; S847-F920 WeakPolarHBondContact OG-CB 3.4Å; S847-F920 WeakPolarHBondContact OG-CD2 3.44Å |
| 848 | V | 97.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 111.4 | -179.2 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | I827 L845 V850 Y864 V904 A916 L919 | I827-V848 HydrophobicContact CD1-CG1 4.04Å; I827-V848 HydrophobicContact CD1-CG2 4.31Å; L845-V848 HydrophobicContact CD1-CG2 4.05Å; L845-V848 HydrophobicContact CD2-CG2 4.01Å; L845-V848 HydrophobicContact CG-CG2 4.39Å; V848-V850 HydrophobicContact CG1-CG2 4.09Å; V848-Y864 PolarHBondContact N-O 3.41Å; V848-Y864 PolarHBondContact O-N 2.7Å; V848-V904 HydrophobicContact CB-CG1 4.23Å; V848-V904 HydrophobicContact CG2-CG1 3.73Å; V848-A916 HydrophobicContact CG1-CB 3.6Å; V848-L919 HydrophobicContact CB-CD2 4.29Å; V848-L919 HydrophobicContact CG1-CD2 3.83Å; V848-L919 HydrophobicContact CG2-CD2 3.96Å |
| 849 | V | 98.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125 | 170.3 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | I455 A458 Y861 Y862 C863 Y917 V918 | I455-V849 HydrophobicContact CD1-CG2 4.37Å; A458-V849 HydrophobicContact CB-CG2 4.2Å; V849-Y861 HydrophobicContact CG1-CD1 4.08Å; V849-Y862 WeakPolarHBondContact CA-O 3.38Å; V849-C863 HydrophobicContact CG2-CB 4.27Å; V849-Y917 PolarHBondContact O-N 3.5Å; V849-V918 HydrophobicContact CB-CB 4.21Å; V849-V918 PolarHBondContact N-O 3.03Å; V849-V918 PolarHBondContact O-N 3.34Å |
| 850 | V | 97.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 141.2 | -176.8 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | V848 Y861 Y862 Y864 V907 D914 | V848-V850 HydrophobicContact CG1-CG2 4.09Å; V850-Y861 WeakPolarHBondContact O-CA 3.47Å; V850-Y862 HydrophobicContact CB-CD1 4.48Å; V850-Y862 HydrophobicContact CB-CD2 4.1Å; V850-Y862 HydrophobicContact CB-CE1 4.13Å; V850-Y862 HydrophobicContact CB-CE2 3.72Å; V850-Y862 HydrophobicContact CB-CG 4.48Å; V850-Y862 HydrophobicContact CG1-CE1 3.95Å; V850-Y862 HydrophobicContact CG1-CE2 4.06Å; V850-Y862 HydrophobicContact CG2-CD2 4.37Å; V850-Y862 HydrophobicContact CG2-CE2 3.87Å; V850-Y862 PolarHBondContact N-O 3.2Å; V850-Y862 PolarHBondContact O-N 3.24Å; V850-Y864 HydrophobicContact CG2-CD2 4.14Å; V850-Y864 HydrophobicContact CG2-CE2 4.24Å; V850-V907 HydrophobicContact CG1-CG1 3.91Å; V850-V907 HydrophobicContact CG2-CG1 4.35Å; V850-D914 HydrophobicContact CG1-CB 4Å |
| 851 | H | 96 | Very high | 90.9 | Very high | 20 Ų | 20 | 22.7 Ų | 22.7 | 9% | 0.093 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.3 | 167.9 | -177.7 | -126 | 0 | 0 | 0 | 110.3 | K820 Y861 T915 | K820-H851 PolarHBondContact NZ-ND1 3.24Å; K820-H851 PolarHBondContact NZ-O 2.93Å; H851-Y861 HydrophobicContact CB-CD1 4.12Å; H851-Y861 HydrophobicContact CB-CE1 3.76Å; H851-Y861 AromaticContact CD2-CE1 3.77Å; H851-Y861 AromaticContact CD2-CE2 3.85Å; H851-Y861 AromaticContact CD2-CZ 3.63Å; H851-Y861 AromaticContact CG-CE1 3.98Å; H851-T915 PolarHBondContact N-O 3.48Å; H851-T915 PolarHBondContact O-N 3.11Å; H851-T915 PolarHBondContact O-OG1 3.1Å |
| 852 | S | 91.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 22.6 Ų | 22.6 | 13% | 0.133 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 122.9 | 173.1 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | G859 H860 D914 | S852-G859 CarbonylContact O-C 3.56Å; S852-G859 WeakPolarHBondContact O-CA 3.3Å; S852-H860 PolarHBondContact N-O 2.95Å; S852-H860 PolarHBondContact O-N 3.17Å; S852-D914 WeakPolarHBondContact CA-OD1 3.21Å; S852-D914 VanDerWaalsContact CB-CG 3.47Å; S852-D914 WeakPolarHBondContact CB-OD1 3.49Å; S852-D914 WeakPolarHBondContact CB-OD2 3.29Å; S852-D914 VanDerWaalsContact OG-CG 3.29Å; S852-D914 PolarHBondContact OG-OD1 2.88Å; S852-D914 PolarHBondContact OG-OD2 3.48Å |
| 853 | G | 83.8 | Confident | 91.3 | Very high | 13 Ų | 13 | 21 Ų | 21 | 13% | 0.134 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 156.6 | 149.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K820 K913 | K820-G853 VanDerWaalsContact CD-O 3.31Å; K820-G853 WeakPolarHBondContact CD-O 3.45Å; K820-G853 WeakPolarHBondContact CE-O 3.48Å; K820-G853 PolarHBondContact NZ-O 3.32Å; G853-K913 PolarHBondContact N-O 3.03Å |
| 854 | V | 81.2 | Confident | 91.3 | Very high | 65 Ų | 65 | 21.3 Ų | 21.3 | 39% | 0.394 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -73 | -29.4 | 175.7 | -72.9 | 0 | 0 | 0 | 0 | 113.2 | K913 | V854-K913 HydrophobicContact CG1-CD 3.6Å; V854-K913 HydrophobicContact CG1-CG 3.78Å |
| 855 | S | 84.4 | Confident | 91.4 | Very high | 29 Ų | 29 | 20.9 Ų | 20.9 | 20% | 0.203 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -113.5 | 175.1 | -167.6 | 108.2 | 0 | 0 | 0 | 0 | 111.8 | K820 E857 S858 | K820-S855 WeakPolarHBondContact CD-O 3.35Å; S855-E857 WeakPolarHBondContact CB-OE2 3.48Å; S855-E857 PolarHBondContact OG-N 3.35Å; S855-E857 VanDerWaalsContact OG-N 3.15Å; S855-E857 PolarHBondContact OG-OE2 2.92Å; S855-S858 PolarHBondContact OG-N 3.49Å |
| 856 | S | 84.6 | Confident | 91.3 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 12% | 0.119 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -101.6 | 9.5 | 178.6 | 35.9 | 0 | 0 | 0 | 0 | 113.1 | R818 R819 K820 | R818-S856 WeakPolarHBondContact CG-OG 3.29Å; R818-S856 PolarHBondContact NH1-O 3.12Å; R818-S856 PolarHBondContact O-OG 3.28Å; R819-S856 PolarHBondContact N-OG 3.2Å; K820-S856 PolarHBondContact N-OG 3.28Å |
| 857 | E | 77.3 | Confident | 91 | Very high | 115 Ų | 115 | 22.4 Ų | 22.4 | 54% | 0.537 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -118.8 | -20 | -172.3 | -56.3 | 64.6 | -126.5 | 0 | 0 | 111.6 | S855 | S855-E857 WeakPolarHBondContact CB-OE2 3.48Å; S855-E857 PolarHBondContact OG-N 3.35Å; S855-E857 VanDerWaalsContact OG-N 3.15Å; S855-E857 PolarHBondContact OG-OE2 2.92Å |
| 858 | S | 81.4 | Confident | 90 | Very high | 65 Ų | 65 | 22.3 Ų | 22.3 | 46% | 0.455 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -151 | 152.8 | 176.6 | 66.8 | 0 | 0 | 0 | 0 | 112.9 | Q518 S855 | Q518-S858 VanDerWaalsContact OE1-CA 3.22Å; S855-S858 PolarHBondContact OG-N 3.49Å |
| 859 | G | 86.6 | Confident | 89 | Confident | 19 Ų | 19 | 23.3 Ų | 23.3 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | trans | 167.9 | -157.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q518 S852 | Q518-G859 PolarHBondContact NE2-O 3.21Å; Q518-G859 PolarHBondContact OE1-O 3.43Å; S852-G859 CarbonylContact O-C 3.56Å; S852-G859 WeakPolarHBondContact O-CA 3.3Å | ||
| 860 | H | 91.7 | Very high | 87.5 | Confident | 36 Ų | 36 | 25.4 Ų | 25.4 | 17% | 0.167 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 147.3 | 177.1 | -177.1 | 56 | 0 | 0 | 0 | 110.9 | C450 S852 N892 D893 | C450-H860 VanDerWaalsContact CB-CE1 3.41Å; C450-H860 WeakPolarHBondContact CB-CE1 3.41Å; C450-H860 WeakPolarHBondContact CB-ND1 3.4Å; C450-H860 PolarHBondContact SG-ND1 2.94Å; S852-H860 PolarHBondContact N-O 2.95Å; S852-H860 PolarHBondContact O-N 3.17Å; H860-N892 PolarHBondContact NE2-OD1 3.3Å; H860-D893 IonicContact CE1-OD2 3.98Å; H860-D893 PolarHBondContact CE1-OD2 3.08Å |
| 861 | Y | 94.6 | Very high | 86 | Confident | 20 Ų | 20 | 27.7 Ų | 27.7 | 8% | 0.078 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137 | 178 | -70.1 | -84.7 | 0 | 0 | 0 | 111.5 | S454 Q519 C521 V849 V850 H851 Y917 | S454-Y861 WeakPolarHBondContact OG-CB 3.41Å; S454-Y861 PolarHBondContact OG-O 3.05Å; Q519-Y861 VanDerWaalsContact O-CE2 3.31Å; Q519-Y861 WeakPolarHBondContact O-CE2 3.4Å; C521-Y861 HydrophobicContact CB-CD1 3.97Å; C521-Y861 HydrophobicContact CB-CE1 3.76Å; C521-Y861 HydrophobicContact CB-CE2 4.44Å; C521-Y861 HydrophobicContact CB-CG 4.38Å; C521-Y861 WeakPolarHBondContact SG-CE1 3.49Å; V849-Y861 HydrophobicContact CG1-CD1 4.08Å; V850-Y861 WeakPolarHBondContact O-CA 3.47Å; H851-Y861 HydrophobicContact CB-CD1 4.12Å; H851-Y861 HydrophobicContact CB-CE1 3.76Å; H851-Y861 AromaticContact CD2-CE1 3.77Å; H851-Y861 AromaticContact CD2-CE2 3.85Å; H851-Y861 AromaticContact CD2-CZ 3.63Å; H851-Y861 AromaticContact CG-CE1 3.98Å; Y861-Y917 HydrophobicContact CE1-CD1 4.04Å |
| 862 | Y | 95.8 | Very high | 83.8 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 165.4 | 169.1 | 59.5 | -91.8 | 0 | 0 | 0 | 110.5 | S454 V849 V850 Y864 L890 F891 D914 | S454-Y862 VanDerWaalsContact OG-CA 3.3Å; S454-Y862 WeakPolarHBondContact OG-CA 3.49Å; S454-Y862 PolarHBondContact OG-N 2.7Å; V849-Y862 WeakPolarHBondContact CA-O 3.38Å; V850-Y862 HydrophobicContact CB-CD1 4.48Å; V850-Y862 HydrophobicContact CB-CD2 4.1Å; V850-Y862 HydrophobicContact CB-CE1 4.13Å; V850-Y862 HydrophobicContact CB-CE2 3.72Å; V850-Y862 HydrophobicContact CB-CG 4.48Å; V850-Y862 HydrophobicContact CG1-CE1 3.95Å; V850-Y862 HydrophobicContact CG1-CE2 4.06Å; V850-Y862 HydrophobicContact CG2-CD2 4.37Å; V850-Y862 HydrophobicContact CG2-CE2 3.87Å; V850-Y862 PolarHBondContact N-O 3.2Å; V850-Y862 PolarHBondContact O-N 3.24Å; Y862-Y864 HydrophobicContact CD2-CE2 4.33Å; Y862-Y864 HydrophobicContact CE2-CD2 4.3Å; Y862-Y864 AromaticContact CE2-CE2 3.66Å; Y862-Y864 HydrophobicContact CE2-CE2 3.66Å; Y862-L890 HydrophobicContact CD2-CD1 3.49Å; Y862-L890 VanDerWaalsContact CD2-CD1 3.49Å; Y862-L890 HydrophobicContact CE2-CD1 4.13Å; Y862-L890 HydrophobicContact CG-CD1 4.27Å; Y862-F891 WeakPolarHBondContact CB-O 3.45Å; Y862-D914 VanDerWaalsContact CE1-OD2 3.25Å; Y862-D914 WeakPolarHBondContact CE1-OD2 3.41Å; Y862-D914 PolarHBondContact OH-OD2 3.26Å |
| 863 | C | 97.5 | Very high | 81.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122.8 | -172.1 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | V849 F891 | V849-C863 HydrophobicContact CG2-CB 4.27Å; C863-F891 HydrophobicContact CB-CB 4.38Å; C863-F891 PolarHBondContact N-O 3.41Å; C863-F891 WeakPolarHBondContact O-CB 3.47Å; C863-F891 PolarHBondContact O-N 3.2Å |
