| 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 | 44.7 | Very low | 57.2 | Low | 209 Ų | 209 | 118.9 Ų | 118.9 | 100% | 1.03 | 62% | 0.616 | S | S | * | * | 0 | 23.3 | 0 | -86.4 | 166 | 158.7 | 0 | 0 | 112.4 | |||||
| 2 | D | 54.2 | Low | 59.4 | Low | 135 Ų | 135 | 116.3 Ų | 116.3 | 72% | 0.722 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -99.3 | -22.7 | -144.7 | -45 | -70.8 | 0 | 0 | 0 | 113.8 | A4 G5 S6 | D2-A4 PolarHBondContact O-N 2.57Å; D2-G5 PolarHBondContact O-N 2.61Å; D2-S6 WeakPolarHBondContact O-CB 3.48Å; D2-S6 PolarHBondContact O-N 3.3Å |
| 3 | R | 43.7 | Very low | 61.7 | Low | 225 Ų | 225 | 112.8 Ų | 112.8 | 85% | 0.849 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61 | -41.9 | 170.3 | -89.7 | -174.1 | 174.3 | -179 | -1.2 | 112.2 | S6 C7 | R3-S6 PolarHBondContact O-N 3.48Å; R3-C7 WeakPolarHBondContact O-CB 3.24Å; R3-C7 PolarHBondContact O-N 3.24Å; R3-C7 PolarHBondContact O-SG 2.9Å |
| 4 | A | 47.4 | Very low | 63.8 | Low | 76 Ų | 76 | 106.1 Ų | 106.1 | 63% | 0.628 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.6 | -40.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D2 R8 | D2-A4 PolarHBondContact O-N 2.57Å; A4-R8 WeakPolarHBondContact O-CB 3.28Å; A4-R8 PolarHBondContact O-N 3.43Å |
| 5 | G | 49.3 | Very low | 65.7 | Low | 36 Ų | 36 | 103.5 Ų | 103.5 | 37% | 0.371 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D2 R8 N9 | D2-G5 PolarHBondContact O-N 2.61Å; G5-R8 PolarHBondContact O-N 3.18Å; G5-N9 PolarHBondContact O-N 3.33Å |
| 6 | S | 54.7 | Low | 67.4 | Low | 81 Ų | 81 | 102.1 Ų | 102.1 | 57% | 0.566 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62 | -47.2 | 177.5 | -174 | 0 | 0 | 0 | 0 | 112.3 | D2 R3 R8 N9 N10 | D2-S6 WeakPolarHBondContact O-CB 3.48Å; D2-S6 PolarHBondContact O-N 3.3Å; R3-S6 PolarHBondContact O-N 3.48Å; S6-R8 VanDerWaalsContact C-N 3.34Å; S6-R8 PolarHBondContact O-N 3.36Å; S6-N9 PolarHBondContact O-N 3.32Å; S6-N10 WeakPolarHBondContact O-CB 3.29Å; S6-N10 PolarHBondContact O-N 3.38Å |
| 7 | C | 56.8 | Low | 69 | Low | 81 Ų | 81 | 100.6 Ų | 100.6 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 176.2 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | R3 N10 R11 | R3-C7 WeakPolarHBondContact O-CB 3.24Å; R3-C7 PolarHBondContact O-N 3.24Å; R3-C7 PolarHBondContact O-SG 2.9Å; C7-N10 PolarHBondContact O-N 3.03Å; C7-R11 PolarHBondContact O-N 2.91Å |
| 8 | R | 60.7 | Low | 70.4 | Confident | 186 Ų | 186 | 95 Ų | 95 | 70% | 0.702 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.6 | -40.3 | 178.4 | -169 | 175.6 | -175.3 | -178.6 | 0.9 | 112.1 | A4 G5 S6 R11 N12 | A4-R8 WeakPolarHBondContact O-CB 3.28Å; A4-R8 PolarHBondContact O-N 3.43Å; G5-R8 PolarHBondContact O-N 3.18Å; S6-R8 VanDerWaalsContact C-N 3.34Å; S6-R8 PolarHBondContact O-N 3.36Å; R8-R11 PolarHBondContact O-N 2.88Å; R8-N12 VanDerWaalsContact O-CG 3.28Å; R8-N12 PolarHBondContact O-N 2.75Å; R8-N12 VanDerWaalsContact O-N 3.1Å |
| 9 | N | 66.5 | Low | 71.7 | Confident | 110 Ų | 110 | 91.9 Ų | 91.9 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.4 | -43.2 | 174.5 | -75.1 | -6.4 | 0 | 0 | 0 | 111.4 | G5 S6 N12 T13 | G5-N9 PolarHBondContact O-N 3.33Å; S6-N9 PolarHBondContact O-N 3.32Å; N9-N12 PolarHBondContact O-N 3.03Å; N9-T13 PolarHBondContact O-N 2.88Å; N9-T13 PolarHBondContact O-OG1 3.44Å |
| 10 | N | 71.7 | Confident | 72.9 | Confident | 83 Ų | 83 | 92.2 Ų | 92.2 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 177.9 | -163.2 | 13.9 | 0 | 0 | 0 | 112.5 | S6 C7 N12 T13 T14 | S6-N10 WeakPolarHBondContact O-CB 3.29Å; S6-N10 PolarHBondContact O-N 3.38Å; C7-N10 PolarHBondContact O-N 3.03Å; N10-N12 VanDerWaalsContact C-N 3.3Å; N10-N12 PolarHBondContact O-N 3.04Å; N10-T13 WeakPolarHBondContact CA-OG1 3.38Å; N10-T13 PolarHBondContact O-N 3.1Å; N10-T13 PolarHBondContact O-OG1 3.05Å; N10-T14 PolarHBondContact O-N 3.33Å; N10-T14 PolarHBondContact O-OG1 3.18Å; N10-T14 VanDerWaalsContact O-OG1 3.05Å |
| 11 | R | 79.4 | Confident | 74 | Confident | 86 Ų | 86 | 89.2 Ų | 89.2 | 33% | 0.325 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 173.2 | -167 | 179.9 | 172.4 | 103.9 | -2.2 | 111.6 | C7 R8 K15 D51 L55 E58 | C7-R11 PolarHBondContact O-N 2.91Å; R8-R11 PolarHBondContact O-N 2.88Å; R11-K15 WeakPolarHBondContact O-CB 3.41Å; R11-K15 PolarHBondContact O-N 3.34Å; R11-D51 IonicContact NH1-OD1 3.16Å; R11-D51 PolarHBondContact NH1-OD1 2.8Å; R11-L55 HydrophobicContact CG-CD1 3.89Å; R11-L55 HydrophobicContact CG-CD2 4.18Å; R11-L55 HydrophobicContact CG-CG 4.41Å; R11-E58 IonicContact NH2-OE1 3.08Å; R11-E58 PolarHBondContact NH2-OE1 3.1Å; R11-E58 VanDerWaalsContact NH2-OE1 3.08Å |
| 12 | N | 83.6 | Confident | 76.4 | Confident | 87 Ų | 87 | 80.2 Ų | 80.2 | 47% | 0.465 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.4 | -42.7 | 177.6 | -72 | -11.9 | 0 | 0 | 0 | 112.5 | R8 N9 N10 K15 T16 | R8-N12 VanDerWaalsContact O-CG 3.28Å; R8-N12 PolarHBondContact O-N 2.75Å; R8-N12 VanDerWaalsContact O-N 3.1Å; N9-N12 PolarHBondContact O-N 3.03Å; N10-N12 VanDerWaalsContact C-N 3.3Å; N10-N12 PolarHBondContact O-N 3.04Å; N12-K15 PolarHBondContact O-N 2.86Å; N12-T16 PolarHBondContact O-N 3.13Å; N12-T16 PolarHBondContact O-OG1 2.99Å |
| 13 | T | 88.8 | Confident | 78.3 | Confident | 72 Ų | 72 | 78.8 Ų | 78.8 | 44% | 0.442 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 176 | 47 | 0 | 0 | 0 | 0 | 110.9 | N9 N10 K15 T16 D17 | N9-T13 PolarHBondContact O-N 2.88Å; N9-T13 PolarHBondContact O-OG1 3.44Å; N10-T13 WeakPolarHBondContact CA-OG1 3.38Å; N10-T13 PolarHBondContact O-N 3.1Å; N10-T13 PolarHBondContact O-OG1 3.05Å; T13-K15 VanDerWaalsContact C-N 3.28Å; T13-K15 PolarHBondContact O-N 3.41Å; T13-T16 WeakPolarHBondContact O-CA 3.47Å; T13-T16 WeakPolarHBondContact O-CB 3.4Å; T13-T16 PolarHBondContact O-N 3.22Å; T13-D17 VanDerWaalsContact O-CG 3.25Å; T13-D17 PolarHBondContact O-N 3.09Å |
| 14 | T | 91.5 | Very high | 80.6 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 12% | 0.117 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.7 | -35.9 | 177.3 | -53 | 0 | 0 | 0 | 0 | 112.5 | N10 D17 L18 I45 L55 | N10-T14 PolarHBondContact O-N 3.33Å; N10-T14 PolarHBondContact O-OG1 3.18Å; N10-T14 VanDerWaalsContact O-OG1 3.05Å; T14-D17 PolarHBondContact O-N 3.2Å; T14-L18 HydrophobicContact CG2-CD1 4.15Å; T14-L18 HydrophobicContact CG2-CG 4.39Å; T14-L18 WeakPolarHBondContact O-CB 3.26Å; T14-L18 VanDerWaalsContact O-CG 3.3Å; T14-L18 WeakPolarHBondContact O-CG 3.46Å; T14-L18 PolarHBondContact O-N 3.44Å; T14-I45 HydrophobicContact CG2-CG2 3.67Å; T14-L55 HydrophobicContact CG2-CD1 4.48Å |
| 15 | K | 92.3 | Very high | 82.7 | Confident | 67 Ų | 67 | 66 Ų | 66 | 29% | 0.291 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 174 | -169.7 | 170.8 | -170.2 | 152.2 | 0 | 112.3 | R11 N12 T13 S19 L55 E58 L59 | R11-K15 WeakPolarHBondContact O-CB 3.41Å; R11-K15 PolarHBondContact O-N 3.34Å; N12-K15 PolarHBondContact O-N 2.86Å; T13-K15 VanDerWaalsContact C-N 3.28Å; T13-K15 PolarHBondContact O-N 3.41Å; K15-S19 WeakPolarHBondContact O-CB 3.48Å; K15-S19 PolarHBondContact O-N 2.63Å; K15-S19 VanDerWaalsContact O-N 3.08Å; K15-S19 PolarHBondContact O-OG 3.38Å; K15-L55 HydrophobicContact CB-CD1 4.33Å; K15-L55 HydrophobicContact CB-CD2 4.21Å; K15-L55 HydrophobicContact CD-CD2 3.94Å; K15-L55 HydrophobicContact CG-CD2 4.2Å; K15-E58 IonicContact NZ-OE2 2.78Å; K15-E58 PolarHBondContact NZ-OE2 3.36Å; K15-L59 HydrophobicContact CG-CD1 4.2Å; K15-L59 HydrophobicContact CG-CD2 4.24Å; K15-L59 HydrophobicContact CG-CG 4.45Å |
| 16 | T | 93.1 | Very high | 84.7 | Confident | 80 Ų | 80 | 70 Ų | 70 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 173.7 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | N12 T13 L18 S19 L20 | N12-T16 PolarHBondContact O-N 3.13Å; N12-T16 PolarHBondContact O-OG1 2.99Å; T13-T16 WeakPolarHBondContact O-CA 3.47Å; T13-T16 WeakPolarHBondContact O-CB 3.4Å; T13-T16 PolarHBondContact O-N 3.22Å; T16-L18 PolarHBondContact O-N 3.29Å; T16-S19 WeakPolarHBondContact O-CB 3.25Å; T16-S19 PolarHBondContact O-N 2.86Å; T16-S19 VanDerWaalsContact O-N 3.14Å; T16-L20 HydrophobicContact CG2-CD1 4.06Å; T16-L20 HydrophobicContact CG2-CG 4.44Å; T16-L20 WeakPolarHBondContact O-CG 3.49Å; T16-L20 PolarHBondContact O-N 3.33Å |
| 17 | D | 94.1 | Very high | 86.3 | Confident | 77 Ų | 77 | 73 Ų | 73 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 179.7 | -60.3 | -30 | 0 | 0 | 0 | 111.5 | T13 T14 S19 L20 L21 | T13-D17 VanDerWaalsContact O-CG 3.25Å; T13-D17 PolarHBondContact O-N 3.09Å; T14-D17 PolarHBondContact O-N 3.2Å; D17-S19 VanDerWaalsContact C-N 3.33Å; D17-S19 PolarHBondContact O-N 3.22Å; D17-L20 PolarHBondContact O-N 3.47Å; D17-L21 VanDerWaalsContact O-CG 3.29Å; D17-L21 WeakPolarHBondContact O-CG 3.19Å; D17-L21 PolarHBondContact O-N 3.09Å |
| 18 | L | 95.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 175.4 | -71.1 | 173.3 | 0 | 0 | 0 | 112.4 | T14 T16 L21 L22 I42 I45 L55 L56 L59 | T14-L18 HydrophobicContact CG2-CD1 4.15Å; T14-L18 HydrophobicContact CG2-CG 4.39Å; T14-L18 WeakPolarHBondContact O-CB 3.26Å; T14-L18 VanDerWaalsContact O-CG 3.3Å; T14-L18 WeakPolarHBondContact O-CG 3.46Å; T14-L18 PolarHBondContact O-N 3.44Å; T16-L18 PolarHBondContact O-N 3.29Å; L18-L21 PolarHBondContact O-N 3.48Å; L18-L22 WeakPolarHBondContact O-CG 3.21Å; L18-L22 PolarHBondContact O-N 3.43Å; L18-I42 HydrophobicContact CD2-CG1 4.39Å; L18-I42 HydrophobicContact CD2-CG2 4.27Å; L18-I45 HydrophobicContact CD1-CG2 4.42Å; L18-I45 HydrophobicContact CD2-CB 4.17Å; L18-I45 HydrophobicContact CD2-CD1 4.25Å; L18-I45 HydrophobicContact CD2-CG2 3.8Å; L18-I45 HydrophobicContact CG-CG2 4.16Å; L18-L55 HydrophobicContact CD1-CB 4.13Å; L18-L56 HydrophobicContact CD1-CB 4.41Å; L18-L56 HydrophobicContact CD2-CD1 4.41Å; L18-L59 HydrophobicContact CB-CD1 3.99Å |
| 19 | S | 95.1 | Very high | 88.3 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 25% | 0.252 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 175.8 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | K15 T16 D17 L21 L22 E23 L59 | K15-S19 WeakPolarHBondContact O-CB 3.48Å; K15-S19 PolarHBondContact O-N 2.63Å; K15-S19 VanDerWaalsContact O-N 3.08Å; K15-S19 PolarHBondContact O-OG 3.38Å; T16-S19 WeakPolarHBondContact O-CB 3.25Å; T16-S19 PolarHBondContact O-N 2.86Å; T16-S19 VanDerWaalsContact O-N 3.14Å; D17-S19 VanDerWaalsContact C-N 3.33Å; D17-S19 PolarHBondContact O-N 3.22Å; S19-L21 VanDerWaalsContact C-N 3.32Å; S19-L21 PolarHBondContact O-N 2.99Å; S19-L22 PolarHBondContact O-N 3.38Å; S19-E23 WeakPolarHBondContact O-CG 3.46Å; S19-E23 PolarHBondContact O-N 2.82Å; S19-L59 WeakPolarHBondContact OG-CD1 3.22Å; S19-L59 WeakPolarHBondContact OG-CD2 3.46Å |
| 20 | L | 95 | Very high | 89 | Confident | 97 Ų | 97 | 72.4 Ų | 72.4 | 51% | 0.508 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 176.9 | -70.3 | 171.8 | 0 | 0 | 0 | 112.1 | T16 D17 E23 C24 | T16-L20 HydrophobicContact CG2-CD1 4.06Å; T16-L20 HydrophobicContact CG2-CG 4.44Å; T16-L20 WeakPolarHBondContact O-CG 3.49Å; T16-L20 PolarHBondContact O-N 3.33Å; D17-L20 PolarHBondContact O-N 3.47Å; L20-E23 PolarHBondContact O-N 2.84Å; L20-C24 VanDerWaalsContact O-CB 3.31Å; L20-C24 WeakPolarHBondContact O-CB 3.3Å; L20-C24 PolarHBondContact O-N 3.03Å |
| 21 | L | 95.8 | Very high | 89.9 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.4 | -39.8 | 174.8 | -70.7 | 165.6 | 0 | 0 | 0 | 112.1 | D17 L18 S19 C24 V25 A38 T41 I42 I45 | D17-L21 VanDerWaalsContact O-CG 3.29Å; D17-L21 WeakPolarHBondContact O-CG 3.19Å; D17-L21 PolarHBondContact O-N 3.09Å; L18-L21 PolarHBondContact O-N 3.48Å; S19-L21 VanDerWaalsContact C-N 3.32Å; S19-L21 PolarHBondContact O-N 2.99Å; L21-C24 WeakPolarHBondContact O-CB 3.41Å; L21-C24 PolarHBondContact O-N 2.99Å; L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 2.93Å; L21-A38 HydrophobicContact CD2-CB 4.11Å; L21-T41 HydrophobicContact CD1-CG2 3.8Å; L21-T41 HydrophobicContact CD2-CG2 4.01Å; L21-I42 HydrophobicContact CB-CD1 3.89Å; L21-I42 HydrophobicContact CB-CG1 3.64Å; L21-I42 HydrophobicContact CD1-CG1 3.94Å; L21-I42 HydrophobicContact CG-CG1 4.37Å; L21-I45 HydrophobicContact CD1-CD1 3.5Å |
| 22 | L | 95.2 | Very high | 90.4 | Very high | 20 Ų | 20 | 68.4 Ų | 68.4 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 172.7 | -74.7 | 173.5 | 0 | 0 | 0 | 112 | L18 S19 V25 K26 I42 L56 L59 F64 | L18-L22 WeakPolarHBondContact O-CG 3.21Å; L18-L22 PolarHBondContact O-N 3.43Å; S19-L22 PolarHBondContact O-N 3.38Å; L22-V25 PolarHBondContact O-N 3.12Å; L22-K26 VanDerWaalsContact O-CB 3.31Å; L22-K26 WeakPolarHBondContact O-CB 3.19Å; L22-K26 PolarHBondContact O-N 3.23Å; L22-I42 HydrophobicContact CD2-CD1 4.2Å; L22-I42 HydrophobicContact CG-CD1 4.49Å; L22-L56 HydrophobicContact CD1-CD1 3.86Å; L22-L56 HydrophobicContact CD2-CD1 4.17Å; L22-L56 HydrophobicContact CG-CD1 4.11Å; L22-L59 HydrophobicContact CD1-CB 4.08Å; L22-F64 HydrophobicContact CD2-CD1 3.66Å; L22-F64 HydrophobicContact CD2-CE1 4.13Å |
| 23 | E | 93.8 | Very high | 90.8 | Very high | 105 Ų | 105 | 69 Ų | 69 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 173.6 | -73.6 | -175.4 | 169.8 | 0 | 0 | 111.9 | S19 L20 V25 K26 F27 | S19-E23 WeakPolarHBondContact O-CG 3.46Å; S19-E23 PolarHBondContact O-N 2.82Å; L20-E23 PolarHBondContact O-N 2.84Å; E23-V25 PolarHBondContact O-N 3.04Å; E23-K26 PolarHBondContact O-N 3.06Å; E23-K26 VanDerWaalsContact O-N 3.16Å; E23-F27 HydrophobicContact CB-CD2 4.06Å; E23-F27 HydrophobicContact CB-CE2 4.12Å; E23-F27 HydrophobicContact CG-CE2 4.16Å; E23-F27 WeakPolarHBondContact O-CD2 3.49Å; E23-F27 PolarHBondContact O-N 2.96Å |
| 24 | C | 92.6 | Very high | 91 | Very high | 31 Ų | 31 | 67.8 Ų | 67.8 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54.9 | -53.1 | 173.5 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | L20 L21 K26 F27 Q28 A38 | L20-C24 VanDerWaalsContact O-CB 3.31Å; L20-C24 WeakPolarHBondContact O-CB 3.3Å; L20-C24 PolarHBondContact O-N 3.03Å; L21-C24 WeakPolarHBondContact O-CB 3.41Å; L21-C24 PolarHBondContact O-N 2.99Å; C24-K26 VanDerWaalsContact C-N 3.3Å; C24-K26 PolarHBondContact O-N 3.23Å; C24-F27 PolarHBondContact O-N 3.26Å; C24-Q28 VanDerWaalsContact O-CB 3.25Å; C24-Q28 WeakPolarHBondContact O-CB 3.39Å; C24-Q28 WeakPolarHBondContact O-CG 3.49Å; C24-Q28 PolarHBondContact O-N 3.26Å; C24-Q28 PolarHBondContact SG-NE2 2.95Å; C24-Q28 VanDerWaalsContact SG-NE2 3.42Å; C24-Q28 PolarHBondContact SG-OE1 3.29Å; C24-A38 HydrophobicContact CB-CB 4.29Å |
| 25 | V | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 176.7 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | L21 L22 E23 Q35 A38 L39 F64 L68 | L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 2.93Å; L22-V25 PolarHBondContact O-N 3.12Å; E23-V25 PolarHBondContact O-N 3.04Å; V25-Q35 PolarHBondContact O-NE2 2.88Å; V25-A38 HydrophobicContact CG2-CB 3.59Å; V25-L39 HydrophobicContact CG1-CD2 4.32Å; V25-L39 HydrophobicContact CG2-CD2 4.03Å; V25-L39 HydrophobicContact CG2-CG 4.06Å; V25-F64 HydrophobicContact CB-CE1 4.01Å; V25-F64 HydrophobicContact CB-CZ 4.26Å; V25-F64 HydrophobicContact CG1-CE1 3.7Å; V25-F64 HydrophobicContact CG1-CZ 3.88Å; V25-L68 HydrophobicContact CG1-CD1 4.34Å; V25-L68 HydrophobicContact CG1-CD2 3.44Å; V25-L68 VanDerWaalsContact CG1-CD2 3.44Å |
| 26 | K | 90.4 | Very high | 91.2 | Very high | 120 Ų | 120 | 65 Ų | 65 | 52% | 0.522 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70 | -38.9 | -178 | -176.2 | 178.1 | 178.2 | -178.5 | 0 | 114.1 | L22 E23 C24 M29 F64 | L22-K26 VanDerWaalsContact O-CB 3.31Å; L22-K26 WeakPolarHBondContact O-CB 3.19Å; L22-K26 PolarHBondContact O-N 3.23Å; E23-K26 PolarHBondContact O-N 3.06Å; E23-K26 VanDerWaalsContact O-N 3.16Å; C24-K26 VanDerWaalsContact C-N 3.3Å; C24-K26 PolarHBondContact O-N 3.23Å; K26-M29 WeakPolarHBondContact O-CG 3.31Å; K26-F64 HydrophobicContact CB-CE2 4.05Å; K26-F64 HydrophobicContact CB-CZ 3.91Å; K26-F64 HydrophobicContact CG-CE2 4.23Å |
| 27 | F | 88.3 | Confident | 91.2 | Very high | 146 Ų | 146 | 66.8 Ų | 66.8 | 64% | 0.64 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -97.2 | -21.9 | -173.4 | -65.8 | -62.7 | 0 | 0 | 0 | 113.8 | E23 C24 M29 | E23-F27 HydrophobicContact CB-CD2 4.06Å; E23-F27 HydrophobicContact CB-CE2 4.12Å; E23-F27 HydrophobicContact CG-CE2 4.16Å; E23-F27 WeakPolarHBondContact O-CD2 3.49Å; E23-F27 PolarHBondContact O-N 2.96Å; C24-F27 PolarHBondContact O-N 3.26Å; F27-M29 VanDerWaalsContact C-N 3.26Å; F27-M29 PolarHBondContact O-N 3.04Å |
| 28 | Q | 82.1 | Confident | 91.3 | Very high | 77 Ų | 77 | 63.3 Ų | 63.3 | 36% | 0.36 | 32% | 0.318 | S | S | . | . | trans | -89.9 | 35.7 | -178.7 | -59.4 | -172.1 | 5.3 | 0 | 0 | 114 | C24 K30 C31 Q35 | C24-Q28 VanDerWaalsContact O-CB 3.25Å; C24-Q28 WeakPolarHBondContact O-CB 3.39Å; C24-Q28 WeakPolarHBondContact O-CG 3.49Å; C24-Q28 PolarHBondContact O-N 3.26Å; C24-Q28 PolarHBondContact SG-NE2 2.95Å; C24-Q28 VanDerWaalsContact SG-NE2 3.42Å; C24-Q28 PolarHBondContact SG-OE1 3.29Å; Q28-K30 PolarHBondContact O-N 3.03Å; Q28-C31 PolarHBondContact O-N 3.06Å; Q28-Q35 HydrophobicContact CB-CG 4.37Å; Q28-Q35 WeakPolarHBondContact O-CG 3.48Å | ||
| 29 | M | 77.5 | Confident | 91.4 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 38% | 0.384 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -9 | 179.9 | -65.1 | -73.2 | -65.6 | 0 | 0 | 115.3 | K26 F27 Q35 V74 | K26-M29 WeakPolarHBondContact O-CG 3.31Å; F27-M29 VanDerWaalsContact C-N 3.26Å; F27-M29 PolarHBondContact O-N 3.04Å; M29-Q35 PolarHBondContact SD-NE2 2.98Å; M29-V74 HydrophobicContact CE-CG2 3.57Å; M29-V74 HydrophobicContact SD-CG2 4.26Å |
| 30 | K | 81.6 | Confident | 91.4 | Very high | 209 Ų | 209 | 63.6 Ų | 63.6 | 91% | 0.909 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -2.4 | 175.6 | -62.8 | -173.9 | 178.4 | -176 | 0 | 114 | Q28 | Q28-K30 PolarHBondContact O-N 3.03Š|
| 31 | C | 89.4 | Confident | 91.4 | Very high | 47 Ų | 47 | 61.3 Ų | 61.3 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | trans | -132.9 | 86.1 | -179.7 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | Q28 D33 S34 Q35 | Q28-C31 PolarHBondContact O-N 3.06Å; C31-D33 PolarHBondContact O-N 3.09Å; C31-S34 PolarHBondContact O-N 3.44Å; C31-S34 PolarHBondContact SG-OG 3.14Å; C31-Q35 PolarHBondContact O-N 3.36Å | ||
| 32 | P | 91.4 | Very high | 91.4 | Very high | 38 Ų | 38 | 59.8 Ų | 59.8 | 25% | 0.247 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54 | -38.4 | -178.2 | -28.3 | 37.1 | 0 | 0 | 0 | 113.6 | S34 Q35 K36 H75 V78 | P32-S34 PolarHBondContact O-N 3.07Å; P32-Q35 WeakPolarHBondContact O-CB 3.43Å; P32-Q35 PolarHBondContact O-N 3.31Å; P32-K36 VanDerWaalsContact O-CB 3.3Å; P32-K36 WeakPolarHBondContact O-CB 3.24Å; P32-K36 PolarHBondContact O-N 3.14Å; P32-H75 HydrophobicContact CB-CB 3.88Å; P32-H75 HydrophobicContact CG-CB 3.8Å; P32-V78 HydrophobicContact CB-CG2 3.85Å; P32-V78 WeakPolarHBondContact O-CG2 3.42Å |
| 33 | D | 91.9 | Very high | 91.3 | Very high | 98 Ų | 98 | 60.6 Ų | 60.6 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | -178.9 | -51.9 | -51.4 | 0 | 0 | 0 | 112.6 | C31 K36 Q37 | C31-D33 PolarHBondContact O-N 3.09Å; D33-K36 PolarHBondContact O-N 2.83Å; D33-Q37 WeakPolarHBondContact O-CB 3.48Å; D33-Q37 PolarHBondContact O-N 3.37Å |
| 34 | S | 91.8 | Very high | 91.3 | Very high | 47 Ų | 47 | 57.7 Ų | 57.7 | 33% | 0.329 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -74.6 | -32.5 | 178.4 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | C31 P32 A38 | C31-S34 PolarHBondContact O-N 3.44Å; C31-S34 PolarHBondContact SG-OG 3.14Å; P32-S34 PolarHBondContact O-N 3.07Å; S34-A38 VanDerWaalsContact O-CB 3.31Å; S34-A38 WeakPolarHBondContact O-CB 3.1Å; S34-A38 PolarHBondContact O-N 3.13Å |
| 35 | Q | 93.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 168.9 | -62.4 | -175.8 | -64.6 | 0 | 0 | 111.1 | V25 Q28 M29 C31 P32 Q37 A38 L39 V78 | V25-Q35 PolarHBondContact O-NE2 2.88Å; Q28-Q35 HydrophobicContact CB-CG 4.37Å; Q28-Q35 WeakPolarHBondContact O-CG 3.48Å; M29-Q35 PolarHBondContact SD-NE2 2.98Å; C31-Q35 PolarHBondContact O-N 3.36Å; P32-Q35 WeakPolarHBondContact O-CB 3.43Å; P32-Q35 PolarHBondContact O-N 3.31Å; Q35-Q37 PolarHBondContact O-N 3.1Å; Q35-A38 PolarHBondContact O-N 3.28Å; Q35-L39 VanDerWaalsContact O-CG 3.29Å; Q35-L39 WeakPolarHBondContact O-CG 3.47Å; Q35-L39 PolarHBondContact O-N 3.23Å; Q35-V78 HydrophobicContact CB-CG1 3.95Å; Q35-V78 HydrophobicContact CB-CG2 4.04Å |
| 36 | K | 94.2 | Very high | 91.4 | Very high | 27 Ų | 27 | 57.8 Ų | 57.8 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57 | -48 | 176.4 | -177.6 | 177.9 | 179.8 | -177.5 | 0 | 111.1 | P32 D33 A38 L39 L40 T81 E532 L536 | P32-K36 VanDerWaalsContact O-CB 3.3Å; P32-K36 WeakPolarHBondContact O-CB 3.24Å; P32-K36 PolarHBondContact O-N 3.14Å; D33-K36 PolarHBondContact O-N 2.83Å; K36-A38 PolarHBondContact O-N 3.33Å; K36-L39 PolarHBondContact O-N 2.83Å; K36-L40 HydrophobicContact CG-CD1 4.41Å; K36-L40 WeakPolarHBondContact O-CG 3.49Å; K36-L40 PolarHBondContact O-N 3.49Å; K36-T81 HydrophobicContact CG-CG2 4.43Å; K36-E532 IonicContact NZ-OE2 3.45Å; K36-L536 VanDerWaalsContact CE-CD1 3.43Å |
| 37 | Q | 94.3 | Very high | 91.3 | Very high | 116 Ų | 116 | 58 Ų | 58 | 54% | 0.542 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 177.1 | -174.4 | 56.7 | 37.3 | 0 | 0 | 112.6 | D33 Q35 L40 T41 | D33-Q37 WeakPolarHBondContact O-CB 3.48Å; D33-Q37 PolarHBondContact O-N 3.37Å; Q35-Q37 PolarHBondContact O-N 3.1Å; Q37-L40 PolarHBondContact O-N 3.36Å; Q37-T41 WeakPolarHBondContact O-CB 3.43Å; Q37-T41 PolarHBondContact O-N 2.96Å; Q37-T41 PolarHBondContact O-OG1 3.48Å |
| 38 | A | 96.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L21 C24 V25 S34 Q35 K36 T41 I42 | L21-A38 HydrophobicContact CD2-CB 4.11Å; C24-A38 HydrophobicContact CB-CB 4.29Å; V25-A38 HydrophobicContact CG2-CB 3.59Å; S34-A38 VanDerWaalsContact O-CB 3.31Å; S34-A38 WeakPolarHBondContact O-CB 3.1Å; S34-A38 PolarHBondContact O-N 3.13Å; Q35-A38 PolarHBondContact O-N 3.28Å; K36-A38 PolarHBondContact O-N 3.33Å; A38-T41 PolarHBondContact O-N 3.27Å; A38-I42 WeakPolarHBondContact O-CG1 3.42Å; A38-I42 PolarHBondContact O-N 3.4Å |
| 39 | L | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 174.4 | -68.6 | 172.6 | 0 | 0 | 0 | 112.6 | V25 Q35 K36 T41 I42 H43 L65 L68 V78 T81 A82 | V25-L39 HydrophobicContact CG1-CD2 4.32Å; V25-L39 HydrophobicContact CG2-CD2 4.03Å; V25-L39 HydrophobicContact CG2-CG 4.06Å; Q35-L39 VanDerWaalsContact O-CG 3.29Å; Q35-L39 WeakPolarHBondContact O-CG 3.47Å; Q35-L39 PolarHBondContact O-N 3.23Å; K36-L39 PolarHBondContact O-N 2.83Å; L39-T41 VanDerWaalsContact C-N 3.27Å; L39-T41 PolarHBondContact O-N 3.12Å; L39-I42 PolarHBondContact O-N 3.11Å; L39-H43 PolarHBondContact O-N 3.22Å; L39-L65 HydrophobicContact CD2-CD2 3.19Å; L39-L68 HydrophobicContact CD1-CD2 4.33Å; L39-L68 HydrophobicContact CD2-CD2 4.4Å; L39-V78 HydrophobicContact CD1-CG1 4.05Å; L39-T81 HydrophobicContact CB-CG2 3.66Å; L39-T81 HydrophobicContact CD1-CG2 3.84Å; L39-T81 HydrophobicContact CG-CG2 4.41Å; L39-A82 HydrophobicContact CD1-CB 4.23Å |
| 40 | L | 94.5 | Very high | 91.9 | Very high | 42 Ų | 42 | 61 Ų | 61 | 22% | 0.22 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -32.8 | 175 | -67.2 | 173.5 | 0 | 0 | 0 | 112.1 | K36 Q37 H43 S44 T81 L536 | K36-L40 HydrophobicContact CG-CD1 4.41Å; K36-L40 WeakPolarHBondContact O-CG 3.49Å; K36-L40 PolarHBondContact O-N 3.49Å; Q37-L40 PolarHBondContact O-N 3.36Å; L40-H43 PolarHBondContact O-N 2.93Å; L40-S44 PolarHBondContact O-N 3.24Å; L40-T81 HydrophobicContact CD2-CG2 4.25Å; L40-T81 HydrophobicContact CG-CG2 4.26Å; L40-L536 HydrophobicContact CD1-CD2 4.01Å; L40-L536 HydrophobicContact CD2-CD2 4.48Å |
| 41 | T | 95.2 | Very high | 92.3 | Very high | 48 Ų | 48 | 54 Ų | 54 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.6 | -41.1 | 174.7 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | L21 Q37 A38 L39 H43 S44 I45 | L21-T41 HydrophobicContact CD1-CG2 3.8Å; L21-T41 HydrophobicContact CD2-CG2 4.01Å; Q37-T41 WeakPolarHBondContact O-CB 3.43Å; Q37-T41 PolarHBondContact O-N 2.96Å; Q37-T41 PolarHBondContact O-OG1 3.48Å; A38-T41 PolarHBondContact O-N 3.27Å; L39-T41 VanDerWaalsContact C-N 3.27Å; L39-T41 PolarHBondContact O-N 3.12Å; T41-H43 VanDerWaalsContact C-N 3.35Å; T41-S44 PolarHBondContact O-N 2.86Å; T41-I45 HydrophobicContact CG2-CD1 4.19Å; T41-I45 WeakPolarHBondContact O-CG1 3.35Å; T41-I45 PolarHBondContact O-N 2.77Å |
| 42 | I | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.6 | -49.2 | 171.6 | -70.1 | 166.8 | 0 | 0 | 0 | 109.9 | L18 L21 L22 A38 L39 S44 I45 C46 L56 T85 | L18-I42 HydrophobicContact CD2-CG1 4.39Å; L18-I42 HydrophobicContact CD2-CG2 4.27Å; L21-I42 HydrophobicContact CB-CD1 3.89Å; L21-I42 HydrophobicContact CB-CG1 3.64Å; L21-I42 HydrophobicContact CD1-CG1 3.94Å; L21-I42 HydrophobicContact CG-CG1 4.37Å; L22-I42 HydrophobicContact CD2-CD1 4.2Å; L22-I42 HydrophobicContact CG-CD1 4.49Å; A38-I42 WeakPolarHBondContact O-CG1 3.42Å; A38-I42 PolarHBondContact O-N 3.4Å; L39-I42 PolarHBondContact O-N 3.11Å; I42-S44 PolarHBondContact O-N 3.19Å; I42-I45 PolarHBondContact O-N 3.23Å; I42-C46 WeakPolarHBondContact O-CB 3.38Å; I42-C46 PolarHBondContact O-N 3.28Å; I42-L56 HydrophobicContact CG2-CD1 4.16Å; I42-L56 HydrophobicContact CG2-CD2 3.56Å; I42-T85 HydrophobicContact CG2-CG2 4.44Å |
| 43 | H | 93.9 | Very high | 92.5 | Very high | 37 Ų | 37 | 50.5 Ų | 50.5 | 17% | 0.171 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -53.8 | -51.8 | 175.5 | 164 | 68.9 | 0 | 0 | 0 | 111.9 | L39 L40 T41 I45 C46 E47 T85 T88 | L39-H43 PolarHBondContact O-N 3.22Å; L40-H43 PolarHBondContact O-N 2.93Å; T41-H43 VanDerWaalsContact C-N 3.35Å; H43-I45 VanDerWaalsContact C-N 3.27Å; H43-I45 PolarHBondContact O-N 3.17Å; H43-C46 PolarHBondContact O-N 3.24Å; H43-C46 VanDerWaalsContact O-N 3.08Å; H43-E47 WeakPolarHBondContact O-CB 3.4Å; H43-E47 PolarHBondContact O-N 3.3Å; H43-T85 HydrophobicContact CB-CG2 4.4Å; H43-T88 WeakPolarHBondContact ND1-CB 3.49Å; H43-T88 PolarHBondContact ND1-OG1 3.4Å |
| 44 | S | 94.2 | Very high | 92.5 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 30% | 0.301 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.5 | -21.9 | 179.8 | -172.1 | 0 | 0 | 0 | 0 | 114.7 | L40 T41 I42 K48 | L40-S44 PolarHBondContact O-N 3.24Å; T41-S44 PolarHBondContact O-N 2.86Å; I42-S44 PolarHBondContact O-N 3.19Å; S44-K48 VanDerWaalsContact O-CD 3.29Å; S44-K48 WeakPolarHBondContact O-CD 3.44Å; S44-K48 WeakPolarHBondContact O-CE 3.45Å; S44-K48 WeakPolarHBondContact O-CG 3.43Å; S44-K48 PolarHBondContact O-NZ 3.41Å |
| 45 | I | 93.3 | Very high | 92.6 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -76.7 | -42.6 | 170.7 | -69.6 | 166.5 | 0 | 0 | 0 | 110.2 | T14 L18 L21 T41 I42 H43 N52 | T14-I45 HydrophobicContact CG2-CG2 3.67Å; L18-I45 HydrophobicContact CD1-CG2 4.42Å; L18-I45 HydrophobicContact CD2-CB 4.17Å; L18-I45 HydrophobicContact CD2-CD1 4.25Å; L18-I45 HydrophobicContact CD2-CG2 3.8Å; L18-I45 HydrophobicContact CG-CG2 4.16Å; L21-I45 HydrophobicContact CD1-CD1 3.5Å; T41-I45 HydrophobicContact CG2-CD1 4.19Å; T41-I45 WeakPolarHBondContact O-CG1 3.35Å; T41-I45 PolarHBondContact O-N 2.77Å; I42-I45 PolarHBondContact O-N 3.23Å; H43-I45 VanDerWaalsContact C-N 3.27Å; H43-I45 PolarHBondContact O-N 3.17Å; I45-N52 HydrophobicContact CG2-CB 4.31Å; I45-N52 PolarHBondContact O-ND2 2.99Å |
| 46 | C | 93 | Very high | 92.6 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.5 | -39.3 | -178.3 | -75 | 0 | 0 | 0 | 0 | 113.6 | I42 H43 K48 R49 V53 L89 | I42-C46 WeakPolarHBondContact O-CB 3.38Å; I42-C46 PolarHBondContact O-N 3.28Å; H43-C46 PolarHBondContact O-N 3.24Å; H43-C46 VanDerWaalsContact O-N 3.08Å; C46-K48 PolarHBondContact O-N 2.92Å; C46-K48 VanDerWaalsContact O-N 3.16Å; C46-R49 CarbonylContact O-C 3.44Å; C46-R49 PolarHBondContact O-N 3.33Å; C46-R49 VanDerWaalsContact O-O 3.07Å; C46-V53 HydrophobicContact CB-CG2 3.87Å; C46-L89 HydrophobicContact CB-CD2 3.55Å; C46-L89 VanDerWaalsContact SG-CD2 3.55Å |
| 47 | E | 89.6 | Confident | 92.6 | Very high | 125 Ų | 125 | 47.2 Ų | 47.2 | 58% | 0.584 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -36.3 | 176.8 | -177.1 | -170.6 | -152.2 | 0 | 0 | 112.6 | H43 R49 | H43-E47 WeakPolarHBondContact O-CB 3.4Å; H43-E47 PolarHBondContact O-N 3.3Å; E47-R49 PolarHBondContact O-N 3.22Å |
| 48 | K | 84.9 | Confident | 92.5 | Very high | 148 Ų | 148 | 46.8 Ų | 46.8 | 64% | 0.643 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -27.6 | -175.6 | -69.3 | 166.8 | -173.2 | 152 | 0 | 114.1 | S44 C46 | S44-K48 VanDerWaalsContact O-CD 3.29Å; S44-K48 WeakPolarHBondContact O-CD 3.44Å; S44-K48 WeakPolarHBondContact O-CE 3.45Å; S44-K48 WeakPolarHBondContact O-CG 3.43Å; S44-K48 PolarHBondContact O-NZ 3.41Å; C46-K48 PolarHBondContact O-N 2.92Å; C46-K48 VanDerWaalsContact O-N 3.16Å |
| 49 | R | 86.1 | Confident | 92.4 | Very high | 117 Ų | 117 | 49.3 Ų | 49.3 | 44% | 0.442 | 24% | 0.235 | S | C | . | . | trans | -158 | 125.7 | -174.8 | -67.5 | -175.8 | 65.4 | 171.2 | 1.2 | 111.4 | C46 E47 D51 N52 | C46-R49 CarbonylContact O-C 3.44Å; C46-R49 PolarHBondContact O-N 3.33Å; C46-R49 VanDerWaalsContact O-O 3.07Å; E47-R49 PolarHBondContact O-N 3.22Å; R49-D51 HydrophobicContact CB-CB 4.44Å; R49-D51 IonicContact CZ-OD2 3.88Å; R49-D51 IonicContact NE-OD2 3.59Å; R49-D51 PolarHBondContact NE-OD2 2.92Å; R49-D51 IonicContact NH2-OD2 2.78Å; R49-D51 PolarHBondContact NH2-OD2 3.49Å; R49-D51 PolarHBondContact O-N 3.31Å; R49-N52 VanDerWaalsContact O-CB 3.32Å; R49-N52 WeakPolarHBondContact O-CB 3.49Å; R49-N52 PolarHBondContact O-N 3.22Å | ||
| 50 | E | 88.6 | Confident | 92.3 | Very high | 99 Ų | 99 | 51 Ų | 51 | 46% | 0.463 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54.4 | -37 | 172.8 | -174.9 | 173.2 | -170.2 | 0 | 0 | 113 | N52 V53 D54 A92 N93 | E50-N52 PolarHBondContact O-N 3.18Å; E50-V53 WeakPolarHBondContact O-CA 3.4Å; E50-V53 WeakPolarHBondContact O-CB 3.36Å; E50-V53 PolarHBondContact O-N 3.39Å; E50-D54 PolarHBondContact O-N 2.94Å; E50-A92 WeakPolarHBondContact CG-O 3.3Å; E50-N93 HydrophobicContact CG-CB 3.99Å; E50-N93 WeakPolarHBondContact CG-ND2 3.28Å; E50-N93 WeakPolarHBondContact OE1-CA 3.37Å; E50-N93 PolarHBondContact OE1-ND2 3.12Å |
| 51 | D | 90 | Very high | 92.3 | Very high | 61 Ų | 61 | 49 Ų | 49 | 33% | 0.326 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -48.3 | -32.8 | 172.5 | -74.5 | -67.2 | 0 | 0 | 0 | 114.1 | R11 R49 D54 L55 | R11-D51 IonicContact NH1-OD1 3.16Å; R11-D51 PolarHBondContact NH1-OD1 2.8Å; R49-D51 HydrophobicContact CB-CB 4.44Å; R49-D51 IonicContact CZ-OD2 3.88Å; R49-D51 IonicContact NE-OD2 3.59Å; R49-D51 PolarHBondContact NE-OD2 2.92Å; R49-D51 IonicContact NH2-OD2 2.78Å; R49-D51 PolarHBondContact NH2-OD2 3.49Å; R49-D51 PolarHBondContact O-N 3.31Å; D51-D54 PolarHBondContact O-N 3.49Å; D51-L55 WeakPolarHBondContact O-CG 3.37Å; D51-L55 PolarHBondContact O-N 2.94Å |
| 52 | N | 93.1 | Very high | 92.3 | Very high | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -77.4 | -27.8 | -178.4 | -64.6 | -11.2 | 0 | 0 | 0 | 111.3 | I45 R49 E50 L56 | I45-N52 HydrophobicContact CG2-CB 4.31Å; I45-N52 PolarHBondContact O-ND2 2.99Å; R49-N52 VanDerWaalsContact O-CB 3.32Å; R49-N52 WeakPolarHBondContact O-CB 3.49Å; R49-N52 PolarHBondContact O-N 3.22Å; E50-N52 PolarHBondContact O-N 3.18Å; N52-L56 WeakPolarHBondContact O-CB 3.48Å; N52-L56 PolarHBondContact O-N 3.23Å |
| 53 | V | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69 | -40.9 | 170.9 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | C46 E50 L56 R57 L89 A92 N93 C96 | C46-V53 HydrophobicContact CB-CG2 3.87Å; E50-V53 WeakPolarHBondContact O-CA 3.4Å; E50-V53 WeakPolarHBondContact O-CB 3.36Å; E50-V53 PolarHBondContact O-N 3.39Å; V53-L56 PolarHBondContact O-N 2.79Å; V53-R57 WeakPolarHBondContact O-CB 3.47Å; V53-R57 PolarHBondContact O-N 3.46Å; V53-L89 HydrophobicContact CB-CD2 4.46Å; V53-L89 HydrophobicContact CG1-CB 4.17Å; V53-L89 HydrophobicContact CG1-CD2 4.02Å; V53-L89 HydrophobicContact CG2-CD2 3.97Å; V53-A92 HydrophobicContact CG2-CB 4.2Å; V53-N93 HydrophobicContact CB-CB 3.86Å; V53-N93 HydrophobicContact CG1-CB 3.54Å; V53-N93 HydrophobicContact CG2-CB 4.32Å; V53-C96 HydrophobicContact CG1-CB 3.93Å |
| 54 | D | 91.9 | Very high | 92.3 | Very high | 33 Ų | 33 | 51.3 Ų | 51.3 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 172.9 | -73.1 | -21.5 | 0 | 0 | 0 | 111.6 | E50 D51 L56 R57 E58 N93 | E50-D54 PolarHBondContact O-N 2.94Å; D51-D54 PolarHBondContact O-N 3.49Å; D54-L56 PolarHBondContact O-N 3.12Å; D54-R57 PolarHBondContact O-N 3.14Å; D54-R57 IonicContact OD1-CZ 2.69Å; D54-R57 IonicContact OD1-NH1 3.42Å; D54-R57 PolarHBondContact OD1-NH1 3.13Å; D54-R57 IonicContact OD1-NH2 2.67Å; D54-R57 PolarHBondContact OD1-NH2 3.14Å; D54-E58 WeakPolarHBondContact O-CG 3.49Å; D54-E58 PolarHBondContact O-N 2.88Å; D54-N93 PolarHBondContact OD1-ND2 2.96Å; D54-N93 VanDerWaalsContact OD1-ND2 3.09Å |
| 55 | L | 93.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.9 | -45.1 | 173.3 | -76.8 | 177.4 | 0 | 0 | 0 | 112.6 | R11 T14 K15 L18 D51 R57 E58 L59 | R11-L55 HydrophobicContact CG-CD1 3.89Å; R11-L55 HydrophobicContact CG-CD2 4.18Å; R11-L55 HydrophobicContact CG-CG 4.41Å; T14-L55 HydrophobicContact CG2-CD1 4.48Å; K15-L55 HydrophobicContact CB-CD1 4.33Å; K15-L55 HydrophobicContact CB-CD2 4.21Å; K15-L55 HydrophobicContact CD-CD2 3.94Å; K15-L55 HydrophobicContact CG-CD2 4.2Å; L18-L55 HydrophobicContact CD1-CB 4.13Å; D51-L55 WeakPolarHBondContact O-CG 3.37Å; D51-L55 PolarHBondContact O-N 2.94Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 3.07Å; L55-E58 WeakPolarHBondContact O-CB 3.37Å; L55-E58 PolarHBondContact O-N 2.9Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.31Å; L55-L59 PolarHBondContact O-N 3.4Å |
| 56 | L | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -36.3 | 178.3 | -173.7 | 68.1 | 0 | 0 | 0 | 111.7 | L18 L22 I42 N52 V53 D54 L59 G61 L89 | L18-L56 HydrophobicContact CD1-CB 4.41Å; L18-L56 HydrophobicContact CD2-CD1 4.41Å; L22-L56 HydrophobicContact CD1-CD1 3.86Å; L22-L56 HydrophobicContact CD2-CD1 4.17Å; L22-L56 HydrophobicContact CG-CD1 4.11Å; I42-L56 HydrophobicContact CG2-CD1 4.16Å; I42-L56 HydrophobicContact CG2-CD2 3.56Å; N52-L56 WeakPolarHBondContact O-CB 3.48Å; N52-L56 PolarHBondContact O-N 3.23Å; V53-L56 PolarHBondContact O-N 2.79Å; D54-L56 PolarHBondContact O-N 3.12Å; L56-L59 PolarHBondContact O-N 3.25Å; L56-G61 WeakPolarHBondContact O-CA 3.34Å; L56-G61 PolarHBondContact O-N 2.79Å; L56-L89 HydrophobicContact CD2-CD1 3.51Å; L56-L89 HydrophobicContact CD2-CD2 3.74Å; L56-L89 HydrophobicContact CD2-CG 4.29Å |
| 57 | R | 93.8 | Very high | 92.6 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 27% | 0.272 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68 | -43.8 | 173.9 | -171.9 | -180 | 65 | -102 | -2.7 | 111.9 | V53 D54 L55 L59 G60 V62 N93 | V53-R57 WeakPolarHBondContact O-CB 3.47Å; V53-R57 PolarHBondContact O-N 3.46Å; D54-R57 PolarHBondContact O-N 3.14Å; D54-R57 IonicContact OD1-CZ 2.69Å; D54-R57 IonicContact OD1-NH1 3.42Å; D54-R57 PolarHBondContact OD1-NH1 3.13Å; D54-R57 IonicContact OD1-NH2 2.67Å; D54-R57 PolarHBondContact OD1-NH2 3.14Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 3.07Å; R57-L59 PolarHBondContact O-N 2.84Å; R57-G60 PolarHBondContact O-N 3.29Å; R57-V62 HydrophobicContact CB-CG2 4.12Å; R57-V62 HydrophobicContact CG-CG2 4.37Å; R57-N93 PolarHBondContact NH1-OD1 3.43Å |
| 58 | E | 91.9 | Very high | 92.8 | Very high | 107 Ų | 107 | 47.4 Ų | 47.4 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.5 | -36.9 | 173.1 | -74.6 | 174.3 | -153.9 | 0 | 0 | 112.2 | R11 K15 D54 L55 G60 | R11-E58 IonicContact NH2-OE1 3.08Å; R11-E58 PolarHBondContact NH2-OE1 3.1Å; R11-E58 VanDerWaalsContact NH2-OE1 3.08Å; K15-E58 IonicContact NZ-OE2 2.78Å; K15-E58 PolarHBondContact NZ-OE2 3.36Å; D54-E58 WeakPolarHBondContact O-CG 3.49Å; D54-E58 PolarHBondContact O-N 2.88Å; L55-E58 WeakPolarHBondContact O-CB 3.37Å; L55-E58 PolarHBondContact O-N 2.9Å; E58-G60 PolarHBondContact O-N 3.25Å |
| 59 | L | 93.9 | Very high | 93.2 | Very high | 57 Ų | 57 | 40.6 Ų | 40.6 | 30% | 0.298 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -0.7 | 176.9 | -68.8 | 171 | 0 | 0 | 0 | 113.6 | K15 L18 S19 L22 L55 L56 R57 G61 | K15-L59 HydrophobicContact CG-CD1 4.2Å; K15-L59 HydrophobicContact CG-CD2 4.24Å; K15-L59 HydrophobicContact CG-CG 4.45Å; L18-L59 HydrophobicContact CB-CD1 3.99Å; S19-L59 WeakPolarHBondContact OG-CD1 3.22Å; S19-L59 WeakPolarHBondContact OG-CD2 3.46Å; L22-L59 HydrophobicContact CD1-CB 4.08Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.31Å; L55-L59 PolarHBondContact O-N 3.4Å; L56-L59 PolarHBondContact O-N 3.25Å; R57-L59 PolarHBondContact O-N 2.84Å; L59-G61 PolarHBondContact O-N 2.69Å |
| 60 | G | 94.2 | Very high | 93.4 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 37% | 0.371 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 7.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R57 E58 V62 S63 F64 | R57-G60 PolarHBondContact O-N 3.29Å; E58-G60 PolarHBondContact O-N 3.25Å; G60-V62 PolarHBondContact O-N 2.87Å; G60-S63 PolarHBondContact O-N 2.95Å; G60-S63 VanDerWaalsContact O-N 3.16Å; G60-F64 PolarHBondContact O-N 3.05Å |
| 61 | G | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.2 | -42.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L56 L59 S63 F64 L65 | L56-G61 WeakPolarHBondContact O-CA 3.34Å; L56-G61 PolarHBondContact O-N 2.79Å; L59-G61 PolarHBondContact O-N 2.69Å; G61-S63 VanDerWaalsContact C-N 3.35Å; G61-S63 PolarHBondContact O-N 3.38Å; G61-F64 WeakPolarHBondContact O-CB 3.46Å; G61-F64 PolarHBondContact O-N 3.16Å; G61-F64 VanDerWaalsContact O-N 3.17Å; G61-L65 VanDerWaalsContact O-CG 3.29Å; G61-L65 WeakPolarHBondContact O-CG 3.11Å; G61-L65 PolarHBondContact O-N 3.12Å |
| 62 | V | 94.8 | Very high | 93.3 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | R57 G60 L65 Y66 L86 L100 | R57-V62 HydrophobicContact CB-CG2 4.12Å; R57-V62 HydrophobicContact CG-CG2 4.37Å; G60-V62 PolarHBondContact O-N 2.87Å; V62-L65 PolarHBondContact O-N 2.85Å; V62-Y66 PolarHBondContact O-N 2.68Å; V62-Y66 VanDerWaalsContact O-N 3.16Å; V62-L86 HydrophobicContact CG1-CD2 3.97Å; V62-L100 HydrophobicContact CG1-CD1 4.09Å; V62-L100 HydrophobicContact CG1-CD2 3.85Å; V62-L100 HydrophobicContact CG1-CG 3.95Å |
| 63 | S | 94.1 | Very high | 92.9 | Very high | 71 Ų | 71 | 44 Ų | 44 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.5 | -40.9 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | G60 G61 Y66 N67 | G60-S63 PolarHBondContact O-N 2.95Å; G60-S63 VanDerWaalsContact O-N 3.16Å; G61-S63 VanDerWaalsContact C-N 3.35Å; G61-S63 PolarHBondContact O-N 3.38Å; S63-Y66 PolarHBondContact O-N 3.27Å; S63-N67 PolarHBondContact O-N 3.29Å; S63-N67 PolarHBondContact O-ND2 2.97Å; S63-N67 PolarHBondContact OG-ND2 2.82Å |
| 64 | F | 95.7 | Very high | 92.7 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -47.1 | 175 | 170.2 | -99.9 | 0 | 0 | 0 | 112.3 | L22 V25 K26 G60 G61 Y66 N67 L68 | L22-F64 HydrophobicContact CD2-CD1 3.66Å; L22-F64 HydrophobicContact CD2-CE1 4.13Å; V25-F64 HydrophobicContact CB-CE1 4.01Å; V25-F64 HydrophobicContact CB-CZ 4.26Å; V25-F64 HydrophobicContact CG1-CE1 3.7Å; V25-F64 HydrophobicContact CG1-CZ 3.88Å; K26-F64 HydrophobicContact CB-CE2 4.05Å; K26-F64 HydrophobicContact CB-CZ 3.91Å; K26-F64 HydrophobicContact CG-CE2 4.23Å; G60-F64 PolarHBondContact O-N 3.05Å; G61-F64 WeakPolarHBondContact O-CB 3.46Å; G61-F64 PolarHBondContact O-N 3.16Å; G61-F64 VanDerWaalsContact O-N 3.17Å; F64-Y66 VanDerWaalsContact C-N 3.34Å; F64-Y66 PolarHBondContact O-N 3Å; F64-N67 PolarHBondContact O-N 2.79Å; F64-L68 HydrophobicContact CE1-CD2 4.43Å; F64-L68 HydrophobicContact CZ-CD1 4.44Å; F64-L68 WeakPolarHBondContact O-CB 3.38Å; F64-L68 PolarHBondContact O-N 3.05Å |
| 65 | L | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 179.4 | -68.4 | -178.2 | 0 | 0 | 0 | 112.7 | L39 G61 V62 L68 S69 T85 L86 L89 | L39-L65 HydrophobicContact CD2-CD2 3.19Å; G61-L65 VanDerWaalsContact O-CG 3.29Å; G61-L65 WeakPolarHBondContact O-CG 3.11Å; G61-L65 PolarHBondContact O-N 3.12Å; V62-L65 PolarHBondContact O-N 2.85Å; L65-L68 HydrophobicContact CD2-CD2 4.43Å; L65-L68 WeakPolarHBondContact O-CB 3.36Å; L65-L68 PolarHBondContact O-N 2.97Å; L65-S69 PolarHBondContact O-N 3.46Å; L65-T85 HydrophobicContact CD1-CG2 3.79Å; L65-L86 HydrophobicContact CB-CD1 4.35Å; L65-L86 HydrophobicContact CB-CD2 3.81Å; L65-L86 HydrophobicContact CB-CG 3.97Å; L65-L89 HydrophobicContact CD1-CD1 3.81Å |
| 66 | Y | 95.5 | Very high | 92.5 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 7% | 0.071 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 174.3 | 168.2 | -111.2 | 0 | 0 | 0 | 112.5 | V62 S63 F64 L68 S69 K70 D104 I105 D108 | V62-Y66 PolarHBondContact O-N 2.68Å; V62-Y66 VanDerWaalsContact O-N 3.16Å; S63-Y66 PolarHBondContact O-N 3.27Å; F64-Y66 VanDerWaalsContact C-N 3.34Å; F64-Y66 PolarHBondContact O-N 3Å; Y66-L68 VanDerWaalsContact C-N 3.28Å; Y66-L68 PolarHBondContact O-N 2.99Å; Y66-S69 PolarHBondContact O-N 2.66Å; Y66-S69 PolarHBondContact O-OG 2.87Å; Y66-K70 HydrophobicContact CD2-CD 4.36Å; Y66-K70 HydrophobicContact CE1-CD 4.11Å; Y66-K70 HydrophobicContact CE2-CD 3.62Å; Y66-K70 HydrophobicContact CE2-CG 4.19Å; Y66-K70 PolarHBondContact O-N 2.73Å; Y66-D104 PolarHBondContact OH-OD2 3.34Å; Y66-I105 HydrophobicContact CD2-CG1 4.14Å; Y66-I105 HydrophobicContact CE1-CG1 4.16Å; Y66-I105 HydrophobicContact CE2-CB 4.24Å; Y66-I105 HydrophobicContact CE2-CD1 4.44Å; Y66-I105 HydrophobicContact CE2-CG1 3.53Å; Y66-I105 HydrophobicContact CE2-CG2 4.38Å; Y66-I105 VanDerWaalsContact CZ-CG1 3.49Å; Y66-I105 WeakPolarHBondContact OH-CG1 3.38Å; Y66-D108 PolarHBondContact OH-OD2 3.31Å |
| 67 | N | 94.5 | Very high | 92.3 | Very high | 92 Ų | 92 | 52.4 Ų | 52.4 | 49% | 0.492 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.5 | -32.7 | 173.7 | -71.3 | -60.9 | 0 | 0 | 0 | 112 | S63 F64 K70 S71 | S63-N67 PolarHBondContact O-N 3.29Å; S63-N67 PolarHBondContact O-ND2 2.97Å; S63-N67 PolarHBondContact OG-ND2 2.82Å; F64-N67 PolarHBondContact O-N 2.79Å; N67-K70 PolarHBondContact O-N 3.19Å; N67-S71 PolarHBondContact O-N 3.22Å; N67-S71 VanDerWaalsContact O-N 3.13Å |
| 68 | L | 93.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175.4 | -171.7 | 74.6 | 0 | 0 | 0 | 111.7 | V25 L39 F64 L65 Y66 K70 S71 V74 V78 A82 | V25-L68 HydrophobicContact CG1-CD1 4.34Å; V25-L68 HydrophobicContact CG1-CD2 3.44Å; V25-L68 VanDerWaalsContact CG1-CD2 3.44Å; L39-L68 HydrophobicContact CD1-CD2 4.33Å; L39-L68 HydrophobicContact CD2-CD2 4.4Å; F64-L68 HydrophobicContact CE1-CD2 4.43Å; F64-L68 HydrophobicContact CZ-CD1 4.44Å; F64-L68 WeakPolarHBondContact O-CB 3.38Å; F64-L68 PolarHBondContact O-N 3.05Å; L65-L68 HydrophobicContact CD2-CD2 4.43Å; L65-L68 WeakPolarHBondContact O-CB 3.36Å; L65-L68 PolarHBondContact O-N 2.97Å; Y66-L68 VanDerWaalsContact C-N 3.28Å; Y66-L68 PolarHBondContact O-N 2.99Å; L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 3.43Å; L68-S71 WeakPolarHBondContact O-CB 3.36Å; L68-S71 PolarHBondContact O-N 2.91Å; L68-V74 HydrophobicContact CD1-CG1 4.35Å; L68-V74 HydrophobicContact CD1-CG2 3.76Å; L68-V74 HydrophobicContact CG-CG1 4.5Å; L68-V78 HydrophobicContact CD2-CG1 4.13Å; L68-A82 HydrophobicContact CD2-CB 4.11Å |
| 69 | S | 93.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.8 | -25.6 | 179 | 65.5 | 0 | 0 | 0 | 0 | 113.9 | L65 Y66 K79 | L65-S69 PolarHBondContact O-N 3.46Å; Y66-S69 PolarHBondContact O-N 2.66Å; Y66-S69 PolarHBondContact O-OG 2.87Å; S69-K79 WeakPolarHBondContact O-CD 3.22Å |
| 70 | K | 90.6 | Very high | 92.4 | Very high | 92 Ų | 92 | 44 Ų | 44 | 40% | 0.4 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -85.4 | -17.4 | 174.1 | -66.4 | -171 | 68.2 | 161.6 | 0 | 114.7 | Y66 N67 L68 S72 D108 | Y66-K70 HydrophobicContact CD2-CD 4.36Å; Y66-K70 HydrophobicContact CE1-CD 4.11Å; Y66-K70 HydrophobicContact CE2-CD 3.62Å; Y66-K70 HydrophobicContact CE2-CG 4.19Å; Y66-K70 PolarHBondContact O-N 2.73Å; N67-K70 PolarHBondContact O-N 3.19Å; L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 3.43Å; K70-S72 PolarHBondContact O-N 3.46Å; K70-D108 WeakPolarHBondContact CD-OD2 3.44Å; K70-D108 VanDerWaalsContact CE-CG 3.44Å; K70-D108 WeakPolarHBondContact CE-OD1 3.45Å; K70-D108 VanDerWaalsContact CE-OD2 3.23Å; K70-D108 WeakPolarHBondContact CE-OD2 3.41Å; K70-D108 IonicContact NZ-OD1 3.31Å; K70-D108 PolarHBondContact NZ-OD1 3.17Å; K70-D108 IonicContact NZ-OD2 3.37Å; K70-D108 PolarHBondContact NZ-OD2 3.11Å |
| 71 | S | 89.9 | Confident | 92.5 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | trans | -61.8 | 131.6 | -171.4 | -178.2 | 0 | 0 | 0 | 0 | 112.4 | N67 L68 N73 K79 | N67-S71 PolarHBondContact O-N 3.22Å; N67-S71 VanDerWaalsContact O-N 3.13Å; L68-S71 WeakPolarHBondContact O-CB 3.36Å; L68-S71 PolarHBondContact O-N 2.91Å; S71-N73 VanDerWaalsContact C-N 3.25Å; S71-N73 PolarHBondContact O-N 2.83Å; S71-N73 PolarHBondContact OG-N 3.42Å; S71-K79 WeakPolarHBondContact O-CE 3.47Å; S71-K79 PolarHBondContact O-NZ 3.31Å | ||
| 72 | S | 85.9 | Confident | 92.6 | Very high | 101 Ų | 101 | 42.7 Ų | 42.7 | 71% | 0.706 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -32.2 | 173.3 | 42.9 | 0 | 0 | 0 | 0 | 112.5 | K70 V74 | K70-S72 PolarHBondContact O-N 3.46Å; S72-V74 PolarHBondContact O-N 3.01Å |
| 73 | N | 84.5 | Confident | 92.6 | Very high | 132 Ų | 132 | 42.7 Ų | 42.7 | 71% | 0.706 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 12.1 | -166.8 | -61.7 | 44.9 | 0 | 0 | 0 | 113.9 | S71 | S71-N73 VanDerWaalsContact C-N 3.25Å; S71-N73 PolarHBondContact O-N 2.83Å; S71-N73 PolarHBondContact OG-N 3.42Å |
| 74 | V | 88.4 | Confident | 92.7 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -106.8 | 148.5 | -179 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | M29 L68 S72 V78 K79 | M29-V74 HydrophobicContact CE-CG2 3.57Å; M29-V74 HydrophobicContact SD-CG2 4.26Å; L68-V74 HydrophobicContact CD1-CG1 4.35Å; L68-V74 HydrophobicContact CD1-CG2 3.76Å; L68-V74 HydrophobicContact CG-CG1 4.5Å; S72-V74 PolarHBondContact O-N 3.01Å; V74-V78 HydrophobicContact CG1-CB 3.64Å; V74-V78 HydrophobicContact CG1-CG1 3.58Å; V74-K79 HydrophobicContact CB-CG 4.17Å; V74-K79 HydrophobicContact CG1-CG 3.9Å; V74-K79 WeakPolarHBondContact O-CE 3.24Å; V74-K79 PolarHBondContact O-NZ 2.89Å |
| 75 | H | 90.4 | Very high | 92.8 | Very high | 96 Ų | 96 | 38.3 Ų | 38.3 | 44% | 0.444 | 21% | 0.207 | S | C | . | . | trans | -64.5 | 147.8 | 175.6 | -161.8 | -104.9 | 0 | 0 | 0 | 111.9 | P32 D77 V78 K79 | P32-H75 HydrophobicContact CB-CB 3.88Å; P32-H75 HydrophobicContact CG-CB 3.8Å; H75-D77 IonicContact CE1-OD1 2.76Å; H75-D77 IonicContact CE1-OD2 2.87Å; H75-D77 PolarHBondContact CE1-OD2 2.96Å; H75-D77 IonicContact ND1-OD1 2.9Å; H75-D77 IonicContact ND1-OD2 3.95Å; H75-D77 PolarHBondContact ND1-OD2 3.45Å; H75-D77 PolarHBondContact O-N 3.11Å; H75-V78 HydrophobicContact CB-CG2 4.25Å; H75-V78 PolarHBondContact O-N 3.47Å; H75-V78 VanDerWaalsContact O-N 3.16Å; H75-K79 PolarHBondContact O-N 2.82Å | ||