| 864 | Y | 96.9 | Very high | 79.4 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133.6 | 161.2 | -66.4 | -72.9 | 0 | 0 | 0 | 109.2 | S847 V848 V850 Y862 Y889 L890 S899 V904 V907 | S847-Y864 CarbonylContact C-O 2.88Å; S847-Y864 WeakPolarHBondContact CA-O 3.31Å; S847-Y864 VanDerWaalsContact CB-O 3.23Å; S847-Y864 WeakPolarHBondContact CB-O 3.4Å; V848-Y864 PolarHBondContact N-O 3.41Å; V848-Y864 PolarHBondContact O-N 2.7Å; V850-Y864 HydrophobicContact CG2-CD2 4.14Å; V850-Y864 HydrophobicContact CG2-CE2 4.24Å; Y862-Y864 HydrophobicContact CD2-CE2 4.33Å; Y862-Y864 HydrophobicContact CE2-CD2 4.3Å; Y862-Y864 AromaticContact CE2-CE2 3.66Å; Y862-Y864 HydrophobicContact CE2-CE2 3.66Å; Y864-Y889 CarbonylContact C-O 3.57Å; Y864-Y889 WeakPolarHBondContact CA-O 3.39Å; Y864-L890 HydrophobicContact CD1-CB 3.83Å; Y864-L890 HydrophobicContact CD1-CD1 3.92Å; Y864-L890 HydrophobicContact CD1-CG 4.38Å; Y864-L890 HydrophobicContact CE1-CB 3.75Å; Y864-L890 HydrophobicContact CE1-CD1 3.71Å; Y864-L890 HydrophobicContact CE1-CD2 4.06Å; Y864-L890 HydrophobicContact CE1-CG 4.03Å; Y864-L890 HydrophobicContact CG-CD1 4.5Å; Y864-S899 WeakPolarHBondContact CD1-OG 3.28Å; Y864-S899 WeakPolarHBondContact CE1-OG 3.38Å; Y864-V904 HydrophobicContact CD1-CG2 4.02Å; Y864-V904 HydrophobicContact CD2-CG2 3.79Å; Y864-V904 HydrophobicContact CE2-CG2 4.42Å; Y864-V904 HydrophobicContact CG-CG2 3.54Å; Y864-V907 HydrophobicContact CD2-CG2 4.48Å; Y864-V907 HydrophobicContact CE2-CG2 3.67Å |
| 865 | A | 95.8 | Very high | 77.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 153.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M461 C846 Y889 F891 | M461-A865 HydrophobicContact CB-CB 3.79Å; M461-A865 HydrophobicContact CG-CB 3.83Å; C846-A865 WeakPolarHBondContact O-CA 3.49Å; A865-Y889 PolarHBondContact N-O 3.33Å; A865-Y889 PolarHBondContact O-N 3.31Å; A865-F891 HydrophobicContact CB-CD2 4.33Å; A865-F891 HydrophobicContact CB-CE2 3.97Å |
| 866 | R | 93.4 | Very high | 74.9 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 168.5 | 164.3 | 62.4 | 171.9 | 178.6 | -175.3 | 0.5 | 109.9 | L845 C846 G868 Q887 W888 | L845-R866 PolarHBondContact O-NE 2.7Å; L845-R866 PolarHBondContact O-NH2 2.89Å; C846-R866 PolarHBondContact O-N 2.98Å; R866-G868 PolarHBondContact O-N 3.17Å; R866-G868 VanDerWaalsContact O-N 3.15Å; R866-Q887 WeakPolarHBondContact CA-O 3.27Å; R866-Q887 WeakPolarHBondContact CB-O 3.42Å; R866-W888 HydrophobicContact CB-CD2 4.02Å; R866-W888 HydrophobicContact CB-CE3 4.37Å; R866-W888 HydrophobicContact CB-CG 4.21Å; R866-W888 HydrophobicContact CG-CD2 4.18Å; R866-W888 HydrophobicContact CG-CH2 4.38Å; R866-W888 HydrophobicContact CG-CZ2 4.03Å |
| 867 | E | 87.7 | Confident | 72.7 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 15% | 0.15 | 32% | 0.318 | C | S | . | . | trans | -64.1 | 114.2 | -176.6 | -158.7 | 62.7 | -129.6 | 0 | 0 | 111.1 | K440 S463 R466 A869 | K440-E867 IonicContact NZ-OE2 2.72Å; K440-E867 PolarHBondContact NZ-OE2 2.68Å; S463-E867 WeakPolarHBondContact CB-OE1 3.28Å; S463-E867 WeakPolarHBondContact OG-CG 3.28Å; S463-E867 PolarHBondContact OG-OE1 3.23Å; R466-E867 IonicContact CZ-OE1 2.71Å; R466-E867 IonicContact NH1-OE1 2.9Å; R466-E867 PolarHBondContact NH1-OE1 2.78Å; R466-E867 IonicContact NH2-OE1 3.44Å; R466-E867 PolarHBondContact NH2-OE1 2.8Å; R466-E867 VanDerWaalsContact NH2-OE1 3.08Å; R466-E867 IonicContact NH2-OE2 2.72Å; E867-A869 PolarHBondContact O-N 3.28Å | ||
| 868 | G | 76.7 | Confident | 70.6 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | trans | -80.2 | 36.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | M461 S463 Y801 R866 | M461-G868 WeakPolarHBondContact O-CA 3.45Å; M461-G868 PolarHBondContact O-N 3.37Å; S463-G868 PolarHBondContact OG-N 3Å; S463-G868 VanDerWaalsContact OG-N 3.13Å; Y801-G868 PolarHBondContact OH-O 2.57Å; R866-G868 PolarHBondContact O-N 3.17Å; R866-G868 VanDerWaalsContact O-N 3.15Å | ||
| 869 | A | 76.6 | Confident | 68.6 | Low | 21 Ų | 21 | 52.4 Ų | 52.4 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | trans | -79.1 | 161.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S463 E867 R871 | S463-A869 PolarHBondContact OG-N 3.06Å; E867-A869 PolarHBondContact O-N 3.28Å; A869-R871 PolarHBondContact O-N 2.84Å | ||
| 870 | A | 66.8 | Low | 66 | Low | 44 Ų | 44 | 59.3 Ų | 59.3 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | trans | -75.6 | 111.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 871 | R | 65.1 | Low | 63.4 | Low | 49 Ų | 49 | 68.4 Ų | 68.4 | 19% | 0.185 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 129.6 | -175.7 | -69.3 | 169.3 | 171.6 | -108.5 | -23.1 | 112.2 | A869 E885 N886 | A869-R871 PolarHBondContact O-N 2.84Å; R871-E885 PolarHBondContact NH2-O 2.7Å; R871-N886 VanDerWaalsContact CZ-OD1 3.23Å; R871-N886 PolarHBondContact NH1-OD1 2.89Å; R871-N886 PolarHBondContact NH2-OD1 2.9Å |
| 872 | P | 49.5 | Very low | 60.7 | Low | 105 Ų | 105 | 73 Ų | 73 | 68% | 0.682 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -70 | 166.1 | 161.4 | 32.1 | -34 | 0 | 0 | 0 | 110.6 | ||
| 873 | A | 41.9 | Very low | 58.4 | Low | 54 Ų | 54 | 78.9 Ų | 78.9 | 45% | 0.446 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 145.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.9 | S875 E927 | A873-S875 PolarHBondContact O-N 3.47Å; A873-E927 WeakPolarHBondContact CB-OE1 3.38Å |
| 874 | P | 41.6 | Very low | 56.2 | Low | 118 Ų | 118 | 83.7 Ų | 83.7 | 77% | 0.766 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -66 | 122.2 | -178 | 26.6 | -34.2 | 0 | 0 | 0 | 111.3 | L876 | P874-L876 PolarHBondContact O-N 3.1Š|
| 875 | S | 34.3 | Very low | 54.4 | Low | 98 Ų | 98 | 85.8 Ų | 85.8 | 69% | 0.685 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -70 | 123 | 172 | 39.4 | 0 | 0 | 0 | 0 | 110.5 | A873 G877 | A873-S875 PolarHBondContact O-N 3.47Å; S875-G877 PolarHBondContact O-N 3.16Å |
| 876 | L | 36.5 | Very low | 53.3 | Low | 189 Ų | 189 | 89.1 Ų | 89.1 | 99% | 0.99 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 97.6 | 178.7 | -138.9 | 79.6 | 0 | 0 | 0 | 109.7 | P874 | P874-L876 PolarHBondContact O-N 3.1Š|
| 877 | G | 39.2 | Very low | 53 | Low | 71 Ų | 71 | 91.6 Ų | 91.6 | 73% | 0.732 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 167.7 | -20 | 171.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | S875 | S875-G877 PolarHBondContact O-N 3.16Š|
| 878 | T | 33.6 | Very low | 53.2 | Low | 122 Ų | 122 | 90.6 Ų | 90.6 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | trans | -124.6 | 80.1 | -169 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 879 | A | 38.8 | Very low | 54 | Low | 105 Ų | 105 | 91.7 Ų | 91.7 | 87% | 0.868 | 54% | 0.543 | S | S | * | . | trans | -101.7 | 78.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 880 | D | 32.9 | Very low | 54.8 | Low | 163 Ų | 163 | 91.3 Ų | 91.3 | 87% | 0.872 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -161.6 | 18.3 | 159.4 | -136.4 | 2.3 | 0 | 0 | 0 | 116.1 | ||
| 881 | R | 36.4 | Very low | 56.2 | Low | 227 Ų | 227 | 89.3 Ų | 89.3 | 86% | 0.857 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -143.5 | 133.6 | 167.1 | -76.8 | -167.1 | 171.6 | -165.6 | -4.6 | 111 | E883 | R881-E883 PolarHBondContact O-N 3.29Š|
| 882 | P | 37 | Very low | 57.5 | Low | 117 Ų | 117 | 87.9 Ų | 87.9 | 76% | 0.76 | 52% | 0.517 | S | S | * | . | trans | -69.8 | 119.4 | 166.1 | 29.1 | -31.8 | 0 | 0 | 0 | 109.2 | ||||
| 883 | E | 48.8 | Very low | 59.6 | Low | 127 Ų | 127 | 83.9 Ų | 83.9 | 59% | 0.593 | 49% | 0.49 | S | S | * | . | trans | -68.1 | 138.1 | 170.2 | -67.5 | -168.1 | 140.1 | 0 | 0 | 110.2 | R881 E885 N886 | R881-E883 PolarHBondContact O-N 3.29Å; E883-E885 PolarHBondContact O-N 3.09Å; E883-N886 PolarHBondContact O-N 3.42Å | ||
| 884 | P | 50.9 | Low | 61.7 | Low | 102 Ų | 102 | 83.3 Ų | 83.3 | 66% | 0.662 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -61.4 | -23.1 | -174.8 | 23.9 | -34 | 0 | 0 | 0 | 113.5 | N886 Q887 | P884-N886 PolarHBondContact O-N 3.47Å; P884-Q887 PolarHBondContact O-N 3.49Å |
| 885 | E | 58.4 | Low | 63.6 | Low | 49 Ų | 49 | 80.3 Ų | 80.3 | 23% | 0.229 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -71.5 | -3.4 | 176.7 | -53.5 | -167.7 | -178.9 | 0 | 0 | 113.8 | R871 E883 R939 | R871-E885 PolarHBondContact NH2-O 2.7Å; E883-E885 PolarHBondContact O-N 3.09Å; E885-R939 IonicContact OE1-CZ 2.71Å; E885-R939 IonicContact OE1-NH1 2.61Å; E885-R939 PolarHBondContact OE1-NH1 3.29Å; E885-R939 IonicContact OE1-NH2 2.86Å; E885-R939 PolarHBondContact OE1-NH2 3.1Å; E885-R939 IonicContact OE2-NH2 3.12Å |
| 886 | N | 73.1 | Confident | 66.2 | Low | 71 Ų | 71 | 76.1 Ų | 76.1 | 38% | 0.38 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -104.5 | -10.1 | 173.7 | -76.5 | -61 | 0 | 0 | 0 | 114.7 | R871 E883 P884 W888 | R871-N886 VanDerWaalsContact CZ-OD1 3.23Å; R871-N886 PolarHBondContact NH1-OD1 2.89Å; R871-N886 PolarHBondContact NH2-OD1 2.9Å; E883-N886 PolarHBondContact O-N 3.42Å; P884-N886 PolarHBondContact O-N 3.47Å; N886-W888 PolarHBondContact O-N 3.14Å |
| 887 | Q | 88.3 | Confident | 68.6 | Low | 59 Ų | 59 | 69.7 Ų | 69.7 | 28% | 0.276 | 40% | 0.396 | S | S | . | . | trans | -69.7 | 132.3 | -176.1 | -173.6 | 55.8 | 55.9 | 0 | 0 | 111.6 | R866 P884 Y889 F898 S899 | R866-Q887 WeakPolarHBondContact CA-O 3.27Å; R866-Q887 WeakPolarHBondContact CB-O 3.42Å; P884-Q887 PolarHBondContact O-N 3.49Å; Q887-Y889 HydrophobicContact CB-CE2 4.08Å; Q887-Y889 HydrophobicContact CG-CE1 4.02Å; Q887-Y889 HydrophobicContact CG-CE2 4.02Å; Q887-Y889 WeakPolarHBondContact O-CE2 3.48Å; Q887-F898 HydrophobicContact CG-CD1 3.68Å; Q887-F898 HydrophobicContact CG-CE1 3.97Å; Q887-S899 PolarHBondContact NE2-O 3.23Å; Q887-S899 VanDerWaalsContact NE2-O 3.12Å | ||
| 888 | W | 91.3 | Very high | 70.8 | Confident | 10 Ų | 10 | 71.3 Ų | 71.3 | 4% | 0.038 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 148.5 | 169.8 | -79.3 | 91.1 | 0 | 0 | 0 | 111.1 | L829 L845 R866 N886 S899 F901 V904 | L829-W888 HydrophobicContact CD1-CZ2 4.02Å; L845-W888 HydrophobicContact CD2-CH2 3.74Å; L845-W888 HydrophobicContact CD2-CZ2 3.98Å; L845-W888 HydrophobicContact CG-CH2 3.96Å; L845-W888 HydrophobicContact CG-CZ2 4.33Å; R866-W888 HydrophobicContact CB-CD2 4.02Å; R866-W888 HydrophobicContact CB-CE3 4.37Å; R866-W888 HydrophobicContact CB-CG 4.21Å; R866-W888 HydrophobicContact CG-CD2 4.18Å; R866-W888 HydrophobicContact CG-CH2 4.38Å; R866-W888 HydrophobicContact CG-CZ2 4.03Å; N886-W888 PolarHBondContact O-N 3.14Å; W888-S899 WeakPolarHBondContact CB-O 3.33Å; W888-S899 PolarHBondContact O-N 3.33Å; W888-F901 HydrophobicContact CZ2-CD2 4.09Å; W888-V904 HydrophobicContact CD2-CG2 4.46Å; W888-V904 HydrophobicContact CE3-CG2 4.01Å; W888-V904 HydrophobicContact CH2-CG2 4.47Å; W888-V904 HydrophobicContact CZ3-CG2 4.01Å |