| 76 | S | 90.4 | Very high | 92.9 | Very high | 51 Ų | 51 | 38.3 Ų | 38.3 | 36% | 0.357 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55.8 | -50.1 | -174.2 | -161.7 | 0 | 0 | 0 | 0 | 111.9 | V78 K79 E80 | S76-V78 PolarHBondContact O-N 2.86Å; S76-K79 WeakPolarHBondContact O-CA 3.18Å; S76-K79 WeakPolarHBondContact O-CB 3.43Å; S76-K79 PolarHBondContact O-N 3.25Å; S76-E80 WeakPolarHBondContact O-CG 3.47Å; S76-E80 PolarHBondContact O-N 3.15Å |
| 77 | D | 90.2 | Very high | 92.9 | Very high | 52 Ų | 52 | 37.5 Ų | 37.5 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64 | -27.7 | -176 | -26 | -35.5 | 0 | 0 | 0 | 112.5 | H75 T81 | H75-D77 IonicContact CE1-OD1 2.76Å; H75-D77 IonicContact CE1-OD2 2.87Å; H75-D77 PolarHBondContact CE1-OD2 2.96Å; H75-D77 IonicContact ND1-OD1 2.9Å; H75-D77 IonicContact ND1-OD2 3.95Å; H75-D77 PolarHBondContact ND1-OD2 3.45Å; H75-D77 PolarHBondContact O-N 3.11Å; D77-T81 VanDerWaalsContact O-CB 3.24Å; D77-T81 WeakPolarHBondContact O-CB 3.28Å; D77-T81 PolarHBondContact O-N 3.2Å; D77-T81 PolarHBondContact O-OG1 3.25Å |
| 78 | V | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.2 | -36.2 | 174.5 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | P32 Q35 L39 L68 V74 H75 S76 A82 | P32-V78 HydrophobicContact CB-CG2 3.85Å; P32-V78 WeakPolarHBondContact O-CG2 3.42Å; Q35-V78 HydrophobicContact CB-CG1 3.95Å; Q35-V78 HydrophobicContact CB-CG2 4.04Å; L39-V78 HydrophobicContact CD1-CG1 4.05Å; L68-V78 HydrophobicContact CD2-CG1 4.13Å; V74-V78 HydrophobicContact CG1-CB 3.64Å; V74-V78 HydrophobicContact CG1-CG1 3.58Å; H75-V78 HydrophobicContact CB-CG2 4.25Å; H75-V78 PolarHBondContact O-N 3.47Å; H75-V78 VanDerWaalsContact O-N 3.16Å; S76-V78 PolarHBondContact O-N 2.86Å; V78-A82 VanDerWaalsContact O-CB 3.27Å; V78-A82 WeakPolarHBondContact O-CB 3.36Å; V78-A82 PolarHBondContact O-N 3.15Å |
| 79 | K | 94.4 | Very high | 93.1 | Very high | 47 Ų | 47 | 33.4 Ų | 33.4 | 20% | 0.204 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -43.8 | 171.7 | -55.6 | 180 | -151 | -166.9 | 0 | 111.2 | S69 S71 V74 H75 S76 A82 L83 | S69-K79 WeakPolarHBondContact O-CD 3.22Å; S71-K79 WeakPolarHBondContact O-CE 3.47Å; S71-K79 PolarHBondContact O-NZ 3.31Å; V74-K79 HydrophobicContact CB-CG 4.17Å; V74-K79 HydrophobicContact CG1-CG 3.9Å; V74-K79 WeakPolarHBondContact O-CE 3.24Å; V74-K79 PolarHBondContact O-NZ 2.89Å; H75-K79 PolarHBondContact O-N 2.82Å; S76-K79 WeakPolarHBondContact O-CA 3.18Å; S76-K79 WeakPolarHBondContact O-CB 3.43Å; S76-K79 PolarHBondContact O-N 3.25Å; K79-A82 PolarHBondContact O-N 2.99Å; K79-L83 WeakPolarHBondContact O-CG 3.3Å; K79-L83 PolarHBondContact O-N 2.95Å |
| 80 | E | 94.6 | Very high | 93.2 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 7% | 0.065 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.8 | -43 | 178.7 | -67 | 174.8 | 170.6 | 0 | 0 | 111.5 | S76 A82 L83 F84 N120 K121 V124 | S76-E80 WeakPolarHBondContact O-CG 3.47Å; S76-E80 PolarHBondContact O-N 3.15Å; E80-A82 VanDerWaalsContact C-N 3.33Å; E80-A82 PolarHBondContact O-N 3.24Å; E80-L83 PolarHBondContact O-N 3.46Å; E80-F84 WeakPolarHBondContact O-CB 3.43Å; E80-F84 PolarHBondContact O-N 3.28Å; E80-N120 PolarHBondContact OE2-ND2 2.87Å; E80-K121 HydrophobicContact CG-CB 4.33Å; E80-K121 WeakPolarHBondContact OE1-CB 3.41Å; E80-K121 PolarHBondContact OE1-N 3.26Å; E80-V124 HydrophobicContact CB-CG2 4.26Å; E80-V124 HydrophobicContact CG-CG2 4.43Å |
| 81 | T | 95.8 | Very high | 93.3 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 173.1 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | K36 L39 L40 D77 F84 T85 | K36-T81 HydrophobicContact CG-CG2 4.43Å; L39-T81 HydrophobicContact CB-CG2 3.66Å; L39-T81 HydrophobicContact CD1-CG2 3.84Å; L39-T81 HydrophobicContact CG-CG2 4.41Å; L40-T81 HydrophobicContact CD2-CG2 4.25Å; L40-T81 HydrophobicContact CG-CG2 4.26Å; D77-T81 VanDerWaalsContact O-CB 3.24Å; D77-T81 WeakPolarHBondContact O-CB 3.28Å; D77-T81 PolarHBondContact O-N 3.2Å; D77-T81 PolarHBondContact O-OG1 3.25Å; T81-F84 PolarHBondContact O-N 3.34Å; T81-T85 PolarHBondContact O-N 2.97Å; T81-T85 PolarHBondContact O-OG1 3.36Å |
| 82 | A | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L39 L68 V78 K79 E80 T85 L86 | L39-A82 HydrophobicContact CD1-CB 4.23Å; L68-A82 HydrophobicContact CD2-CB 4.11Å; V78-A82 VanDerWaalsContact O-CB 3.27Å; V78-A82 WeakPolarHBondContact O-CB 3.36Å; V78-A82 PolarHBondContact O-N 3.15Å; K79-A82 PolarHBondContact O-N 2.99Å; E80-A82 VanDerWaalsContact C-N 3.33Å; E80-A82 PolarHBondContact O-N 3.24Å; A82-T85 PolarHBondContact O-N 3.27Å; A82-L86 WeakPolarHBondContact O-CB 3.34Å; A82-L86 VanDerWaalsContact O-CG 3.25Å; A82-L86 WeakPolarHBondContact O-CG 3.35Å; A82-L86 PolarHBondContact O-N 3.23Å |
| 83 | L | 96.3 | Very high | 93.8 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 172.4 | -70.6 | 171 | 0 | 0 | 0 | 111.8 | K79 E80 L86 G87 V124 L128 | K79-L83 WeakPolarHBondContact O-CG 3.3Å; K79-L83 PolarHBondContact O-N 2.95Å; E80-L83 PolarHBondContact O-N 3.46Å; L83-L86 PolarHBondContact O-N 3.35Å; L83-G87 PolarHBondContact O-N 3.46Å; L83-V124 HydrophobicContact CB-CB 4.28Å; L83-V124 HydrophobicContact CB-CG2 3.86Å; L83-V124 HydrophobicContact CD1-CG2 3.9Å; L83-L128 HydrophobicContact CD2-CD2 3.94Å |
| 84 | F | 96.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 27.5 Ų | 27.5 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.6 | -49.5 | 174.7 | 173.5 | -101.1 | 0 | 0 | 0 | 111.6 | E80 T81 L86 G87 T88 V124 Y127 F537 | E80-F84 WeakPolarHBondContact O-CB 3.43Å; E80-F84 PolarHBondContact O-N 3.28Å; T81-F84 PolarHBondContact O-N 3.34Å; F84-L86 VanDerWaalsContact C-N 3.33Å; F84-L86 PolarHBondContact O-N 2.82Å; F84-G87 PolarHBondContact O-N 3.22Å; F84-G87 VanDerWaalsContact O-N 3.09Å; F84-T88 HydrophobicContact CD1-CG2 4.42Å; F84-T88 HydrophobicContact CD2-CG2 4.47Å; F84-T88 HydrophobicContact CE1-CG2 3.91Å; F84-T88 HydrophobicContact CE2-CG2 3.96Å; F84-T88 HydrophobicContact CZ-CG2 3.65Å; F84-T88 WeakPolarHBondContact O-CG2 3.39Å; F84-T88 PolarHBondContact O-N 2.86Å; F84-V124 HydrophobicContact CB-CG1 4.2Å; F84-Y127 HydrophobicContact CD2-CD1 4.13Å; F84-Y127 HydrophobicContact CD2-CE1 4Å; F84-Y127 HydrophobicContact CE2-CE1 4.16Å; F84-F537 HydrophobicContact CB-CE1 4.42Å; F84-F537 HydrophobicContact CD2-CE1 4.42Å; F84-F537 HydrophobicContact CG-CE1 4.42Å |
| 85 | T | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.9 | -46.4 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | I42 H43 L65 T81 A82 G87 T88 L89 | I42-T85 HydrophobicContact CG2-CG2 4.44Å; H43-T85 HydrophobicContact CB-CG2 4.4Å; L65-T85 HydrophobicContact CD1-CG2 3.79Å; T81-T85 PolarHBondContact O-N 2.97Å; T81-T85 PolarHBondContact O-OG1 3.36Å; A82-T85 PolarHBondContact O-N 3.27Å; T85-G87 VanDerWaalsContact C-N 3.32Å; T85-G87 PolarHBondContact O-N 3.07Å; T85-T88 PolarHBondContact O-N 2.9Å; T85-T88 PolarHBondContact O-OG1 3.09Å; T85-L89 HydrophobicContact CG2-CD1 3.93Å; T85-L89 HydrophobicContact CG2-CG 4.25Å; T85-L89 VanDerWaalsContact O-CG 3.23Å; T85-L89 WeakPolarHBondContact O-CG 3.25Å; T85-L89 PolarHBondContact O-N 3.01Å |
| 86 | L | 97.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.4 | -42.6 | 174.9 | -74.2 | 167.5 | 0 | 0 | 0 | 112.9 | V62 L65 A82 L83 F84 L89 A90 L100 L128 | V62-L86 HydrophobicContact CG1-CD2 3.97Å; L65-L86 HydrophobicContact CB-CD1 4.35Å; L65-L86 HydrophobicContact CB-CD2 3.81Å; L65-L86 HydrophobicContact CB-CG 3.97Å; A82-L86 WeakPolarHBondContact O-CB 3.34Å; A82-L86 VanDerWaalsContact O-CG 3.25Å; A82-L86 WeakPolarHBondContact O-CG 3.35Å; A82-L86 PolarHBondContact O-N 3.23Å; L83-L86 PolarHBondContact O-N 3.35Å; F84-L86 VanDerWaalsContact C-N 3.33Å; F84-L86 PolarHBondContact O-N 2.82Å; L86-L89 PolarHBondContact O-N 3.42Å; L86-A90 WeakPolarHBondContact O-CB 3.29Å; L86-A90 PolarHBondContact O-N 3.1Å; L86-L100 HydrophobicContact CB-CD1 4.49Å; L86-L100 HydrophobicContact CD2-CD1 4.16Å; L86-L100 HydrophobicContact CD2-CD2 4.12Å; L86-L128 HydrophobicContact CB-CD1 4.32Å |
| 87 | G | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.7 | -51.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | L83 F84 T85 L89 A90 E91 | L83-G87 PolarHBondContact O-N 3.46Å; F84-G87 PolarHBondContact O-N 3.22Å; F84-G87 VanDerWaalsContact O-N 3.09Å; T85-G87 VanDerWaalsContact C-N 3.32Å; T85-G87 PolarHBondContact O-N 3.07Å; G87-L89 VanDerWaalsContact C-N 3.31Å; G87-L89 PolarHBondContact O-N 2.94Å; G87-A90 PolarHBondContact O-N 3.43Å; G87-A90 VanDerWaalsContact O-N 3.13Å; G87-E91 WeakPolarHBondContact O-CB 3.48Å; G87-E91 PolarHBondContact O-N 3.45Å |
| 88 | T | 95.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 29.8 Ų | 29.8 | 10% | 0.098 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.7 | -34.4 | -179.9 | 66.5 | 0 | 0 | 0 | 0 | 113 | H43 F84 T85 E91 A92 Y127 | H43-T88 WeakPolarHBondContact ND1-CB 3.49Å; H43-T88 PolarHBondContact ND1-OG1 3.4Å; F84-T88 HydrophobicContact CD1-CG2 4.42Å; F84-T88 HydrophobicContact CD2-CG2 4.47Å; F84-T88 HydrophobicContact CE1-CG2 3.91Å; F84-T88 HydrophobicContact CE2-CG2 3.96Å; F84-T88 HydrophobicContact CZ-CG2 3.65Å; F84-T88 WeakPolarHBondContact O-CG2 3.39Å; F84-T88 PolarHBondContact O-N 2.86Å; T85-T88 PolarHBondContact O-N 2.9Å; T85-T88 PolarHBondContact O-OG1 3.09Å; T88-E91 PolarHBondContact O-N 3.13Å; T88-A92 WeakPolarHBondContact O-CB 3Å; T88-A92 PolarHBondContact O-N 3.21Å; T88-Y127 WeakPolarHBondContact CA-OH 3.46Å; T88-Y127 HydrophobicContact CG2-CE1 4.16Å; T88-Y127 WeakPolarHBondContact CG2-OH 3.5Å; T88-Y127 PolarHBondContact N-OH 3.01Å |
| 89 | L | 95.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.6 | -36.7 | 175.3 | -64.4 | 169.9 | 0 | 0 | 0 | 112 | C46 V53 L56 L65 T85 L86 G87 N93 C96 | C46-L89 HydrophobicContact CB-CD2 3.55Å; C46-L89 VanDerWaalsContact SG-CD2 3.55Å; V53-L89 HydrophobicContact CB-CD2 4.46Å; V53-L89 HydrophobicContact CG1-CB 4.17Å; V53-L89 HydrophobicContact CG1-CD2 4.02Å; V53-L89 HydrophobicContact CG2-CD2 3.97Å; L56-L89 HydrophobicContact CD2-CD1 3.51Å; L56-L89 HydrophobicContact CD2-CD2 3.74Å; L56-L89 HydrophobicContact CD2-CG 4.29Å; L65-L89 HydrophobicContact CD1-CD1 3.81Å; T85-L89 HydrophobicContact CG2-CD1 3.93Å; T85-L89 HydrophobicContact CG2-CG 4.25Å; T85-L89 VanDerWaalsContact O-CG 3.23Å; T85-L89 WeakPolarHBondContact O-CG 3.25Å; T85-L89 PolarHBondContact O-N 3.01Å; L86-L89 PolarHBondContact O-N 3.42Å; G87-L89 VanDerWaalsContact C-N 3.31Å; G87-L89 PolarHBondContact O-N 2.94Å; L89-N93 PolarHBondContact O-N 2.82Å; L89-C96 WeakPolarHBondContact O-CB 3.38Å |
| 90 | A | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.6 | -29 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L86 G87 K97 L100 V131 L132 | L86-A90 WeakPolarHBondContact O-CB 3.29Å; L86-A90 PolarHBondContact O-N 3.1Å; G87-A90 PolarHBondContact O-N 3.43Å; G87-A90 VanDerWaalsContact O-N 3.13Å; A90-K97 HydrophobicContact CB-CB 4.33Å; A90-K97 WeakPolarHBondContact O-CB 3.31Å; A90-K97 VanDerWaalsContact O-CE 3.24Å; A90-K97 WeakPolarHBondContact O-CE 3.38Å; A90-L100 HydrophobicContact CB-CD1 3.98Å; A90-V131 VanDerWaalsContact C-CG1 3.49Å; A90-V131 HydrophobicContact CB-CG1 3.6Å; A90-L132 HydrophobicContact CB-CD2 4.42Å |
| 91 | E | 94.3 | Very high | 95.1 | Very high | 104 Ų | 104 | 30 Ų | 30 | 49% | 0.486 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -72.5 | -44.1 | 175.2 | -173.7 | 165.5 | -156.2 | 0 | 0 | 110.8 | G87 T88 N93 Y127 V131 | G87-E91 WeakPolarHBondContact O-CB 3.48Å; G87-E91 PolarHBondContact O-N 3.45Å; T88-E91 PolarHBondContact O-N 3.13Å; E91-N93 PolarHBondContact O-N 3.38Å; E91-Y127 PolarHBondContact OE2-OH 2.91Å; E91-V131 HydrophobicContact CB-CG1 3.85Å; E91-V131 HydrophobicContact CB-CG2 4.06Å; E91-V131 HydrophobicContact CG-CG2 4.48Å; E91-V131 VanDerWaalsContact N-CG1 3.31Å |
| 92 | A | 92.5 | Very high | 95.2 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 36% | 0.355 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -75.9 | -16.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | E50 V53 T88 | E50-A92 WeakPolarHBondContact CG-O 3.3Å; V53-A92 HydrophobicContact CG2-CB 4.2Å; T88-A92 WeakPolarHBondContact O-CB 3Å; T88-A92 PolarHBondContact O-N 3.21Å |
| 93 | N | 93.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | trans | -149.9 | 121.6 | -172.9 | 178.9 | -108 | 0 | 0 | 0 | 113.4 | E50 V53 D54 R57 L89 E91 Y95 C96 K97 | E50-N93 HydrophobicContact CG-CB 3.99Å; E50-N93 WeakPolarHBondContact CG-ND2 3.28Å; E50-N93 WeakPolarHBondContact OE1-CA 3.37Å; E50-N93 PolarHBondContact OE1-ND2 3.12Å; V53-N93 HydrophobicContact CB-CB 3.86Å; V53-N93 HydrophobicContact CG1-CB 3.54Å; V53-N93 HydrophobicContact CG2-CB 4.32Å; D54-N93 PolarHBondContact OD1-ND2 2.96Å; D54-N93 VanDerWaalsContact OD1-ND2 3.09Å; R57-N93 PolarHBondContact NH1-OD1 3.43Å; L89-N93 PolarHBondContact O-N 2.82Å; E91-N93 PolarHBondContact O-N 3.38Å; N93-Y95 VanDerWaalsContact C-N 3.33Å; N93-Y95 PolarHBondContact O-N 2.98Å; N93-Y95 PolarHBondContact OD1-N 3.38Å; N93-C96 HydrophobicContact CB-CB 4.03Å; N93-C96 WeakPolarHBondContact O-CB 3.44Å; N93-C96 PolarHBondContact O-N 3.33Å; N93-C96 VanDerWaalsContact O-N 3.15Å; N93-C96 WeakPolarHBondContact OD1-CB 3.42Å; N93-C96 PolarHBondContact OD1-N 3.02Å; N93-K97 PolarHBondContact O-N 3.28Å | ||
| 94 | V | 92.4 | Very high | 95.2 | Very high | 92 Ų | 92 | 42.6 Ų | 42.6 | 56% | 0.558 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -64.6 | -35.2 | -176.2 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | K97 N98 | V94-K97 PolarHBondContact O-N 3.09Å; V94-N98 WeakPolarHBondContact O-CB 3.39Å; V94-N98 VanDerWaalsContact O-CG 3.28Å; V94-N98 PolarHBondContact O-N 3.19Å; V94-N98 PolarHBondContact O-ND2 3.24Å |
| 95 | Y | 91.8 | Very high | 95.2 | Very high | 153 Ų | 153 | 41.2 Ų | 41.2 | 60% | 0.6 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -67 | -36 | 176.5 | -62.3 | -74.2 | 0 | 0 | 0 | 112.4 | N93 S99 | N93-Y95 VanDerWaalsContact C-N 3.33Å; N93-Y95 PolarHBondContact O-N 2.98Å; N93-Y95 PolarHBondContact OD1-N 3.38Å; Y95-S99 WeakPolarHBondContact O-CB 3.46Å; Y95-S99 PolarHBondContact O-N 3.47Å; Y95-S99 PolarHBondContact O-OG 2.84Å |
| 96 | C | 94.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67 | -46 | 171.9 | -169.1 | 0 | 0 | 0 | 0 | 111.4 | V53 L89 N93 N98 S99 L100 | V53-C96 HydrophobicContact CG1-CB 3.93Å; L89-C96 WeakPolarHBondContact O-CB 3.38Å; N93-C96 HydrophobicContact CB-CB 4.03Å; N93-C96 WeakPolarHBondContact O-CB 3.44Å; N93-C96 PolarHBondContact O-N 3.33Å; N93-C96 VanDerWaalsContact O-N 3.15Å; N93-C96 WeakPolarHBondContact OD1-CB 3.42Å; N93-C96 PolarHBondContact OD1-N 3.02Å; C96-N98 VanDerWaalsContact C-N 3.32Å; C96-N98 PolarHBondContact O-N 3.27Å; C96-S99 PolarHBondContact O-N 3.42Å; C96-S99 PolarHBondContact O-OG 2.96Å; C96-L100 WeakPolarHBondContact O-CG 3.42Å; C96-L100 PolarHBondContact O-N 3.13Å; C96-L100 VanDerWaalsContact O-N 3.13Å |
| 97 | K | 95.2 | Very high | 95.2 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 13% | 0.13 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.4 | -50 | 174.3 | -165.4 | -178.6 | -66.2 | -145 | 0 | 111.4 | A90 N93 V94 L100 C101 V131 L132 A134 N136 | A90-K97 HydrophobicContact CB-CB 4.33Å; A90-K97 WeakPolarHBondContact O-CB 3.31Å; A90-K97 VanDerWaalsContact O-CE 3.24Å; A90-K97 WeakPolarHBondContact O-CE 3.38Å; N93-K97 PolarHBondContact O-N 3.28Å; V94-K97 PolarHBondContact O-N 3.09Å; K97-L100 PolarHBondContact O-N 3.4Å; K97-C101 PolarHBondContact O-N 3.28Å; K97-C101 PolarHBondContact O-SG 3.47Å; K97-V131 WeakPolarHBondContact CD-O 3.42Å; K97-V131 WeakPolarHBondContact CE-O 3.27Å; K97-V131 PolarHBondContact NZ-O 2.89Å; K97-L132 HydrophobicContact CG-CD2 4.19Å; K97-A134 PolarHBondContact NZ-O 3.41Å; K97-N136 HydrophobicContact CD-CB 4.19Å |
| 98 | N | 93.3 | Very high | 95.1 | Very high | 74 Ų | 74 | 47.1 Ų | 47.1 | 40% | 0.396 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.2 | -36.4 | -178.9 | -70.4 | -18.1 | 0 | 0 | 0 | 112.8 | V94 C96 L100 C101 | V94-N98 WeakPolarHBondContact O-CB 3.39Å; V94-N98 VanDerWaalsContact O-CG 3.28Å; V94-N98 PolarHBondContact O-N 3.19Å; V94-N98 PolarHBondContact O-ND2 3.24Å; C96-N98 VanDerWaalsContact C-N 3.32Å; C96-N98 PolarHBondContact O-N 3.27Å; N98-L100 PolarHBondContact O-N 2.72Å; N98-C101 WeakPolarHBondContact O-CB 3.38Å; N98-C101 PolarHBondContact O-N 3.17Å; N98-C101 VanDerWaalsContact O-N 3.13Å |
| 99 | S | 94 | Very high | 95.2 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.7 | -23.3 | 176.4 | 73.1 | 0 | 0 | 0 | 0 | 113.3 | Y95 C96 R102 | Y95-S99 WeakPolarHBondContact O-CB 3.46Å; Y95-S99 PolarHBondContact O-N 3.47Å; Y95-S99 PolarHBondContact O-OG 2.84Å; C96-S99 PolarHBondContact O-N 3.42Å; C96-S99 PolarHBondContact O-OG 2.96Å; S99-R102 WeakPolarHBondContact O-CD 3.38Å |
| 100 | L | 96.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -4.8 | 173.4 | -67.7 | 166.9 | 0 | 0 | 0 | 113.4 | V62 L86 A90 C96 K97 N98 R102 I105 L132 | V62-L100 HydrophobicContact CG1-CD1 4.09Å; V62-L100 HydrophobicContact CG1-CD2 3.85Å; V62-L100 HydrophobicContact CG1-CG 3.95Å; L86-L100 HydrophobicContact CB-CD1 4.49Å; L86-L100 HydrophobicContact CD2-CD1 4.16Å; L86-L100 HydrophobicContact CD2-CD2 4.12Å; A90-L100 HydrophobicContact CB-CD1 3.98Å; C96-L100 WeakPolarHBondContact O-CG 3.42Å; C96-L100 PolarHBondContact O-N 3.13Å; C96-L100 VanDerWaalsContact O-N 3.13Å; K97-L100 PolarHBondContact O-N 3.4Å; N98-L100 PolarHBondContact O-N 2.72Å; L100-R102 VanDerWaalsContact C-N 3.29Å; L100-R102 PolarHBondContact O-N 3.2Å; L100-I105 HydrophobicContact CB-CD1 4.17Å; L100-I105 HydrophobicContact CD2-CD1 3.84Å; L100-I105 WeakPolarHBondContact O-CD1 3.39Å; L100-L132 HydrophobicContact CB-CD2 3.6Å |
| 101 | C | 97.1 | Very high | 95 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 8% | 0.081 | 26% | 0.255 | C | S | . | . | trans | -83.2 | 71.3 | 174 | -70.4 | 0 | 0 | 0 | 0 | 111.7 | K97 N98 N136 L138 L142 | K97-C101 PolarHBondContact O-N 3.28Å; K97-C101 PolarHBondContact O-SG 3.47Å; N98-C101 WeakPolarHBondContact O-CB 3.38Å; N98-C101 PolarHBondContact O-N 3.17Å; N98-C101 VanDerWaalsContact O-N 3.13Å; C101-N136 PolarHBondContact SG-ND2 3.39Å; C101-L138 HydrophobicContact CB-CD2 3.72Å; C101-L138 HydrophobicContact CB-CG 4.01Å; C101-L142 HydrophobicContact CB-CD1 3.93Å; C101-L142 WeakPolarHBondContact O-CD1 3.22Å | ||
| 102 | R | 96.7 | Very high | 94.9 | Very high | 100 Ų | 100 | 44.8 Ų | 44.8 | 38% | 0.377 | 24% | 0.236 | S | C | . | . | trans | -127.6 | 143.5 | 179.6 | -51.8 | -174 | -59.8 | 105.2 | 13.4 | 110.6 | S99 L100 D104 I105 F106 | S99-R102 WeakPolarHBondContact O-CD 3.38Å; L100-R102 VanDerWaalsContact C-N 3.29Å; L100-R102 PolarHBondContact O-N 3.2Å; R102-D104 VanDerWaalsContact C-N 3.27Å; R102-D104 WeakPolarHBondContact CB-OD1 3.49Å; R102-D104 IonicContact CZ-OD1 3.36Å; R102-D104 IonicContact CZ-OD2 3.32Å; R102-D104 IonicContact NE-OD1 2.62Å; R102-D104 IonicContact NH1-OD1 2.73Å; R102-D104 PolarHBondContact NH1-OD1 3.19Å; R102-D104 IonicContact NH1-OD2 3.17Å; R102-D104 PolarHBondContact NH1-OD2 2.86Å; R102-D104 IonicContact NH2-OD1 3.91Å; R102-D104 PolarHBondContact NH2-OD1 3.2Å; R102-D104 IonicContact NH2-OD2 2.74Å; R102-D104 PolarHBondContact NH2-OD2 3.45Å; R102-D104 PolarHBondContact O-N 2.86Å; R102-I105 HydrophobicContact CB-CD1 4.04Å; R102-I105 HydrophobicContact CB-CG1 4.31Å; R102-I105 HydrophobicContact CG-CD1 4.23Å; R102-I105 WeakPolarHBondContact O-CB 3.28Å; R102-I105 PolarHBondContact O-N 3.26Å; R102-I105 VanDerWaalsContact O-N 3.09Å; R102-F106 WeakPolarHBondContact O-CD2 3.34Å; R102-F106 PolarHBondContact O-N 2.95Å | ||
| 103 | K | 97.3 | Very high | 94.9 | Very high | 121 Ų | 121 | 42.9 Ų | 42.9 | 53% | 0.526 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.1 | -34.7 | -173.4 | -168.9 | 177.3 | -178.6 | 175.7 | 0 | 113.4 | F106 I107 L142 T146 | K103-F106 PolarHBondContact O-N 3.46Å; K103-I107 HydrophobicContact CG-CD1 4.08Å; K103-I107 WeakPolarHBondContact O-CG1 3.4Å; K103-I107 PolarHBondContact O-N 3.43Å; K103-I107 VanDerWaalsContact O-N 3.12Å; K103-L142 HydrophobicContact CB-CD2 4.16Å; K103-T146 HydrophobicContact CG-CG2 3.71Å |
| 104 | D | 95.9 | Very high | 94.7 | Very high | 58 Ų | 58 | 47.4 Ų | 47.4 | 31% | 0.31 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 175.5 | 60.7 | -49.3 | 0 | 0 | 0 | 112 | Y66 R102 F106 I107 D108 | Y66-D104 PolarHBondContact OH-OD2 3.34Å; R102-D104 VanDerWaalsContact C-N 3.27Å; R102-D104 WeakPolarHBondContact CB-OD1 3.49Å; R102-D104 IonicContact CZ-OD1 3.36Å; R102-D104 IonicContact CZ-OD2 3.32Å; R102-D104 IonicContact NE-OD1 2.62Å; R102-D104 IonicContact NH1-OD1 2.73Å; R102-D104 PolarHBondContact NH1-OD1 3.19Å; R102-D104 IonicContact NH1-OD2 3.17Å; R102-D104 PolarHBondContact NH1-OD2 2.86Å; R102-D104 IonicContact NH2-OD1 3.91Å; R102-D104 PolarHBondContact NH2-OD1 3.2Å; R102-D104 IonicContact NH2-OD2 2.74Å; R102-D104 PolarHBondContact NH2-OD2 3.45Å; R102-D104 PolarHBondContact O-N 2.86Å; D104-F106 VanDerWaalsContact C-N 3.3Å; D104-F106 PolarHBondContact O-N 3.16Å; D104-I107 PolarHBondContact O-N 3.36Å; D104-I107 VanDerWaalsContact O-N 3.15Å; D104-D108 PolarHBondContact O-N 2.97Å; D104-D108 VanDerWaalsContact O-OD2 3.05Å |
| 105 | I | 96.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 179.6 | -63.7 | 171.7 | 0 | 0 | 0 | 110.7 | Y66 L100 R102 D108 I109 L132 | Y66-I105 HydrophobicContact CD2-CG1 4.14Å; Y66-I105 HydrophobicContact CE1-CG1 4.16Å; Y66-I105 HydrophobicContact CE2-CB 4.24Å; Y66-I105 HydrophobicContact CE2-CD1 4.44Å; Y66-I105 HydrophobicContact CE2-CG1 3.53Å; Y66-I105 HydrophobicContact CE2-CG2 4.38Å; Y66-I105 VanDerWaalsContact CZ-CG1 3.49Å; Y66-I105 WeakPolarHBondContact OH-CG1 3.38Å; L100-I105 HydrophobicContact CB-CD1 4.17Å; L100-I105 HydrophobicContact CD2-CD1 3.84Å; L100-I105 WeakPolarHBondContact O-CD1 3.39Å; R102-I105 HydrophobicContact CB-CD1 4.04Å; R102-I105 HydrophobicContact CB-CG1 4.31Å; R102-I105 HydrophobicContact CG-CD1 4.23Å; R102-I105 WeakPolarHBondContact O-CB 3.28Å; R102-I105 PolarHBondContact O-N 3.26Å; R102-I105 VanDerWaalsContact O-N 3.09Å; I105-D108 PolarHBondContact O-N 3.14Å; I105-I109 HydrophobicContact CG2-CD1 4.01Å; I105-I109 VanDerWaalsContact O-CG1 3.31Å; I105-I109 WeakPolarHBondContact O-CG1 3.16Å; I105-I109 PolarHBondContact O-N 3.45Å; I105-L132 HydrophobicContact CG2-CD1 4.3Å |
| 106 | F | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68 | -37.5 | 179 | -82.5 | -102.8 | 0 | 0 | 0 | 112.5 | R102 K103 D104 D108 I109 A110 L129 L132 V133 G139 L142 A143 T146 C148 | R102-F106 WeakPolarHBondContact O-CD2 3.34Å; R102-F106 PolarHBondContact O-N 2.95Å; K103-F106 PolarHBondContact O-N 3.46Å; D104-F106 VanDerWaalsContact C-N 3.3Å; D104-F106 PolarHBondContact O-N 3.16Å; F106-D108 VanDerWaalsContact C-N 3.35Å; F106-D108 PolarHBondContact O-N 3Å; F106-I109 PolarHBondContact O-N 3.5Å; F106-A110 PolarHBondContact O-N 3.21Å; F106-L129 HydrophobicContact CD1-CD1 3.79Å; F106-L129 HydrophobicContact CE1-CD1 3.46Å; F106-L129 VanDerWaalsContact CE1-CD1 3.46Å; F106-L129 HydrophobicContact CZ-CD1 4.39Å; F106-L132 HydrophobicContact CE2-CB 4.33Å; F106-L132 HydrophobicContact CE2-CD1 4Å; F106-L132 HydrophobicContact CZ-CB 3.81Å; F106-L132 HydrophobicContact CZ-CD1 4.18Å; F106-V133 HydrophobicContact CE1-CG1 4.26Å; F106-G139 WeakPolarHBondContact CE1-O 3.17Å; F106-L142 HydrophobicContact CD1-CB 3.98Å; F106-L142 HydrophobicContact CD2-CB 3.81Å; F106-L142 HydrophobicContact CD2-CD1 4.02Å; F106-L142 HydrophobicContact CE1-CB 3.98Å; F106-L142 HydrophobicContact CE2-CB 3.82Å; F106-L142 HydrophobicContact CE2-CD1 3.82Å; F106-L142 HydrophobicContact CG-CB 3.88Å; F106-L142 HydrophobicContact CZ-CB 3.9Å; F106-A143 HydrophobicContact CD1-CB 4.19Å; F106-A143 HydrophobicContact CE1-CB 3.87Å; F106-T146 HydrophobicContact CB-CG2 3.87Å; F106-T146 WeakPolarHBondContact CB-OG1 3.39Å; F106-C148 PolarHBondContact O-SG 3.03Å |
| 107 | I | 96.7 | Very high | 93 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 46% | 0.456 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 173.2 | -69 | 165.6 | 0 | 0 | 0 | 111.2 | K103 D104 A110 G111 T146 | K103-I107 HydrophobicContact CG-CD1 4.08Å; K103-I107 WeakPolarHBondContact O-CG1 3.4Å; K103-I107 PolarHBondContact O-N 3.43Å; K103-I107 VanDerWaalsContact O-N 3.12Å; D104-I107 PolarHBondContact O-N 3.36Å; D104-I107 VanDerWaalsContact O-N 3.15Å; I107-A110 WeakPolarHBondContact O-CB 3.4Å; I107-A110 PolarHBondContact O-N 3.39Å; I107-G111 PolarHBondContact O-N 3.13Å; I107-T146 HydrophobicContact CG1-CG2 3.94Å |
| 108 | D | 95.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.193 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 175.3 | -59.8 | -54.5 | 0 | 0 | 0 | 112 | Y66 K70 D104 I105 F106 G111 H112 | Y66-D108 PolarHBondContact OH-OD2 3.31Å; K70-D108 WeakPolarHBondContact CD-OD2 3.44Å; K70-D108 VanDerWaalsContact CE-CG 3.44Å; K70-D108 WeakPolarHBondContact CE-OD1 3.45Å; K70-D108 VanDerWaalsContact CE-OD2 3.23Å; K70-D108 WeakPolarHBondContact CE-OD2 3.41Å; K70-D108 IonicContact NZ-OD1 3.31Å; K70-D108 PolarHBondContact NZ-OD1 3.17Å; K70-D108 IonicContact NZ-OD2 3.37Å; K70-D108 PolarHBondContact NZ-OD2 3.11Å; D104-D108 PolarHBondContact O-N 2.97Å; D104-D108 VanDerWaalsContact O-OD2 3.05Å; I105-D108 PolarHBondContact O-N 3.14Å; F106-D108 VanDerWaalsContact C-N 3.35Å; F106-D108 PolarHBondContact O-N 3Å; D108-G111 CarbonylContact O-C 3.08Å; D108-G111 WeakPolarHBondContact O-CA 3.18Å; D108-G111 PolarHBondContact O-N 3.02Å; D108-G111 VanDerWaalsContact O-N 3.15Å; D108-H112 PolarHBondContact O-CD2 3Å; D108-H112 PolarHBondContact O-N 3.11Å |
| 109 | I | 96.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 173.1 | -71.7 | 169.2 | 0 | 0 | 0 | 110 | I105 F106 G111 H112 L113 L128 L129 L132 | I105-I109 HydrophobicContact CG2-CD1 4.01Å; I105-I109 VanDerWaalsContact O-CG1 3.31Å; I105-I109 WeakPolarHBondContact O-CG1 3.16Å; I105-I109 PolarHBondContact O-N 3.45Å; F106-I109 PolarHBondContact O-N 3.5Å; I109-G111 VanDerWaalsContact C-N 3.26Å; I109-G111 PolarHBondContact O-N 3.39Å; I109-H112 WeakPolarHBondContact O-CA 3.46Å; I109-H112 WeakPolarHBondContact O-CB 3.43Å; I109-H112 PolarHBondContact O-N 3.33Å; I109-L113 HydrophobicContact CG2-CD1 4.01Å; I109-L113 HydrophobicContact CG2-CG 4.46Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 3Å; I109-L113 VanDerWaalsContact O-N 3.16Å; I109-L128 HydrophobicContact CD1-CD2 4.02Å; I109-L128 HydrophobicContact CD1-CG 4.09Å; I109-L128 HydrophobicContact CG1-CD2 4.42Å; I109-L129 HydrophobicContact CG2-CB 4.01Å; I109-L129 HydrophobicContact CG2-CD1 4.33Å; I109-L129 HydrophobicContact CG2-CD2 3.99Å; I109-L129 HydrophobicContact CG2-CG 4.34Å; I109-L132 HydrophobicContact CD1-CD1 3.95Å |
| 110 | A | 95.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.2 | -39.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F106 I107 H112 L113 Q114 I151 | F106-A110 PolarHBondContact O-N 3.21Å; I107-A110 WeakPolarHBondContact O-CB 3.4Å; I107-A110 PolarHBondContact O-N 3.39Å; A110-H112 VanDerWaalsContact C-N 3.33Å; A110-H112 PolarHBondContact O-N 2.98Å; A110-L113 PolarHBondContact O-N 2.65Å; A110-Q114 PolarHBondContact O-NE2 3.25Å; A110-I151 HydrophobicContact CB-CD1 3.59Å |
| 111 | G | 93.4 | Very high | 92 | Very high | 37 Ų | 37 | 55 Ų | 55 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.1 | -30 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I107 D108 I109 L113 Q114 | I107-G111 PolarHBondContact O-N 3.13Å; D108-G111 CarbonylContact O-C 3.08Å; D108-G111 WeakPolarHBondContact O-CA 3.18Å; D108-G111 PolarHBondContact O-N 3.02Å; D108-G111 VanDerWaalsContact O-N 3.15Å; I109-G111 VanDerWaalsContact C-N 3.26Å; I109-G111 PolarHBondContact O-N 3.39Å; G111-L113 VanDerWaalsContact C-N 3.32Å; G111-Q114 WeakPolarHBondContact O-CG 3.41Å |
| 112 | H | 92.4 | Very high | 91.9 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 10% | 0.102 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -79.9 | -11.8 | 176.8 | -65.4 | -174.2 | 0 | 0 | 0 | 114.2 | D108 I109 A110 S117 K121 S125 | D108-H112 PolarHBondContact O-CD2 3Å; D108-H112 PolarHBondContact O-N 3.11Å; I109-H112 WeakPolarHBondContact O-CA 3.46Å; I109-H112 WeakPolarHBondContact O-CB 3.43Å; I109-H112 PolarHBondContact O-N 3.33Å; A110-H112 VanDerWaalsContact C-N 3.33Å; A110-H112 PolarHBondContact O-N 2.98Å; H112-S117 WeakPolarHBondContact O-CB 3.25Å; H112-S117 PolarHBondContact O-OG 2.8Å; H112-K121 HydrophobicContact CB-CG 4.48Å; H112-K121 WeakPolarHBondContact CD2-CE 3.34Å; H112-K121 PolarHBondContact CD2-NZ 3.45Å; H112-K121 VanDerWaalsContact CG-CE 3.42Å; H112-K121 WeakPolarHBondContact NE2-CE 3.28Å; H112-K121 PolarHBondContact NE2-NZ 2.99Å; H112-S125 VanDerWaalsContact CB-OG 3.29Å; H112-S125 WeakPolarHBondContact CB-OG 3.35Å; H112-S125 PolarHBondContact ND1-OG 3.49Å |
| 113 | L | 92.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -3.4 | -178.7 | -65.9 | 179.7 | 0 | 0 | 0 | 113.5 | I109 A110 G111 K122 V126 L129 I151 L155 | I109-L113 HydrophobicContact CG2-CD1 4.01Å; I109-L113 HydrophobicContact CG2-CG 4.46Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 3Å; I109-L113 VanDerWaalsContact O-N 3.16Å; A110-L113 PolarHBondContact O-N 2.65Å; G111-L113 VanDerWaalsContact C-N 3.32Å; L113-K122 HydrophobicContact CD2-CB 4.41Å; L113-V126 HydrophobicContact CD2-CG2 3.48Å; L113-V126 VanDerWaalsContact CD2-CG2 3.48Å; L113-L129 HydrophobicContact CD1-CD2 4.06Å; L113-I151 HydrophobicContact CB-CG2 3.51Å; L113-I151 HydrophobicContact CD1-CG2 4.21Å; L113-L155 HydrophobicContact CB-CD1 4.14Å; L113-L155 HydrophobicContact CD2-CD1 4.13Å; L113-L155 HydrophobicContact CG-CD1 4.49Å |
| 114 | Q | 87.4 | Confident | 91.5 | Very high | 98 Ų | 98 | 47.2 Ų | 47.2 | 46% | 0.458 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -59.2 | 157.1 | 176.1 | -61.3 | -57.5 | -49.6 | 0 | 0 | 113 | A110 G111 D116 S117 K122 | A110-Q114 PolarHBondContact O-NE2 3.25Å; G111-Q114 WeakPolarHBondContact O-CG 3.41Å; Q114-D116 PolarHBondContact O-N 2.9Å; Q114-S117 WeakPolarHBondContact O-CB 3.46Å; Q114-S117 PolarHBondContact O-N 2.92Å; Q114-K122 WeakPolarHBondContact O-CE 3.34Å; Q114-K122 PolarHBondContact O-NZ 3.49Å |
| 115 | E | 75.1 | Confident | 91.6 | Very high | 173 Ų | 173 | 44.5 Ų | 44.5 | 81% | 0.808 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -46.2 | -170.1 | -166.6 | 167.5 | -172.9 | 0 | 0 | 113.4 | S117 K122 | E115-S117 PolarHBondContact O-N 3.42Å; E115-K122 PolarHBondContact O-NZ 3.31Å |
| 116 | D | 83.3 | Confident | 91.6 | Very high | 163 Ų | 163 | 44.3 Ų | 44.3 | 87% | 0.872 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -8.4 | -180 | -58.9 | -48 | 0 | 0 | 0 | 115.2 | Q114 | Q114-D116 PolarHBondContact O-N 2.9Š|
| 117 | S | 85.8 | Confident | 91.6 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -70.9 | 136.1 | -175.4 | -74.7 | 0 | 0 | 0 | 0 | 112.3 | H112 Q114 E115 K122 | H112-S117 WeakPolarHBondContact O-CB 3.25Å; H112-S117 PolarHBondContact O-OG 2.8Å; Q114-S117 WeakPolarHBondContact O-CB 3.46Å; Q114-S117 PolarHBondContact O-N 2.92Å; E115-S117 PolarHBondContact O-N 3.42Å; S117-K122 WeakPolarHBondContact O-CE 3.47Å; S117-K122 PolarHBondContact O-NZ 2.77Å |
| 118 | P | 88.9 | Confident | 91.6 | Very high | 72 Ų | 72 | 41.9 Ų | 41.9 | 47% | 0.468 | 22% | 0.221 | S | C | . | . | trans | -53 | 142.7 | 176.5 | -27.9 | 34.8 | 0 | 0 | 0 | 112.7 | N120 K121 K122 | P118-N120 VanDerWaalsContact C-N 3.26Å; P118-N120 PolarHBondContact O-N 3.46Å; P118-K121 HydrophobicContact CB-CB 4.28Å; P118-K121 WeakPolarHBondContact O-CB 3.36Å; P118-K121 PolarHBondContact O-N 3.02Å; P118-K121 VanDerWaalsContact O-N 3.13Å; P118-K122 PolarHBondContact O-N 3.25Å | ||
| 119 | L | 88 | Confident | 91.8 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 28% | 0.277 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -53 | -43.1 | -176.9 | 178.1 | 67.6 | 0 | 0 | 0 | 112.5 | K122 R123 Q173 L177 | L119-K122 WeakPolarHBondContact O-CB 3.41Å; L119-K122 PolarHBondContact O-N 3.27Å; L119-R123 HydrophobicContact CD1-CG 4.49Å; L119-R123 WeakPolarHBondContact O-CG 3.4Å; L119-R123 PolarHBondContact O-N 3.02Å; L119-Q173 HydrophobicContact CD2-CB 3.78Å; L119-Q173 HydrophobicContact CD2-CG 4.21Å; L119-L177 HydrophobicContact CD1-CB 4.2Å; L119-L177 HydrophobicContact CD1-CD2 3.79Å |
| 120 | N | 89.4 | Confident | 91.8 | Very high | 32 Ų | 32 | 41 Ų | 41 | 17% | 0.171 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.1 | -44.6 | -178.2 | -162 | 48.7 | 0 | 0 | 0 | 112 | E80 P118 K122 R123 V124 F537 | E80-N120 PolarHBondContact OE2-ND2 2.87Å; P118-N120 VanDerWaalsContact C-N 3.26Å; P118-N120 PolarHBondContact O-N 3.46Å; N120-K122 VanDerWaalsContact C-N 3.3Å; N120-K122 PolarHBondContact O-N 3.49Å; N120-R123 WeakPolarHBondContact O-CB 3.35Å; N120-R123 PolarHBondContact O-N 2.9Å; N120-R123 VanDerWaalsContact O-N 3.11Å; N120-V124 PolarHBondContact O-N 3.45Å; N120-F537 WeakPolarHBondContact ND2-CE2 3.48Å; N120-F537 VanDerWaalsContact ND2-CZ 3.26Å; N120-F537 WeakPolarHBondContact ND2-CZ 3.48Å; N120-F537 WeakPolarHBondContact OD1-CD2 3.42Å; N120-F537 VanDerWaalsContact OD1-CE2 3.22Å; N120-F537 WeakPolarHBondContact OD1-CE2 3.43Å |
| 121 | K | 91.2 | Very high | 91.9 | Very high | 50 Ų | 50 | 40.6 Ų | 40.6 | 22% | 0.217 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.2 | -43.5 | 171 | -162.8 | -175.2 | -177.2 | -164.6 | 0 | 112.5 | E80 H112 P118 V124 S125 | E80-K121 HydrophobicContact CG-CB 4.33Å; E80-K121 WeakPolarHBondContact OE1-CB 3.41Å; E80-K121 PolarHBondContact OE1-N 3.26Å; H112-K121 HydrophobicContact CB-CG 4.48Å; H112-K121 WeakPolarHBondContact CD2-CE 3.34Å; H112-K121 PolarHBondContact CD2-NZ 3.45Å; H112-K121 VanDerWaalsContact CG-CE 3.42Å; H112-K121 WeakPolarHBondContact NE2-CE 3.28Å; H112-K121 PolarHBondContact NE2-NZ 2.99Å; P118-K121 HydrophobicContact CB-CB 4.28Å; P118-K121 WeakPolarHBondContact O-CB 3.36Å; P118-K121 PolarHBondContact O-N 3.02Å; P118-K121 VanDerWaalsContact O-N 3.13Å; K121-V124 WeakPolarHBondContact O-CG2 3.41Å; K121-S125 VanDerWaalsContact O-CB 3.26Å; K121-S125 WeakPolarHBondContact O-CB 3.32Å; K121-S125 PolarHBondContact O-N 3.46Å; K121-S125 VanDerWaalsContact O-N 3.11Å; K121-S125 PolarHBondContact O-OG 3.16Å |
| 122 | K | 93.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 12% | 0.117 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -52.5 | 173.2 | -72 | 178.1 | 176.5 | 164.8 | 0 | 110.6 | L113 Q114 E115 S117 P118 L119 N120 V124 S125 V126 L177 | L113-K122 HydrophobicContact CD2-CB 4.41Å; Q114-K122 WeakPolarHBondContact O-CE 3.34Å; Q114-K122 PolarHBondContact O-NZ 3.49Å; E115-K122 PolarHBondContact O-NZ 3.31Å; S117-K122 WeakPolarHBondContact O-CE 3.47Å; S117-K122 PolarHBondContact O-NZ 2.77Å; P118-K122 PolarHBondContact O-N 3.25Å; L119-K122 WeakPolarHBondContact O-CB 3.41Å; L119-K122 PolarHBondContact O-N 3.27Å; N120-K122 VanDerWaalsContact C-N 3.3Å; N120-K122 PolarHBondContact O-N 3.49Å; K122-V124 PolarHBondContact O-N 2.9Å; K122-S125 PolarHBondContact O-N 2.9Å; K122-S125 VanDerWaalsContact O-N 3.16Å; K122-V126 WeakPolarHBondContact O-CG2 3.45Å; K122-V126 PolarHBondContact O-N 3.24Å; K122-L177 HydrophobicContact CB-CD1 4.21Å; K122-L177 HydrophobicContact CD-CD2 4.49Å |
| 123 | R | 93 | Very high | 92.3 | Very high | 40 Ų | 40 | 37.8 Ų | 37.8 | 15% | 0.151 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.9 | -50.3 | -179.2 | -72.5 | -179.1 | 63.7 | 179.8 | 1.5 | 113.4 | L119 N120 S125 V126 Y127 Q176 L177 F537 | L119-R123 HydrophobicContact CD1-CG 4.49Å; L119-R123 WeakPolarHBondContact O-CG 3.4Å; L119-R123 PolarHBondContact O-N 3.02Å; N120-R123 WeakPolarHBondContact O-CB 3.35Å; N120-R123 PolarHBondContact O-N 2.9Å; N120-R123 VanDerWaalsContact O-N 3.11Å; R123-S125 VanDerWaalsContact C-N 3.29Å; R123-S125 PolarHBondContact O-N 3.47Å; R123-V126 PolarHBondContact O-N 3.22Å; R123-Y127 PolarHBondContact O-N 3.42Å; R123-Q176 VanDerWaalsContact NH2-OE1 3.14Å; R123-L177 HydrophobicContact CG-CB 4.28Å; R123-L177 HydrophobicContact CG-CD1 4.02Å; R123-F537 PolarHBondContact NH2-O 3.08Å |
| 124 | V | 94.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.6 | -30.6 | 179.5 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | E80 L83 F84 N120 K121 K122 L128 F537 | E80-V124 HydrophobicContact CB-CG2 4.26Å; E80-V124 HydrophobicContact CG-CG2 4.43Å; L83-V124 HydrophobicContact CB-CB 4.28Å; L83-V124 HydrophobicContact CB-CG2 3.86Å; L83-V124 HydrophobicContact CD1-CG2 3.9Å; F84-V124 HydrophobicContact CB-CG1 4.2Å; N120-V124 PolarHBondContact O-N 3.45Å; K121-V124 WeakPolarHBondContact O-CG2 3.41Å; K122-V124 PolarHBondContact O-N 2.9Å; V124-L128 WeakPolarHBondContact O-CB 3.49Å; V124-L128 PolarHBondContact O-N 2.81Å; V124-F537 HydrophobicContact CG1-CD1 4Å; V124-F537 HydrophobicContact CG1-CE1 3.46Å; V124-F537 VanDerWaalsContact CG1-CE1 3.46Å; V124-F537 HydrophobicContact CG1-CZ 4.13Å |
| 125 | S | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -74.1 | -38.4 | 176.3 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | H112 K121 K122 R123 L128 L129 | H112-S125 VanDerWaalsContact CB-OG 3.29Å; H112-S125 WeakPolarHBondContact CB-OG 3.35Å; H112-S125 PolarHBondContact ND1-OG 3.49Å; K121-S125 VanDerWaalsContact O-CB 3.26Å; K121-S125 WeakPolarHBondContact O-CB 3.32Å; K121-S125 PolarHBondContact O-N 3.46Å; K121-S125 VanDerWaalsContact O-N 3.11Å; K121-S125 PolarHBondContact O-OG 3.16Å; K122-S125 PolarHBondContact O-N 2.9Å; K122-S125 VanDerWaalsContact O-N 3.16Å; R123-S125 VanDerWaalsContact C-N 3.29Å; R123-S125 PolarHBondContact O-N 3.47Å; S125-L128 PolarHBondContact O-N 3.26Å; S125-L129 VanDerWaalsContact O-CB 3.29Å; S125-L129 WeakPolarHBondContact O-CB 3.3Å; S125-L129 PolarHBondContact O-N 2.84Å |
| 126 | V | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 171.4 | 174.3 | 0 | 0 | 0 | 0 | 111 | L113 K122 R123 L129 F130 L152 L177 S180 V181 A184 | L113-V126 HydrophobicContact CD2-CG2 3.48Å; L113-V126 VanDerWaalsContact CD2-CG2 3.48Å; K122-V126 WeakPolarHBondContact O-CG2 3.45Å; K122-V126 PolarHBondContact O-N 3.24Å; R123-V126 PolarHBondContact O-N 3.22Å; V126-L129 PolarHBondContact O-N 3.33Å; V126-F130 WeakPolarHBondContact O-CB 3.45Å; V126-F130 PolarHBondContact O-N 3.4Å; V126-L152 HydrophobicContact CG1-CD2 4.39Å; V126-L152 HydrophobicContact CG2-CD2 4.34Å; V126-L177 HydrophobicContact CG2-CD1 4.02Å; V126-S180 VanDerWaalsContact CG1-C 3.46Å; V126-S180 WeakPolarHBondContact CG1-O 3.48Å; V126-V181 HydrophobicContact CG1-CG2 4.03Å; V126-V181 HydrophobicContact CG2-CG2 3.86Å; V126-A184 HydrophobicContact CG1-CB 4.01Å |
| 127 | Y | 97.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 27.6 Ų | 27.6 | 13% | 0.133 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 175.2 | 167.3 | -115.2 | 0 | 0 | 0 | 111.9 | F84 T88 E91 R123 L129 F130 V131 | F84-Y127 HydrophobicContact CD2-CD1 4.13Å; F84-Y127 HydrophobicContact CD2-CE1 4Å; F84-Y127 HydrophobicContact CE2-CE1 4.16Å; T88-Y127 WeakPolarHBondContact CA-OH 3.46Å; T88-Y127 HydrophobicContact CG2-CE1 4.16Å; T88-Y127 WeakPolarHBondContact CG2-OH 3.5Å; T88-Y127 PolarHBondContact N-OH 3.01Å; E91-Y127 PolarHBondContact OE2-OH 2.91Å; R123-Y127 PolarHBondContact O-N 3.42Å; Y127-L129 VanDerWaalsContact C-N 3.33Å; Y127-L129 PolarHBondContact O-N 2.98Å; Y127-F130 PolarHBondContact O-N 3.1Å; Y127-V131 HydrophobicContact CD2-CG2 4.03Å; Y127-V131 HydrophobicContact CE2-CG2 3.55Å; Y127-V131 WeakPolarHBondContact O-CG2 3.38Å; Y127-V131 PolarHBondContact O-N 3.31Å |
| 128 | L | 97.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.6 | -45.1 | 174.7 | 176.8 | 60.8 | 0 | 0 | 0 | 111.3 | L83 L86 I109 V124 S125 V131 L132 | L83-L128 HydrophobicContact CD2-CD2 3.94Å; L86-L128 HydrophobicContact CB-CD1 4.32Å; I109-L128 HydrophobicContact CD1-CD2 4.02Å; I109-L128 HydrophobicContact CD1-CG 4.09Å; I109-L128 HydrophobicContact CG1-CD2 4.42Å; V124-L128 WeakPolarHBondContact O-CB 3.49Å; V124-L128 PolarHBondContact O-N 2.81Å; S125-L128 PolarHBondContact O-N 3.26Å; L128-V131 PolarHBondContact O-N 3.38Å; L128-L132 HydrophobicContact CD1-CD1 4.01Å; L128-L132 HydrophobicContact CD1-CG 4.11Å; L128-L132 HydrophobicContact CG-CD1 3.99Å; L128-L132 HydrophobicContact CG-CG 4.47Å; L128-L132 VanDerWaalsContact O-CG 3.25Å; L128-L132 WeakPolarHBondContact O-CG 3.27Å; L128-L132 PolarHBondContact O-N 3.46Å |
| 129 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -48.7 | 177.5 | -176.7 | 55.8 | 0 | 0 | 0 | 111.9 | F106 I109 L113 S125 V126 Y127 V131 L132 V133 A143 C148 L152 | F106-L129 HydrophobicContact CD1-CD1 3.79Å; F106-L129 HydrophobicContact CE1-CD1 3.46Å; F106-L129 VanDerWaalsContact CE1-CD1 3.46Å; F106-L129 HydrophobicContact CZ-CD1 4.39Å; I109-L129 HydrophobicContact CG2-CB 4.01Å; I109-L129 HydrophobicContact CG2-CD1 4.33Å; I109-L129 HydrophobicContact CG2-CD2 3.99Å; I109-L129 HydrophobicContact CG2-CG 4.34Å; L113-L129 HydrophobicContact CD1-CD2 4.06Å; S125-L129 VanDerWaalsContact O-CB 3.29Å; S125-L129 WeakPolarHBondContact O-CB 3.3Å; S125-L129 PolarHBondContact O-N 2.84Å; V126-L129 PolarHBondContact O-N 3.33Å; Y127-L129 VanDerWaalsContact C-N 3.33Å; Y127-L129 PolarHBondContact O-N 2.98Å; L129-V131 VanDerWaalsContact C-N 3.34Å; L129-V131 PolarHBondContact O-N 3.04Å; L129-L132 PolarHBondContact O-N 3.22Å; L129-L132 VanDerWaalsContact O-N 3.11Å; L129-V133 HydrophobicContact CD1-CG1 4.05Å; L129-V133 WeakPolarHBondContact O-CG2 3.41Å; L129-V133 PolarHBondContact O-N 3.45Å; L129-A143 HydrophobicContact CD1-CB 4.36Å; L129-C148 HydrophobicContact CD1-CB 4.28Å; L129-C148 HydrophobicContact CD2-CB 3.95Å; L129-L152 HydrophobicContact CD2-CD1 3.64Å; L129-L152 HydrophobicContact CD2-CD2 4.1Å; L129-L152 HydrophobicContact CD2-CG 3.86Å; L129-L152 HydrophobicContact CG-CD1 4.36Å |
| 130 | F | 97.6 | Very high | 95.6 | Very high | 19 Ų | 19 | 25 Ų | 25 | 8% | 0.083 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -52.4 | -50.9 | 174.4 | 164.2 | -108.6 | 0 | 0 | 0 | 111.2 | V126 Y127 L132 V133 A134 S183 A184 W544 | V126-F130 WeakPolarHBondContact O-CB 3.45Å; V126-F130 PolarHBondContact O-N 3.4Å; Y127-F130 PolarHBondContact O-N 3.1Å; F130-L132 VanDerWaalsContact C-N 3.3Å; F130-L132 PolarHBondContact O-N 2.93Å; F130-V133 WeakPolarHBondContact O-CG2 2.99Å; F130-V133 PolarHBondContact O-N 3.42Å; F130-A134 HydrophobicContact CD2-CB 4.32Å; F130-A134 HydrophobicContact CE2-CB 4Å; F130-A134 HydrophobicContact CZ-CB 4.28Å; F130-A134 WeakPolarHBondContact O-CB 3.42Å; F130-A134 PolarHBondContact O-N 2.94Å; F130-S183 WeakPolarHBondContact CD2-O 3.39Å; F130-A184 HydrophobicContact CB-CB 3.98Å; F130-W544 HydrophobicContact CZ-CE3 4.39Å |
| 131 | V | 97.4 | Very high | 96 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 178.8 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | A90 E91 K97 Y127 L128 L129 | A90-V131 VanDerWaalsContact C-CG1 3.49Å; A90-V131 HydrophobicContact CB-CG1 3.6Å; E91-V131 HydrophobicContact CB-CG1 3.85Å; E91-V131 HydrophobicContact CB-CG2 4.06Å; E91-V131 HydrophobicContact CG-CG2 4.48Å; E91-V131 VanDerWaalsContact N-CG1 3.31Å; K97-V131 WeakPolarHBondContact CD-O 3.42Å; K97-V131 WeakPolarHBondContact CE-O 3.27Å; K97-V131 PolarHBondContact NZ-O 2.89Å; Y127-V131 HydrophobicContact CD2-CG2 4.03Å; Y127-V131 HydrophobicContact CE2-CG2 3.55Å; Y127-V131 WeakPolarHBondContact O-CG2 3.38Å; Y127-V131 PolarHBondContact O-N 3.31Å; L128-V131 PolarHBondContact O-N 3.38Å; L129-V131 VanDerWaalsContact C-N 3.34Å; L129-V131 PolarHBondContact O-N 3.04Å |
| 132 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.7 | -34.5 | -180 | -67.9 | 173.3 | 0 | 0 | 0 | 113.2 | A90 K97 L100 I105 F106 I109 L128 L129 F130 N136 | A90-L132 HydrophobicContact CB-CD2 4.42Å; K97-L132 HydrophobicContact CG-CD2 4.19Å; L100-L132 HydrophobicContact CB-CD2 3.6Å; I105-L132 HydrophobicContact CG2-CD1 4.3Å; F106-L132 HydrophobicContact CE2-CB 4.33Å; F106-L132 HydrophobicContact CE2-CD1 4Å; F106-L132 HydrophobicContact CZ-CB 3.81Å; F106-L132 HydrophobicContact CZ-CD1 4.18Å; I109-L132 HydrophobicContact CD1-CD1 3.95Å; L128-L132 HydrophobicContact CD1-CD1 4.01Å; L128-L132 HydrophobicContact CD1-CG 4.11Å; L128-L132 HydrophobicContact CG-CD1 3.99Å; L128-L132 HydrophobicContact CG-CG 4.47Å; L128-L132 VanDerWaalsContact O-CG 3.25Å; L128-L132 WeakPolarHBondContact O-CG 3.27Å; L128-L132 PolarHBondContact O-N 3.46Å; L129-L132 PolarHBondContact O-N 3.22Å; L129-L132 VanDerWaalsContact O-N 3.11Å; F130-L132 VanDerWaalsContact C-N 3.3Å; F130-L132 PolarHBondContact O-N 2.93Å; L132-N136 WeakPolarHBondContact O-CB 3.36Å; L132-N136 PolarHBondContact O-ND2 2.94Å |
| 133 | V | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -84.6 | -35.8 | 178.3 | -57.7 | 0 | 0 | 0 | 0 | 113.3 | F106 L129 F130 H135 N136 Q140 A143 | F106-V133 HydrophobicContact CE1-CG1 4.26Å; L129-V133 HydrophobicContact CD1-CG1 4.05Å; L129-V133 WeakPolarHBondContact O-CG2 3.41Å; L129-V133 PolarHBondContact O-N 3.45Å; F130-V133 WeakPolarHBondContact O-CG2 2.99Å; F130-V133 PolarHBondContact O-N 3.42Å; V133-H135 PolarHBondContact O-N 3.33Å; V133-N136 PolarHBondContact O-N 3.18Å; V133-N136 VanDerWaalsContact O-N 3.07Å; V133-Q140 HydrophobicContact CB-CG 4.27Å; V133-A143 HydrophobicContact CG1-CB 3.75Å |
| 134 | A | 95.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 124.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K97 F130 N136 W544 | K97-A134 PolarHBondContact NZ-O 3.41Å; F130-A134 HydrophobicContact CD2-CB 4.32Å; F130-A134 HydrophobicContact CE2-CB 4Å; F130-A134 HydrophobicContact CZ-CB 4.28Å; F130-A134 WeakPolarHBondContact O-CB 3.42Å; F130-A134 PolarHBondContact O-N 2.94Å; A134-N136 PolarHBondContact O-N 3.4Å; A134-W544 HydrophobicContact CB-CH2 4.32Å |
| 135 | H | 92.8 | Very high | 96.7 | Very high | 112 Ų | 112 | 27.6 Ų | 27.6 | 52% | 0.519 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 27 | -176.5 | -61.7 | -20.7 | 0 | 0 | 0 | 114.4 | V133 N191 W544 | V133-H135 PolarHBondContact O-N 3.33Å; H135-N191 WeakPolarHBondContact CA-O 3.5Å; H135-N191 PolarHBondContact N-O 3.33Å; H135-N191 PolarHBondContact ND1-O 3.4Å; H135-W544 AromaticContact CD2-CH2 3.73Å; H135-W544 AromaticContact CD2-CZ2 3.85Å; H135-W544 AromaticContact CE1-CH2 3.39Å; H135-W544 WeakPolarHBondContact CE1-CH2 3.36Å; H135-W544 AromaticContact ND1-CH2 3.94Å; H135-W544 AromaticContact NE2-CH2 3.25Å; H135-W544 WeakPolarHBondContact NE2-CH2 3.31Å; H135-W544 AromaticContact NE2-CZ2 3.45Å; H135-W544 WeakPolarHBondContact NE2-CZ2 3.29Å |