| 889 | Y | 93 | Very high | 73.5 | Confident | 24 Ų | 24 | 66.3 Ų | 66.3 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.9 | 178.8 | -55 | -90.3 | 0 | 0 | 0 | 109.5 | T438 K440 M461 Y864 A865 Q887 F891 V896 S897 F898 | T438-Y889 HydrophobicContact CG2-CD1 3.8Å; T438-Y889 HydrophobicContact CG2-CE1 4.13Å; K440-Y889 HydrophobicContact CG-CD1 4.15Å; K440-Y889 HydrophobicContact CG-CE1 4.09Å; M461-Y889 HydrophobicContact CE-CD2 3.91Å; M461-Y889 HydrophobicContact CE-CE2 4.13Å; Y864-Y889 CarbonylContact C-O 3.57Å; Y864-Y889 WeakPolarHBondContact CA-O 3.39Å; A865-Y889 PolarHBondContact N-O 3.33Å; A865-Y889 PolarHBondContact O-N 3.31Å; Q887-Y889 HydrophobicContact CB-CE2 4.08Å; Q887-Y889 HydrophobicContact CG-CE1 4.02Å; Q887-Y889 HydrophobicContact CG-CE2 4.02Å; Q887-Y889 WeakPolarHBondContact O-CE2 3.48Å; Y889-F891 HydrophobicContact CG-CE2 4.47Å; Y889-V896 HydrophobicContact CD1-CG1 4.45Å; Y889-S897 CarbonylContact C-O 3.54Å; Y889-S897 VanDerWaalsContact CA-O 3.24Å; Y889-S897 WeakPolarHBondContact CA-O 3.43Å; Y889-F898 HydrophobicContact CD1-CD1 4.12Å; Y889-F898 HydrophobicContact CD1-CE1 4.4Å; Y889-F898 AromaticContact CE1-CD1 3.86Å; Y889-F898 HydrophobicContact CE1-CD1 3.86Å; Y889-F898 AromaticContact CE1-CE1 3.72Å; Y889-F898 HydrophobicContact CE1-CE1 3.72Å |
| 890 | L | 94.2 | Very high | 75.8 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.1 | 168.9 | 168.2 | 56.1 | 0 | 0 | 0 | 108.6 | Y862 Y864 V896 S897 | Y862-L890 HydrophobicContact CD2-CD1 3.49Å; Y862-L890 VanDerWaalsContact CD2-CD1 3.49Å; Y862-L890 HydrophobicContact CE2-CD1 4.13Å; Y862-L890 HydrophobicContact CG-CD1 4.27Å; Y864-L890 HydrophobicContact CD1-CB 3.83Å; Y864-L890 HydrophobicContact CD1-CD1 3.92Å; Y864-L890 HydrophobicContact CD1-CG 4.38Å; Y864-L890 HydrophobicContact CE1-CB 3.75Å; Y864-L890 HydrophobicContact CE1-CD1 3.71Å; Y864-L890 HydrophobicContact CE1-CD2 4.06Å; Y864-L890 HydrophobicContact CE1-CG 4.03Å; Y864-L890 HydrophobicContact CG-CD1 4.5Å; L890-V896 VanDerWaalsContact O-CA 3.25Å; L890-V896 WeakPolarHBondContact O-CA 3.35Å; L890-S897 PolarHBondContact N-O 3.16Å; L890-S897 PolarHBondContact O-N 3.5Å |
| 891 | F | 94.9 | Very high | 78.4 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 112.2 | 174.1 | -61.2 | -97.4 | 0 | 0 | 0 | 109.2 | K440 Q457 M461 Y862 C863 A865 Y889 V896 | K440-F891 HydrophobicContact CB-CE1 4.08Å; K440-F891 HydrophobicContact CB-CZ 4.41Å; K440-F891 HydrophobicContact CG-CE1 4.49Å; K440-F891 HydrophobicContact CG-CZ 4.33Å; Q457-F891 HydrophobicContact CB-CB 4.08Å; Q457-F891 HydrophobicContact CB-CD1 4Å; Q457-F891 HydrophobicContact CB-CD2 4.49Å; Q457-F891 HydrophobicContact CB-CG 3.96Å; Q457-F891 HydrophobicContact CG-CB 4.02Å; Q457-F891 HydrophobicContact CG-CD1 3.75Å; Q457-F891 HydrophobicContact CG-CE1 4.48Å; Q457-F891 HydrophobicContact CG-CG 4.06Å; M461-F891 HydrophobicContact CE-CZ 4.38Å; M461-F891 HydrophobicContact CG-CE2 3.91Å; M461-F891 HydrophobicContact CG-CZ 3.77Å; M461-F891 HydrophobicContact SD-CE2 4.39Å; M461-F891 HydrophobicContact SD-CZ 3.85Å; Y862-F891 WeakPolarHBondContact CB-O 3.45Å; C863-F891 HydrophobicContact CB-CB 4.38Å; C863-F891 PolarHBondContact N-O 3.41Å; C863-F891 WeakPolarHBondContact O-CB 3.47Å; C863-F891 PolarHBondContact O-N 3.2Å; A865-F891 HydrophobicContact CB-CD2 4.33Å; A865-F891 HydrophobicContact CB-CE2 3.97Å; Y889-F891 HydrophobicContact CG-CE2 4.47Å; F891-V896 HydrophobicContact CD1-CB 4.24Å; F891-V896 HydrophobicContact CD1-CG1 3.68Å; F891-V896 HydrophobicContact CD1-CG2 3.51Å; F891-V896 HydrophobicContact CD2-CG1 4.4Å; F891-V896 HydrophobicContact CE1-CB 4.41Å; F891-V896 HydrophobicContact CE1-CG1 3.65Å; F891-V896 HydrophobicContact CE1-CG2 3.81Å; F891-V896 HydrophobicContact CE2-CG1 4.35Å; F891-V896 HydrophobicContact CG-CG1 4.08Å; F891-V896 HydrophobicContact CG-CG2 4.41Å; F891-V896 HydrophobicContact CZ-CG1 3.99Å |
| 892 | N | 92.1 | Very high | 80.6 | Confident | 18 Ų | 18 | 53.9 Ų | 53.9 | 10% | 0.096 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 89.8 | 179.4 | -173.6 | 4.8 | 0 | 0 | 0 | 108.6 | H860 T894 R895 | H860-N892 PolarHBondContact NE2-OD1 3.3Å; N892-T894 PolarHBondContact O-N 2.98Å; N892-T894 VanDerWaalsContact O-N 3.12Å; N892-R895 PolarHBondContact N-O 3.22Å; N892-R895 WeakPolarHBondContact O-CB 3.44Å; N892-R895 PolarHBondContact O-N 2.94Å |
| 893 | D | 93.8 | Very high | 82.8 | Confident | 22 Ų | 22 | 49.3 Ų | 49.3 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | -111.5 | -170.8 | -69.7 | -37.1 | 0 | 0 | 0 | 113.1 | G442 L443 N445 N453 H860 R895 | G442-D893 CarbonylContact C-O 3.45Å; G442-D893 VanDerWaalsContact CA-O 3.29Å; G442-D893 WeakPolarHBondContact CA-O 3.19Å; L443-D893 PolarHBondContact N-O 3.18Å; L443-D893 CarbonylContact O-C 3.6Å; L443-D893 VanDerWaalsContact O-CA 3.26Å; L443-D893 WeakPolarHBondContact O-CA 3.41Å; N445-D893 HydrophobicContact CB-CB 4.21Å; N445-D893 WeakPolarHBondContact CB-OD2 3.47Å; N445-D893 PolarHBondContact ND2-OD2 3.1Å; N453-D893 WeakPolarHBondContact CB-OD1 3.49Å; N453-D893 PolarHBondContact ND2-OD1 2.93Å; H860-D893 IonicContact CE1-OD2 3.98Å; H860-D893 PolarHBondContact CE1-OD2 3.08Å; D893-R895 PolarHBondContact O-N 3.31Å; D893-R895 VanDerWaalsContact O-N 3.14Å |
| 894 | T | 86 | Confident | 84.5 | Confident | 42 Ų | 42 | 43.4 Ų | 43.4 | 26% | 0.258 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -6 | -175.5 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | L443 I444 A498 N892 | L443-T894 PolarHBondContact O-N 3.43Å; L443-T894 VanDerWaalsContact O-N 3.13Å; I444-T894 HydrophobicContact CB-CG2 4.33Å; I444-T894 HydrophobicContact CG1-CG2 3.97Å; A498-T894 HydrophobicContact CB-CG2 3.85Å; N892-T894 PolarHBondContact O-N 2.98Å; N892-T894 VanDerWaalsContact O-N 3.12Å |
| 895 | R | 82.3 | Confident | 86.1 | Confident | 55 Ų | 55 | 40.7 Ų | 40.7 | 21% | 0.208 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.5 | -170.8 | -64.1 | 166.4 | -178.8 | -124 | -17.1 | 110.5 | H341 M433 N892 D893 | H341-R895 VanDerWaalsContact CD2-CZ 3.46Å; H341-R895 PolarHBondContact CD2-NH1 3.34Å; H341-R895 PolarHBondContact CD2-NH2 2.98Å; H341-R895 PolarHBondContact ND1-NH1 3.33Å; M433-R895 HydrophobicContact CE-CG 4.4Å; N892-R895 PolarHBondContact N-O 3.22Å; N892-R895 WeakPolarHBondContact O-CB 3.44Å; N892-R895 PolarHBondContact O-N 2.94Å; D893-R895 PolarHBondContact O-N 3.31Å; D893-R895 VanDerWaalsContact O-N 3.14Å |
| 896 | V | 89.1 | Confident | 87 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 130.4 | 162.9 | -161.4 | 0 | 0 | 0 | 0 | 108.3 | S436 T438 K440 Y889 L890 F891 | S436-V896 WeakPolarHBondContact CB-O 3.26Å; S436-V896 PolarHBondContact OG-O 2.93Å; T438-V896 HydrophobicContact CG2-CG1 4.43Å; K440-V896 HydrophobicContact CB-CB 4.13Å; K440-V896 HydrophobicContact CB-CG1 3.87Å; K440-V896 HydrophobicContact CB-CG2 4.09Å; K440-V896 HydrophobicContact CG-CG1 4.47Å; Y889-V896 HydrophobicContact CD1-CG1 4.45Å; L890-V896 VanDerWaalsContact O-CA 3.25Å; L890-V896 WeakPolarHBondContact O-CA 3.35Å; F891-V896 HydrophobicContact CD1-CB 4.24Å; F891-V896 HydrophobicContact CD1-CG1 3.68Å; F891-V896 HydrophobicContact CD1-CG2 3.51Å; F891-V896 HydrophobicContact CD2-CG1 4.4Å; F891-V896 HydrophobicContact CE1-CB 4.41Å; F891-V896 HydrophobicContact CE1-CG1 3.65Å; F891-V896 HydrophobicContact CE1-CG2 3.81Å; F891-V896 HydrophobicContact CE2-CG1 4.35Å; F891-V896 HydrophobicContact CG-CG1 4.08Å; F891-V896 HydrophobicContact CG-CG2 4.41Å; F891-V896 HydrophobicContact CZ-CG1 3.99Å |
| 897 | S | 86.1 | Confident | 87.4 | Confident | 54 Ų | 54 | 37.6 Ų | 37.6 | 38% | 0.378 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 162.3 | 171.1 | 68.7 | 0 | 0 | 0 | 0 | 110.3 | Y889 L890 | Y889-S897 CarbonylContact C-O 3.54Å; Y889-S897 VanDerWaalsContact CA-O 3.24Å; Y889-S897 WeakPolarHBondContact CA-O 3.43Å; L890-S897 PolarHBondContact N-O 3.16Å; L890-S897 PolarHBondContact O-N 3.5Å |
| 898 | F | 86.5 | Confident | 86.9 | Confident | 105 Ų | 105 | 35.5 Ų | 35.5 | 46% | 0.461 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 151.8 | 162.8 | -64.3 | -70.4 | 0 | 0 | 0 | 109.4 | T438 Q887 Y889 | T438-F898 HydrophobicContact CG2-CD1 4.03Å; T438-F898 HydrophobicContact CG2-CD2 3.93Å; T438-F898 HydrophobicContact CG2-CE1 4.1Å; T438-F898 HydrophobicContact CG2-CE2 3.99Å; T438-F898 HydrophobicContact CG2-CG 3.96Å; T438-F898 HydrophobicContact CG2-CZ 4.09Å; Q887-F898 HydrophobicContact CG-CD1 3.68Å; Q887-F898 HydrophobicContact CG-CE1 3.97Å; Y889-F898 HydrophobicContact CD1-CD1 4.12Å; Y889-F898 HydrophobicContact CD1-CE1 4.4Å; Y889-F898 AromaticContact CE1-CD1 3.86Å; Y889-F898 HydrophobicContact CE1-CD1 3.86Å; Y889-F898 AromaticContact CE1-CE1 3.72Å; Y889-F898 HydrophobicContact CE1-CE1 3.72Å |
| 899 | S | 88.9 | Confident | 86.1 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 12% | 0.119 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 179.5 | 178.2 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | Y864 Q887 W888 | Y864-S899 WeakPolarHBondContact CD1-OG 3.28Å; Y864-S899 WeakPolarHBondContact CE1-OG 3.38Å; Q887-S899 PolarHBondContact NE2-O 3.23Å; Q887-S899 VanDerWaalsContact NE2-O 3.12Å; W888-S899 WeakPolarHBondContact CB-O 3.33Å; W888-S899 PolarHBondContact O-N 3.33Å |
| 900 | S | 87.5 | Confident | 85 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | trans | -130.6 | 167.8 | 177.8 | 78.8 | 0 | 0 | 0 | 0 | 111.6 | E902 S903 V904 | S900-E902 VanDerWaalsContact C-N 3.26Å; S900-E902 WeakPolarHBondContact OG-CB 3.41Å; S900-E902 PolarHBondContact OG-N 3.19Å; S900-S903 PolarHBondContact OG-N 2.9Å; S900-S903 PolarHBondContact OG-OG 3.26Å; S900-V904 WeakPolarHBondContact O-CG2 3.18Å; S900-V904 PolarHBondContact O-N 3.41Å | ||
| 901 | F | 87.8 | Confident | 84.4 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.5 | -21.3 | 169.5 | 177.7 | -113.8 | 0 | 0 | 0 | 112.8 | I827 L829 L845 W888 V904 S905 | I827-F901 WeakPolarHBondContact O-CZ 3.21Å; L829-F901 HydrophobicContact CB-CD1 4.45Å; L829-F901 HydrophobicContact CB-CE1 3.98Å; L829-F901 HydrophobicContact CB-CE2 4.19Å; L829-F901 HydrophobicContact CB-CZ 3.84Å; L829-F901 HydrophobicContact CD1-CB 4.43Å; L829-F901 HydrophobicContact CD1-CD1 4.22Å; L829-F901 HydrophobicContact CD1-CD2 3.57Å; L829-F901 HydrophobicContact CD1-CE1 4.44Å; L829-F901 HydrophobicContact CD1-CE2 3.82Å; L829-F901 HydrophobicContact CD1-CG 3.79Å; L829-F901 HydrophobicContact CD1-CZ 4.26Å; L829-F901 HydrophobicContact CD2-CD1 4.46Å; L845-F901 HydrophobicContact CD2-CD2 4.33Å; L845-F901 HydrophobicContact CD2-CE2 3.88Å; W888-F901 HydrophobicContact CZ2-CD2 4.09Å; F901-V904 HydrophobicContact CD2-CB 4.17Å; F901-V904 HydrophobicContact CD2-CG1 4.24Å; F901-V904 HydrophobicContact CE2-CG1 4.36Å; F901-V904 WeakPolarHBondContact O-CB 3.45Å; F901-V904 PolarHBondContact O-N 3.39Å; F901-S905 WeakPolarHBondContact CE1-OG 3.46Å; F901-S905 WeakPolarHBondContact CZ-OG 3.4Å; F901-S905 WeakPolarHBondContact O-CB 3.42Å; F901-S905 PolarHBondContact O-N 2.92Å; F901-S905 PolarHBondContact O-OG 3.21Å |