| 136 | N | 95.2 | Very high | 96.6 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 9% | 0.086 | 15% | 0.147 | C | C | . | . | trans | -144.3 | 100.6 | -172.7 | -178.1 | 12.5 | 0 | 0 | 0 | 113.5 | K97 C101 L132 V133 A134 L138 G139 Q140 | K97-N136 HydrophobicContact CD-CB 4.19Å; C101-N136 PolarHBondContact SG-ND2 3.39Å; L132-N136 WeakPolarHBondContact O-CB 3.36Å; L132-N136 PolarHBondContact O-ND2 2.94Å; V133-N136 PolarHBondContact O-N 3.18Å; V133-N136 VanDerWaalsContact O-N 3.07Å; A134-N136 PolarHBondContact O-N 3.4Å; N136-L138 VanDerWaalsContact C-N 3.26Å; N136-L138 PolarHBondContact O-N 2.87Å; N136-L138 PolarHBondContact OD1-N 3.46Å; N136-G139 PolarHBondContact ND2-N 3.03Å; N136-G139 PolarHBondContact O-N 2.63Å; N136-G139 VanDerWaalsContact O-N 3.1Å; N136-G139 PolarHBondContact OD1-N 3.46Å; N136-Q140 WeakPolarHBondContact O-CG 3.5Å; N136-Q140 PolarHBondContact O-N 3.33Å | ||
| 137 | K | 95.8 | Very high | 96.5 | Very high | 90 Ų | 90 | 30 Ų | 30 | 39% | 0.391 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.1 | -34.9 | 179.5 | -168.2 | 59.2 | 172.7 | 179 | 0 | 113.1 | T141 P192 Q193 N194 | K137-T141 PolarHBondContact O-N 2.89Å; K137-T141 PolarHBondContact O-OG1 3.03Å; K137-T141 VanDerWaalsContact O-OG1 3.08Å; K137-P192 HydrophobicContact CB-CG 3.84Å; K137-P192 HydrophobicContact CD-CG 4.17Å; K137-Q193 PolarHBondContact NZ-O 3.02Å; K137-N194 PolarHBondContact NZ-OD1 3.4Å |
| 138 | L | 96.4 | Very high | 96.5 | Very high | 87 Ų | 87 | 28.3 Ų | 28.3 | 46% | 0.455 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.2 | -44.3 | 176.8 | 177 | 62.1 | 0 | 0 | 0 | 110.9 | C101 N136 T141 L142 | C101-L138 HydrophobicContact CB-CD2 3.72Å; C101-L138 HydrophobicContact CB-CG 4.01Å; N136-L138 VanDerWaalsContact C-N 3.26Å; N136-L138 PolarHBondContact O-N 2.87Å; N136-L138 PolarHBondContact OD1-N 3.46Å; L138-T141 PolarHBondContact O-N 3.14Å; L138-L142 HydrophobicContact CD1-CD1 4.21Å; L138-L142 HydrophobicContact CD1-CG 4.32Å; L138-L142 HydrophobicContact CG-CD1 4.1Å; L138-L142 WeakPolarHBondContact O-CB 3.4Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 3.17Å |
| 139 | G | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F106 N136 L142 A143 | F106-G139 WeakPolarHBondContact CE1-O 3.17Å; N136-G139 PolarHBondContact ND2-N 3.03Å; N136-G139 PolarHBondContact O-N 2.63Å; N136-G139 VanDerWaalsContact O-N 3.1Å; N136-G139 PolarHBondContact OD1-N 3.46Å; G139-L142 PolarHBondContact O-N 2.94Å; G139-A143 PolarHBondContact O-N 3.25Å |
| 140 | Q | 97.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.1 | -49.5 | 175.1 | -67.2 | 175.8 | -21.9 | 0 | 0 | 112.3 | V133 N136 L142 A143 Q144 G187 S188 N190 P192 | V133-Q140 HydrophobicContact CB-CG 4.27Å; N136-Q140 WeakPolarHBondContact O-CG 3.5Å; N136-Q140 PolarHBondContact O-N 3.33Å; Q140-L142 VanDerWaalsContact C-N 3.3Å; Q140-L142 PolarHBondContact O-N 2.86Å; Q140-A143 PolarHBondContact O-N 2.89Å; Q140-Q144 PolarHBondContact O-N 3.3Å; Q140-Q144 VanDerWaalsContact O-N 3.1Å; Q140-G187 WeakPolarHBondContact CG-O 3.37Å; Q140-G187 PolarHBondContact NE2-O 3.29Å; Q140-S188 WeakPolarHBondContact CG-O 3.49Å; Q140-N190 PolarHBondContact NE2-O 2.72Å; Q140-P192 PolarHBondContact NE2-O 3.35Å; Q140-P192 PolarHBondContact OE1-O 2.7Å |
| 141 | T | 96.8 | Very high | 96.2 | Very high | 59 Ų | 59 | 32.2 Ų | 32.2 | 36% | 0.362 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.4 | -37.4 | 177.4 | -59 | 0 | 0 | 0 | 0 | 111.9 | K137 L138 T145 | K137-T141 PolarHBondContact O-N 2.89Å; K137-T141 PolarHBondContact O-OG1 3.03Å; K137-T141 VanDerWaalsContact O-OG1 3.08Å; L138-T141 PolarHBondContact O-N 3.14Å; T141-T145 HydrophobicContact CG2-CG2 4.29Å; T141-T145 WeakPolarHBondContact O-CB 3.39Å; T141-T145 VanDerWaalsContact O-CG2 3.32Å; T141-T145 WeakPolarHBondContact O-CG2 3.43Å; T141-T145 PolarHBondContact O-N 2.74Å; T141-T145 PolarHBondContact O-OG1 3.29Å |
| 142 | L | 97.9 | Very high | 96.2 | Very high | 19 Ų | 19 | 32 Ų | 32 | 10% | 0.099 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.1 | -42.8 | 175.3 | -73 | 172.2 | 0 | 0 | 0 | 111.9 | C101 K103 F106 L138 G139 Q140 Q144 T145 T146 | C101-L142 HydrophobicContact CB-CD1 3.93Å; C101-L142 WeakPolarHBondContact O-CD1 3.22Å; K103-L142 HydrophobicContact CB-CD2 4.16Å; F106-L142 HydrophobicContact CD1-CB 3.98Å; F106-L142 HydrophobicContact CD2-CB 3.81Å; F106-L142 HydrophobicContact CD2-CD1 4.02Å; F106-L142 HydrophobicContact CE1-CB 3.98Å; F106-L142 HydrophobicContact CE2-CB 3.82Å; F106-L142 HydrophobicContact CE2-CD1 3.82Å; F106-L142 HydrophobicContact CG-CB 3.88Å; F106-L142 HydrophobicContact CZ-CB 3.9Å; L138-L142 HydrophobicContact CD1-CD1 4.21Å; L138-L142 HydrophobicContact CD1-CG 4.32Å; L138-L142 HydrophobicContact CG-CD1 4.1Å; L138-L142 WeakPolarHBondContact O-CB 3.4Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.48Å; L138-L142 PolarHBondContact O-N 3.17Å; G139-L142 PolarHBondContact O-N 2.94Å; Q140-L142 VanDerWaalsContact C-N 3.3Å; Q140-L142 PolarHBondContact O-N 2.86Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-Q144 PolarHBondContact O-N 2.8Å; L142-T145 PolarHBondContact O-N 3.45Å; L142-T146 WeakPolarHBondContact O-CB 3.43Å; L142-T146 WeakPolarHBondContact O-CG2 3.48Å; L142-T146 PolarHBondContact O-N 3.22Å; L142-T146 PolarHBondContact O-OG1 2.99Å |
| 143 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.2 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F106 L129 V133 G139 Q140 T146 G147 C148 L149 | F106-A143 HydrophobicContact CD1-CB 4.19Å; F106-A143 HydrophobicContact CE1-CB 3.87Å; L129-A143 HydrophobicContact CD1-CB 4.36Å; V133-A143 HydrophobicContact CG1-CB 3.75Å; G139-A143 PolarHBondContact O-N 3.25Å; Q140-A143 PolarHBondContact O-N 2.89Å; A143-T146 PolarHBondContact O-OG1 3.42Å; A143-G147 PolarHBondContact O-N 3.49Å; A143-C148 HydrophobicContact CB-CB 4.15Å; A143-C148 WeakPolarHBondContact O-CB 3.27Å; A143-C148 PolarHBondContact O-N 3.45Å; A143-L149 PolarHBondContact O-N 2.79Å |
| 144 | Q | 95.3 | Very high | 95.9 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 22% | 0.224 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.2 | -51.1 | 177.5 | -169.8 | -165.1 | -21.4 | 0 | 0 | 112.1 | Q140 L142 T146 G147 L149 I200 | Q140-Q144 PolarHBondContact O-N 3.3Å; Q140-Q144 VanDerWaalsContact O-N 3.1Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-Q144 PolarHBondContact O-N 2.8Å; Q144-T146 PolarHBondContact O-N 3.25Å; Q144-G147 PolarHBondContact O-N 3.38Å; Q144-L149 HydrophobicContact CG-CD2 4.48Å; Q144-I200 HydrophobicContact CG-CD1 3.98Å |
| 145 | T | 95.8 | Very high | 95.8 | Very high | 81 Ų | 81 | 37 Ų | 37 | 50% | 0.497 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -73.5 | 2.8 | -175.2 | 56.7 | 0 | 0 | 0 | 0 | 115.1 | T141 L142 | T141-T145 HydrophobicContact CG2-CG2 4.29Å; T141-T145 WeakPolarHBondContact O-CB 3.39Å; T141-T145 VanDerWaalsContact O-CG2 3.32Å; T141-T145 WeakPolarHBondContact O-CG2 3.43Å; T141-T145 PolarHBondContact O-N 2.74Å; T141-T145 PolarHBondContact O-OG1 3.29Å; L142-T145 PolarHBondContact O-N 3.45Å |
| 146 | T | 96.4 | Very high | 95.9 | Very high | 25 Ų | 25 | 31.6 Ų | 31.6 | 15% | 0.153 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | 0 | 176.9 | 56 | 0 | 0 | 0 | 0 | 114.1 | K103 F106 I107 L142 A143 Q144 C148 | K103-T146 HydrophobicContact CG-CG2 3.71Å; F106-T146 HydrophobicContact CB-CG2 3.87Å; F106-T146 WeakPolarHBondContact CB-OG1 3.39Å; I107-T146 HydrophobicContact CG1-CG2 3.94Å; L142-T146 WeakPolarHBondContact O-CB 3.43Å; L142-T146 WeakPolarHBondContact O-CG2 3.48Å; L142-T146 PolarHBondContact O-N 3.22Å; L142-T146 PolarHBondContact O-OG1 2.99Å; A143-T146 PolarHBondContact O-OG1 3.42Å; Q144-T146 PolarHBondContact O-N 3.25Å; T146-C148 PolarHBondContact OG1-SG 3.46Å; T146-C148 VanDerWaalsContact OG1-SG 3.4Å |
| 147 | G | 94.4 | Very high | 95.7 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 26% | 0.258 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | 3.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A143 Q144 L149 E150 I151 | A143-G147 PolarHBondContact O-N 3.49Å; Q144-G147 PolarHBondContact O-N 3.38Å; G147-L149 VanDerWaalsContact C-N 3.32Å; G147-L149 PolarHBondContact O-N 2.9Å; G147-E150 VanDerWaalsContact C-OE2 3.26Å; G147-E150 WeakPolarHBondContact CA-OE2 3.49Å; G147-E150 PolarHBondContact O-N 3.28Å; G147-I151 WeakPolarHBondContact O-CD1 3.35Å; G147-I151 VanDerWaalsContact O-CG1 3.28Å; G147-I151 WeakPolarHBondContact O-CG1 3.4Å; G147-I151 PolarHBondContact O-N 2.75Å; G147-I151 VanDerWaalsContact O-N 3.1Å |
| 148 | C | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.5 | -32.7 | -179.2 | -66 | 0 | 0 | 0 | 0 | 112.5 | F106 L129 A143 T146 L152 | F106-C148 PolarHBondContact O-SG 3.03Å; L129-C148 HydrophobicContact CD1-CB 4.28Å; L129-C148 HydrophobicContact CD2-CB 3.95Å; A143-C148 HydrophobicContact CB-CB 4.15Å; A143-C148 WeakPolarHBondContact O-CB 3.27Å; A143-C148 PolarHBondContact O-N 3.45Å; T146-C148 PolarHBondContact OG1-SG 3.46Å; T146-C148 VanDerWaalsContact OG1-SG 3.4Å; C148-L152 WeakPolarHBondContact O-CB 3.44Å; C148-L152 VanDerWaalsContact O-CG 3.28Å; C148-L152 WeakPolarHBondContact O-CG 3.36Å; C148-L152 PolarHBondContact O-N 2.93Å |
| 149 | L | 96 | Very high | 94.9 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.4 | -42.3 | 179.4 | 178.3 | 57.9 | 0 | 0 | 0 | 110.9 | A143 Q144 G147 L152 M153 L185 V189 I200 | A143-L149 PolarHBondContact O-N 2.79Å; Q144-L149 HydrophobicContact CG-CD2 4.48Å; G147-L149 VanDerWaalsContact C-N 3.32Å; G147-L149 PolarHBondContact O-N 2.9Å; L149-L152 PolarHBondContact O-N 3.39Å; L149-M153 VanDerWaalsContact O-CG 3.29Å; L149-M153 WeakPolarHBondContact O-CG 3.4Å; L149-M153 PolarHBondContact O-N 3.34Å; L149-L185 HydrophobicContact CD1-CD2 3.63Å; L149-V189 HydrophobicContact CD1-CG1 4.48Å; L149-I200 HydrophobicContact CD2-CB 4.07Å; L149-I200 HydrophobicContact CD2-CD1 3.83Å; L149-I200 HydrophobicContact CD2-CG2 4Å; L149-I200 HydrophobicContact CG-CG2 4.13Å |
| 150 | E | 95.1 | Very high | 94.3 | Very high | 72 Ų | 72 | 32.4 Ų | 32.4 | 34% | 0.336 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.9 | -47.2 | 176.3 | -65.2 | 75 | -173.6 | 0 | 0 | 110.6 | G147 L152 M153 D154 | G147-E150 VanDerWaalsContact C-OE2 3.26Å; G147-E150 WeakPolarHBondContact CA-OE2 3.49Å; G147-E150 PolarHBondContact O-N 3.28Å; E150-L152 PolarHBondContact O-N 2.7Å; E150-M153 WeakPolarHBondContact O-CB 3.38Å; E150-M153 PolarHBondContact O-N 3.01Å; E150-M153 VanDerWaalsContact O-N 3.1Å; E150-D154 PolarHBondContact O-N 3.4Å |
| 151 | I | 95.8 | Very high | 93.2 | Very high | 32 Ų | 32 | 33.3 Ų | 33.3 | 16% | 0.164 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -39.8 | 175.8 | -65.2 | 162.3 | 0 | 0 | 0 | 111.6 | A110 L113 G147 M153 D154 L155 | A110-I151 HydrophobicContact CB-CD1 3.59Å; L113-I151 HydrophobicContact CB-CG2 3.51Å; L113-I151 HydrophobicContact CD1-CG2 4.21Å; G147-I151 WeakPolarHBondContact O-CD1 3.35Å; G147-I151 VanDerWaalsContact O-CG1 3.28Å; G147-I151 WeakPolarHBondContact O-CG1 3.4Å; G147-I151 PolarHBondContact O-N 2.75Å; G147-I151 VanDerWaalsContact O-N 3.1Å; I151-M153 VanDerWaalsContact C-N 3.32Å; I151-M153 PolarHBondContact O-N 2.73Å; I151-D154 PolarHBondContact O-N 3.13Å; I151-L155 HydrophobicContact CG2-CD1 4.18Å; I151-L155 HydrophobicContact CG2-CG 4.48Å; I151-L155 WeakPolarHBondContact O-CB 3.34Å; I151-L155 WeakPolarHBondContact O-CG 3.5Å; I151-L155 PolarHBondContact O-N 3.41Å |
| 152 | L | 96.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 173.2 | -76.9 | 175.5 | 0 | 0 | 0 | 111.7 | V126 L129 C148 L149 E150 F156 V181 A184 L185 | V126-L152 HydrophobicContact CG1-CD2 4.39Å; V126-L152 HydrophobicContact CG2-CD2 4.34Å; L129-L152 HydrophobicContact CD2-CD1 3.64Å; L129-L152 HydrophobicContact CD2-CD2 4.1Å; L129-L152 HydrophobicContact CD2-CG 3.86Å; L129-L152 HydrophobicContact CG-CD1 4.36Å; C148-L152 WeakPolarHBondContact O-CB 3.44Å; C148-L152 VanDerWaalsContact O-CG 3.28Å; C148-L152 WeakPolarHBondContact O-CG 3.36Å; C148-L152 PolarHBondContact O-N 2.93Å; L149-L152 PolarHBondContact O-N 3.39Å; E150-L152 PolarHBondContact O-N 2.7Å; L152-F156 VanDerWaalsContact O-CB 3.26Å; L152-F156 WeakPolarHBondContact O-CB 3.18Å; L152-F156 PolarHBondContact O-N 3.36Å; L152-V181 HydrophobicContact CB-CG1 4.42Å; L152-V181 HydrophobicContact CD2-CB 4.43Å; L152-V181 HydrophobicContact CD2-CG1 4.03Å; L152-V181 HydrophobicContact CD2-CG2 4.28Å; L152-V181 WeakPolarHBondContact O-CG1 3.34Å; L152-A184 HydrophobicContact CD1-CB 3.69Å; L152-A184 HydrophobicContact CD2-CB 3.83Å; L152-A184 HydrophobicContact CG-CB 4.44Å; L152-L185 HydrophobicContact CB-CD2 3.48Å; L152-L185 VanDerWaalsContact CB-CD2 3.48Å; L152-L185 HydrophobicContact CB-CG 3.95Å; L152-L185 HydrophobicContact CD1-CD2 4.27Å |
| 153 | M | 95.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -39.7 | 176.4 | -74.8 | -71.5 | -70.3 | 0 | 0 | 112 | L149 E150 I151 F156 R157 L185 C201 A204 F229 | L149-M153 VanDerWaalsContact O-CG 3.29Å; L149-M153 WeakPolarHBondContact O-CG 3.4Å; L149-M153 PolarHBondContact O-N 3.34Å; E150-M153 WeakPolarHBondContact O-CB 3.38Å; E150-M153 PolarHBondContact O-N 3.01Å; E150-M153 VanDerWaalsContact O-N 3.1Å; I151-M153 VanDerWaalsContact C-N 3.32Å; I151-M153 PolarHBondContact O-N 2.73Å; M153-F156 PolarHBondContact O-N 3.5Å; M153-R157 WeakPolarHBondContact O-CG 3.37Å; M153-R157 PolarHBondContact O-N 3.37Å; M153-R157 VanDerWaalsContact O-N 3.12Å; M153-L185 HydrophobicContact CG-CD2 3.83Å; M153-L185 HydrophobicContact SD-CD1 3.94Å; M153-L185 HydrophobicContact SD-CD2 3.87Å; M153-C201 HydrophobicContact CE-CB 4.44Å; M153-C201 HydrophobicContact SD-CB 4.25Å; M153-A204 HydrophobicContact CE-CB 3.48Å; M153-A204 VanDerWaalsContact CE-CB 3.48Å; M153-A204 HydrophobicContact SD-CB 4.34Å; M153-F229 HydrophobicContact SD-CE2 4.34Å; M153-F229 HydrophobicContact SD-CZ 4.25Å |
| 154 | D | 93.6 | Very high | 87.4 | Confident | 90 Ų | 90 | 43.9 Ų | 43.9 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.4 | -38.4 | 177.8 | -68.4 | -23.3 | 0 | 0 | 0 | 112.4 | E150 I151 F156 R157 S158 | E150-D154 PolarHBondContact O-N 3.4Å; I151-D154 PolarHBondContact O-N 3.13Å; D154-F156 VanDerWaalsContact C-N 3.34Å; D154-F156 PolarHBondContact O-N 2.94Å; D154-R157 PolarHBondContact O-N 3.24Å; D154-R157 IonicContact OD1-CZ 3.21Å; D154-R157 IonicContact OD1-NH1 2.91Å; D154-R157 PolarHBondContact OD1-NH1 3.12Å; D154-S158 WeakPolarHBondContact O-CB 3.45Å; D154-S158 PolarHBondContact O-N 2.89Å; D154-S158 PolarHBondContact O-OG 3.5Å |
| 155 | L | 93.8 | Very high | 85.3 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 168.8 | -73.1 | 173.6 | 0 | 0 | 0 | 111.7 | L113 I151 R157 S158 T159 V181 | L113-L155 HydrophobicContact CB-CD1 4.14Å; L113-L155 HydrophobicContact CD2-CD1 4.13Å; L113-L155 HydrophobicContact CG-CD1 4.49Å; I151-L155 HydrophobicContact CG2-CD1 4.18Å; I151-L155 HydrophobicContact CG2-CG 4.48Å; I151-L155 WeakPolarHBondContact O-CB 3.34Å; I151-L155 WeakPolarHBondContact O-CG 3.5Å; I151-L155 PolarHBondContact O-N 3.41Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 2.87Å; L155-S158 WeakPolarHBondContact CA-OG 3.38Å; L155-S158 PolarHBondContact O-N 3.49Å; L155-S158 PolarHBondContact O-OG 3.3Å; L155-T159 HydrophobicContact CD2-CG2 4.32Å; L155-T159 WeakPolarHBondContact O-CB 3.47Å; L155-T159 WeakPolarHBondContact O-CG2 3.44Å; L155-T159 PolarHBondContact O-N 3.32Å; L155-T159 PolarHBondContact O-OG1 3.16Å; L155-V181 HydrophobicContact CB-CG1 4.06Å; L155-V181 HydrophobicContact CB-CG2 4.08Å; L155-V181 HydrophobicContact CD1-CG2 4.31Å |
| 156 | F | 93.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 179.8 | -177.8 | -116.7 | 0 | 0 | 0 | 112.4 | L152 M153 D154 W178 V181 L185 A204 V208 W211 F229 | L152-F156 VanDerWaalsContact O-CB 3.26Å; L152-F156 WeakPolarHBondContact O-CB 3.18Å; L152-F156 PolarHBondContact O-N 3.36Å; M153-F156 PolarHBondContact O-N 3.5Å; D154-F156 VanDerWaalsContact C-N 3.34Å; D154-F156 PolarHBondContact O-N 2.94Å; F156-W178 AromaticContact CD2-CE2 3.8Å; F156-W178 HydrophobicContact CD2-CZ2 4.16Å; F156-W178 AromaticContact CD2-NE1 3.3Å; F156-W178 VanDerWaalsContact CD2-NE1 3.3Å; F156-W178 AromaticContact CE2-CE2 3.58Å; F156-W178 HydrophobicContact CE2-CH2 4.43Å; F156-W178 AromaticContact CE2-CZ2 3.44Å; F156-W178 HydrophobicContact CE2-CZ2 3.44Å; F156-W178 VanDerWaalsContact CE2-CZ2 3.44Å; F156-W178 AromaticContact CE2-NE1 3.54Å; F156-W178 HydrophobicContact CZ-CZ2 4.07Å; F156-W178 VanDerWaalsContact O-CD1 3.3Å; F156-W178 PolarHBondContact O-NE1 3.37Å; F156-V181 HydrophobicContact CB-CG1 3.82Å; F156-L185 HydrophobicContact CB-CD1 3.59Å; F156-L185 HydrophobicContact CD1-CD1 3.96Å; F156-L185 HydrophobicContact CD2-CD1 4.02Å; F156-L185 HydrophobicContact CG-CD1 3.61Å; F156-A204 HydrophobicContact CD1-CB 4.3Å; F156-A204 HydrophobicContact CE1-CB 4.21Å; F156-V208 HydrophobicContact CE1-CG2 3.96Å; F156-V208 HydrophobicContact CZ-CG2 4.35Å; F156-W211 HydrophobicContact CD1-CH2 4.16Å; F156-W211 HydrophobicContact CD1-CZ3 4.23Å; F156-W211 HydrophobicContact CE1-CH2 4.03Å; F156-W211 AromaticContact CE1-CZ3 3.63Å; F156-W211 HydrophobicContact CE1-CZ3 3.63Å; F156-W211 HydrophobicContact CE2-CZ3 4.28Å; F156-W211 HydrophobicContact CZ-CH2 4.33Å; F156-W211 AromaticContact CZ-CZ3 3.67Å; F156-W211 HydrophobicContact CZ-CZ3 3.67Å; F156-W211 WeakPolarHBondContact O-CH2 3.41Å; F156-F229 AromaticContact CE1-CD1 3.94Å; F156-F229 HydrophobicContact CE1-CD1 3.94Å; F156-F229 HydrophobicContact CE1-CD2 4.31Å; F156-F229 AromaticContact CE1-CE1 3.93Å; F156-F229 HydrophobicContact CE1-CE1 3.93Å; F156-F229 HydrophobicContact CE1-CE2 4.3Å; F156-F229 HydrophobicContact CE1-CG 4.14Å; F156-F229 HydrophobicContact CE1-CZ 4.11Å; F156-F229 HydrophobicContact CZ-CB 4.23Å; F156-F229 AromaticContact CZ-CD1 3.93Å; F156-F229 HydrophobicContact CZ-CD1 3.93Å; F156-F229 HydrophobicContact CZ-CD2 4.21Å; F156-F229 HydrophobicContact CZ-CE1 4.39Å; F156-F229 AromaticContact CZ-CG 3.83Å; F156-F229 HydrophobicContact CZ-CG 3.83Å |
| 157 | R | 91.5 | Very high | 81.5 | Confident | 78 Ų | 78 | 52 Ų | 52 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.2 | -44.2 | 174.8 | -66.7 | 174 | -173.7 | 115 | -1.4 | 112.7 | M153 D154 L155 A203 I207 | M153-R157 WeakPolarHBondContact O-CG 3.37Å; M153-R157 PolarHBondContact O-N 3.37Å; M153-R157 VanDerWaalsContact O-N 3.12Å; D154-R157 PolarHBondContact O-N 3.24Å; D154-R157 IonicContact OD1-CZ 3.21Å; D154-R157 IonicContact OD1-NH1 2.91Å; D154-R157 PolarHBondContact OD1-NH1 3.12Å; L155-R157 VanDerWaalsContact C-N 3.32Å; L155-R157 PolarHBondContact O-N 2.87Å; R157-A203 VanDerWaalsContact NH2-C 3.31Å; R157-A203 VanDerWaalsContact NH2-CB 3.32Å; R157-A203 PolarHBondContact NH2-O 3.17Å; R157-I207 HydrophobicContact CB-CD1 4.42Å; R157-I207 HydrophobicContact CG-CG2 4.3Å |
| 158 | S | 88.3 | Confident | 80 | Confident | 89 Ų | 89 | 58.2 Ų | 58.2 | 62% | 0.622 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -84.2 | -24.9 | -170.5 | 55 | 0 | 0 | 0 | 0 | 114.9 | D154 L155 | D154-S158 WeakPolarHBondContact O-CB 3.45Å; D154-S158 PolarHBondContact O-N 2.89Å; D154-S158 PolarHBondContact O-OG 3.5Å; L155-S158 WeakPolarHBondContact CA-OG 3.38Å; L155-S158 PolarHBondContact O-N 3.49Å; L155-S158 PolarHBondContact O-OG 3.3Å |
| 159 | T | 86.7 | Confident | 78.3 | Confident | 18 Ų | 18 | 67.6 Ų | 67.6 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -100.3 | 8.2 | -175.1 | 63.4 | 0 | 0 | 0 | 0 | 114.6 | L155 L177 | L155-T159 HydrophobicContact CD2-CG2 4.32Å; L155-T159 WeakPolarHBondContact O-CB 3.47Å; L155-T159 WeakPolarHBondContact O-CG2 3.44Å; L155-T159 PolarHBondContact O-N 3.32Å; L155-T159 PolarHBondContact O-OG1 3.16Å; T159-L177 HydrophobicContact CG2-CD2 4Å |
| 160 | F | 85.6 | Confident | 76.9 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | trans | -59 | 133.4 | -179.5 | -171.5 | -110.2 | 0 | 0 | 0 | 111.6 | F162 W178 W211 I226 | F160-F162 HydrophobicContact CD1-CB 3.84Å; F160-F162 AromaticContact CD1-CD2 3.64Å; F160-F162 HydrophobicContact CD1-CD2 3.64Å; F160-F162 HydrophobicContact CD1-CG 4.11Å; F160-F162 HydrophobicContact CE1-CB 3.82Å; F160-F162 AromaticContact CE1-CD2 3.01Å; F160-F162 HydrophobicContact CE1-CD2 3.01Å; F160-F162 AromaticContact CE1-CE2 3.64Å; F160-F162 HydrophobicContact CE1-CE2 3.64Å; F160-F162 AromaticContact CE1-CG 3.6Å; F160-F162 HydrophobicContact CE1-CG 3.6Å; F160-F162 HydrophobicContact CE2-CD2 4.42Å; F160-F162 AromaticContact CZ-CD2 3.46Å; F160-F162 HydrophobicContact CZ-CD2 3.46Å; F160-F162 VanDerWaalsContact CZ-CD2 3.46Å; F160-F162 AromaticContact CZ-CE2 3.6Å; F160-F162 HydrophobicContact CZ-CE2 3.6Å; F160-F162 HydrophobicContact CZ-CG 4.41Å; F160-F162 PolarHBondContact O-N 3.05Å; F160-W178 HydrophobicContact CD2-CD2 4.27Å; F160-W178 AromaticContact CD2-CE2 3.53Å; F160-W178 HydrophobicContact CD2-CH2 4.24Å; F160-W178 AromaticContact CD2-CZ2 3.52Å; F160-W178 HydrophobicContact CD2-CZ2 3.52Å; F160-W178 AromaticContact CD2-NE1 3.65Å; F160-W178 HydrophobicContact CE2-CH2 4Å; F160-W178 AromaticContact CE2-CZ2 3.66Å; F160-W178 HydrophobicContact CE2-CZ2 3.66Å; F160-W211 HydrophobicContact CB-CH2 4.18Å; F160-W211 HydrophobicContact CB-CZ2 3.57Å; F160-W211 AromaticContact CD1-CD1 3.54Å; F160-W211 AromaticContact CD1-CD2 3.97Å; F160-W211 HydrophobicContact CD1-CD2 3.97Å; F160-W211 AromaticContact CD1-CE2 3.46Å; F160-W211 VanDerWaalsContact CD1-CE2 3.46Å; F160-W211 HydrophobicContact CD1-CG 4Å; F160-W211 HydrophobicContact CD1-CZ2 4.03Å; F160-W211 AromaticContact CD1-NE1 3.18Å; F160-W211 AromaticContact CD2-CD2 3.63Å; F160-W211 HydrophobicContact CD2-CD2 3.63Å; F160-W211 AromaticContact CD2-CE2 3.55Å; F160-W211 AromaticContact CD2-CE3 3.77Å; F160-W211 HydrophobicContact CD2-CE3 3.77Å; F160-W211 HydrophobicContact CD2-CG 4.29Å; F160-W211 AromaticContact CD2-CH2 3.81Å; F160-W211 HydrophobicContact CD2-CH2 3.81Å; F160-W211 AromaticContact CD2-CZ2 3.65Å; F160-W211 HydrophobicContact CD2-CZ2 3.65Å; F160-W211 AromaticContact CD2-CZ3 3.87Å; F160-W211 HydrophobicContact CD2-CZ3 3.87Å; F160-W211 HydrophobicContact CE1-CB 4.03Å; F160-W211 AromaticContact CE1-CD1 3.16Å; F160-W211 AromaticContact CE1-CD2 3.76Å; F160-W211 HydrophobicContact CE1-CD2 3.76Å; F160-W211 AromaticContact CE1-CE2 3.74Å; F160-W211 AromaticContact CE1-CG 3.4Å; F160-W211 HydrophobicContact CE1-CG 3.4Å; F160-W211 AromaticContact CE1-NE1 3.37Å; F160-W211 HydrophobicContact CE2-CB 4.26Å; F160-W211 AromaticContact CE2-CD2 3.48Å; F160-W211 HydrophobicContact CE2-CD2 3.48Å; F160-W211 VanDerWaalsContact CE2-CD2 3.48Å; F160-W211 AromaticContact CE2-CE2 3.88Å; F160-W211 AromaticContact CE2-CE3 3.62Å; F160-W211 HydrophobicContact CE2-CE3 3.62Å; F160-W211 AromaticContact CE2-CG 3.8Å; F160-W211 HydrophobicContact CE2-CG 3.8Å; F160-W211 HydrophobicContact CE2-CH2 4.5Å; F160-W211 HydrophobicContact CE2-CZ2 4.38Å; F160-W211 HydrophobicContact CE2-CZ3 4.14Å; F160-W211 AromaticContact CG-CD2 3.91Å; F160-W211 HydrophobicContact CG-CD2 3.91Å; F160-W211 AromaticContact CG-CE2 3.36Å; F160-W211 HydrophobicContact CG-CE3 4.45Å; F160-W211 HydrophobicContact CG-CG 4.42Å; F160-W211 HydrophobicContact CG-CH2 4.09Å; F160-W211 AromaticContact CG-CZ2 3.47Å; F160-W211 HydrophobicContact CG-CZ2 3.47Å; F160-W211 VanDerWaalsContact CG-CZ2 3.47Å; F160-W211 AromaticContact CG-NE1 3.62Å; F160-W211 HydrophobicContact CZ-CB 3.62Å; F160-W211 AromaticContact CZ-CD1 3.64Å; F160-W211 AromaticContact CZ-CD2 3.55Å; F160-W211 HydrophobicContact CZ-CD2 3.55Å; F160-W211 AromaticContact CZ-CE2 3.98Å; F160-W211 HydrophobicContact CZ-CE3 4.12Å; F160-W211 AromaticContact CZ-CG 3.32Å; F160-W211 HydrophobicContact CZ-CG 3.32Å; F160-W211 AromaticContact CZ-NE1 4Å; F160-I226 HydrophobicContact CE2-CD1 4.11Å; F160-I226 HydrophobicContact CZ-CD1 4.31Å | ||
| 161 | P | 75.1 | Confident | 75.6 | Confident | 21 Ų | 21 | 68.4 Ų | 68.4 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -75.6 | 22.4 | -165.6 | 32.9 | -40.5 | 0 | 0 | 0 | 115.9 | V171 Y175 T222 | P161-V171 HydrophobicContact CB-CG1 4.33Å; P161-Y175 HydrophobicContact CB-CD2 4.49Å; P161-Y175 HydrophobicContact CG-CD2 4.06Å; P161-T222 HydrophobicContact CG-CG2 3.98Å |
| 162 | F | 65.8 | Low | 74.6 | Confident | 101 Ų | 101 | 69.7 Ų | 69.7 | 44% | 0.443 | 38% | 0.375 | S | S | . | . | trans | -108.1 | 69.1 | 178.5 | -75 | -107.7 | 0 | 0 | 0 | 110.9 | F160 I215 T222 | F160-F162 HydrophobicContact CD1-CB 3.84Å; F160-F162 AromaticContact CD1-CD2 3.64Å; F160-F162 HydrophobicContact CD1-CD2 3.64Å; F160-F162 HydrophobicContact CD1-CG 4.11Å; F160-F162 HydrophobicContact CE1-CB 3.82Å; F160-F162 AromaticContact CE1-CD2 3.01Å; F160-F162 HydrophobicContact CE1-CD2 3.01Å; F160-F162 AromaticContact CE1-CE2 3.64Å; F160-F162 HydrophobicContact CE1-CE2 3.64Å; F160-F162 AromaticContact CE1-CG 3.6Å; F160-F162 HydrophobicContact CE1-CG 3.6Å; F160-F162 HydrophobicContact CE2-CD2 4.42Å; F160-F162 AromaticContact CZ-CD2 3.46Å; F160-F162 HydrophobicContact CZ-CD2 3.46Å; F160-F162 VanDerWaalsContact CZ-CD2 3.46Å; F160-F162 AromaticContact CZ-CE2 3.6Å; F160-F162 HydrophobicContact CZ-CE2 3.6Å; F160-F162 HydrophobicContact CZ-CG 4.41Å; F160-F162 PolarHBondContact O-N 3.05Å; F162-I215 HydrophobicContact CE2-CG1 4.23Å; F162-I215 HydrophobicContact CZ-CG1 3.78Å; F162-T222 HydrophobicContact CE2-CG2 4.31Å | ||
| 163 | S | 55.5 | Low | 73.7 | Confident | 48 Ų | 48 | 73 Ų | 73 | 34% | 0.336 | 39% | 0.391 | S | S | . | . | trans | -106.5 | 124.5 | 168.2 | 169.4 | 0 | 0 | 0 | 0 | 108.9 | V165 D166 | S163-V165 PolarHBondContact O-N 3.29Å; S163-V165 PolarHBondContact OG-N 2.61Å; S163-D166 WeakPolarHBondContact CB-OD2 3.29Å; S163-D166 PolarHBondContact OG-N 3.28Å; S163-D166 PolarHBondContact OG-OD2 3.07Å | ||
| 164 | T | 48.7 | Very low | 73 | Confident | 150 Ų | 150 | 74.9 Ų | 74.9 | 92% | 0.92 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -75.9 | -1.3 | 178.2 | 46.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 165 | V | 50 | Low | 72.6 | Confident | 126 Ų | 126 | 73 Ų | 73 | 76% | 0.764 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -121.4 | -9.4 | -168 | -166.6 | 0 | 0 | 0 | 0 | 112.3 | S163 | S163-V165 PolarHBondContact O-N 3.29Å; S163-V165 PolarHBondContact OG-N 2.61Å |
| 166 | D | 51.9 | Low | 72.3 | Confident | 71 Ų | 71 | 75.6 Ų | 75.6 | 38% | 0.38 | 40% | 0.399 | S | S | . | . | trans | -89.7 | 140.4 | -172.7 | -83.6 | -55.4 | 0 | 0 | 0 | 115 | S163 T170 V171 | S163-D166 WeakPolarHBondContact CB-OD2 3.29Å; S163-D166 PolarHBondContact OG-N 3.28Å; S163-D166 PolarHBondContact OG-OD2 3.07Å; D166-T170 HydrophobicContact CB-CG2 4.43Å; D166-V171 HydrophobicContact CB-CG2 3.74Å | ||
| 167 | N | 60.5 | Low | 72.2 | Confident | 127 Ų | 127 | 75.8 Ų | 75.8 | 68% | 0.679 | 40% | 0.4 | S | S | * | . | trans | -63.5 | 145.7 | 172.1 | -71.4 | -38.5 | 0 | 0 | 0 | 111.4 | R169 T170 V171 | N167-R169 PolarHBondContact O-N 2.87Å; N167-T170 WeakPolarHBondContact O-CA 3.33Å; N167-T170 VanDerWaalsContact O-CB 3.3Å; N167-T170 WeakPolarHBondContact O-CB 3.27Å; N167-T170 PolarHBondContact O-N 2.81Å; N167-V171 PolarHBondContact O-N 2.85Å | ||
| 168 | L | 62.9 | Low | 72.2 | Confident | 157 Ų | 157 | 72 Ų | 72 | 82% | 0.822 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -54.4 | -33.2 | -174.9 | -169.1 | 132.6 | 0 | 0 | 0 | 114.5 | S172 | L168-S172 WeakPolarHBondContact O-CB 3.33Å; L168-S172 PolarHBondContact O-N 3.07Å |
| 169 | R | 62.6 | Low | 72.4 | Confident | 197 Ų | 197 | 69 Ų | 69 | 74% | 0.743 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66 | -42.8 | 172.8 | -177.4 | -179.9 | -75.2 | -174 | -3 | 112.2 | N167 S172 Q173 | N167-R169 PolarHBondContact O-N 2.87Å; R169-S172 PolarHBondContact O-N 3.08Å; R169-Q173 WeakPolarHBondContact O-CB 3.44Å; R169-Q173 WeakPolarHBondContact O-CG 3.37Å; R169-Q173 PolarHBondContact O-N 2.89Å |
| 170 | T | 65.6 | Low | 72.8 | Confident | 46 Ų | 46 | 69.1 Ų | 69.1 | 28% | 0.282 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 176.5 | -48.3 | 0 | 0 | 0 | 0 | 110.6 | D166 N167 S172 Q173 N174 | D166-T170 HydrophobicContact CB-CG2 4.43Å; N167-T170 WeakPolarHBondContact O-CA 3.33Å; N167-T170 VanDerWaalsContact O-CB 3.3Å; N167-T170 WeakPolarHBondContact O-CB 3.27Å; N167-T170 PolarHBondContact O-N 2.81Å; T170-S172 PolarHBondContact O-N 2.85Å; T170-Q173 PolarHBondContact O-N 3.33Å; T170-N174 WeakPolarHBondContact O-CB 3.35Å; T170-N174 PolarHBondContact O-N 3.04Å |
| 171 | V | 67.4 | Low | 73.3 | Confident | 43 Ų | 43 | 68 Ų | 68 | 26% | 0.261 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | P161 D166 N167 Q173 N174 Y175 | P161-V171 HydrophobicContact CB-CG1 4.33Å; D166-V171 HydrophobicContact CB-CG2 3.74Å; N167-V171 PolarHBondContact O-N 2.85Å; V171-Q173 PolarHBondContact O-N 2.96Å; V171-N174 PolarHBondContact O-N 2.99Å; V171-Y175 VanDerWaalsContact O-CB 3.27Å; V171-Y175 WeakPolarHBondContact O-CB 3.26Å; V171-Y175 PolarHBondContact O-N 3.01Å |
| 172 | S | 74.4 | Confident | 74.3 | Confident | 59 Ų | 59 | 67 Ų | 67 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 177.5 | -173.9 | 0 | 0 | 0 | 0 | 112.9 | L168 R169 T170 Q176 | L168-S172 WeakPolarHBondContact O-CB 3.33Å; L168-S172 PolarHBondContact O-N 3.07Å; R169-S172 PolarHBondContact O-N 3.08Å; T170-S172 PolarHBondContact O-N 2.85Å; S172-Q176 WeakPolarHBondContact O-CG 3.31Å; S172-Q176 PolarHBondContact O-N 2.85Å; S172-Q176 VanDerWaalsContact O-N 3.12Å |
| 173 | Q | 77.9 | Confident | 75.7 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 33% | 0.327 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.7 | -43.4 | 178.3 | -81.1 | -177.7 | -6.6 | 0 | 0 | 112.9 | L119 R169 T170 V171 Q176 L177 | L119-Q173 HydrophobicContact CD2-CB 3.78Å; L119-Q173 HydrophobicContact CD2-CG 4.21Å; R169-Q173 WeakPolarHBondContact O-CB 3.44Å; R169-Q173 WeakPolarHBondContact O-CG 3.37Å; R169-Q173 PolarHBondContact O-N 2.89Å; T170-Q173 PolarHBondContact O-N 3.33Å; V171-Q173 PolarHBondContact O-N 2.96Å; Q173-Q176 PolarHBondContact O-N 3.42Å; Q173-L177 PolarHBondContact O-N 3.33Å |
| 174 | N | 80.8 | Confident | 77.7 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 24% | 0.235 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 175.2 | -72.8 | -8 | 0 | 0 | 0 | 110.8 | T170 V171 Q176 L177 W178 | T170-N174 WeakPolarHBondContact O-CB 3.35Å; T170-N174 PolarHBondContact O-N 3.04Å; V171-N174 PolarHBondContact O-N 2.99Å; N174-Q176 PolarHBondContact O-N 3.39Å; N174-L177 PolarHBondContact O-N 3.42Å; N174-W178 VanDerWaalsContact O-CB 3.27Å; N174-W178 WeakPolarHBondContact O-CB 3.47Å; N174-W178 PolarHBondContact O-N 2.99Å |
| 175 | Y | 85.5 | Confident | 80.1 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 19% | 0.192 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 173.9 | 175.2 | -116.7 | 0 | 0 | 0 | 112.9 | P161 V171 L177 W178 T179 E221 T222 | P161-Y175 HydrophobicContact CB-CD2 4.49Å; P161-Y175 HydrophobicContact CG-CD2 4.06Å; V171-Y175 VanDerWaalsContact O-CB 3.27Å; V171-Y175 WeakPolarHBondContact O-CB 3.26Å; V171-Y175 PolarHBondContact O-N 3.01Å; Y175-L177 PolarHBondContact O-N 2.92Å; Y175-W178 HydrophobicContact CD2-CE3 4.15Å; Y175-W178 HydrophobicContact CE2-CE3 4.25Å; Y175-W178 HydrophobicContact CE2-CZ3 4.3Å; Y175-W178 PolarHBondContact O-N 3.11Å; Y175-T179 WeakPolarHBondContact CE2-OG1 3.2Å; Y175-T179 WeakPolarHBondContact O-CB 3.46Å; Y175-T179 PolarHBondContact O-N 2.9Å; Y175-T179 PolarHBondContact O-OG1 3.05Å; Y175-E221 WeakPolarHBondContact OH-CB 3.31Å; Y175-E221 PolarHBondContact OH-O 3.25Å; Y175-T222 HydrophobicContact CD2-CG2 4.42Å; Y175-T222 HydrophobicContact CE2-CG2 4.14Å |
| 176 | Q | 88.3 | Confident | 82.3 | Confident | 69 Ų | 69 | 49 Ų | 49 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 176.2 | -73.8 | 176.5 | 11.1 | 0 | 0 | 112.6 | R123 S172 Q173 N174 S180 | R123-Q176 VanDerWaalsContact NH2-OE1 3.14Å; S172-Q176 WeakPolarHBondContact O-CG 3.31Å; S172-Q176 PolarHBondContact O-N 2.85Å; S172-Q176 VanDerWaalsContact O-N 3.12Å; Q173-Q176 PolarHBondContact O-N 3.42Å; N174-Q176 PolarHBondContact O-N 3.39Å; Q176-S180 PolarHBondContact O-N 3Å; Q176-S180 PolarHBondContact O-OG 2.94Å |
| 177 | L | 90.9 | Very high | 84.4 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -50.2 | 173.9 | 175.9 | 63.3 | 0 | 0 | 0 | 110.7 | L119 K122 R123 V126 T159 Q173 N174 Y175 T179 S180 V181 | L119-L177 HydrophobicContact CD1-CB 4.2Å; L119-L177 HydrophobicContact CD1-CD2 3.79Å; K122-L177 HydrophobicContact CB-CD1 4.21Å; K122-L177 HydrophobicContact CD-CD2 4.49Å; R123-L177 HydrophobicContact CG-CB 4.28Å; R123-L177 HydrophobicContact CG-CD1 4.02Å; V126-L177 HydrophobicContact CG2-CD1 4.02Å; T159-L177 HydrophobicContact CG2-CD2 4Å; Q173-L177 PolarHBondContact O-N 3.33Å; N174-L177 PolarHBondContact O-N 3.42Å; Y175-L177 PolarHBondContact O-N 2.92Å; L177-T179 PolarHBondContact O-N 3.27Å; L177-S180 CarbonylContact O-C 3.58Å; L177-S180 WeakPolarHBondContact O-CA 3.29Å; L177-S180 VanDerWaalsContact O-CB 3.31Å; L177-S180 WeakPolarHBondContact O-CB 3.45Å; L177-S180 PolarHBondContact O-N 3.47Å; L177-V181 HydrophobicContact CD1-CG2 4.08Å; L177-V181 HydrophobicContact CG-CG2 4.26Å; L177-V181 WeakPolarHBondContact O-CG2 3.47Å; L177-V181 PolarHBondContact O-N 3.02Å |
| 178 | W | 92.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -43.6 | -176.1 | 178.5 | 83.4 | 0 | 0 | 0 | 112.8 | F156 F160 N174 Y175 S180 V181 S182 W211 P225 I226 | F156-W178 AromaticContact CD2-CE2 3.8Å; F156-W178 HydrophobicContact CD2-CZ2 4.16Å; F156-W178 AromaticContact CD2-NE1 3.3Å; F156-W178 VanDerWaalsContact CD2-NE1 3.3Å; F156-W178 AromaticContact CE2-CE2 3.58Å; F156-W178 HydrophobicContact CE2-CH2 4.43Å; F156-W178 AromaticContact CE2-CZ2 3.44Å; F156-W178 HydrophobicContact CE2-CZ2 3.44Å; F156-W178 VanDerWaalsContact CE2-CZ2 3.44Å; F156-W178 AromaticContact CE2-NE1 3.54Å; F156-W178 HydrophobicContact CZ-CZ2 4.07Å; F156-W178 VanDerWaalsContact O-CD1 3.3Å; F156-W178 PolarHBondContact O-NE1 3.37Å; F160-W178 HydrophobicContact CD2-CD2 4.27Å; F160-W178 AromaticContact CD2-CE2 3.53Å; F160-W178 HydrophobicContact CD2-CH2 4.24Å; F160-W178 AromaticContact CD2-CZ2 3.52Å; F160-W178 HydrophobicContact CD2-CZ2 3.52Å; F160-W178 AromaticContact CD2-NE1 3.65Å; F160-W178 HydrophobicContact CE2-CH2 4Å; F160-W178 AromaticContact CE2-CZ2 3.66Å; F160-W178 HydrophobicContact CE2-CZ2 3.66Å; N174-W178 VanDerWaalsContact O-CB 3.27Å; N174-W178 WeakPolarHBondContact O-CB 3.47Å; N174-W178 PolarHBondContact O-N 2.99Å; Y175-W178 HydrophobicContact CD2-CE3 4.15Å; Y175-W178 HydrophobicContact CE2-CE3 4.25Å; Y175-W178 HydrophobicContact CE2-CZ3 4.3Å; Y175-W178 PolarHBondContact O-N 3.11Å; W178-S180 VanDerWaalsContact C-N 3.3Å; W178-S180 PolarHBondContact O-N 2.94Å; W178-V181 PolarHBondContact O-N 3.29Å; W178-S182 WeakPolarHBondContact O-CB 3.44Å; W178-S182 PolarHBondContact O-N 2.73Å; W178-W211 HydrophobicContact CZ2-CZ3 4.17Å; W178-P225 HydrophobicContact CH2-CB 3.79Å; W178-P225 HydrophobicContact CZ3-CB 3.67Å; W178-P225 HydrophobicContact CZ3-CG 3.99Å; W178-I226 HydrophobicContact CH2-CG1 3.86Å; W178-I226 HydrophobicContact CZ2-CG1 4.24Å |
| 179 | T | 92.4 | Very high | 87.8 | Confident | 26 Ų | 26 | 32.3 Ų | 32.3 | 16% | 0.16 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65 | -33.9 | 174.6 | -64.2 | 0 | 0 | 0 | 0 | 112 | Y175 L177 S183 P225 | Y175-T179 WeakPolarHBondContact CE2-OG1 3.2Å; Y175-T179 WeakPolarHBondContact O-CB 3.46Å; Y175-T179 PolarHBondContact O-N 2.9Å; Y175-T179 PolarHBondContact O-OG1 3.05Å; L177-T179 PolarHBondContact O-N 3.27Å; T179-S183 WeakPolarHBondContact O-CB 3.39Å; T179-S183 PolarHBondContact O-N 3.34Å; T179-S183 PolarHBondContact O-OG 3.35Å; T179-P225 HydrophobicContact CG2-CG 4.03Å |
| 180 | S | 93.9 | Very high | 89.3 | Confident | 19 Ų | 19 | 23.3 Ų | 23.3 | 13% | 0.133 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.3 | -41.4 | 173.4 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | V126 Q176 L177 W178 S183 A184 | V126-S180 VanDerWaalsContact CG1-C 3.46Å; V126-S180 WeakPolarHBondContact CG1-O 3.48Å; Q176-S180 PolarHBondContact O-N 3Å; Q176-S180 PolarHBondContact O-OG 2.94Å; L177-S180 CarbonylContact O-C 3.58Å; L177-S180 WeakPolarHBondContact O-CA 3.29Å; L177-S180 VanDerWaalsContact O-CB 3.31Å; L177-S180 WeakPolarHBondContact O-CB 3.45Å; L177-S180 PolarHBondContact O-N 3.47Å; W178-S180 VanDerWaalsContact C-N 3.3Å; W178-S180 PolarHBondContact O-N 2.94Å; S180-S183 WeakPolarHBondContact O-CB 3.41Å; S180-S183 PolarHBondContact O-N 3.27Å; S180-A184 PolarHBondContact O-N 3.33Å |
| 181 | V | 96.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 176.1 | 169 | 0 | 0 | 0 | 0 | 110.8 | V126 L152 L155 F156 L177 W178 S183 A184 L185 | V126-V181 HydrophobicContact CG1-CG2 4.03Å; V126-V181 HydrophobicContact CG2-CG2 3.86Å; L152-V181 HydrophobicContact CB-CG1 4.42Å; L152-V181 HydrophobicContact CD2-CB 4.43Å; L152-V181 HydrophobicContact CD2-CG1 4.03Å; L152-V181 HydrophobicContact CD2-CG2 4.28Å; L152-V181 WeakPolarHBondContact O-CG1 3.34Å; L155-V181 HydrophobicContact CB-CG1 4.06Å; L155-V181 HydrophobicContact CB-CG2 4.08Å; L155-V181 HydrophobicContact CD1-CG2 4.31Å; F156-V181 HydrophobicContact CB-CG1 3.82Å; L177-V181 HydrophobicContact CD1-CG2 4.08Å; L177-V181 HydrophobicContact CG-CG2 4.26Å; L177-V181 WeakPolarHBondContact O-CG2 3.47Å; L177-V181 PolarHBondContact O-N 3.02Å; W178-V181 PolarHBondContact O-N 3.29Å; V181-S183 VanDerWaalsContact C-N 3.27Å; V181-S183 PolarHBondContact O-N 2.99Å; V181-A184 PolarHBondContact O-N 2.95Å; V181-L185 HydrophobicContact CG1-CD1 4.4Å; V181-L185 WeakPolarHBondContact O-CG 3.36Å; V181-L185 PolarHBondContact O-N 2.82Å |
| 182 | S | 96.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.014 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.4 | -43.3 | 173 | 180 | 0 | 0 | 0 | 0 | 111.5 | W178 L185 C186 P225 | W178-S182 WeakPolarHBondContact O-CB 3.44Å; W178-S182 PolarHBondContact O-N 2.73Å; S182-L185 PolarHBondContact O-N 2.73Å; S182-C186 PolarHBondContact O-N 3.29Å; S182-C186 PolarHBondContact O-SG 3.34Å; S182-P225 PolarHBondContact OG-O 3.05Å |
| 183 | S | 96 | Very high | 92.7 | Very high | 32 Ų | 32 | 23.6 Ų | 23.6 | 22% | 0.224 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 177.6 | -56 | 0 | 0 | 0 | 0 | 112.2 | F130 T179 S180 V181 C186 G187 | F130-S183 WeakPolarHBondContact CD2-O 3.39Å; T179-S183 WeakPolarHBondContact O-CB 3.39Å; T179-S183 PolarHBondContact O-N 3.34Å; T179-S183 PolarHBondContact O-OG 3.35Å; S180-S183 WeakPolarHBondContact O-CB 3.41Å; S180-S183 PolarHBondContact O-N 3.27Å; V181-S183 VanDerWaalsContact C-N 3.27Å; V181-S183 PolarHBondContact O-N 2.99Å; S183-C186 PolarHBondContact O-N 2.99Å; S183-G187 PolarHBondContact O-N 3.25Å |
| 184 | A | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V126 F130 L152 S180 V181 G187 S188 | V126-A184 HydrophobicContact CG1-CB 4.01Å; F130-A184 HydrophobicContact CB-CB 3.98Å; L152-A184 HydrophobicContact CD1-CB 3.69Å; L152-A184 HydrophobicContact CD2-CB 3.83Å; L152-A184 HydrophobicContact CG-CB 4.44Å; S180-A184 PolarHBondContact O-N 3.33Å; V181-A184 PolarHBondContact O-N 2.95Å; A184-G187 PolarHBondContact O-N 3.04Å; A184-S188 WeakPolarHBondContact O-CB 3.37Å; A184-S188 PolarHBondContact O-N 2.93Å; A184-S188 PolarHBondContact O-OG 3.48Å |
| 185 | L | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -50.6 | 172.3 | -73.8 | 174.9 | 0 | 0 | 0 | 111.3 | L149 L152 M153 F156 V181 S182 G187 S188 V189 F229 | L149-L185 HydrophobicContact CD1-CD2 3.63Å; L152-L185 HydrophobicContact CB-CD2 3.48Å; L152-L185 VanDerWaalsContact CB-CD2 3.48Å; L152-L185 HydrophobicContact CB-CG 3.95Å; L152-L185 HydrophobicContact CD1-CD2 4.27Å; M153-L185 HydrophobicContact CG-CD2 3.83Å; M153-L185 HydrophobicContact SD-CD1 3.94Å; M153-L185 HydrophobicContact SD-CD2 3.87Å; F156-L185 HydrophobicContact CB-CD1 3.59Å; F156-L185 HydrophobicContact CD1-CD1 3.96Å; F156-L185 HydrophobicContact CD2-CD1 4.02Å; F156-L185 HydrophobicContact CG-CD1 3.61Å; V181-L185 HydrophobicContact CG1-CD1 4.4Å; V181-L185 WeakPolarHBondContact O-CG 3.36Å; V181-L185 PolarHBondContact O-N 2.82Å; S182-L185 PolarHBondContact O-N 2.73Å; L185-G187 VanDerWaalsContact C-N 3.32Å; L185-G187 PolarHBondContact O-N 2.74Å; L185-S188 WeakPolarHBondContact O-CB 3.45Å; L185-S188 PolarHBondContact O-N 3.42Å; L185-V189 PolarHBondContact O-N 3.43Å; L185-V189 VanDerWaalsContact O-N 3.16Å; L185-F229 HydrophobicContact CB-CD2 4.05Å; L185-F229 HydrophobicContact CB-CE2 4.06Å; L185-F229 HydrophobicContact CD1-CD2 4.19Å; L185-F229 HydrophobicContact CD1-CE2 3.85Å; L185-F229 HydrophobicContact CG-CE2 4.5Å |
| 186 | C | 97.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 25 Ų | 25 | 9% | 0.088 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.9 | -47.6 | 176.5 | -69.1 | 0 | 0 | 0 | 0 | 112.3 | S182 S183 S188 V189 N190 M232 | S182-C186 PolarHBondContact O-N 3.29Å; S182-C186 PolarHBondContact O-SG 3.34Å; S183-C186 PolarHBondContact O-N 2.99Å; C186-S188 VanDerWaalsContact C-N 3.3Å; C186-S188 PolarHBondContact O-N 3.1Å; C186-V189 PolarHBondContact O-N 2.94Å; C186-N190 PolarHBondContact O-N 3.01Å; C186-N190 VanDerWaalsContact O-N 3.11Å; C186-M232 HydrophobicContact CB-CB 4.12Å; C186-M232 HydrophobicContact CB-CE 4.22Å; C186-M232 HydrophobicContact CB-CG 4Å |
| 187 | G | 96.6 | Very high | 95 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 4% | 0.041 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.2 | -22.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q140 S183 A184 L185 | Q140-G187 WeakPolarHBondContact CG-O 3.37Å; Q140-G187 PolarHBondContact NE2-O 3.29Å; S183-G187 PolarHBondContact O-N 3.25Å; A184-G187 PolarHBondContact O-N 3.04Å; L185-G187 VanDerWaalsContact C-N 3.32Å; L185-G187 PolarHBondContact O-N 2.74Å |
| 188 | S | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -77.5 | -28 | 177.1 | -61.6 | 0 | 0 | 0 | 0 | 113.1 | Q140 A184 L185 C186 N194 | Q140-S188 WeakPolarHBondContact CG-O 3.49Å; A184-S188 WeakPolarHBondContact O-CB 3.37Å; A184-S188 PolarHBondContact O-N 2.93Å; A184-S188 PolarHBondContact O-OG 3.48Å; L185-S188 WeakPolarHBondContact O-CB 3.45Å; L185-S188 PolarHBondContact O-N 3.42Å; C186-S188 VanDerWaalsContact C-N 3.3Å; C186-S188 PolarHBondContact O-N 3.1Å; S188-N194 PolarHBondContact O-ND2 2.89Å |
| 189 | V | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -105.3 | -22.9 | -173.9 | -55.2 | 0 | 0 | 0 | 0 | 114.5 | L149 L185 C186 N194 G197 Q198 C201 M232 | L149-V189 HydrophobicContact CD1-CG1 4.48Å; L185-V189 PolarHBondContact O-N 3.43Å; L185-V189 VanDerWaalsContact O-N 3.16Å; C186-V189 PolarHBondContact O-N 2.94Å; V189-N194 WeakPolarHBondContact O-CA 3.49Å; V189-N194 WeakPolarHBondContact O-CB 3.44Å; V189-N194 PolarHBondContact O-N 3.13Å; V189-G197 VanDerWaalsContact CG1-C 3.44Å; V189-G197 WeakPolarHBondContact CG1-O 3.42Å; V189-Q198 HydrophobicContact CB-CG 3.87Å; V189-Q198 HydrophobicContact CG2-CG 4.38Å; V189-C201 HydrophobicContact CG1-CB 4.44Å; V189-C201 VanDerWaalsContact CG1-SG 3.54Å; V189-M232 HydrophobicContact CG2-CB 4.41Å |
| 190 | N | 94.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 26.9 Ų | 26.9 | 5% | 0.048 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -148.4 | 165.3 | -175.9 | -157.1 | -8.6 | 0 | 0 | 0 | 113.3 | Q140 C186 P192 M232 S235 | Q140-N190 PolarHBondContact NE2-O 2.72Å; C186-N190 PolarHBondContact O-N 3.01Å; C186-N190 VanDerWaalsContact O-N 3.11Å; N190-P192 CarbonylContact C-O 3.59Å; N190-P192 VanDerWaalsContact CA-O 3.25Å; N190-P192 WeakPolarHBondContact CA-O 3.35Å; N190-M232 HydrophobicContact CB-CB 4.24Å; N190-M232 HydrophobicContact CB-CE 3.78Å; N190-M232 WeakPolarHBondContact CB-O 3.49Å; N190-M232 HydrophobicContact CB-SD 4.13Å; N190-M232 PolarHBondContact ND2-O 3.44Å; N190-M232 VanDerWaalsContact ND2-O 3.12Å; N190-S235 VanDerWaalsContact ND2-CB 3.29Å; N190-S235 WeakPolarHBondContact ND2-CB 3.27Å; N190-S235 PolarHBondContact ND2-OG 3.38Å; N190-S235 VanDerWaalsContact ND2-OG 3.16Å |
| 191 | N | 90.1 | Very high | 95.8 | Very high | 44 Ų | 44 | 26 Ų | 26 | 24% | 0.235 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 71.8 | -171.1 | -70 | -42.4 | 0 | 0 | 0 | 113.8 | H135 M232 | H135-N191 WeakPolarHBondContact CA-O 3.5Å; H135-N191 PolarHBondContact N-O 3.33Å; H135-N191 PolarHBondContact ND1-O 3.4Å; N191-M232 HydrophobicContact CB-CE 4.36Å |
| 192 | P | 94.7 | Very high | 95.9 | Very high | 51 Ų | 51 | 27.4 Ų | 27.4 | 33% | 0.331 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -79.7 | 162.3 | 3.4 | 31.5 | -34.2 | 0 | 0 | 0 | 113.4 | K137 Q140 N190 | K137-P192 HydrophobicContact CB-CG 3.84Å; K137-P192 HydrophobicContact CD-CG 4.17Å; Q140-P192 PolarHBondContact NE2-O 3.35Å; Q140-P192 PolarHBondContact OE1-O 2.7Å; N190-P192 CarbonylContact C-O 3.59Å; N190-P192 VanDerWaalsContact CA-O 3.25Å; N190-P192 WeakPolarHBondContact CA-O 3.35Å |
| 193 | Q | 94.9 | Very high | 95.9 | Very high | 58 Ų | 58 | 30.2 Ų | 30.2 | 27% | 0.271 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 137.4 | -178.3 | -168.9 | 175.4 | -1.1 | 0 | 0 | 112.2 | K137 E195 S235 N236 | K137-Q193 PolarHBondContact NZ-O 3.02Å; Q193-E195 HydrophobicContact CG-CG 4.48Å; Q193-S235 PolarHBondContact NE2-O 3.17Å; Q193-N236 PolarHBondContact NE2-O 2.9Å |
| 194 | N | 95.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.043 | 15% | 0.152 | C | C | . | . | trans | -135.5 | 81.7 | 177.6 | -173.9 | 25.5 | 0 | 0 | 0 | 110.8 | K137 S188 V189 E196 G197 Q198 | K137-N194 PolarHBondContact NZ-OD1 3.4Å; S188-N194 PolarHBondContact O-ND2 2.89Å; V189-N194 WeakPolarHBondContact O-CA 3.49Å; V189-N194 WeakPolarHBondContact O-CB 3.44Å; V189-N194 PolarHBondContact O-N 3.13Å; N194-E196 VanDerWaalsContact C-N 3.27Å; N194-E196 PolarHBondContact O-N 3.44Å; N194-G197 CarbonylContact O-C 3.56Å; N194-G197 WeakPolarHBondContact O-CA 3.29Å; N194-G197 PolarHBondContact O-N 3.36Å; N194-Q198 WeakPolarHBondContact O-CG 3.34Å; N194-Q198 PolarHBondContact O-N 3.09Å | ||
| 195 | E | 95.6 | Very high | 95.9 | Very high | 111 Ų | 111 | 28.8 Ų | 28.8 | 52% | 0.519 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -52.7 | -37.6 | -175.7 | -65.5 | 171.9 | -159.3 | 0 | 0 | 114.5 | Q193 Q198 R199 | Q193-E195 HydrophobicContact CG-CG 4.48Å; E195-Q198 PolarHBondContact O-N 2.97Å; E195-R199 WeakPolarHBondContact O-CB 3.44Å; E195-R199 WeakPolarHBondContact O-CG 3.49Å; E195-R199 PolarHBondContact O-N 3.41Å |
| 196 | E | 94.3 | Very high | 95.9 | Very high | 75 Ų | 75 | 32.5 Ų | 32.5 | 35% | 0.35 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.8 | -41.3 | 177.6 | -167.4 | 64.9 | -115.5 | 0 | 0 | 111 | N194 R199 I200 | N194-E196 VanDerWaalsContact C-N 3.27Å; N194-E196 PolarHBondContact O-N 3.44Å; E196-R199 PolarHBondContact O-N 3.28Å; E196-R199 IonicContact OE1-CZ 2.74Å; E196-R199 IonicContact OE1-NH1 3.22Å; E196-R199 PolarHBondContact OE1-NH1 2.95Å; E196-R199 IonicContact OE1-NH2 2.63Å; E196-R199 IonicContact OE2-CZ 2.75Å; E196-R199 IonicContact OE2-NH1 3.71Å; E196-R199 PolarHBondContact OE2-NH1 3.32Å; E196-R199 IonicContact OE2-NH2 3.73Å; E196-R199 PolarHBondContact OE2-NH2 3.04Å; E196-I200 WeakPolarHBondContact O-CG1 3.45Å; E196-I200 PolarHBondContact O-N 3.11Å |