| 902 | E | 83.4 | Confident | 83.9 | Confident | 137 Ų | 137 | 48.8 Ų | 48.8 | 64% | 0.64 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -68.7 | -45.1 | 174.2 | -175 | 167 | -164.8 | 0 | 0 | 110.1 | S900 V904 S905 N906 | S900-E902 VanDerWaalsContact C-N 3.26Å; S900-E902 WeakPolarHBondContact OG-CB 3.41Å; S900-E902 PolarHBondContact OG-N 3.19Å; E902-V904 PolarHBondContact O-N 3.04Å; E902-S905 PolarHBondContact O-N 2.98Å; E902-N906 WeakPolarHBondContact O-CB 3.43Å; E902-N906 PolarHBondContact O-N 3.08Å |
| 903 | S | 82.8 | Confident | 83.6 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.4 | -32.3 | 170.3 | -44.6 | 0 | 0 | 0 | 0 | 112.8 | S900 V907 | S900-S903 PolarHBondContact OG-N 2.9Å; S900-S903 PolarHBondContact OG-OG 3.26Å; S903-V907 WeakPolarHBondContact O-CG2 3.45Å |
| 904 | V | 85 | Confident | 83.6 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -76.6 | -33.1 | 174.2 | 173.4 | 0 | 0 | 0 | 0 | 112.6 | V848 Y864 W888 S900 F901 E902 V907 | V848-V904 HydrophobicContact CB-CG1 4.23Å; V848-V904 HydrophobicContact CG2-CG1 3.73Å; Y864-V904 HydrophobicContact CD1-CG2 4.02Å; Y864-V904 HydrophobicContact CD2-CG2 3.79Å; Y864-V904 HydrophobicContact CE2-CG2 4.42Å; Y864-V904 HydrophobicContact CG-CG2 3.54Å; W888-V904 HydrophobicContact CD2-CG2 4.46Å; W888-V904 HydrophobicContact CE3-CG2 4.01Å; W888-V904 HydrophobicContact CH2-CG2 4.47Å; W888-V904 HydrophobicContact CZ3-CG2 4.01Å; S900-V904 WeakPolarHBondContact O-CG2 3.18Å; S900-V904 PolarHBondContact O-N 3.41Å; F901-V904 HydrophobicContact CD2-CB 4.17Å; F901-V904 HydrophobicContact CD2-CG1 4.24Å; F901-V904 HydrophobicContact CE2-CG1 4.36Å; F901-V904 WeakPolarHBondContact O-CB 3.45Å; F901-V904 PolarHBondContact O-N 3.39Å; E902-V904 PolarHBondContact O-N 3.04Å; V904-V907 WeakPolarHBondContact O-CG2 3.4Å |
| 905 | S | 83.5 | Confident | 83.9 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 32% | 0.315 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -77.3 | -35.3 | -178.9 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | F901 E902 | F901-S905 WeakPolarHBondContact CE1-OG 3.46Å; F901-S905 WeakPolarHBondContact CZ-OG 3.4Å; F901-S905 WeakPolarHBondContact O-CB 3.42Å; F901-S905 PolarHBondContact O-N 2.92Å; F901-S905 PolarHBondContact O-OG 3.21Å; E902-S905 PolarHBondContact O-N 2.98Å |
| 906 | N | 78.3 | Confident | 84.6 | Confident | 46 Ų | 46 | 47 Ų | 47 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -93.3 | 4.4 | -172.3 | -59.6 | -6.1 | 0 | 0 | 0 | 113.6 | E902 T908 S909 F910 | E902-N906 WeakPolarHBondContact O-CB 3.43Å; E902-N906 PolarHBondContact O-N 3.08Å; N906-T908 PolarHBondContact O-N 2.97Å; N906-S909 PolarHBondContact O-N 2.91Å; N906-S909 VanDerWaalsContact O-N 3.15Å; N906-F910 HydrophobicContact CB-CD2 3.71Å; N906-F910 HydrophobicContact CB-CE1 4.37Å; N906-F910 HydrophobicContact CB-CE2 3.53Å; N906-F910 HydrophobicContact CB-CG 4.24Å; N906-F910 HydrophobicContact CB-CZ 3.89Å; N906-F910 PolarHBondContact O-N 3.15Å |
| 907 | V | 80.8 | Confident | 84.9 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -50.9 | -60.1 | -174.1 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | V850 Y864 S903 V904 S909 F910 F911 D914 | V850-V907 HydrophobicContact CG1-CG1 3.91Å; V850-V907 HydrophobicContact CG2-CG1 4.35Å; Y864-V907 HydrophobicContact CD2-CG2 4.48Å; Y864-V907 HydrophobicContact CE2-CG2 3.67Å; S903-V907 WeakPolarHBondContact O-CG2 3.45Å; V904-V907 WeakPolarHBondContact O-CG2 3.4Å; V907-S909 VanDerWaalsContact C-N 3.28Å; V907-S909 PolarHBondContact O-N 3.49Å; V907-F910 PolarHBondContact O-N 3.37Å; V907-F911 PolarHBondContact O-N 3.05Å; V907-D914 HydrophobicContact CG1-CB 3.73Å |
| 908 | T | 77.2 | Confident | 85.5 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 9% | 0.092 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.8 | -29.3 | -177.7 | -23.1 | 0 | 0 | 0 | 0 | 112.1 | D824 N906 F911 P912 D914 T915 | D824-T908 HydrophobicContact CB-CG2 4.21Å; D824-T908 WeakPolarHBondContact OD1-CB 3.27Å; D824-T908 PolarHBondContact OD1-OG1 3.37Å; N906-T908 PolarHBondContact O-N 2.97Å; T908-F911 CarbonylContact O-C 3.58Å; T908-P912 WeakPolarHBondContact O-CA 3.23Å; T908-D914 WeakPolarHBondContact CA-O 3.34Å; T908-T915 HydrophobicContact CG2-CG2 4.17Å |
| 909 | S | 74.1 | Confident | 86.1 | Confident | 79 Ų | 79 | 39.6 Ų | 39.6 | 55% | 0.552 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -71.1 | -39.2 | 179.7 | -72 | 0 | 0 | 0 | 0 | 112.6 | D824 N906 V907 | D824-S909 PolarHBondContact OD2-OG 2.91Å; N906-S909 PolarHBondContact O-N 2.91Å; N906-S909 VanDerWaalsContact O-N 3.15Å; V907-S909 VanDerWaalsContact C-N 3.28Å; V907-S909 PolarHBondContact O-N 3.49Å |
| 910 | F | 71.6 | Confident | 86.5 | Confident | 109 Ų | 109 | 38.8 Ų | 38.8 | 48% | 0.478 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -84.5 | -32.9 | 174.8 | -64.7 | -26.3 | 0 | 0 | 0 | 112.7 | N906 V907 | N906-F910 HydrophobicContact CB-CD2 3.71Å; N906-F910 HydrophobicContact CB-CE1 4.37Å; N906-F910 HydrophobicContact CB-CE2 3.53Å; N906-F910 HydrophobicContact CB-CG 4.24Å; N906-F910 HydrophobicContact CB-CZ 3.89Å; N906-F910 PolarHBondContact O-N 3.15Å; V907-F910 PolarHBondContact O-N 3.37Å |
| 911 | F | 80.9 | Confident | 86.9 | Confident | 57 Ų | 57 | 36.9 Ų | 36.9 | 25% | 0.25 | 20% | 0.195 | C | C | . | . | trans | -129.6 | 91.4 | 179.6 | -62.2 | -46.4 | 0 | 0 | 0 | 110.4 | P388 V907 T908 K913 D914 | P388-F911 HydrophobicContact CB-CE2 3.66Å; P388-F911 HydrophobicContact CB-CZ 3.83Å; P388-F911 HydrophobicContact CG-CE2 4.07Å; V907-F911 PolarHBondContact O-N 3.05Å; T908-F911 CarbonylContact O-C 3.58Å; F911-K913 PolarHBondContact O-N 3.03Å; F911-D914 HydrophobicContact CB-CB 3.79Å; F911-D914 PolarHBondContact O-N 3.18Å | ||
| 912 | P | 83.5 | Confident | 87.3 | Confident | 85 Ų | 85 | 34.9 Ų | 34.9 | 55% | 0.552 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -10.9 | 179.8 | -27.6 | 36.4 | 0 | 0 | 0 | 115.6 | T908 | T908-P912 WeakPolarHBondContact O-CA 3.23Š|
| 913 | K | 87.5 | Confident | 87.8 | Confident | 83 Ų | 83 | 31 Ų | 31 | 36% | 0.361 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -16.1 | 173.3 | -60.1 | -174.1 | 176.4 | -168.2 | 0 | 112.8 | E406 K820 G853 V854 F911 | E406-K913 IonicContact OE2-NZ 3.68Å; E406-K913 PolarHBondContact OE2-NZ 3.31Å; K820-K913 PolarHBondContact NZ-O 3.41Å; G853-K913 PolarHBondContact N-O 3.03Å; V854-K913 HydrophobicContact CG1-CD 3.6Å; V854-K913 HydrophobicContact CG1-CG 3.78Å; F911-K913 PolarHBondContact O-N 3.03Å |
| 914 | D | 91.9 | Very high | 88.1 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.043 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115.4 | -172.3 | -74.6 | 36.9 | 0 | 0 | 0 | 109.7 | V850 S852 Y862 V907 T908 F911 | V850-D914 HydrophobicContact CG1-CB 4Å; S852-D914 WeakPolarHBondContact CA-OD1 3.21Å; S852-D914 VanDerWaalsContact CB-CG 3.47Å; S852-D914 WeakPolarHBondContact CB-OD1 3.49Å; S852-D914 WeakPolarHBondContact CB-OD2 3.29Å; S852-D914 VanDerWaalsContact OG-CG 3.29Å; S852-D914 PolarHBondContact OG-OD1 2.88Å; S852-D914 PolarHBondContact OG-OD2 3.48Å; Y862-D914 VanDerWaalsContact CE1-OD2 3.25Å; Y862-D914 WeakPolarHBondContact CE1-OD2 3.41Å; Y862-D914 PolarHBondContact OH-OD2 3.26Å; V907-D914 HydrophobicContact CG1-CB 3.73Å; T908-D914 WeakPolarHBondContact CA-O 3.34Å; F911-D914 HydrophobicContact CB-CB 3.79Å; F911-D914 PolarHBondContact O-N 3.18Å |
| 915 | T | 93.8 | Very high | 88 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 126.6 | -171.3 | 62.3 | 0 | 0 | 0 | 0 | 110.4 | R808 K820 L822 H851 T908 Y917 | R808-T915 WeakPolarHBondContact CD-OG1 3.44Å; K820-T915 WeakPolarHBondContact CE-OG1 3.13Å; K820-T915 PolarHBondContact NZ-OG1 2.93Å; L822-T915 HydrophobicContact CD2-CG2 3.95Å; H851-T915 PolarHBondContact N-O 3.48Å; H851-T915 PolarHBondContact O-N 3.11Å; H851-T915 PolarHBondContact O-OG1 3.1Å; T908-T915 HydrophobicContact CG2-CG2 4.17Å; T915-Y917 PolarHBondContact O-N 3.14Å |
| 916 | A | 95.9 | Very high | 87.1 | Confident | 6 Ų | 6 | 43 Ų | 43 | 5% | 0.05 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 131.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R808 I827 V848 L919 | R808-A916 VanDerWaalsContact CD-O 3.3Å; R808-A916 WeakPolarHBondContact CD-O 3.3Å; R808-A916 PolarHBondContact NE-O 3.3Å; I827-A916 HydrophobicContact CD1-CB 3.57Å; V848-A916 HydrophobicContact CG1-CB 3.6Å; A916-L919 HydrophobicContact CB-CD2 4.2Å |
| 917 | Y | 96.8 | Very high | 85.6 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | -49.2 | -171.2 | -174.8 | -135.9 | 0 | 0 | 0 | 113.2 | D520 T805 L806 F809 V849 Y861 T915 | D520-Y917 WeakPolarHBondContact OD1-CE1 3.45Å; D520-Y917 PolarHBondContact OD1-OH 3.35Å; D520-Y917 PolarHBondContact OD2-OH 3.47Å; T805-Y917 HydrophobicContact CG2-CE2 4.06Å; L806-Y917 PolarHBondContact N-O 2.94Å; L806-Y917 WeakPolarHBondContact O-CD2 3.21Å; L806-Y917 WeakPolarHBondContact O-CE2 3.35Å; F809-Y917 HydrophobicContact CE1-CE2 4.29Å; V849-Y917 PolarHBondContact O-N 3.5Å; Y861-Y917 HydrophobicContact CE1-CD1 4.04Å; T915-Y917 PolarHBondContact O-N 3.14Å |
| 918 | V | 98.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.8 | 176.6 | -174.1 | 0 | 0 | 0 | 0 | 110 | L525 I803 L804 T805 V849 F920 | L525-V918 HydrophobicContact CD2-CG1 4.01Å; I803-V918 HydrophobicContact CG2-CG1 3.75Å; L804-V918 WeakPolarHBondContact O-CA 3.18Å; T805-V918 HydrophobicContact CG2-CG2 4.46Å; V849-V918 HydrophobicContact CB-CB 4.21Å; V849-V918 PolarHBondContact N-O 3.03Å; V849-V918 PolarHBondContact O-N 3.34Å; V918-F920 HydrophobicContact CG1-CD2 4.33Å; V918-F920 HydrophobicContact CG1-CE2 3.87Å |