| 197 | G | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V189 N194 R199 I200 C201 | V189-G197 VanDerWaalsContact CG1-C 3.44Å; V189-G197 WeakPolarHBondContact CG1-O 3.42Å; N194-G197 CarbonylContact O-C 3.56Å; N194-G197 WeakPolarHBondContact O-CA 3.29Å; N194-G197 PolarHBondContact O-N 3.36Å; G197-R199 VanDerWaalsContact C-N 3.32Å; G197-R199 PolarHBondContact O-N 3.41Å; G197-I200 PolarHBondContact O-N 3.48Å; G197-C201 PolarHBondContact O-N 3.44Å |
| 198 | Q | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | 173.4 | -68 | 178.2 | -46.7 | 0 | 0 | 111.3 | V189 N194 E195 C201 V202 M232 T233 S235 N237 V240 | V189-Q198 HydrophobicContact CB-CG 3.87Å; V189-Q198 HydrophobicContact CG2-CG 4.38Å; N194-Q198 WeakPolarHBondContact O-CG 3.34Å; N194-Q198 PolarHBondContact O-N 3.09Å; E195-Q198 PolarHBondContact O-N 2.97Å; Q198-C201 PolarHBondContact O-N 3.09Å; Q198-V202 PolarHBondContact O-N 3.12Å; Q198-M232 PolarHBondContact NE2-O 2.98Å; Q198-T233 WeakPolarHBondContact CB-O 2.96Å; Q198-T233 VanDerWaalsContact CD-O 3.27Å; Q198-T233 WeakPolarHBondContact CG-O 3.34Å; Q198-T233 PolarHBondContact NE2-O 3.38Å; Q198-T233 VanDerWaalsContact NE2-O 3.15Å; Q198-S235 PolarHBondContact NE2-O 2.69Å; Q198-N237 PolarHBondContact OE1-ND2 2.64Å; Q198-V240 HydrophobicContact CB-CG2 4.15Å |
| 199 | R | 96.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 36.6 Ų | 36.6 | 35% | 0.351 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 176.1 | -77.1 | -171.6 | -83.5 | 109.6 | 0.1 | 112.9 | E195 E196 G197 C201 V202 Y239 V240 | E195-R199 WeakPolarHBondContact O-CB 3.44Å; E195-R199 WeakPolarHBondContact O-CG 3.49Å; E195-R199 PolarHBondContact O-N 3.41Å; E196-R199 PolarHBondContact O-N 3.28Å; E196-R199 IonicContact OE1-CZ 2.74Å; E196-R199 IonicContact OE1-NH1 3.22Å; E196-R199 PolarHBondContact OE1-NH1 2.95Å; E196-R199 IonicContact OE1-NH2 2.63Å; E196-R199 IonicContact OE2-CZ 2.75Å; E196-R199 IonicContact OE2-NH1 3.71Å; E196-R199 PolarHBondContact OE2-NH1 3.32Å; E196-R199 IonicContact OE2-NH2 3.73Å; E196-R199 PolarHBondContact OE2-NH2 3.04Å; G197-R199 VanDerWaalsContact C-N 3.32Å; G197-R199 PolarHBondContact O-N 3.41Å; R199-C201 VanDerWaalsContact C-N 3.31Å; R199-C201 PolarHBondContact O-N 2.97Å; R199-V202 WeakPolarHBondContact O-CB 3.31Å; R199-V202 WeakPolarHBondContact O-CG2 3.33Å; R199-V202 PolarHBondContact O-N 3.39Å; R199-Y239 HydrophobicContact CG-CD1 3.72Å; R199-Y239 HydrophobicContact CG-CE1 3.77Å; R199-V240 HydrophobicContact CG-CG2 3.98Å |
| 200 | I | 95.6 | Very high | 95.2 | Very high | 44 Ų | 44 | 39.3 Ų | 39.3 | 23% | 0.226 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | 172.5 | -68.6 | 162.7 | 0 | 0 | 0 | 110.9 | Q144 L149 E196 G197 V202 A203 | Q144-I200 HydrophobicContact CG-CD1 3.98Å; L149-I200 HydrophobicContact CD2-CB 4.07Å; L149-I200 HydrophobicContact CD2-CD1 3.83Å; L149-I200 HydrophobicContact CD2-CG2 4Å; L149-I200 HydrophobicContact CG-CG2 4.13Å; E196-I200 WeakPolarHBondContact O-CG1 3.45Å; E196-I200 PolarHBondContact O-N 3.11Å; G197-I200 PolarHBondContact O-N 3.48Å; I200-V202 VanDerWaalsContact C-N 3.26Å; I200-V202 PolarHBondContact O-N 3.18Å; I200-A203 PolarHBondContact O-N 2.82Å |
| 201 | C | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.3 | -15.8 | 180 | -76.9 | 0 | 0 | 0 | 0 | 115.2 | M153 V189 G197 Q198 R199 A203 A204 F229 T233 | M153-C201 HydrophobicContact CE-CB 4.44Å; M153-C201 HydrophobicContact SD-CB 4.25Å; V189-C201 HydrophobicContact CG1-CB 4.44Å; V189-C201 VanDerWaalsContact CG1-SG 3.54Å; G197-C201 PolarHBondContact O-N 3.44Å; Q198-C201 PolarHBondContact O-N 3.09Å; R199-C201 VanDerWaalsContact C-N 3.31Å; R199-C201 PolarHBondContact O-N 2.97Å; C201-A203 PolarHBondContact O-N 3.27Å; C201-A203 VanDerWaalsContact O-N 3.11Å; C201-A204 PolarHBondContact O-N 2.74Å; C201-F229 HydrophobicContact CB-CE2 4.19Å; C201-F229 HydrophobicContact CB-CZ 3.91Å; C201-T233 HydrophobicContact CB-CG2 3.5Å; C201-T233 VanDerWaalsContact CB-CG2 3.5Å |
| 202 | V | 97.4 | Very high | 95 | Very high | 31 Ų | 31 | 37.5 Ų | 37.5 | 19% | 0.188 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -52.9 | -33.2 | 172.9 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | Q198 R199 I200 A204 F205 V240 | Q198-V202 PolarHBondContact O-N 3.12Å; R199-V202 WeakPolarHBondContact O-CB 3.31Å; R199-V202 WeakPolarHBondContact O-CG2 3.33Å; R199-V202 PolarHBondContact O-N 3.39Å; I200-V202 VanDerWaalsContact C-N 3.26Å; I200-V202 PolarHBondContact O-N 3.18Å; V202-A204 PolarHBondContact O-N 3.46Å; V202-F205 HydrophobicContact CB-CD2 4.27Å; V202-F205 HydrophobicContact CB-CE2 4.22Å; V202-F205 HydrophobicContact CG1-CD2 3.94Å; V202-F205 HydrophobicContact CG1-CE2 4.24Å; V202-F205 HydrophobicContact CG2-CD2 4.43Å; V202-F205 HydrophobicContact CG2-CE2 3.91Å; V202-F205 WeakPolarHBondContact O-CB 3.35Å; V202-F205 WeakPolarHBondContact O-CG 3.42Å; V202-F205 PolarHBondContact O-N 2.83Å; V202-V240 HydrophobicContact CG2-CB 4.4Å; V202-V240 HydrophobicContact CG2-CG1 3.97Å; V202-V240 HydrophobicContact CG2-CG2 3.96Å |
| 203 | A | 96.4 | Very high | 94.6 | Very high | 61 Ų | 61 | 39.8 Ų | 39.8 | 50% | 0.504 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -66.9 | -0.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R157 I200 C201 | R157-A203 VanDerWaalsContact NH2-C 3.31Å; R157-A203 VanDerWaalsContact NH2-CB 3.32Å; R157-A203 PolarHBondContact NH2-O 3.17Å; I200-A203 PolarHBondContact O-N 2.82Å; C201-A203 PolarHBondContact O-N 3.27Å; C201-A203 VanDerWaalsContact O-N 3.11Å |
| 204 | A | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -99.7 | -11.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M153 F156 C201 V202 I207 V208 F229 | M153-A204 HydrophobicContact CE-CB 3.48Å; M153-A204 VanDerWaalsContact CE-CB 3.48Å; M153-A204 HydrophobicContact SD-CB 4.34Å; F156-A204 HydrophobicContact CD1-CB 4.3Å; F156-A204 HydrophobicContact CE1-CB 4.21Å; C201-A204 PolarHBondContact O-N 2.74Å; V202-A204 PolarHBondContact O-N 3.46Å; A204-I207 HydrophobicContact CB-CG2 4.5Å; A204-I207 WeakPolarHBondContact O-CG2 3.3Å; A204-I207 PolarHBondContact O-N 3.38Å; A204-V208 HydrophobicContact CB-CG2 4.36Å; A204-V208 WeakPolarHBondContact O-CB 3.49Å; A204-V208 WeakPolarHBondContact O-CG2 3.23Å; A204-V208 PolarHBondContact O-N 3.02Å; A204-F229 HydrophobicContact CB-CE1 3.85Å; A204-F229 HydrophobicContact CB-CZ 3.8Å |
| 205 | F | 97.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -39.4 | -175.3 | -64.8 | -20.1 | 0 | 0 | 0 | 115.1 | V202 I207 V208 K209 T233 V234 V240 F244 | V202-F205 HydrophobicContact CB-CD2 4.27Å; V202-F205 HydrophobicContact CB-CE2 4.22Å; V202-F205 HydrophobicContact CG1-CD2 3.94Å; V202-F205 HydrophobicContact CG1-CE2 4.24Å; V202-F205 HydrophobicContact CG2-CD2 4.43Å; V202-F205 HydrophobicContact CG2-CE2 3.91Å; V202-F205 WeakPolarHBondContact O-CB 3.35Å; V202-F205 WeakPolarHBondContact O-CG 3.42Å; V202-F205 PolarHBondContact O-N 2.83Å; F205-I207 PolarHBondContact O-N 3.29Å; F205-V208 PolarHBondContact O-N 3.26Å; F205-K209 WeakPolarHBondContact O-CB 3.41Å; F205-K209 PolarHBondContact O-N 3.37Å; F205-T233 HydrophobicContact CE1-CG2 3.79Å; F205-T233 HydrophobicContact CZ-CG2 3.68Å; F205-V234 HydrophobicContact CZ-CG1 3.97Å; F205-V240 HydrophobicContact CE2-CG1 3.83Å; F205-V240 WeakPolarHBondContact CE2-O 3.46Å; F205-V240 HydrophobicContact CZ-CG1 3.59Å; F205-F244 HydrophobicContact CB-CD2 4.11Å; F205-F244 AromaticContact CD1-CD2 3.79Å; F205-F244 HydrophobicContact CD1-CD2 3.79Å; F205-F244 HydrophobicContact CD1-CE2 4.4Å; F205-F244 HydrophobicContact CD2-CB 3.85Å; F205-F244 AromaticContact CD2-CD2 3.98Å; F205-F244 HydrophobicContact CD2-CD2 3.98Å; F205-F244 HydrophobicContact CD2-CG 4.43Å; F205-F244 HydrophobicContact CE1-CD2 4.09Å; F205-F244 HydrophobicContact CE2-CB 3.63Å; F205-F244 HydrophobicContact CE2-CD2 4.27Å; F205-F244 HydrophobicContact CE2-CG 4.41Å; F205-F244 HydrophobicContact CG-CB 4.46Å; F205-F244 AromaticContact CG-CD2 3.72Å; F205-F244 HydrophobicContact CG-CD2 3.72Å; F205-F244 HydrophobicContact CZ-CB 4.07Å; F205-F244 HydrophobicContact CZ-CD2 4.31Å |
| 206 | P | 95.9 | Very high | 91.4 | Very high | 78 Ų | 78 | 41.6 Ų | 41.6 | 51% | 0.506 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 177.3 | -25.3 | 35.9 | 0 | 0 | 0 | 113.3 | T210 | P206-T210 PolarHBondContact O-N 3.36Å; P206-T210 PolarHBondContact O-OG1 3.18Å; P206-T210 VanDerWaalsContact O-OG1 3.12Å |
| 207 | I | 93.5 | Very high | 89.4 | Confident | 53 Ų | 53 | 41.5 Ų | 41.5 | 27% | 0.272 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -77.6 | -36.3 | 180 | -166.6 | 174 | 0 | 0 | 0 | 111.6 | R157 A204 F205 K209 T210 W211 | R157-I207 HydrophobicContact CB-CD1 4.42Å; R157-I207 HydrophobicContact CG-CG2 4.3Å; A204-I207 HydrophobicContact CB-CG2 4.5Å; A204-I207 WeakPolarHBondContact O-CG2 3.3Å; A204-I207 PolarHBondContact O-N 3.38Å; F205-I207 PolarHBondContact O-N 3.29Å; I207-K209 VanDerWaalsContact C-N 3.33Å; I207-K209 PolarHBondContact O-N 3.49Å; I207-T210 WeakPolarHBondContact O-CB 3.49Å; I207-T210 PolarHBondContact O-N 3.44Å; I207-T210 VanDerWaalsContact O-N 3.11Å; I207-W211 HydrophobicContact CD1-CH2 4.45Å; I207-W211 HydrophobicContact CD1-CZ2 3.56Å; I207-W211 HydrophobicContact CG1-CD2 4.37Å; I207-W211 HydrophobicContact CG1-CH2 4.46Å; I207-W211 HydrophobicContact CG1-CZ2 3.65Å; I207-W211 HydrophobicContact CG2-CH2 4.28Å; I207-W211 HydrophobicContact CG2-CZ2 4.28Å; I207-W211 VanDerWaalsContact O-CG 3.28Å; I207-W211 PolarHBondContact O-N 3.47Å |
| 208 | V | 94.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 171.8 | 163.6 | 0 | 0 | 0 | 0 | 111.5 | F156 A204 F205 T210 W211 L212 I226 F229 I230 | F156-V208 HydrophobicContact CE1-CG2 3.96Å; F156-V208 HydrophobicContact CZ-CG2 4.35Å; A204-V208 HydrophobicContact CB-CG2 4.36Å; A204-V208 WeakPolarHBondContact O-CB 3.49Å; A204-V208 WeakPolarHBondContact O-CG2 3.23Å; A204-V208 PolarHBondContact O-N 3.02Å; F205-V208 PolarHBondContact O-N 3.26Å; V208-T210 PolarHBondContact O-N 2.94Å; V208-W211 HydrophobicContact CB-CE3 4.45Å; V208-W211 HydrophobicContact CG2-CE3 3.91Å; V208-W211 HydrophobicContact CG2-CZ3 3.83Å; V208-W211 PolarHBondContact O-N 3.36Å; V208-L212 HydrophobicContact CG1-CD1 4.35Å; V208-L212 WeakPolarHBondContact O-CG 3.49Å; V208-L212 PolarHBondContact O-N 2.92Å; V208-I226 HydrophobicContact CG1-CG2 3.8Å; V208-F229 HydrophobicContact CG2-CD1 4.08Å; V208-F229 HydrophobicContact CG2-CE1 4.06Å; V208-I230 HydrophobicContact CG1-CD1 3.72Å; V208-I230 HydrophobicContact CG1-CG1 3.8Å |
| 209 | K | 94.1 | Very high | 85.8 | Confident | 52 Ų | 52 | 47.6 Ų | 47.6 | 23% | 0.226 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.2 | -47.6 | 171.4 | 169.8 | 177.8 | 171.7 | 172.4 | 0 | 111.3 | F205 I207 W211 L212 Q213 C247 T252 | F205-K209 WeakPolarHBondContact O-CB 3.41Å; F205-K209 PolarHBondContact O-N 3.37Å; I207-K209 VanDerWaalsContact C-N 3.33Å; I207-K209 PolarHBondContact O-N 3.49Å; K209-W211 VanDerWaalsContact C-N 3.3Å; K209-W211 PolarHBondContact O-N 2.73Å; K209-L212 PolarHBondContact O-N 3.33Å; K209-Q213 WeakPolarHBondContact O-CG 3.27Å; K209-Q213 PolarHBondContact O-N 3.2Å; K209-C247 WeakPolarHBondContact CD-O 3.21Å; K209-C247 PolarHBondContact NZ-O 3.07Å; K209-T252 HydrophobicContact CG-CG2 4.31Å |
| 210 | T | 91.4 | Very high | 84.4 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 177.5 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | P206 I207 V208 Q213 Q214 | P206-T210 PolarHBondContact O-N 3.36Å; P206-T210 PolarHBondContact O-OG1 3.18Å; P206-T210 VanDerWaalsContact O-OG1 3.12Å; I207-T210 WeakPolarHBondContact O-CB 3.49Å; I207-T210 PolarHBondContact O-N 3.44Å; I207-T210 VanDerWaalsContact O-N 3.11Å; V208-T210 PolarHBondContact O-N 2.94Å; T210-Q213 PolarHBondContact O-N 2.62Å; T210-Q214 HydrophobicContact CG2-CG 4.4Å; T210-Q214 WeakPolarHBondContact O-CB 3.35Å; T210-Q214 VanDerWaalsContact O-CG 3.29Å; T210-Q214 WeakPolarHBondContact O-CG 3.37Å; T210-Q214 PolarHBondContact O-N 3.15Å |
| 211 | W | 90.2 | Very high | 83.5 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 175.9 | -58.7 | -24.5 | 0 | 0 | 0 | 112.8 | F156 F160 W178 I207 V208 K209 Q213 Q214 I215 I226 | F156-W211 HydrophobicContact CD1-CH2 4.16Å; F156-W211 HydrophobicContact CD1-CZ3 4.23Å; F156-W211 HydrophobicContact CE1-CH2 4.03Å; F156-W211 AromaticContact CE1-CZ3 3.63Å; F156-W211 HydrophobicContact CE1-CZ3 3.63Å; F156-W211 HydrophobicContact CE2-CZ3 4.28Å; F156-W211 HydrophobicContact CZ-CH2 4.33Å; F156-W211 AromaticContact CZ-CZ3 3.67Å; F156-W211 HydrophobicContact CZ-CZ3 3.67Å; F156-W211 WeakPolarHBondContact O-CH2 3.41Å; F160-W211 HydrophobicContact CB-CH2 4.18Å; F160-W211 HydrophobicContact CB-CZ2 3.57Å; F160-W211 AromaticContact CD1-CD1 3.54Å; F160-W211 AromaticContact CD1-CD2 3.97Å; F160-W211 HydrophobicContact CD1-CD2 3.97Å; F160-W211 AromaticContact CD1-CE2 3.46Å; F160-W211 VanDerWaalsContact CD1-CE2 3.46Å; F160-W211 HydrophobicContact CD1-CG 4Å; F160-W211 HydrophobicContact CD1-CZ2 4.03Å; F160-W211 AromaticContact CD1-NE1 3.18Å; F160-W211 AromaticContact CD2-CD2 3.63Å; F160-W211 HydrophobicContact CD2-CD2 3.63Å; F160-W211 AromaticContact CD2-CE2 3.55Å; F160-W211 AromaticContact CD2-CE3 3.77Å; F160-W211 HydrophobicContact CD2-CE3 3.77Å; F160-W211 HydrophobicContact CD2-CG 4.29Å; F160-W211 AromaticContact CD2-CH2 3.81Å; F160-W211 HydrophobicContact CD2-CH2 3.81Å; F160-W211 AromaticContact CD2-CZ2 3.65Å; F160-W211 HydrophobicContact CD2-CZ2 3.65Å; F160-W211 AromaticContact CD2-CZ3 3.87Å; F160-W211 HydrophobicContact CD2-CZ3 3.87Å; F160-W211 HydrophobicContact CE1-CB 4.03Å; F160-W211 AromaticContact CE1-CD1 3.16Å; F160-W211 AromaticContact CE1-CD2 3.76Å; F160-W211 HydrophobicContact CE1-CD2 3.76Å; F160-W211 AromaticContact CE1-CE2 3.74Å; F160-W211 AromaticContact CE1-CG 3.4Å; F160-W211 HydrophobicContact CE1-CG 3.4Å; F160-W211 AromaticContact CE1-NE1 3.37Å; F160-W211 HydrophobicContact CE2-CB 4.26Å; F160-W211 AromaticContact CE2-CD2 3.48Å; F160-W211 HydrophobicContact CE2-CD2 3.48Å; F160-W211 VanDerWaalsContact CE2-CD2 3.48Å; F160-W211 AromaticContact CE2-CE2 3.88Å; F160-W211 AromaticContact CE2-CE3 3.62Å; F160-W211 HydrophobicContact CE2-CE3 3.62Å; F160-W211 AromaticContact CE2-CG 3.8Å; F160-W211 HydrophobicContact CE2-CG 3.8Å; F160-W211 HydrophobicContact CE2-CH2 4.5Å; F160-W211 HydrophobicContact CE2-CZ2 4.38Å; F160-W211 HydrophobicContact CE2-CZ3 4.14Å; F160-W211 AromaticContact CG-CD2 3.91Å; F160-W211 HydrophobicContact CG-CD2 3.91Å; F160-W211 AromaticContact CG-CE2 3.36Å; F160-W211 HydrophobicContact CG-CE3 4.45Å; F160-W211 HydrophobicContact CG-CG 4.42Å; F160-W211 HydrophobicContact CG-CH2 4.09Å; F160-W211 AromaticContact CG-CZ2 3.47Å; F160-W211 HydrophobicContact CG-CZ2 3.47Å; F160-W211 VanDerWaalsContact CG-CZ2 3.47Å; F160-W211 AromaticContact CG-NE1 3.62Å; F160-W211 HydrophobicContact CZ-CB 3.62Å; F160-W211 AromaticContact CZ-CD1 3.64Å; F160-W211 AromaticContact CZ-CD2 3.55Å; F160-W211 HydrophobicContact CZ-CD2 3.55Å; F160-W211 AromaticContact CZ-CE2 3.98Å; F160-W211 HydrophobicContact CZ-CE3 4.12Å; F160-W211 AromaticContact CZ-CG 3.32Å; F160-W211 HydrophobicContact CZ-CG 3.32Å; F160-W211 AromaticContact CZ-NE1 4Å; W178-W211 HydrophobicContact CZ2-CZ3 4.17Å; I207-W211 HydrophobicContact CD1-CH2 4.45Å; I207-W211 HydrophobicContact CD1-CZ2 3.56Å; I207-W211 HydrophobicContact CG1-CD2 4.37Å; I207-W211 HydrophobicContact CG1-CH2 4.46Å; I207-W211 HydrophobicContact CG1-CZ2 3.65Å; I207-W211 HydrophobicContact CG2-CH2 4.28Å; I207-W211 HydrophobicContact CG2-CZ2 4.28Å; I207-W211 VanDerWaalsContact O-CG 3.28Å; I207-W211 PolarHBondContact O-N 3.47Å; V208-W211 HydrophobicContact CB-CE3 4.45Å; V208-W211 HydrophobicContact CG2-CE3 3.91Å; V208-W211 HydrophobicContact CG2-CZ3 3.83Å; V208-W211 PolarHBondContact O-N 3.36Å; K209-W211 VanDerWaalsContact C-N 3.3Å; K209-W211 PolarHBondContact O-N 2.73Å; W211-Q213 PolarHBondContact O-N 3.3Å; W211-Q214 PolarHBondContact O-N 3.34Å; W211-Q214 VanDerWaalsContact O-N 3.12Å; W211-I215 HydrophobicContact CB-CD1 4.45Å; W211-I215 WeakPolarHBondContact O-CB 3.47Å; W211-I215 WeakPolarHBondContact O-CD1 3.4Å; W211-I215 VanDerWaalsContact O-CG1 3.24Å; W211-I215 WeakPolarHBondContact O-CG1 3.45Å; W211-I215 PolarHBondContact O-N 3.43Å; W211-I226 HydrophobicContact CB-CD1 4.02Å; W211-I226 HydrophobicContact CE3-CD1 4.36Å; W211-I226 HydrophobicContact CE3-CG1 4.46Å |
| 212 | L | 88.9 | Confident | 82.7 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.2 | -29.9 | 175 | -70.6 | 173.1 | 0 | 0 | 0 | 112.9 | V208 K209 F223 I226 I230 F244 T252 L253 | V208-L212 HydrophobicContact CG1-CD1 4.35Å; V208-L212 WeakPolarHBondContact O-CG 3.49Å; V208-L212 PolarHBondContact O-N 2.92Å; K209-L212 PolarHBondContact O-N 3.33Å; L212-F223 HydrophobicContact CD2-CE1 3.92Å; L212-F223 HydrophobicContact CD2-CE2 3.89Å; L212-F223 HydrophobicContact CD2-CZ 3.46Å; L212-F223 VanDerWaalsContact CD2-CZ 3.46Å; L212-I226 HydrophobicContact CD2-CG2 3.82Å; L212-I226 HydrophobicContact CG-CG2 4.13Å; L212-I230 HydrophobicContact CD1-CD1 3.92Å; L212-F244 HydrophobicContact CD1-CZ 4.5Å; L212-T252 HydrophobicContact CB-CG2 3.61Å; L212-T252 HydrophobicContact CD1-CG2 4.36Å; L212-L253 HydrophobicContact CD1-CB 4.4Å; L212-L253 HydrophobicContact CD1-CD1 4.34Å; L212-L253 HydrophobicContact CD2-CD1 4.32Å |
| 213 | Q | 87.1 | Confident | 82.2 | Confident | 100 Ų | 100 | 49 Ų | 49 | 47% | 0.467 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -77.9 | -35.1 | 175.3 | -68.8 | 179.1 | -18.7 | 0 | 0 | 113.1 | K209 T210 W211 T252 | K209-Q213 WeakPolarHBondContact O-CG 3.27Å; K209-Q213 PolarHBondContact O-N 3.2Å; T210-Q213 PolarHBondContact O-N 2.62Å; W211-Q213 PolarHBondContact O-N 3.3Å; Q213-T252 HydrophobicContact CG-CG2 3.5Å; Q213-T252 PolarHBondContact NE2-OG1 2.92Å |
| 214 | Q | 80.1 | Confident | 81.8 | Confident | 120 Ų | 120 | 49.1 Ų | 49.1 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -85.6 | -25.6 | -175.1 | -72.5 | 173.2 | -14.7 | 0 | 0 | 114 | T210 W211 S216 | T210-Q214 HydrophobicContact CG2-CG 4.4Å; T210-Q214 WeakPolarHBondContact O-CB 3.35Å; T210-Q214 VanDerWaalsContact O-CG 3.29Å; T210-Q214 WeakPolarHBondContact O-CG 3.37Å; T210-Q214 PolarHBondContact O-N 3.15Å; W211-Q214 PolarHBondContact O-N 3.34Å; W211-Q214 VanDerWaalsContact O-N 3.12Å; Q214-S216 PolarHBondContact O-N 3.36Å |
| 215 | I | 71.2 | Confident | 81.6 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 8% | 0.077 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -66.2 | 126.9 | -179.2 | -75.1 | 162.4 | 0 | 0 | 0 | 111 | F162 W211 S219 F223 I226 | F162-I215 HydrophobicContact CE2-CG1 4.23Å; F162-I215 HydrophobicContact CZ-CG1 3.78Å; W211-I215 HydrophobicContact CB-CD1 4.45Å; W211-I215 WeakPolarHBondContact O-CB 3.47Å; W211-I215 WeakPolarHBondContact O-CD1 3.4Å; W211-I215 VanDerWaalsContact O-CG1 3.24Å; W211-I215 WeakPolarHBondContact O-CG1 3.45Å; W211-I215 PolarHBondContact O-N 3.43Å; I215-S219 WeakPolarHBondContact CG2-OG 3.02Å; I215-F223 HydrophobicContact CD1-CD2 4.43Å; I215-F223 HydrophobicContact CG2-CD2 3.86Å; I215-F223 HydrophobicContact CG2-CE2 4.38Å; I215-I226 HydrophobicContact CD1-CD1 3.36Å |
| 216 | S | 67.1 | Low | 81.5 | Confident | 80 Ų | 80 | 49.7 Ų | 49.7 | 56% | 0.559 | 27% | 0.274 | S | S | * | . | trans | -75.3 | 154 | 172.5 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | Q214 P218 S219 | Q214-S216 PolarHBondContact O-N 3.36Å; S216-P218 VanDerWaalsContact C-N 3.26Å; S216-P218 WeakPolarHBondContact O-CD 3.43Å; S216-S219 PolarHBondContact O-N 3.5Å | ||
| 217 | V | 53.7 | Low | 81.4 | Confident | 73 Ų | 73 | 46 Ų | 46 | 44% | 0.442 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -18.6 | -166.1 | 163.6 | 0 | 0 | 0 | 0 | 116.9 | R259 V260 L273 | V217-R259 HydrophobicContact CG2-CB 4.29Å; V217-V260 HydrophobicContact CG1-CG1 4.24Å; V217-L273 WeakPolarHBondContact O-CD2 3.34Å |
| 218 | P | 52.6 | Low | 81.5 | Confident | 97 Ų | 97 | 45.4 Ų | 45.4 | 63% | 0.63 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.7 | 52.8 | 174.7 | 42.1 | -29.3 | 0 | 0 | 0 | 115.5 | S216 | S216-P218 VanDerWaalsContact C-N 3.26Å; S216-P218 WeakPolarHBondContact O-CD 3.43Å |
| 219 | S | 64.4 | Low | 81.7 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 21% | 0.21 | 25% | 0.25 | C | S | . | . | trans | -112.4 | 66.3 | 162 | 75.8 | 0 | 0 | 0 | 0 | 112.6 | I215 S216 E221 T222 F223 | I215-S219 WeakPolarHBondContact CG2-OG 3.02Å; S216-S219 PolarHBondContact O-N 3.5Å; S219-E221 PolarHBondContact O-N 2.9Å; S219-E221 VanDerWaalsContact O-N 3.16Å; S219-T222 PolarHBondContact O-N 3.24Å; S219-T222 PolarHBondContact O-OG1 3.08Å; S219-T222 PolarHBondContact OG-OG1 2.93Å; S219-F223 PolarHBondContact O-N 2.95Å; S219-F223 VanDerWaalsContact O-N 3.11Å | ||
| 220 | T | 67.1 | Low | 81.9 | Confident | 43 Ų | 43 | 42.9 Ų | 42.9 | 26% | 0.264 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -50.9 | -37.8 | 177 | 45.1 | 0 | 0 | 0 | 0 | 112.9 | T222 F223 Q224 L269 L273 | T220-T222 PolarHBondContact O-N 3.42Å; T220-F223 PolarHBondContact O-N 3.46Å; T220-Q224 PolarHBondContact O-N 3.21Å; T220-Q224 VanDerWaalsContact O-N 3.1Å; T220-L269 HydrophobicContact CG2-CB 4.45Å; T220-L269 HydrophobicContact CG2-CD2 4.4Å; T220-L273 HydrophobicContact CG2-CB 4.27Å |
| 221 | E | 76.2 | Confident | 82.2 | Confident | 133 Ų | 133 | 41.2 Ų | 41.2 | 62% | 0.621 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -55.4 | -49.7 | 178.6 | -63.6 | -168.5 | 175.7 | 0 | 0 | 112.9 | Y175 S219 P225 | Y175-E221 WeakPolarHBondContact OH-CB 3.31Å; Y175-E221 PolarHBondContact OH-O 3.25Å; S219-E221 PolarHBondContact O-N 2.9Å; S219-E221 VanDerWaalsContact O-N 3.16Å; E221-P225 WeakPolarHBondContact O-CD 3.28Å |
| 222 | T | 81.5 | Confident | 82.5 | Confident | 14 Ų | 14 | 42 Ų | 42 | 9% | 0.086 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -80.1 | -27.9 | 178.7 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | P161 F162 Y175 S219 T220 P225 I226 | P161-T222 HydrophobicContact CG-CG2 3.98Å; F162-T222 HydrophobicContact CE2-CG2 4.31Å; Y175-T222 HydrophobicContact CD2-CG2 4.42Å; Y175-T222 HydrophobicContact CE2-CG2 4.14Å; S219-T222 PolarHBondContact O-N 3.24Å; S219-T222 PolarHBondContact O-OG1 3.08Å; S219-T222 PolarHBondContact OG-OG1 2.93Å; T220-T222 PolarHBondContact O-N 3.42Å; T222-P225 WeakPolarHBondContact O-CD 3.44Å; T222-I226 WeakPolarHBondContact O-CG1 3.39Å |
| 223 | F | 85.9 | Confident | 82.9 | Confident | 9 Ų | 9 | 41.9 Ų | 41.9 | 4% | 0.039 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.6 | -38.6 | -175.4 | -148.1 | -73.3 | 0 | 0 | 0 | 112.3 | L212 I215 S219 T220 I226 C227 L253 A256 L273 I277 | L212-F223 HydrophobicContact CD2-CE1 3.92Å; L212-F223 HydrophobicContact CD2-CE2 3.89Å; L212-F223 HydrophobicContact CD2-CZ 3.46Å; L212-F223 VanDerWaalsContact CD2-CZ 3.46Å; I215-F223 HydrophobicContact CD1-CD2 4.43Å; I215-F223 HydrophobicContact CG2-CD2 3.86Å; I215-F223 HydrophobicContact CG2-CE2 4.38Å; S219-F223 PolarHBondContact O-N 2.95Å; S219-F223 VanDerWaalsContact O-N 3.11Å; T220-F223 PolarHBondContact O-N 3.46Å; F223-I226 PolarHBondContact O-N 2.78Å; F223-C227 VanDerWaalsContact CD1-SG 3.59Å; F223-C227 WeakPolarHBondContact CE1-SG 3.38Å; F223-C227 WeakPolarHBondContact O-CB 3.5Å; F223-C227 PolarHBondContact O-N 3.41Å; F223-L253 HydrophobicContact CE1-CD1 4.41Å; F223-A256 HydrophobicContact CE2-CB 4.47Å; F223-A256 HydrophobicContact CZ-CB 4.01Å; F223-L273 HydrophobicContact CB-CD1 3.73Å; F223-L273 HydrophobicContact CD1-CD1 3.54Å; F223-L273 HydrophobicContact CD2-CD1 4.12Å; F223-L273 HydrophobicContact CE1-CD1 4.18Å; F223-L273 HydrophobicContact CG-CD1 3.52Å; F223-I277 HydrophobicContact CD1-CG1 4.23Å; F223-I277 HydrophobicContact CE1-CD1 3.86Å; F223-I277 HydrophobicContact CE1-CG1 3.4Å; F223-I277 HydrophobicContact CZ-CD1 3.86Å; F223-I277 HydrophobicContact CZ-CG1 3.86Å |