| 919 | L | 98.1 | Very high | 81.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.5 | -178.3 | -43.8 | 175.9 | 0 | 0 | 0 | 109.9 | V759 I803 L804 L806 I827 V848 A916 Y921 | V759-L919 HydrophobicContact CG1-CD1 4.05Å; V759-L919 HydrophobicContact CG2-CD1 3.63Å; I803-L919 CarbonylContact C-O 3.57Å; I803-L919 WeakPolarHBondContact CA-O 3.43Å; L804-L919 HydrophobicContact CB-CB 4.24Å; L804-L919 HydrophobicContact CB-CD1 4.44Å; L804-L919 HydrophobicContact CD1-CD1 4.48Å; L804-L919 PolarHBondContact N-O 3.38Å; L804-L919 PolarHBondContact O-N 3.27Å; L806-L919 HydrophobicContact CD2-CD1 4.45Å; I827-L919 HydrophobicContact CD1-CD2 3.87Å; I827-L919 HydrophobicContact CG1-CD2 4.48Å; I827-L919 HydrophobicContact CG2-CD1 4.28Å; I827-L919 HydrophobicContact CG2-CD2 4.45Å; V848-L919 HydrophobicContact CB-CD2 4.29Å; V848-L919 HydrophobicContact CG1-CD2 3.83Å; V848-L919 HydrophobicContact CG2-CD2 3.96Å; A916-L919 HydrophobicContact CB-CD2 4.2Å; L919-Y921 HydrophobicContact CB-CD2 4.29Å; L919-Y921 HydrophobicContact CB-CE2 3.86Å; L919-Y921 HydrophobicContact CD1-CE2 4.14Å |
| 920 | F | 97.9 | Very high | 79.4 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.2 | 170.5 | -71.3 | -113.8 | 0 | 0 | 0 | 109.8 | A458 L459 L525 F570 I803 C846 S847 V918 | A458-F920 HydrophobicContact CB-CD2 4.18Å; A458-F920 HydrophobicContact CB-CE2 3.84Å; A458-F920 HydrophobicContact CB-CZ 4.25Å; L459-F920 HydrophobicContact CD2-CE1 3.94Å; L459-F920 HydrophobicContact CD2-CZ 4.25Å; L525-F920 HydrophobicContact CD1-CZ 4.14Å; L525-F920 HydrophobicContact CD2-CE2 4.24Å; L525-F920 HydrophobicContact CD2-CZ 3.82Å; F570-F920 HydrophobicContact CE1-CD1 4.36Å; F570-F920 HydrophobicContact CE1-CE1 4.08Å; I803-F920 HydrophobicContact CD1-CD1 4.37Å; I803-F920 HydrophobicContact CD1-CE1 3.76Å; I803-F920 HydrophobicContact CD1-CZ 4.15Å; I803-F920 HydrophobicContact CG1-CD1 3.81Å; I803-F920 HydrophobicContact CG1-CE1 3.67Å; I803-F920 HydrophobicContact CG1-CG 4.39Å; I803-F920 HydrophobicContact CG1-CZ 4.14Å; C846-F920 HydrophobicContact CB-CB 4.36Å; C846-F920 WeakPolarHBondContact CB-O 3.5Å; C846-F920 PolarHBondContact N-O 2.7Å; S847-F920 PolarHBondContact N-O 3.08Å; S847-F920 PolarHBondContact O-N 3.13Å; S847-F920 WeakPolarHBondContact OG-CB 3.4Å; S847-F920 WeakPolarHBondContact OG-CD2 3.44Å; V918-F920 HydrophobicContact CG1-CD2 4.33Å; V918-F920 HydrophobicContact CG1-CE2 3.87Å |
| 921 | Y | 96.9 | Very high | 77.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 140.6 | 173.7 | -71.4 | -105 | 0 | 0 | 0 | 111.6 | Y801 L802 L804 I827 P828 L831 D844 L845 L919 | Y801-Y921 CarbonylContact C-O 3.53Å; Y801-Y921 WeakPolarHBondContact CA-O 3.42Å; L802-Y921 PolarHBondContact N-O 2.87Å; L802-Y921 PolarHBondContact O-N 3.27Å; L804-Y921 HydrophobicContact CD1-CD2 4.22Å; L804-Y921 HydrophobicContact CD1-CE2 3.89Å; I827-Y921 WeakPolarHBondContact CG2-OH 3.42Å; P828-Y921 WeakPolarHBondContact O-CE1 3.22Å; P828-Y921 PolarHBondContact O-OH 3.37Å; L831-Y921 HydrophobicContact CB-CD1 3.85Å; L831-Y921 HydrophobicContact CB-CE1 3.5Å; L831-Y921 VanDerWaalsContact CB-CE1 3.5Å; L831-Y921 HydrophobicContact CD2-CE1 4.33Å; L831-Y921 HydrophobicContact CD2-CE2 4.33Å; D844-Y921 CarbonylContact O-C 3.52Å; D844-Y921 VanDerWaalsContact O-CA 3.28Å; D844-Y921 WeakPolarHBondContact O-CA 3.44Å; L845-Y921 HydrophobicContact CB-CD1 3.95Å; L845-Y921 HydrophobicContact CB-CE1 3.78Å; L845-Y921 HydrophobicContact CD1-CD1 4.21Å; L845-Y921 HydrophobicContact CD1-CD2 4Å; L845-Y921 HydrophobicContact CD1-CE1 3.87Å; L845-Y921 HydrophobicContact CD1-CE2 3.64Å; L845-Y921 HydrophobicContact CD1-CG 4.27Å; L845-Y921 HydrophobicContact CG-CE1 4.41Å; L919-Y921 HydrophobicContact CB-CD2 4.29Å; L919-Y921 HydrophobicContact CB-CE2 3.86Å; L919-Y921 HydrophobicContact CD1-CE2 4.14Å |
| 922 | R | 95.3 | Very high | 75.2 | Confident | 15 Ų | 15 | 67.5 Ų | 67.5 | 6% | 0.057 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.7 | 175.1 | -177.5 | 72.9 | -173.8 | 62.1 | 18.2 | 111.5 | D464 R800 Y801 Y843 D844 C846 R924 | D464-R922 IonicContact OD2-CZ 3.16Å; D464-R922 VanDerWaalsContact OD2-CZ 3.23Å; D464-R922 IonicContact OD2-NE 2.77Å; D464-R922 PolarHBondContact OD2-NE 2.9Å; D464-R922 IonicContact OD2-NH2 3.38Å; D464-R922 PolarHBondContact OD2-NH2 3.39Å; R800-R922 VanDerWaalsContact CG-CZ 3.41Å; R800-R922 VanDerWaalsContact CG-NH1 3.3Å; R800-R922 PolarHBondContact O-NH1 2.89Å; Y801-R922 HydrophobicContact CD1-CB 4.12Å; Y801-R922 HydrophobicContact CE1-CB 3.98Å; Y801-R922 HydrophobicContact CE1-CG 4.18Å; Y801-R922 VanDerWaalsContact CZ-CD 3.44Å; Y843-R922 CarbonylContact C-O 3.59Å; Y843-R922 WeakPolarHBondContact CA-O 3.3Å; D844-R922 PolarHBondContact N-O 3.03Å; D844-R922 PolarHBondContact O-N 3.29Å; C846-R922 WeakPolarHBondContact SG-CB 3.27Å; C846-R922 PolarHBondContact SG-N 2.72Å; R922-R924 PolarHBondContact O-N 3.1Å |
| 923 | Q | 94.1 | Very high | 73 | Confident | 56 Ų | 56 | 69.9 Ų | 69.9 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 118 | 173.2 | -172 | -167.1 | 10.7 | 0 | 0 | 111.5 | R800 Q841 Y843 | R800-Q923 WeakPolarHBondContact O-CB 3.38Å; R800-Q923 PolarHBondContact O-N 3.39Å; Q841-Q923 HydrophobicContact CG-CG 3.72Å; Y843-Q923 HydrophobicContact CD1-CB 4.1Å; Y843-Q923 HydrophobicContact CE1-CB 3.54Å; Y843-Q923 HydrophobicContact CE1-CG 4.2Å; Y843-Q923 HydrophobicContact CE2-CG 4.4Å |
| 924 | R | 89.3 | Confident | 70.2 | Confident | 73 Ų | 73 | 69 Ų | 69 | 28% | 0.275 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 134.8 | 174.4 | -167.9 | 179.2 | -72.4 | -162 | -2.6 | 110.2 | Q841 A842 D844 R922 | Q841-R924 PolarHBondContact NE2-O 3.02Å; A842-R924 HydrophobicContact CB-CB 4.04Å; A842-R924 PolarHBondContact O-N 2.89Å; D844-R924 VanDerWaalsContact CG-NH2 3.34Å; D844-R924 IonicContact OD1-CZ 3.25Å; D844-R924 IonicContact OD1-NE 2.67Å; D844-R924 IonicContact OD1-NH2 3.17Å; D844-R924 PolarHBondContact OD1-NH2 3.33Å; D844-R924 IonicContact OD2-CZ 2.7Å; D844-R924 IonicContact OD2-NE 2.73Å; D844-R924 PolarHBondContact OD2-NE 2.95Å; D844-R924 IonicContact OD2-NH2 2.73Å; D844-R924 PolarHBondContact OD2-NH2 3.26Å; D844-R924 VanDerWaalsContact OD2-NH2 3.16Å; R922-R924 PolarHBondContact O-N 3.1Å |
| 925 | P | 83.1 | Confident | 67.1 | Low | 76 Ų | 76 | 73.2 Ų | 73.2 | 49% | 0.494 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 154.3 | 176.3 | 25.2 | -34.8 | 0 | 0 | 0 | 111.8 | ||
| 926 | R | 64.8 | Low | 64 | Low | 171 Ų | 171 | 78.7 Ų | 78.7 | 65% | 0.645 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 135.1 | 174.8 | -68.5 | -176.6 | 178.4 | -176.5 | -1.3 | 110.2 | ||
| 927 | E | 47.1 | Very low | 61 | Low | 170 Ų | 170 | 89 Ų | 89 | 79% | 0.794 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 134.2 | 166.1 | -64.6 | 176.6 | 164.8 | 0 | 0 | 109.4 | A873 | A873-E927 WeakPolarHBondContact CB-OE1 3.38Š|
| 928 | G | 36.6 | Very low | 57.8 | Low | 51 Ų | 51 | 93.9 Ų | 93.9 | 53% | 0.526 | 53% | 0.528 | S | S | . | . | trans | -173.1 | 159.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E930 | G928-E930 VanDerWaalsContact C-N 3.28Å; G928-E930 PolarHBondContact O-N 3.4Å | ||
| 929 | P | 34.8 | Very low | 54.9 | Low | 139 Ų | 139 | 103 Ų | 103 | 90% | 0.903 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -72.4 | -14.1 | -169.5 | -20 | 34.4 | 0 | 0 | 0 | 115.6 | A931 | P929-A931 VanDerWaalsContact C-N 3.26Å; P929-A931 PolarHBondContact O-N 3.27Å |
| 930 | E | 30.2 | Very low | 52 | Low | 192 Ų | 192 | 108 Ų | 108 | 90% | 0.897 | 59% | 0.594 | S | S | * | * | trans | -91.5 | 36.9 | -173.2 | -60.8 | -178.3 | 151.2 | 0 | 0 | 112.8 | G928 E932 | G928-E930 VanDerWaalsContact C-N 3.28Å; G928-E930 PolarHBondContact O-N 3.4Å; E930-E932 PolarHBondContact O-N 2.94Å | ||
| 931 | A | 32.5 | Very low | 49.6 | Very low | 88 Ų | 88 | 116 Ų | 116 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | trans | -77 | 98.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | P929 S933 | P929-A931 VanDerWaalsContact C-N 3.26Å; P929-A931 PolarHBondContact O-N 3.27Å; A931-S933 PolarHBondContact O-N 3.09Å | ||
| 932 | E | 30.9 | Very low | 47.7 | Very low | 188 Ų | 188 | 117.4 Ų | 117.4 | 88% | 0.879 | 64% | 0.64 | S | S | * | * | trans | -52.3 | 136.5 | 178.5 | -66.9 | -170.6 | 131.2 | 0 | 0 | 112.2 | E930 G934 | E930-E932 PolarHBondContact O-N 2.94Å; E932-G934 VanDerWaalsContact C-N 3.3Å; E932-G934 PolarHBondContact O-N 3.44Å | ||
| 933 | S | 37 | Very low | 46 | Very low | 135 Ų | 135 | 123 Ų | 123 | 94% | 0.944 | 68% | 0.676 | S | S | * | * | trans | -73 | 79.1 | 178.8 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | A931 | A931-S933 PolarHBondContact O-N 3.09Š| ||
| 934 | G | 29.3 | Very low | 45.2 | Very low | 64 Ų | 64 | 121.2 Ų | 121.2 | 66% | 0.66 | 67% | 0.668 | S | S | * | * | trans | -137.9 | 93.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | E932 | E932-G934 VanDerWaalsContact C-N 3.3Å; E932-G934 PolarHBondContact O-N 3.44Å | ||
| 935 | S | 27.1 | Very low | 44.7 | Very low | 97 Ų | 97 | 120.1 Ų | 120.1 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | trans | 64.6 | 118.2 | 166 | -171.7 | 0 | 0 | 0 | 0 | 117.6 | R937 | S935-R937 PolarHBondContact O-N 3.48Š| ||
| 936 | S | 29.4 | Very low | 44.6 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 81% | 0.811 | 67% | 0.672 | S | S | * | * | trans | -66.5 | 85 | 154.2 | 46.7 | 0 | 0 | 0 | 0 | 109.8 | V938 | S936-V938 VanDerWaalsContact C-N 3.34Å; S936-V938 PolarHBondContact O-N 3.43Å | ||
| 937 | R | 31.7 | Very low | 45.5 | Very low | 224 Ų | 224 | 120.2 Ų | 120.2 | 85% | 0.845 | 67% | 0.669 | S | S | * | * | trans | -65.5 | 95.4 | 170.7 | -74.9 | -174.2 | 174.1 | 176.5 | -0.5 | 109.7 | S935 R939 | S935-R937 PolarHBondContact O-N 3.48Å; R937-R939 PolarHBondContact O-N 2.98Å | ||
| 938 | V | 30.1 | Very low | 47.4 | Very low | 115 Ų | 115 | 112.2 Ų | 112.2 | 70% | 0.697 | 63% | 0.631 | S | S | * | * | trans | -43.3 | 132.1 | 156.2 | 177.5 | 0 | 0 | 0 | 0 | 107.7 | S936 T940 | S936-V938 VanDerWaalsContact C-N 3.34Å; S936-V938 PolarHBondContact O-N 3.43Å; V938-T940 PolarHBondContact O-N 2.99Å | ||
| 939 | R | 37.4 | Very low | 49.8 | Very low | 193 Ų | 193 | 113.8 Ų | 113.8 | 73% | 0.728 | 63% | 0.626 | S | S | * | * | trans | -68.1 | 78.6 | 172.2 | -78.2 | -173.4 | 176.9 | 171.7 | 0.7 | 109 | E885 R937 E941 | E885-R939 IonicContact OE1-CZ 2.71Å; E885-R939 IonicContact OE1-NH1 2.61Å; E885-R939 PolarHBondContact OE1-NH1 3.29Å; E885-R939 IonicContact OE1-NH2 2.86Å; E885-R939 PolarHBondContact OE1-NH2 3.1Å; E885-R939 IonicContact OE2-NH2 3.12Å; R937-R939 PolarHBondContact O-N 2.98Å; R939-E941 PolarHBondContact O-N 3.04Å | ||
| 940 | T | 35.9 | Very low | 52.3 | Low | 104 Ų | 104 | 112.7 Ų | 112.7 | 64% | 0.638 | 61% | 0.609 | S | S | * | * | trans | -70.9 | 112 | 162 | 40.8 | 0 | 0 | 0 | 0 | 108 | V938 | V938-T940 PolarHBondContact O-N 2.99Š| ||
| 941 | E | 48 | Very low | 55.1 | Low | 168 Ų | 168 | 105 Ų | 105 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | trans | -55.5 | 140.8 | 171 | -65.4 | 177.1 | 154.4 | 0 | 0 | 109.3 | R939 T943 | R939-E941 PolarHBondContact O-N 3.04Å; E941-T943 PolarHBondContact O-N 2.89Å; E941-T943 VanDerWaalsContact O-N 3.08Å | ||
| 942 | P | 56.4 | Low | 57.8 | Low | 30 Ų | 30 | 101 Ų | 101 | 20% | 0.195 | 54% | 0.544 | C | S | . | . | trans | -65.5 | 111.5 | 176.5 | 26.7 | -31.6 | 0 | 0 | 0 | 109.9 | L470 R471 L944 | L470-P942 HydrophobicContact CB-CG 4.3Å; R471-P942 HydrophobicContact CG-CB 3.57Å; R471-P942 HydrophobicContact CG-CG 4.43Å; P942-L944 PolarHBondContact O-N 3.03Å | ||
| 943 | T | 61 | Low | 60.5 | Low | 134 Ų | 134 | 95 Ų | 95 | 82% | 0.822 | 52% | 0.523 | S | S | * | . | trans | -61.6 | 108.8 | 170.9 | 51.2 | 0 | 0 | 0 | 0 | 109.3 | E941 | E941-T943 PolarHBondContact O-N 2.89Å; E941-T943 VanDerWaalsContact O-N 3.08Å | ||
| 944 | L | 76.1 | Confident | 62.9 | Low | 18 Ų | 18 | 95.4 Ų | 95.4 | 9% | 0.094 | 51% | 0.508 | C | S | . | . | trans | -63.4 | 158.6 | 176.8 | -63.2 | -178.5 | 0 | 0 | 0 | 111.7 | L470 H493 P942 L948 M949 | L470-L944 HydrophobicContact CB-CD2 3.89Å; L470-L944 HydrophobicContact CD1-CD2 4.42Å; L470-L944 HydrophobicContact CD2-CD2 3.84Å; L470-L944 HydrophobicContact CG-CD2 4.24Å; H493-L944 VanDerWaalsContact CD2-CD1 3.48Å; H493-L944 WeakPolarHBondContact CD2-CD1 3.33Å; P942-L944 PolarHBondContact O-N 3.03Å; L944-L948 HydrophobicContact CB-CD2 4.48Å; L944-L948 HydrophobicContact CD1-CD2 4.25Å; L944-M949 HydrophobicContact CB-CG 3.8Å; L944-M949 HydrophobicContact CB-SD 3.99Å; L944-M949 HydrophobicContact CD1-SD 3.96Å; L944-M949 HydrophobicContact CG-SD 4.43Å | ||
| 945 | H | 79.4 | Confident | 65.8 | Low | 50 Ų | 50 | 93.7 Ų | 93.7 | 23% | 0.231 | 48% | 0.484 | C | S | . | . | trans | -56.7 | 143.9 | 176.6 | -60.9 | -27.4 | 0 | 0 | 0 | 112 | L472 T473 E474 D947 L948 M949 | L472-H945 PolarHBondContact O-NE2 3.47Å; T473-H945 VanDerWaalsContact CA-NE2 3.26Å; T473-H945 WeakPolarHBondContact CA-NE2 3.48Å; E474-H945 HydrophobicContact CG-CB 4.2Å; E474-H945 PolarHBondContact N-NE2 2.96Å; E474-H945 IonicContact OE1-CE1 3.27Å; E474-H945 IonicContact OE1-CG 2.8Å; E474-H945 IonicContact OE1-ND1 2.92Å; H945-D947 VanDerWaalsContact C-N 3.3Å; H945-D947 PolarHBondContact O-N 3.07Å; H945-L948 HydrophobicContact CB-CB 4.43Å; H945-L948 PolarHBondContact O-N 3.15Å; H945-M949 PolarHBondContact O-N 2.99Å | ||
| 946 | K | 81.6 | Confident | 68.7 | Low | 142 Ų | 142 | 90 Ų | 90 | 62% | 0.617 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -58.1 | -44.4 | -173 | -171.1 | -166.8 | 168.5 | -123.4 | 0 | 111.5 | L948 M949 E950 | K946-L948 PolarHBondContact O-N 2.71Å; K946-M949 PolarHBondContact O-N 3.33Å; K946-E950 IonicContact NZ-OE2 3.91Å; K946-E950 WeakPolarHBondContact O-CB 3.27Å; K946-E950 PolarHBondContact O-N 3.48Å |
| 947 | D | 83.4 | Confident | 71.4 | Confident | 107 Ų | 107 | 88.7 Ų | 88.7 | 57% | 0.572 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.8 | -34.4 | -176.3 | -62.4 | 3.4 | 0 | 0 | 0 | 112.3 | H945 A951 | H945-D947 VanDerWaalsContact C-N 3.3Å; H945-D947 PolarHBondContact O-N 3.07Å; D947-A951 WeakPolarHBondContact O-CB 3.21Å; D947-A951 PolarHBondContact O-N 3.44Å |
| 948 | L | 86.3 | Confident | 73.9 | Confident | 2 Ų | 2 | 81.9 Ų | 81.9 | 1% | 0.01 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.9 | -44.4 | 172.8 | 175.1 | 56.8 | 0 | 0 | 0 | 110.7 | Q485 W486 F490 L944 H945 K946 A951 I952 | Q485-L948 HydrophobicContact CG-CD2 4.36Å; W486-L948 HydrophobicContact CB-CD1 4.41Å; W486-L948 HydrophobicContact CD2-CD1 3.67Å; W486-L948 HydrophobicContact CE3-CD1 3.67Å; W486-L948 HydrophobicContact CG-CD1 4.03Å; W486-L948 HydrophobicContact CH2-CD1 4.43Å; W486-L948 HydrophobicContact CZ2-CB 4.32Å; W486-L948 HydrophobicContact CZ2-CD1 4.44Å; W486-L948 HydrophobicContact CZ3-CD1 4.07Å; F490-L948 HydrophobicContact CD2-CD1 4.35Å; F490-L948 HydrophobicContact CE2-CD1 4.21Å; L944-L948 HydrophobicContact CB-CD2 4.48Å; L944-L948 HydrophobicContact CD1-CD2 4.25Å; H945-L948 HydrophobicContact CB-CB 4.43Å; H945-L948 PolarHBondContact O-N 3.15Å; K946-L948 PolarHBondContact O-N 2.71Å; L948-A951 PolarHBondContact O-N 2.92Å; L948-I952 HydrophobicContact CD1-CD1 3.73Å; L948-I952 HydrophobicContact CD1-CG1 4.15Å; L948-I952 HydrophobicContact CG-CD1 3.85Å; L948-I952 WeakPolarHBondContact O-CD1 3.43Å; L948-I952 VanDerWaalsContact O-CG1 3.27Å; L948-I952 WeakPolarHBondContact O-CG1 3.47Å; L948-I952 PolarHBondContact O-N 3.4Å |
| 949 | M | 86.4 | Confident | 76.3 | Confident | 83 Ų | 83 | 77 Ų | 77 | 41% | 0.409 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 174.9 | -74.1 | -61.1 | -73.3 | 0 | 0 | 112.7 | L944 H945 K946 S953 | L944-M949 HydrophobicContact CB-CG 3.8Å; L944-M949 HydrophobicContact CB-SD 3.99Å; L944-M949 HydrophobicContact CD1-SD 3.96Å; L944-M949 HydrophobicContact CG-SD 4.43Å; H945-M949 PolarHBondContact O-N 2.99Å; K946-M949 PolarHBondContact O-N 3.33Å; M949-S953 WeakPolarHBondContact O-CB 3.43Å; M949-S953 PolarHBondContact O-N 3.28Å |
| 950 | E | 88.6 | Confident | 78.4 | Confident | 117 Ų | 117 | 72.5 Ų | 72.5 | 55% | 0.547 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 175.9 | -167.8 | 171.6 | 144.4 | 0 | 0 | 111.1 | K946 S953 K954 | K946-E950 IonicContact NZ-OE2 3.91Å; K946-E950 WeakPolarHBondContact O-CB 3.27Å; K946-E950 PolarHBondContact O-N 3.48Å; E950-S953 PolarHBondContact O-N 3.03Å; E950-K954 VanDerWaalsContact O-CB 3.25Å; E950-K954 WeakPolarHBondContact O-CB 3.33Å; E950-K954 PolarHBondContact O-N 2.9Å |
| 951 | A | 87.8 | Confident | 80.4 | Confident | 29 Ų | 29 | 72.9 Ų | 72.9 | 24% | 0.24 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W486 D947 L948 K954 D955 | W486-A951 HydrophobicContact CH2-CB 3.62Å; W486-A951 HydrophobicContact CZ3-CB 3.57Å; D947-A951 WeakPolarHBondContact O-CB 3.21Å; D947-A951 PolarHBondContact O-N 3.44Å; L948-A951 PolarHBondContact O-N 2.92Å; A951-K954 PolarHBondContact O-N 3.16Å; A951-D955 VanDerWaalsContact O-CB 3.26Å; A951-D955 WeakPolarHBondContact O-CB 3.43Å; A951-D955 PolarHBondContact O-N 2.75Å |
| 952 | I | 89.1 | Confident | 81.8 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 176 | -67.8 | 161.7 | 0 | 0 | 0 | 110.8 | G489 F490 H493 L948 D955 N956 | G489-I952 WeakPolarHBondContact O-CD1 3.34Å; F490-I952 HydrophobicContact CD1-CG1 3.99Å; F490-I952 HydrophobicContact CD2-CD1 4.46Å; F490-I952 HydrophobicContact CD2-CG1 3.85Å; F490-I952 HydrophobicContact CE1-CB 4.38Å; F490-I952 HydrophobicContact CE1-CG1 3.84Å; F490-I952 HydrophobicContact CE2-CG1 3.7Å; F490-I952 HydrophobicContact CG-CG1 3.99Å; F490-I952 HydrophobicContact CZ-CB 4.42Å; F490-I952 HydrophobicContact CZ-CG1 3.7Å; H493-I952 HydrophobicContact CB-CG2 3.87Å; L948-I952 HydrophobicContact CD1-CD1 3.73Å; L948-I952 HydrophobicContact CD1-CG1 4.15Å; L948-I952 HydrophobicContact CG-CD1 3.85Å; L948-I952 WeakPolarHBondContact O-CD1 3.43Å; L948-I952 VanDerWaalsContact O-CG1 3.27Å; L948-I952 WeakPolarHBondContact O-CG1 3.47Å; L948-I952 PolarHBondContact O-N 3.4Å; I952-D955 PolarHBondContact O-N 3Å; I952-N956 WeakPolarHBondContact O-CB 3.36Å; I952-N956 PolarHBondContact O-N 2.83Å; I952-N956 PolarHBondContact O-ND2 3.2Å |
| 953 | S | 87.8 | Confident | 82.5 | Confident | 64 Ų | 64 | 70.6 Ų | 70.6 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 177.9 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | M949 E950 D955 N956 I957 | M949-S953 WeakPolarHBondContact O-CB 3.43Å; M949-S953 PolarHBondContact O-N 3.28Å; E950-S953 PolarHBondContact O-N 3.03Å; S953-D955 VanDerWaalsContact C-N 3.34Å; S953-D955 PolarHBondContact O-N 2.78Å; S953-N956 PolarHBondContact O-N 3.37Å; S953-I957 WeakPolarHBondContact O-CD1 3.25Å; S953-I957 VanDerWaalsContact O-CG1 3.26Å; S953-I957 WeakPolarHBondContact O-CG1 3.32Å; S953-I957 PolarHBondContact O-N 3.01Å |
| 954 | K | 89.1 | Confident | 82.9 | Confident | 142 Ų | 142 | 68.9 Ų | 68.9 | 62% | 0.617 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.4 | -42.3 | 176.2 | -177.3 | 178.8 | -179.8 | 179.9 | 0 | 112.3 | E950 A951 I957 L958 | E950-K954 VanDerWaalsContact O-CB 3.25Å; E950-K954 WeakPolarHBondContact O-CB 3.33Å; E950-K954 PolarHBondContact O-N 2.9Å; A951-K954 PolarHBondContact O-N 3.16Å; K954-I957 PolarHBondContact O-N 3.13Å; K954-L958 HydrophobicContact CG-CD1 4.4Å; K954-L958 WeakPolarHBondContact O-CG 3.46Å; K954-L958 PolarHBondContact O-N 2.81Å |
| 955 | D | 88.6 | Confident | 82.6 | Confident | 29 Ų | 29 | 75.4 Ų | 75.4 | 16% | 0.155 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 178 | -172.9 | 68.4 | 0 | 0 | 0 | 112.5 | F490 R496 A951 I952 S953 L958 Y959 | F490-D955 HydrophobicContact CE1-CB 3.8Å; F490-D955 WeakPolarHBondContact CE1-OD2 3.28Å; F490-D955 HydrophobicContact CZ-CB 4.33Å; R496-D955 IonicContact CZ-OD1 3.61Å; R496-D955 IonicContact CZ-OD2 3.11Å; R496-D955 IonicContact NH1-OD1 2.84Å; R496-D955 PolarHBondContact NH1-OD1 3.26Å; R496-D955 IonicContact NH1-OD2 2.8Å; R496-D955 PolarHBondContact NH1-OD2 2.84Å; R496-D955 IonicContact NH2-OD1 2.68Å; R496-D955 PolarHBondContact NH2-OD1 3.12Å; R496-D955 IonicContact NH2-OD2 2.78Å; A951-D955 VanDerWaalsContact O-CB 3.26Å; A951-D955 WeakPolarHBondContact O-CB 3.43Å; A951-D955 PolarHBondContact O-N 2.75Å; I952-D955 PolarHBondContact O-N 3Å; S953-D955 VanDerWaalsContact C-N 3.34Å; S953-D955 PolarHBondContact O-N 2.78Å; D955-L958 PolarHBondContact O-N 2.81Å; D955-Y959 PolarHBondContact O-N 3.33Å |
| 956 | N | 88.8 | Confident | 81.8 | Confident | 20 Ų | 20 | 75.7 Ų | 75.7 | 11% | 0.107 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 173.9 | -73.3 | -20.3 | 0 | 0 | 0 | 112.1 | H493 S494 Q495 I952 S953 Y959 L960 | H493-N956 PolarHBondContact O-ND2 3.42Å; S494-N956 WeakPolarHBondContact CA-OD1 3.39Å; Q495-N956 HydrophobicContact CG-CB 4.15Å; Q495-N956 PolarHBondContact N-OD1 2.9Å; I952-N956 WeakPolarHBondContact O-CB 3.36Å; I952-N956 PolarHBondContact O-N 2.83Å; I952-N956 PolarHBondContact O-ND2 3.2Å; S953-N956 PolarHBondContact O-N 3.37Å; N956-Y959 PolarHBondContact O-N 3.32Å; N956-L960 WeakPolarHBondContact O-CG 3.4Å; N956-L960 PolarHBondContact O-N 3.19Å |
| 957 | I | 85.9 | Confident | 80.6 | Confident | 87 Ų | 87 | 71.6 Ų | 71.6 | 45% | 0.446 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.4 | -70.8 | 162.9 | 0 | 0 | 0 | 110.8 | S953 K954 L960 Q961 | S953-I957 WeakPolarHBondContact O-CD1 3.25Å; S953-I957 VanDerWaalsContact O-CG1 3.26Å; S953-I957 WeakPolarHBondContact O-CG1 3.32Å; S953-I957 PolarHBondContact O-N 3.01Å; K954-I957 PolarHBondContact O-N 3.13Å; I957-L960 PolarHBondContact O-N 3.03Å; I957-Q961 WeakPolarHBondContact O-CG 3.49Å; I957-Q961 PolarHBondContact O-N 3.26Å |
| 958 | L | 84.5 | Confident | 79.5 | Confident | 82 Ų | 82 | 73.9 Ų | 73.9 | 43% | 0.429 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 176.6 | -73.8 | 167.4 | 0 | 0 | 0 | 111.7 | K954 D955 L960 Q961 E962 | K954-L958 HydrophobicContact CG-CD1 4.4Å; K954-L958 WeakPolarHBondContact O-CG 3.46Å; K954-L958 PolarHBondContact O-N 2.81Å; D955-L958 PolarHBondContact O-N 2.81Å; L958-L960 PolarHBondContact O-N 3.08Å; L958-Q961 WeakPolarHBondContact O-CB 3.33Å; L958-Q961 PolarHBondContact O-N 3.36Å; L958-Q961 VanDerWaalsContact O-N 3.17Å; L958-E962 PolarHBondContact O-N 3.2Å |
| 959 | Y | 81.2 | Confident | 78.1 | Confident | 11 Ų | 11 | 77.3 Ų | 77.3 | 4% | 0.043 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 176.7 | 174.9 | -110.3 | 0 | 0 | 0 | 112.7 | Q495 R496 D955 N956 Q961 E962 Q963 | Q495-Y959 HydrophobicContact CB-CD1 4.12Å; Q495-Y959 HydrophobicContact CB-CE1 4.43Å; Q495-Y959 WeakPolarHBondContact O-CE1 3.33Å; R496-Y959 HydrophobicContact CG-CD1 4.3Å; R496-Y959 HydrophobicContact CG-CD2 3.74Å; R496-Y959 HydrophobicContact CG-CE2 4.17Å; R496-Y959 HydrophobicContact CG-CG 3.8Å; D955-Y959 PolarHBondContact O-N 3.33Å; N956-Y959 PolarHBondContact O-N 3.32Å; Y959-Q961 VanDerWaalsContact C-N 3.32Å; Y959-Q961 PolarHBondContact O-N 2.91Å; Y959-E962 PolarHBondContact O-N 3.1Å; Y959-Q963 HydrophobicContact CE1-CG 4.26Å; Y959-Q963 HydrophobicContact CE2-CG 4.08Å; Y959-Q963 PolarHBondContact O-N 3Å; Y959-Q963 PolarHBondContact OH-NE2 3.34Å |
| 960 | L | 80.7 | Confident | 76.3 | Confident | 99 Ų | 99 | 79.9 Ų | 79.9 | 52% | 0.518 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.5 | -34.4 | 174.1 | -71.6 | 169.6 | 0 | 0 | 0 | 112.1 | N956 I957 L958 E964 | N956-L960 WeakPolarHBondContact O-CG 3.4Å; N956-L960 PolarHBondContact O-N 3.19Å; I957-L960 PolarHBondContact O-N 3.03Å; L958-L960 PolarHBondContact O-N 3.08Å; L960-E964 WeakPolarHBondContact O-CB 3.41Å; L960-E964 PolarHBondContact O-N 3.1Å |
| 961 | Q | 77.7 | Confident | 74 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 52% | 0.523 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70 | -35.8 | 172.7 | -71.8 | 172.5 | 2.7 | 0 | 0 | 112.6 | I957 L958 Y959 K965 | I957-Q961 WeakPolarHBondContact O-CG 3.49Å; I957-Q961 PolarHBondContact O-N 3.26Å; L958-Q961 WeakPolarHBondContact O-CB 3.33Å; L958-Q961 PolarHBondContact O-N 3.36Å; L958-Q961 VanDerWaalsContact O-N 3.17Å; Y959-Q961 VanDerWaalsContact C-N 3.32Å; Y959-Q961 PolarHBondContact O-N 2.91Å; Q961-K965 VanDerWaalsContact O-CB 3.25Å; Q961-K965 WeakPolarHBondContact O-CB 3.44Å; Q961-K965 PolarHBondContact O-N 3.47Å |
| 962 | E | 77.8 | Confident | 72 | Confident | 67 Ų | 67 | 78.4 Ų | 78.4 | 31% | 0.313 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 171.4 | -72.6 | -171 | 111.4 | 0 | 0 | 111 | R431 L958 Y959 K965 E966 | R431-E962 IonicContact CZ-OE1 3.55Å; R431-E962 VanDerWaalsContact CZ-OE1 3.31Å; R431-E962 IonicContact NE-OE1 3.02Å; R431-E962 PolarHBondContact NE-OE1 3.45Å; R431-E962 IonicContact NH2-OE1 3.73Å; R431-E962 PolarHBondContact NH2-OE1 3.15Å; L958-E962 PolarHBondContact O-N 3.2Å; Y959-E962 PolarHBondContact O-N 3.1Å; E962-K965 PolarHBondContact O-N 3.17Å; E962-E966 PolarHBondContact O-N 3.33Å |
| 963 | Q | 70.7 | Confident | 69.6 | Low | 84 Ų | 84 | 82.8 Ų | 82.8 | 39% | 0.393 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 176.3 | -78 | -145.2 | -31.3 | 0 | 0 | 112.7 | Y959 K965 E966 A967 | Y959-Q963 HydrophobicContact CE1-CG 4.26Å; Y959-Q963 HydrophobicContact CE2-CG 4.08Å; Y959-Q963 PolarHBondContact O-N 3Å; Y959-Q963 PolarHBondContact OH-NE2 3.34Å; Q963-K965 VanDerWaalsContact C-N 3.35Å; Q963-K965 PolarHBondContact O-N 2.92Å; Q963-E966 PolarHBondContact O-N 3.31Å; Q963-A967 WeakPolarHBondContact O-CB 2.94Å; Q963-A967 PolarHBondContact O-N 2.73Å |
| 964 | E | 69.9 | Low | 67.1 | Low | 98 Ų | 98 | 85 Ų | 85 | 46% | 0.458 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 177.1 | -164.2 | -168 | -166.6 | 0 | 0 | 111.1 | L960 A967 R968 | L960-E964 WeakPolarHBondContact O-CB 3.41Å; L960-E964 PolarHBondContact O-N 3.1Å; E964-A967 PolarHBondContact O-N 2.72Å; E964-R968 VanDerWaalsContact CD-CZ 3.48Å; E964-R968 VanDerWaalsContact CD-NE 3.33Å; E964-R968 HydrophobicContact CG-CG 4.38Å; E964-R968 VanDerWaalsContact O-CB 3.3Å; E964-R968 WeakPolarHBondContact O-CB 3.28Å; E964-R968 WeakPolarHBondContact O-CG 3.48Å; E964-R968 PolarHBondContact O-N 3.18Å; E964-R968 IonicContact OE1-CZ 2.7Å; E964-R968 VanDerWaalsContact OE1-CZ 3.25Å; E964-R968 IonicContact OE1-NE 3.24Å; E964-R968 PolarHBondContact OE1-NE 2.74Å; E964-R968 VanDerWaalsContact OE1-NE 3.12Å; E964-R968 IonicContact OE1-NH2 2.72Å; E964-R968 PolarHBondContact OE1-NH2 2.96Å; E964-R968 IonicContact OE2-CZ 3.9Å; E964-R968 IonicContact OE2-NE 3.37Å; E964-R968 IonicContact OE2-NH2 2.75Å; E964-R968 PolarHBondContact OE2-NH2 2.95Å; E964-R968 VanDerWaalsContact OE2-NH2 3.09Å |
| 965 | K | 68.7 | Low | 64.6 | Low | 155 Ų | 155 | 83.1 Ų | 83.1 | 67% | 0.674 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.3 | -46.2 | 174.9 | -175.8 | -177.3 | 178.3 | -173.7 | 0 | 111.2 | Q961 E962 Q963 R968 S969 | Q961-K965 VanDerWaalsContact O-CB 3.25Å; Q961-K965 WeakPolarHBondContact O-CB 3.44Å; Q961-K965 PolarHBondContact O-N 3.47Å; E962-K965 PolarHBondContact O-N 3.17Å; Q963-K965 VanDerWaalsContact C-N 3.35Å; Q963-K965 PolarHBondContact O-N 2.92Å; K965-R968 PolarHBondContact O-N 2.77Å; K965-S969 PolarHBondContact O-N 3.24Å; K965-S969 PolarHBondContact O-OG 3.27Å |
| 966 | E | 63.4 | Low | 62.1 | Low | 55 Ų | 55 | 85.6 Ų | 85.6 | 26% | 0.257 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 178.1 | -160.7 | -173.7 | 126.9 | 0 | 0 | 111.7 | E962 Q963 R968 S969 R970 | E962-E966 PolarHBondContact O-N 3.33Å; Q963-E966 PolarHBondContact O-N 3.31Å; E966-R968 VanDerWaalsContact C-N 3.34Å; E966-R968 PolarHBondContact O-N 2.88Å; E966-S969 WeakPolarHBondContact O-CB 3.38Å; E966-S969 PolarHBondContact O-N 3.24Å; E966-S969 VanDerWaalsContact O-N 3.15Å; E966-R970 HydrophobicContact CG-CG 4.48Å; E966-R970 WeakPolarHBondContact O-CB 3.38Å; E966-R970 WeakPolarHBondContact O-CG 3.48Å; E966-R970 PolarHBondContact O-N 3.48Å; E966-R970 IonicContact OE1-CZ 3.95Å; E966-R970 IonicContact OE1-NH1 3.38Å; E966-R970 PolarHBondContact OE1-NH1 2.81Å |
| 967 | A | 57.3 | Low | 59.3 | Low | 56 Ų | 56 | 89.3 Ų | 89.3 | 46% | 0.463 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q963 E964 R970 A971 | Q963-A967 WeakPolarHBondContact O-CB 2.94Å; Q963-A967 PolarHBondContact O-N 2.73Å; E964-A967 PolarHBondContact O-N 2.72Å; A967-R970 PolarHBondContact O-N 3.39Å; A967-A971 WeakPolarHBondContact O-CB 3.4Å; A967-A971 PolarHBondContact O-N 3.48Å |
| 968 | R | 59.9 | Low | 56.6 | Low | 156 Ų | 156 | 89.4 Ų | 89.4 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.9 | -40.1 | 172.2 | -73.4 | 170.8 | -178.3 | -166.6 | 6.6 | 111.9 | E964 K965 E966 A971 A972 | E964-R968 VanDerWaalsContact CD-CZ 3.48Å; E964-R968 VanDerWaalsContact CD-NE 3.33Å; E964-R968 HydrophobicContact CG-CG 4.38Å; E964-R968 VanDerWaalsContact O-CB 3.3Å; E964-R968 WeakPolarHBondContact O-CB 3.28Å; E964-R968 WeakPolarHBondContact O-CG 3.48Å; E964-R968 PolarHBondContact O-N 3.18Å; E964-R968 IonicContact OE1-CZ 2.7Å; E964-R968 VanDerWaalsContact OE1-CZ 3.25Å; E964-R968 IonicContact OE1-NE 3.24Å; E964-R968 PolarHBondContact OE1-NE 2.74Å; E964-R968 VanDerWaalsContact OE1-NE 3.12Å; E964-R968 IonicContact OE1-NH2 2.72Å; E964-R968 PolarHBondContact OE1-NH2 2.96Å; E964-R968 IonicContact OE2-CZ 3.9Å; E964-R968 IonicContact OE2-NE 3.37Å; E964-R968 IonicContact OE2-NH2 2.75Å; E964-R968 PolarHBondContact OE2-NH2 2.95Å; E964-R968 VanDerWaalsContact OE2-NH2 3.09Å; K965-R968 PolarHBondContact O-N 2.77Å; E966-R968 VanDerWaalsContact C-N 3.34Å; E966-R968 PolarHBondContact O-N 2.88Å; R968-A971 PolarHBondContact O-N 3.14Å; R968-A972 WeakPolarHBondContact O-CB 3.33Å; R968-A972 PolarHBondContact O-N 2.97Å |
| 969 | S | 56.3 | Low | 54 | Low | 74 Ų | 74 | 92.5 Ų | 92.5 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 173.3 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | K965 E966 A972 Y973 | K965-S969 PolarHBondContact O-N 3.24Å; K965-S969 PolarHBondContact O-OG 3.27Å; E966-S969 WeakPolarHBondContact O-CB 3.38Å; E966-S969 PolarHBondContact O-N 3.24Å; E966-S969 VanDerWaalsContact O-N 3.15Å; S969-A972 PolarHBondContact O-N 3.12Å; S969-Y973 WeakPolarHBondContact O-CB 3.44Å; S969-Y973 PolarHBondContact O-N 2.86Å |
| 970 | R | 47.6 | Very low | 51.4 | Low | 137 Ų | 137 | 97.2 Ų | 97.2 | 52% | 0.517 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 176.6 | -66.9 | 171.1 | 93.1 | 135.3 | 1 | 111.5 | E966 A967 Y973 I974 | E966-R970 HydrophobicContact CG-CG 4.48Å; E966-R970 WeakPolarHBondContact O-CB 3.38Å; E966-R970 WeakPolarHBondContact O-CG 3.48Å; E966-R970 PolarHBondContact O-N 3.48Å; E966-R970 IonicContact OE1-CZ 3.95Å; E966-R970 IonicContact OE1-NH1 3.38Å; E966-R970 PolarHBondContact OE1-NH1 2.81Å; A967-R970 PolarHBondContact O-N 3.39Å; R970-Y973 PolarHBondContact O-N 3.28Å; R970-I974 WeakPolarHBondContact O-CB 3.44Å; R970-I974 WeakPolarHBondContact O-CD1 3.19Å; R970-I974 WeakPolarHBondContact O-CG1 3.23Å; R970-I974 PolarHBondContact O-N 3.39Å |
| 971 | A | 41.4 | Very low | 49.3 | Very low | 54 Ų | 54 | 97.4 Ų | 97.4 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | A967 R968 Y973 I974 S975 | A967-A971 WeakPolarHBondContact O-CB 3.4Å; A967-A971 PolarHBondContact O-N 3.48Å; R968-A971 PolarHBondContact O-N 3.14Å; A971-Y973 VanDerWaalsContact C-N 3.31Å; A971-Y973 PolarHBondContact O-N 3.28Å; A971-I974 PolarHBondContact O-N 2.69Å; A971-S975 WeakPolarHBondContact O-CB 3.04Å; A971-S975 PolarHBondContact O-N 3.19Å; A971-S975 PolarHBondContact O-OG 3.47Å |
| 972 | A | 44.7 | Very low | 47 | Very low | 60 Ų | 60 | 101.4 Ų | 101.4 | 50% | 0.496 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.2 | -43 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R968 S969 S975 A976 | R968-A972 WeakPolarHBondContact O-CB 3.33Å; R968-A972 PolarHBondContact O-N 2.97Å; S969-A972 PolarHBondContact O-N 3.12Å; A972-S975 WeakPolarHBondContact CA-OG 3.44Å; A972-S975 PolarHBondContact O-N 2.93Å; A972-S975 PolarHBondContact O-OG 3.3Å; A972-A976 PolarHBondContact O-N 3.15Å |
| 973 | Y | 38.7 | Very low | 44.6 | Very low | 97 Ų | 97 | 110.1 Ų | 110.1 | 38% | 0.38 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.5 | -46.6 | 174.6 | -175.2 | -98.5 | 0 | 0 | 0 | 112.4 | L264 E304 S969 R970 A971 S975 A976 L977 | L264-Y973 VanDerWaalsContact CD2-OH 3.24Å; L264-Y973 WeakPolarHBondContact CD2-OH 3.27Å; E304-Y973 PolarHBondContact OE1-OH 3.47Å; S969-Y973 WeakPolarHBondContact O-CB 3.44Å; S969-Y973 PolarHBondContact O-N 2.86Å; R970-Y973 PolarHBondContact O-N 3.28Å; A971-Y973 VanDerWaalsContact C-N 3.31Å; A971-Y973 PolarHBondContact O-N 3.28Å; Y973-S975 PolarHBondContact O-N 2.67Å; Y973-A976 WeakPolarHBondContact O-CB 3.45Å; Y973-A976 PolarHBondContact O-N 3.39Å; Y973-A976 VanDerWaalsContact O-N 3.11Å; Y973-L977 HydrophobicContact CD1-CD1 4.38Å; Y973-L977 HydrophobicContact CE1-CD1 4.28Å |
| 974 | I | 36.1 | Very low | 42.5 | Very low | 111 Ų | 111 | 109.9 Ų | 109.9 | 57% | 0.569 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.7 | -37.5 | 177.4 | -70.7 | 163.1 | 0 | 0 | 0 | 111.6 | R970 A971 A976 L977 | R970-I974 WeakPolarHBondContact O-CB 3.44Å; R970-I974 WeakPolarHBondContact O-CD1 3.19Å; R970-I974 WeakPolarHBondContact O-CG1 3.23Å; R970-I974 PolarHBondContact O-N 3.39Å; A971-I974 PolarHBondContact O-N 2.69Å; I974-A976 PolarHBondContact O-N 3.02Å; I974-L977 PolarHBondContact O-N 2.92Å; I974-L977 VanDerWaalsContact O-N 3.07Å |
| 975 | S | 36.4 | Very low | 40.6 | Very low | 101 Ų | 101 | 117.2 Ų | 117.2 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -11.3 | 175.4 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | A971 A972 Y973 | A971-S975 WeakPolarHBondContact O-CB 3.04Å; A971-S975 PolarHBondContact O-N 3.19Å; A971-S975 PolarHBondContact O-OG 3.47Å; A972-S975 WeakPolarHBondContact CA-OG 3.44Å; A972-S975 PolarHBondContact O-N 2.93Å; A972-S975 PolarHBondContact O-OG 3.3Å; Y973-S975 PolarHBondContact O-N 2.67Å |
| 976 | A | 36.4 | Very low | 38.6 | Very low | 81 Ų | 81 | 112.6 Ų | 112.6 | 67% | 0.669 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 2.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A972 Y973 I974 | A972-A976 PolarHBondContact O-N 3.15Å; Y973-A976 WeakPolarHBondContact O-CB 3.45Å; Y973-A976 PolarHBondContact O-N 3.39Å; Y973-A976 VanDerWaalsContact O-N 3.11Å; I974-A976 PolarHBondContact O-N 3.02Å |
| 977 | L | 29.5 | Very low | 36.8 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 51% | 0.513 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -98.9 | 129.7 | 174.8 | -66.9 | 173.2 | 0 | 0 | 0 | 110.6 | Y973 I974 | Y973-L977 HydrophobicContact CD1-CD1 4.38Å; Y973-L977 HydrophobicContact CE1-CD1 4.28Å; I974-L977 PolarHBondContact O-N 2.92Å; I974-L977 VanDerWaalsContact O-N 3.07Å |
| 978 | P | 30.6 | Very low | 35.4 | Very low | 90 Ų | 90 | 123.2 Ų | 123.2 | 58% | 0.584 | 67% | 0.673 | S | S | * | * | trans | -67.3 | 137.5 | 171.2 | 28.2 | -33.2 | 0 | 0 | 0 | 110.5 | S980 | P978-S980 PolarHBondContact O-N 3.21Š| ||
| 979 | T | 29.3 | Very low | 33.9 | Very low | 147 Ų | 147 | 124.3 Ų | 124.3 | 90% | 0.902 | 69% | 0.685 | S | S | * | * | trans | -67.7 | 114.4 | -176.7 | 27 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 980 | S | 27.1 | Very low | 32.7 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 141.8 | 175.4 | -153.4 | 0 | 0 | 0 | 0 | 111 | P978 | P978-S980 PolarHBondContact O-N 3.21Š|
| 981 | P | 35.6 | Very low | 31.9 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 67% | 0.669 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 145.4 | -167.4 | 28.1 | -35.3 | 0 | 0 | 0 | 114.1 | W983 | P981-W983 PolarHBondContact O-N 2.91Š|
| 982 | H | 30.2 | Very low | 31.5 | Very low | 196 Ų | 196 | 131.1 Ų | 131.1 | 91% | 0.907 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 127.2 | 175.2 | -66.7 | -79.5 | 0 | 0 | 0 | 112 | ||
| 983 | W | 26.9 | Very low | 30.9 | Very low | 251 Ų | 251 | 137 Ų | 137 | 95% | 0.951 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 126.6 | 165.5 | -75.8 | 74.8 | 0 | 0 | 0 | 109.7 | P981 | P981-W983 PolarHBondContact O-N 2.91Š|
| 984 | G | 26.7 | Very low | 30.6 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 137.7 | 40.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 985 | R | 29.3 | Very low | 30.4 | Very low | 253 Ų | 253 | 143.3 Ų | 143.3 | 96% | 0.955 | 76% | 0.763 | S | S | * | * | trans | -153.8 | 137.1 | 151.5 | -155.8 | 172.3 | -71.1 | -114.9 | 3.2 | 109.9 | ||||
| 986 | G | 27.6 | Very low | 30 | Very low | 58 Ų | 58 | 142.2 Ų | 142.2 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | trans | -132.1 | 164 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 987 | F | 25.5 | Very low | 29.7 | Very low | 197 Ų | 197 | 144 Ų | 144 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | 47.1 | 107.3 | 175 | -74 | -92.4 | 0 | 0 | 0 | 114.4 | ||||
| 988 | D | 27 | Very low | 30.5 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | -166.6 | 167.1 | 63.8 | -87.7 | -40.1 | 0 | 0 | 0 | 113.9 | |||||
| 989 | E | 29.9 | Very low | 30.3 | Very low | 179 Ų | 179 | 145 Ų | 145 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | 45.4 | 111.3 | 153.5 | -65.2 | -173.7 | 155.4 | 0 | 0 | 122.3 | ||||
| 990 | D | 30.6 | Very low | 30.1 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | 52.4 | 122.3 | 126.2 | -88.3 | 27 | 0 | 0 | 0 | 123.5 | |||||
| 991 | K | 30.9 | Very low | 30.1 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 67% | 0.665 | 81% | 0.805 | S | S | * | * | 112.4 | 141 | 119.2 | -87 | 175.3 | 140.6 | -71.2 | 0 | 123.3 | |||||
| 992 | D | 31.6 | Very low | 29.7 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 60% | 0.604 | 81% | 0.813 | S | S | * | * | trans | 69.3 | 106.1 | 146 | -53.6 | -14.4 | 0 | 0 | 0 | 122.6 | ||||
| 993 | E | 33.4 | Very low | 30.3 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | 75.4 | 108.3 | 125.6 | -65 | -170.5 | 162.3 | 0 | 0 | 124.7 | |||||
| 994 | D | 32 | Very low | 30.3 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | 96.7 | 161.4 | 119.7 | -140.1 | 5 | 0 | 0 | 0 | 123.7 | |||||
| 995 | E | 32.3 | Very low | 30.4 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | 71.9 | 146.9 | 171.8 | -66.9 | -124.1 | 122 | 0 | 0 | 121.3 | ||||
| 996 | G | 27.8 | Very low | 30.3 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 128.5 | 55.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 997 | S | 29.6 | Very low | 30.3 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -92.5 | 174.1 | 154.9 | -72.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 998 | P | 46 | Very low | 30.4 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -143.4 | 175.7 | 10.2 | 43.5 | -25.5 | 0 | 0 | 0 | 118 | ||||
| 999 | G | 26.6 | Very low | 30.4 | Very low | 83 Ų | 83 | 122.1 Ų | 122.1 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | 106.5 | 128.6 | 126 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 1000 | G | 26.4 | Very low | 30.3 | Very low | 78 Ų | 78 | 121.8 Ų | 121.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 171.3 | 121.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1001 | C | 26.5 | Very low | 30.1 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 89% | 0.892 | 81% | 0.809 | S | S | * | * | trans | -106.3 | 145.7 | -169.9 | -69.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1002 | N | 26.8 | Very low | 30 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | trans | -27.6 | 162.6 | 150.7 | -71.6 | -21 | 0 | 0 | 0 | 116 | ||||
| 1003 | P | 43.8 | Very low | 29.8 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | cis | -151 | -177 | 30.7 | 44.2 | -24.2 | 0 | 0 | 0 | 119.6 | ||||
| 1004 | A | 26.9 | Very low | 29.6 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | trans | 87.2 | 143.6 | 141.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1005 | G | 27.3 | Very low | 29.4 | Very low | 83 Ų | 83 | 129.4 Ų | 129.4 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | trans | 139.8 | 95.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1006 | G | 27.5 | Very low | 29.3 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 85% | 0.845 | S | S | * | * | trans | -137.5 | 130 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1007 | N | 27.7 | Very low | 29.3 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 91% | 0.914 | 85% | 0.847 | S | S | * | * | trans | -169.5 | 156.8 | 161.3 | -116.7 | 12.1 | 0 | 0 | 0 | 108.1 | ||||
| 1008 | G | 27.1 | Very low | 29.3 | Very low | 63 Ų | 63 | 137.6 Ų | 137.6 | 65% | 0.649 | 85% | 0.847 | S | S | * | * | cis | 133.2 | 85.3 | -5.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1009 | G | 27.6 | Very low | 28.4 | Very low | 68 Ų | 68 | 138.3 Ų | 138.3 | 70% | 0.701 | 85% | 0.849 | S | S | * | * | trans | 81.6 | 157.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1010 | D | 27.4 | Very low | 28.5 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 91% | 0.914 | 85% | 0.848 | S | S | * | * | cis | -149.2 | 153.6 | -4.5 | -107.4 | -28.7 | 0 | 0 | 0 | 112.6 | ||||
| 1011 | F | 27.8 | Very low | 28.6 | Very low | 200 Ų | 200 | 145.5 Ų | 145.5 | 88% | 0.877 | 85% | 0.851 | S | S | * | * | trans | -103.5 | 115 | 175.4 | -121 | -98.3 | 0 | 0 | 0 | 109 | ||||
| 1012 | H | 28.6 | Very low | 28.8 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 87% | 0.87 | 85% | 0.848 | S | S | * | * | trans | 174.5 | 105.5 | 146.7 | -101 | -67 | 0 | 0 | 0 | 113.3 | ||||
| 1013 | R | 27.1 | Very low | 28.9 | Very low | 231 Ų | 231 | 145.8 Ų | 145.8 | 87% | 0.872 | 85% | 0.85 | S | S | * | * | trans | 169.4 | 105.2 | 131 | -98.6 | 177.2 | 171.2 | -168.4 | -2.7 | 111.7 | ||||
| 1014 | L | 28.2 | Very low | 27.8 | Very low | 172 Ų | 172 | 148 Ų | 148 | 90% | 0.901 | 86% | 0.857 | S | S | * | * | trans | -134 | 141.6 | 144.7 | -76.7 | 177.7 | 0 | 0 | 0 | 106.9 | ||||
| 1015 | V | 28.8 | Very low | 27.8 | Very low | 116 Ų | 116 | 151.6 Ų | 151.6 | 70% | 0.703 | 86% | 0.856 | S | S | * | * | trans | -132.7 | 111.3 | -172.4 | 171.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1016 | F | 29 | Very low | 27.9 | Very low | 280 Ų | 280 | 157.8 Ų | 157.8 | 100% | 1.228 | 86% | 0.856 | S | S | * | * | trans | 57.2 | 0 | -179.9 | -61.9 | -65.8 | 0 | 0 | 0 | 115.8 |
Retrieved 1,016 of 1,016 residues in 453.1 ms
(Link to these results)