| 224 | Q | 89.1 | Confident | 83.4 | Confident | 62 Ų | 62 | 37.1 Ų | 37.1 | 29% | 0.29 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62 | -45.3 | -178.5 | 175.3 | 178.1 | -7.2 | 0 | 0 | 113.5 | T220 C227 S228 | T220-Q224 PolarHBondContact O-N 3.21Å; T220-Q224 VanDerWaalsContact O-N 3.1Å; Q224-C227 PolarHBondContact O-N 2.91Å; Q224-S228 WeakPolarHBondContact O-CB 3.44Å; Q224-S228 PolarHBondContact O-N 2.85Å; Q224-S228 PolarHBondContact O-OG 3.41Å |
| 225 | P | 92.4 | Very high | 84.1 | Confident | 14 Ų | 14 | 32.6 Ų | 32.6 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -39 | 172.8 | -26 | 35.6 | 0 | 0 | 0 | 113.4 | W178 T179 S182 E221 T222 S228 F229 | W178-P225 HydrophobicContact CH2-CB 3.79Å; W178-P225 HydrophobicContact CZ3-CB 3.67Å; W178-P225 HydrophobicContact CZ3-CG 3.99Å; T179-P225 HydrophobicContact CG2-CG 4.03Å; S182-P225 PolarHBondContact OG-O 3.05Å; E221-P225 WeakPolarHBondContact O-CD 3.28Å; T222-P225 WeakPolarHBondContact O-CD 3.44Å; P225-S228 PolarHBondContact O-N 3.42Å; P225-F229 WeakPolarHBondContact O-CB 3.31Å; P225-F229 PolarHBondContact O-N 2.82Å |
| 226 | I | 94.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -51.3 | 175.7 | -64.3 | 173.3 | 0 | 0 | 0 | 110.7 | F160 W178 V208 W211 L212 I215 T222 F223 S228 F229 I230 | F160-I226 HydrophobicContact CE2-CD1 4.11Å; F160-I226 HydrophobicContact CZ-CD1 4.31Å; W178-I226 HydrophobicContact CH2-CG1 3.86Å; W178-I226 HydrophobicContact CZ2-CG1 4.24Å; V208-I226 HydrophobicContact CG1-CG2 3.8Å; W211-I226 HydrophobicContact CB-CD1 4.02Å; W211-I226 HydrophobicContact CE3-CD1 4.36Å; W211-I226 HydrophobicContact CE3-CG1 4.46Å; L212-I226 HydrophobicContact CD2-CG2 3.82Å; L212-I226 HydrophobicContact CG-CG2 4.13Å; I215-I226 HydrophobicContact CD1-CD1 3.36Å; T222-I226 WeakPolarHBondContact O-CG1 3.39Å; F223-I226 PolarHBondContact O-N 2.78Å; I226-S228 VanDerWaalsContact C-N 3.31Å; I226-S228 PolarHBondContact O-N 3.01Å; I226-F229 PolarHBondContact O-N 3.04Å; I226-I230 HydrophobicContact CG2-CD1 3.77Å; I226-I230 HydrophobicContact CG2-CG1 4.46Å; I226-I230 WeakPolarHBondContact O-CG1 3.19Å; I226-I230 PolarHBondContact O-N 3.26Å |
| 227 | C | 95 | Very high | 86.6 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.1 | -43.1 | 176 | -91.1 | 0 | 0 | 0 | 0 | 112.5 | F223 Q224 F229 I230 A231 V276 T280 | F223-C227 VanDerWaalsContact CD1-SG 3.59Å; F223-C227 WeakPolarHBondContact CE1-SG 3.38Å; F223-C227 WeakPolarHBondContact O-CB 3.5Å; F223-C227 PolarHBondContact O-N 3.41Å; Q224-C227 PolarHBondContact O-N 2.91Å; C227-F229 PolarHBondContact O-N 3.21Å; C227-I230 PolarHBondContact O-N 2.91Å; C227-A231 VanDerWaalsContact O-CB 3.31Å; C227-A231 WeakPolarHBondContact O-CB 3.47Å; C227-A231 PolarHBondContact O-N 3.18Å; C227-V276 HydrophobicContact CB-CG1 3.52Å; C227-T280 HydrophobicContact CB-CG2 4.35Å; C227-T280 WeakPolarHBondContact CB-OG1 3.33Å; C227-T280 PolarHBondContact SG-OG1 2.92Å |
| 228 | S | 95.6 | Very high | 88.6 | Confident | 39 Ų | 39 | 32 Ų | 32 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.2 | -44 | 177.4 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | Q224 P225 I226 M232 | Q224-S228 WeakPolarHBondContact O-CB 3.44Å; Q224-S228 PolarHBondContact O-N 2.85Å; Q224-S228 PolarHBondContact O-OG 3.41Å; P225-S228 PolarHBondContact O-N 3.42Å; I226-S228 VanDerWaalsContact C-N 3.31Å; I226-S228 PolarHBondContact O-N 3.01Å; S228-M232 VanDerWaalsContact O-CB 3.27Å; S228-M232 WeakPolarHBondContact O-CB 3.37Å; S228-M232 WeakPolarHBondContact O-CG 3.31Å; S228-M232 PolarHBondContact O-N 3.46Å |
| 229 | F | 97.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 175.7 | 174.5 | -98.9 | 0 | 0 | 0 | 112 | M153 F156 L185 C201 A204 V208 P225 I226 C227 T233 | M153-F229 HydrophobicContact SD-CE2 4.34Å; M153-F229 HydrophobicContact SD-CZ 4.25Å; F156-F229 AromaticContact CE1-CD1 3.94Å; F156-F229 HydrophobicContact CE1-CD1 3.94Å; F156-F229 HydrophobicContact CE1-CD2 4.31Å; F156-F229 AromaticContact CE1-CE1 3.93Å; F156-F229 HydrophobicContact CE1-CE1 3.93Å; F156-F229 HydrophobicContact CE1-CE2 4.3Å; F156-F229 HydrophobicContact CE1-CG 4.14Å; F156-F229 HydrophobicContact CE1-CZ 4.11Å; F156-F229 HydrophobicContact CZ-CB 4.23Å; F156-F229 AromaticContact CZ-CD1 3.93Å; F156-F229 HydrophobicContact CZ-CD1 3.93Å; F156-F229 HydrophobicContact CZ-CD2 4.21Å; F156-F229 HydrophobicContact CZ-CE1 4.39Å; F156-F229 AromaticContact CZ-CG 3.83Å; F156-F229 HydrophobicContact CZ-CG 3.83Å; L185-F229 HydrophobicContact CB-CD2 4.05Å; L185-F229 HydrophobicContact CB-CE2 4.06Å; L185-F229 HydrophobicContact CD1-CD2 4.19Å; L185-F229 HydrophobicContact CD1-CE2 3.85Å; L185-F229 HydrophobicContact CG-CE2 4.5Å; C201-F229 HydrophobicContact CB-CE2 4.19Å; C201-F229 HydrophobicContact CB-CZ 3.91Å; A204-F229 HydrophobicContact CB-CE1 3.85Å; A204-F229 HydrophobicContact CB-CZ 3.8Å; V208-F229 HydrophobicContact CG2-CD1 4.08Å; V208-F229 HydrophobicContact CG2-CE1 4.06Å; P225-F229 WeakPolarHBondContact O-CB 3.31Å; P225-F229 PolarHBondContact O-N 2.82Å; I226-F229 PolarHBondContact O-N 3.04Å; C227-F229 PolarHBondContact O-N 3.21Å; F229-T233 WeakPolarHBondContact O-CB 3.47Å; F229-T233 PolarHBondContact O-N 2.94Å; F229-T233 PolarHBondContact O-OG1 2.7Å |
| 230 | I | 98.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.8 | -58.6 | 176.9 | -64.8 | 161.1 | 0 | 0 | 0 | 109.6 | V208 L212 I226 C227 M232 T233 V234 F244 T280 | V208-I230 HydrophobicContact CG1-CD1 3.72Å; V208-I230 HydrophobicContact CG1-CG1 3.8Å; L212-I230 HydrophobicContact CD1-CD1 3.92Å; I226-I230 HydrophobicContact CG2-CD1 3.77Å; I226-I230 HydrophobicContact CG2-CG1 4.46Å; I226-I230 WeakPolarHBondContact O-CG1 3.19Å; I226-I230 PolarHBondContact O-N 3.26Å; C227-I230 PolarHBondContact O-N 2.91Å; I230-M232 VanDerWaalsContact C-N 3.34Å; I230-M232 PolarHBondContact O-N 2.71Å; I230-T233 PolarHBondContact O-N 2.94Å; I230-V234 HydrophobicContact CG2-CG1 4.27Å; I230-V234 WeakPolarHBondContact O-CG2 3.15Å; I230-V234 PolarHBondContact O-N 3.25Å; I230-F244 HydrophobicContact CD1-CE2 4.25Å; I230-F244 HydrophobicContact CD1-CZ 3.89Å; I230-F244 HydrophobicContact CG1-CE2 4.19Å; I230-F244 HydrophobicContact CG1-CZ 4.19Å; I230-F244 HydrophobicContact CG2-CD1 4.32Å; I230-F244 HydrophobicContact CG2-CE1 3.89Å; I230-F244 HydrophobicContact CG2-CE2 4.24Å; I230-F244 HydrophobicContact CG2-CZ 3.86Å; I230-T280 HydrophobicContact CB-CG2 3.76Å; I230-T280 HydrophobicContact CD1-CG2 4.43Å; I230-T280 HydrophobicContact CG2-CG2 3.61Å |
| 231 | A | 97.7 | Very high | 93.8 | Very high | 21 Ų | 21 | 30.3 Ų | 30.3 | 17% | 0.174 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.7 | -45 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C227 T233 S235 T280 A283 | C227-A231 VanDerWaalsContact O-CB 3.31Å; C227-A231 WeakPolarHBondContact O-CB 3.47Å; C227-A231 PolarHBondContact O-N 3.18Å; A231-T233 VanDerWaalsContact C-N 3.34Å; A231-T233 PolarHBondContact O-N 3Å; A231-S235 WeakPolarHBondContact O-CB 3.43Å; A231-S235 PolarHBondContact O-N 2.87Å; A231-T280 HydrophobicContact CB-CG2 4.31Å; A231-A283 HydrophobicContact CB-CB 4.02Å |
| 232 | M | 97 | Very high | 94.9 | Very high | 29 Ų | 29 | 28.5 Ų | 28.5 | 14% | 0.143 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.4 | -34 | 179 | -67.5 | -72.4 | -82.1 | 0 | 0 | 112.2 | C186 V189 N190 N191 Q198 S228 I230 | C186-M232 HydrophobicContact CB-CB 4.12Å; C186-M232 HydrophobicContact CB-CE 4.22Å; C186-M232 HydrophobicContact CB-CG 4Å; V189-M232 HydrophobicContact CG2-CB 4.41Å; N190-M232 HydrophobicContact CB-CB 4.24Å; N190-M232 HydrophobicContact CB-CE 3.78Å; N190-M232 WeakPolarHBondContact CB-O 3.49Å; N190-M232 HydrophobicContact CB-SD 4.13Å; N190-M232 PolarHBondContact ND2-O 3.44Å; N190-M232 VanDerWaalsContact ND2-O 3.12Å; N191-M232 HydrophobicContact CB-CE 4.36Å; Q198-M232 PolarHBondContact NE2-O 2.98Å; S228-M232 VanDerWaalsContact O-CB 3.27Å; S228-M232 WeakPolarHBondContact O-CB 3.37Å; S228-M232 WeakPolarHBondContact O-CG 3.31Å; S228-M232 PolarHBondContact O-N 3.46Å; I230-M232 VanDerWaalsContact C-N 3.34Å; I230-M232 PolarHBondContact O-N 2.71Å |
| 233 | T | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -74 | -42.7 | 179 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | Q198 C201 F205 F229 I230 A231 V240 | Q198-T233 WeakPolarHBondContact CB-O 2.96Å; Q198-T233 VanDerWaalsContact CD-O 3.27Å; Q198-T233 WeakPolarHBondContact CG-O 3.34Å; Q198-T233 PolarHBondContact NE2-O 3.38Å; Q198-T233 VanDerWaalsContact NE2-O 3.15Å; C201-T233 HydrophobicContact CB-CG2 3.5Å; C201-T233 VanDerWaalsContact CB-CG2 3.5Å; F205-T233 HydrophobicContact CE1-CG2 3.79Å; F205-T233 HydrophobicContact CZ-CG2 3.68Å; F229-T233 WeakPolarHBondContact O-CB 3.47Å; F229-T233 PolarHBondContact O-N 2.94Å; F229-T233 PolarHBondContact O-OG1 2.7Å; I230-T233 PolarHBondContact O-N 2.94Å; A231-T233 VanDerWaalsContact C-N 3.34Å; A231-T233 PolarHBondContact O-N 3Å; T233-V240 HydrophobicContact CG2-CG1 3.83Å; T233-V240 WeakPolarHBondContact O-CG1 3.36Å |
| 234 | V | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -83.2 | -23.3 | -177.9 | -56.1 | 0 | 0 | 0 | 0 | 114.2 | F205 I230 N236 N237 V240 Q241 F244 A283 | F205-V234 HydrophobicContact CZ-CG1 3.97Å; I230-V234 HydrophobicContact CG2-CG1 4.27Å; I230-V234 WeakPolarHBondContact O-CG2 3.15Å; I230-V234 PolarHBondContact O-N 3.25Å; V234-N236 PolarHBondContact O-N 2.99Å; V234-N237 PolarHBondContact O-N 3.21Å; V234-V240 HydrophobicContact CG1-CG1 4.24Å; V234-Q241 HydrophobicContact CB-CG 3.91Å; V234-Q241 WeakPolarHBondContact O-CG 3.46Å; V234-F244 HydrophobicContact CG1-CB 4.15Å; V234-F244 HydrophobicContact CG1-CG 4.44Å; V234-A283 HydrophobicContact CG2-CB 4.1Å; V234-A283 WeakPolarHBondContact CG2-O 3.45Å |
| 235 | S | 94.8 | Very high | 96.7 | Very high | 24 Ų | 24 | 26.8 Ų | 26.8 | 17% | 0.168 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 127.4 | -171.5 | 158.1 | 0 | 0 | 0 | 0 | 112.8 | N190 Q193 Q198 A231 N237 | N190-S235 VanDerWaalsContact ND2-CB 3.29Å; N190-S235 WeakPolarHBondContact ND2-CB 3.27Å; N190-S235 PolarHBondContact ND2-OG 3.38Å; N190-S235 VanDerWaalsContact ND2-OG 3.16Å; Q193-S235 PolarHBondContact NE2-O 3.17Å; Q198-S235 PolarHBondContact NE2-O 2.69Å; A231-S235 WeakPolarHBondContact O-CB 3.43Å; A231-S235 PolarHBondContact O-N 2.87Å; S235-N237 PolarHBondContact O-N 3.03Å |
| 236 | N | 93.1 | Very high | 97 | Very high | 74 Ų | 74 | 30.5 Ų | 30.5 | 40% | 0.396 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 30.9 | 178.3 | -52.6 | -10.1 | 0 | 0 | 0 | 114 | Q193 V234 | Q193-N236 PolarHBondContact NE2-O 2.9Å; V234-N236 PolarHBondContact O-N 2.99Å |
| 237 | N | 96.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 8% | 0.08 | 19% | 0.193 | C | C | . | . | trans | -141.5 | 91.5 | -176.6 | -170.1 | -28.6 | 0 | 0 | 0 | 111.3 | Q198 V234 S235 Y239 V240 Q241 | Q198-N237 PolarHBondContact OE1-ND2 2.64Å; V234-N237 PolarHBondContact O-N 3.21Å; S235-N237 PolarHBondContact O-N 3.03Å; N237-Y239 VanDerWaalsContact C-N 3.34Å; N237-Y239 PolarHBondContact O-N 3.31Å; N237-V240 HydrophobicContact CB-CB 4.16Å; N237-V240 HydrophobicContact CB-CG2 4.35Å; N237-V240 VanDerWaalsContact CG-CG2 3.49Å; N237-V240 WeakPolarHBondContact ND2-CG2 3.33Å; N237-V240 PolarHBondContact O-N 2.94Å; N237-V240 WeakPolarHBondContact OD1-CG2 3.35Å; N237-V240 PolarHBondContact OD1-N 3.36Å; N237-Q241 WeakPolarHBondContact O-CG 3.32Å; N237-Q241 PolarHBondContact O-N 3.1Å | ||
| 238 | S | 96.6 | Very high | 97.2 | Very high | 66 Ų | 66 | 32.7 Ų | 32.7 | 46% | 0.462 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57 | -41.7 | -175.1 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | V240 Q241 E242 | S238-V240 VanDerWaalsContact C-N 3.26Å; S238-V240 PolarHBondContact O-N 3.49Å; S238-Q241 PolarHBondContact O-N 2.96Å; S238-E242 WeakPolarHBondContact O-CB 3.18Å; S238-E242 VanDerWaalsContact O-CG 3.29Å; S238-E242 WeakPolarHBondContact O-CG 3.15Å; S238-E242 PolarHBondContact O-N 2.94Å |
| 239 | Y | 97.4 | Very high | 97.3 | Very high | 130 Ų | 130 | 30.8 Ų | 30.8 | 51% | 0.51 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.6 | -39.2 | 175.6 | 172.3 | -94.6 | 0 | 0 | 0 | 112.5 | R199 N237 S243 | R199-Y239 HydrophobicContact CG-CD1 3.72Å; R199-Y239 HydrophobicContact CG-CE1 3.77Å; N237-Y239 VanDerWaalsContact C-N 3.34Å; N237-Y239 PolarHBondContact O-N 3.31Å; Y239-S243 WeakPolarHBondContact O-CB 3.38Å; Y239-S243 PolarHBondContact O-N 3.43Å; Y239-S243 PolarHBondContact O-OG 2.88Å |
| 240 | V | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -79.8 | -35.6 | -179.5 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | Q198 R199 V202 F205 T233 V234 N237 S238 S243 F244 | Q198-V240 HydrophobicContact CB-CG2 4.15Å; R199-V240 HydrophobicContact CG-CG2 3.98Å; V202-V240 HydrophobicContact CG2-CB 4.4Å; V202-V240 HydrophobicContact CG2-CG1 3.97Å; V202-V240 HydrophobicContact CG2-CG2 3.96Å; F205-V240 HydrophobicContact CE2-CG1 3.83Å; F205-V240 WeakPolarHBondContact CE2-O 3.46Å; F205-V240 HydrophobicContact CZ-CG1 3.59Å; T233-V240 HydrophobicContact CG2-CG1 3.83Å; T233-V240 WeakPolarHBondContact O-CG1 3.36Å; V234-V240 HydrophobicContact CG1-CG1 4.24Å; N237-V240 HydrophobicContact CB-CB 4.16Å; N237-V240 HydrophobicContact CB-CG2 4.35Å; N237-V240 VanDerWaalsContact CG-CG2 3.49Å; N237-V240 WeakPolarHBondContact ND2-CG2 3.33Å; N237-V240 PolarHBondContact O-N 2.94Å; N237-V240 WeakPolarHBondContact OD1-CG2 3.35Å; N237-V240 PolarHBondContact OD1-N 3.36Å; S238-V240 VanDerWaalsContact C-N 3.26Å; S238-V240 PolarHBondContact O-N 3.49Å; V240-S243 PolarHBondContact O-N 3.35Å; V240-F244 PolarHBondContact O-N 3.43Å |
| 241 | Q | 98.4 | Very high | 97.2 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 2% | 0.023 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.6 | -50 | 168.4 | -68.4 | 170.7 | -29.6 | 0 | 0 | 111.3 | V234 N237 S238 S243 F244 A245 A283 C284 T286 N288 L291 | V234-Q241 HydrophobicContact CB-CG 3.91Å; V234-Q241 WeakPolarHBondContact O-CG 3.46Å; N237-Q241 WeakPolarHBondContact O-CG 3.32Å; N237-Q241 PolarHBondContact O-N 3.1Å; S238-Q241 PolarHBondContact O-N 2.96Å; Q241-S243 VanDerWaalsContact C-N 3.33Å; Q241-S243 PolarHBondContact O-N 2.94Å; Q241-F244 WeakPolarHBondContact O-CB 3.37Å; Q241-F244 PolarHBondContact O-N 3.26Å; Q241-F244 VanDerWaalsContact O-N 3.16Å; Q241-A245 PolarHBondContact O-N 3.15Å; Q241-A283 PolarHBondContact NE2-O 3.03Å; Q241-C284 WeakPolarHBondContact CG-O 3.28Å; Q241-T286 PolarHBondContact NE2-O 3.1Å; Q241-N288 PolarHBondContact OE1-ND2 3.43Å; Q241-L291 HydrophobicContact CB-CD1 3.71Å |
| 242 | E | 98.3 | Very high | 97.1 | Very high | 95 Ų | 95 | 34.9 Ų | 34.9 | 44% | 0.444 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 176.9 | -74.5 | 169.1 | -155.4 | 0 | 0 | 111.7 | S238 F244 A245 A246 L291 | S238-E242 WeakPolarHBondContact O-CB 3.18Å; S238-E242 VanDerWaalsContact O-CG 3.29Å; S238-E242 WeakPolarHBondContact O-CG 3.15Å; S238-E242 PolarHBondContact O-N 2.94Å; E242-F244 VanDerWaalsContact C-N 3.35Å; E242-F244 PolarHBondContact O-N 3.04Å; E242-A245 PolarHBondContact O-N 3.48Å; E242-A246 VanDerWaalsContact O-CB 3.28Å; E242-A246 WeakPolarHBondContact O-CB 3.29Å; E242-A246 PolarHBondContact O-N 3.19Å; E242-L291 HydrophobicContact CG-CD1 4.38Å |
| 243 | S | 98.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 33.5 Ų | 33.5 | 17% | 0.168 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 174.8 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | Y239 V240 Q241 C247 | Y239-S243 WeakPolarHBondContact O-CB 3.38Å; Y239-S243 PolarHBondContact O-N 3.43Å; Y239-S243 PolarHBondContact O-OG 2.88Å; V240-S243 PolarHBondContact O-N 3.35Å; Q241-S243 VanDerWaalsContact C-N 3.33Å; Q241-S243 PolarHBondContact O-N 2.94Å; S243-C247 PolarHBondContact O-N 3.12Å |
| 244 | F | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.3 | -38 | 174.7 | -173.6 | -115.3 | 0 | 0 | 0 | 112 | F205 L212 I230 V234 V240 Q241 E242 C247 G249 L250 L253 | F205-F244 HydrophobicContact CB-CD2 4.11Å; F205-F244 AromaticContact CD1-CD2 3.79Å; F205-F244 HydrophobicContact CD1-CD2 3.79Å; F205-F244 HydrophobicContact CD1-CE2 4.4Å; F205-F244 HydrophobicContact CD2-CB 3.85Å; F205-F244 AromaticContact CD2-CD2 3.98Å; F205-F244 HydrophobicContact CD2-CD2 3.98Å; F205-F244 HydrophobicContact CD2-CG 4.43Å; F205-F244 HydrophobicContact CE1-CD2 4.09Å; F205-F244 HydrophobicContact CE2-CB 3.63Å; F205-F244 HydrophobicContact CE2-CD2 4.27Å; F205-F244 HydrophobicContact CE2-CG 4.41Å; F205-F244 HydrophobicContact CG-CB 4.46Å; F205-F244 AromaticContact CG-CD2 3.72Å; F205-F244 HydrophobicContact CG-CD2 3.72Å; F205-F244 HydrophobicContact CZ-CB 4.07Å; F205-F244 HydrophobicContact CZ-CD2 4.31Å; L212-F244 HydrophobicContact CD1-CZ 4.5Å; I230-F244 HydrophobicContact CD1-CE2 4.25Å; I230-F244 HydrophobicContact CD1-CZ 3.89Å; I230-F244 HydrophobicContact CG1-CE2 4.19Å; I230-F244 HydrophobicContact CG1-CZ 4.19Å; I230-F244 HydrophobicContact CG2-CD1 4.32Å; I230-F244 HydrophobicContact CG2-CE1 3.89Å; I230-F244 HydrophobicContact CG2-CE2 4.24Å; I230-F244 HydrophobicContact CG2-CZ 3.86Å; V234-F244 HydrophobicContact CG1-CB 4.15Å; V234-F244 HydrophobicContact CG1-CG 4.44Å; V240-F244 PolarHBondContact O-N 3.43Å; Q241-F244 WeakPolarHBondContact O-CB 3.37Å; Q241-F244 PolarHBondContact O-N 3.26Å; Q241-F244 VanDerWaalsContact O-N 3.16Å; E242-F244 VanDerWaalsContact C-N 3.35Å; E242-F244 PolarHBondContact O-N 3.04Å; F244-C247 PolarHBondContact O-SG 3.17Å; F244-G249 WeakPolarHBondContact CZ-O 3.08Å; F244-G249 WeakPolarHBondContact O-CA 3.36Å; F244-G249 PolarHBondContact O-N 3.03Å; F244-L250 HydrophobicContact CD1-CB 4.2Å; F244-L250 HydrophobicContact CE1-CB 4.38Å; F244-L250 PolarHBondContact O-N 3.3Å; F244-L253 HydrophobicContact CE1-CD2 4.3Å |
| 245 | A | 98 | Very high | 96.8 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q241 E242 C247 G248 L250 L291 | Q241-A245 PolarHBondContact O-N 3.15Å; E242-A245 PolarHBondContact O-N 3.48Å; A245-C247 VanDerWaalsContact C-N 3.3Å; A245-C247 PolarHBondContact O-N 3.3Å; A245-G248 WeakPolarHBondContact O-CA 3.35Å; A245-G248 PolarHBondContact O-N 3.12Å; A245-L250 HydrophobicContact CB-CB 4.16Å; A245-L250 HydrophobicContact CB-CD2 4.08Å; A245-L291 HydrophobicContact CB-CD1 4.27Å; A245-L291 HydrophobicContact CB-CD2 3.47Å; A245-L291 VanDerWaalsContact CB-CD2 3.47Å; A245-L291 HydrophobicContact CB-CG 4.5Å |
| 246 | A | 98 | Very high | 96.7 | Very high | 91 Ų | 91 | 35.3 Ų | 35.3 | 75% | 0.752 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -62.5 | -31 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E242 G248 | E242-A246 VanDerWaalsContact O-CB 3.28Å; E242-A246 WeakPolarHBondContact O-CB 3.29Å; E242-A246 PolarHBondContact O-N 3.19Å; A246-G248 PolarHBondContact O-N 3.23Å |
| 247 | C | 97.1 | Very high | 96.6 | Very high | 36 Ų | 36 | 31.8 Ų | 31.8 | 24% | 0.243 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -4.7 | 172.2 | 79.6 | 0 | 0 | 0 | 0 | 113.7 | K209 S243 F244 A245 G249 | K209-C247 WeakPolarHBondContact CD-O 3.21Å; K209-C247 PolarHBondContact NZ-O 3.07Å; S243-C247 PolarHBondContact O-N 3.12Å; F244-C247 PolarHBondContact O-SG 3.17Å; A245-C247 VanDerWaalsContact C-N 3.3Å; A245-C247 PolarHBondContact O-N 3.3Å; C247-G249 PolarHBondContact SG-N 2.98Å |
| 248 | G | 97.1 | Very high | 96.4 | Very high | 11 Ų | 11 | 33.1 Ų | 33.1 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 22 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A245 A246 T252 | A245-G248 WeakPolarHBondContact O-CA 3.35Å; A245-G248 PolarHBondContact O-N 3.12Å; A246-G248 PolarHBondContact O-N 3.23Å; G248-T252 WeakPolarHBondContact O-CB 3.5Å; G248-T252 PolarHBondContact O-N 2.9Å; G248-T252 PolarHBondContact O-OG1 3.32Å |
| 249 | G | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.9 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | F244 C247 T252 L253 | F244-G249 WeakPolarHBondContact CZ-O 3.08Å; F244-G249 WeakPolarHBondContact O-CA 3.36Å; F244-G249 PolarHBondContact O-N 3.03Å; C247-G249 PolarHBondContact SG-N 2.98Å; G249-T252 WeakPolarHBondContact O-CB 3.47Å; G249-T252 PolarHBondContact O-N 2.88Å; G249-L253 WeakPolarHBondContact O-CB 3.29Å; G249-L253 PolarHBondContact O-N 2.78Å |
| 250 | L | 97.4 | Very high | 95.7 | Very high | 12 Ų | 12 | 30 Ų | 30 | 6% | 0.063 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -50.4 | 178.3 | -179.4 | 56.1 | 0 | 0 | 0 | 112.2 | F244 A245 T252 L253 T254 L281 C284 I285 L291 L295 | F244-L250 HydrophobicContact CD1-CB 4.2Å; F244-L250 HydrophobicContact CE1-CB 4.38Å; F244-L250 PolarHBondContact O-N 3.3Å; A245-L250 HydrophobicContact CB-CB 4.16Å; A245-L250 HydrophobicContact CB-CD2 4.08Å; L250-T252 VanDerWaalsContact C-N 3.32Å; L250-T252 PolarHBondContact O-N 3.4Å; L250-L253 PolarHBondContact O-N 2.82Å; L250-T254 PolarHBondContact O-N 3.43Å; L250-T254 PolarHBondContact O-OG1 3.31Å; L250-L281 HydrophobicContact CD1-CD2 3.73Å; L250-C284 HydrophobicContact CD1-CB 3.8Å; L250-I285 HydrophobicContact CD1-CG2 4.39Å; L250-I285 HydrophobicContact CD2-CG2 4.4Å; L250-L291 HydrophobicContact CD2-CB 4.07Å; L250-L291 HydrophobicContact CD2-CD2 4.45Å; L250-L295 HydrophobicContact CD1-CD1 4.31Å; L250-L295 HydrophobicContact CD1-CD2 4.29Å; L250-L295 HydrophobicContact CD2-CD2 4.3Å; L250-L295 HydrophobicContact CG-CD2 3.98Å |
| 251 | E | 96.4 | Very high | 95.3 | Very high | 86 Ų | 86 | 30 Ų | 30 | 40% | 0.402 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -54.7 | -47.6 | 172.2 | 165.5 | 175.2 | -143.3 | 0 | 0 | 111.7 | L253 T254 L255 Y298 | E251-L253 VanDerWaalsContact C-N 3.29Å; E251-L253 PolarHBondContact O-N 2.69Å; E251-T254 PolarHBondContact O-N 3.46Å; E251-L255 HydrophobicContact CG-CD1 3.91Å; E251-L255 HydrophobicContact CG-CG 4.35Å; E251-L255 WeakPolarHBondContact O-CG 3.48Å; E251-L255 PolarHBondContact O-N 3.25Å; E251-Y298 VanDerWaalsContact CD-OH 3.25Å; E251-Y298 HydrophobicContact CG-CE1 4.32Å; E251-Y298 VanDerWaalsContact CG-OH 3.25Å; E251-Y298 WeakPolarHBondContact CG-OH 3.48Å; E251-Y298 PolarHBondContact OE1-OH 2.88Å |
| 252 | T | 95.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -40 | -178.9 | -64 | 0 | 0 | 0 | 0 | 111.6 | K209 L212 Q213 G248 G249 L250 L255 A256 | K209-T252 HydrophobicContact CG-CG2 4.31Å; L212-T252 HydrophobicContact CB-CG2 3.61Å; L212-T252 HydrophobicContact CD1-CG2 4.36Å; Q213-T252 HydrophobicContact CG-CG2 3.5Å; Q213-T252 PolarHBondContact NE2-OG1 2.92Å; G248-T252 WeakPolarHBondContact O-CB 3.5Å; G248-T252 PolarHBondContact O-N 2.9Å; G248-T252 PolarHBondContact O-OG1 3.32Å; G249-T252 WeakPolarHBondContact O-CB 3.47Å; G249-T252 PolarHBondContact O-N 2.88Å; L250-T252 VanDerWaalsContact C-N 3.32Å; L250-T252 PolarHBondContact O-N 3.4Å; T252-L255 PolarHBondContact O-N 2.9Å; T252-A256 WeakPolarHBondContact O-CB 3.44Å; T252-A256 PolarHBondContact O-N 2.74Å |
| 253 | L | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68 | -39.6 | 177 | -174.8 | 63.5 | 0 | 0 | 0 | 111.8 | L212 F223 F244 G249 L250 E251 A256 L257 I277 T280 L281 | L212-L253 HydrophobicContact CD1-CB 4.4Å; L212-L253 HydrophobicContact CD1-CD1 4.34Å; L212-L253 HydrophobicContact CD2-CD1 4.32Å; F223-L253 HydrophobicContact CE1-CD1 4.41Å; F244-L253 HydrophobicContact CE1-CD2 4.3Å; G249-L253 WeakPolarHBondContact O-CB 3.29Å; G249-L253 PolarHBondContact O-N 2.78Å; L250-L253 PolarHBondContact O-N 2.82Å; E251-L253 VanDerWaalsContact C-N 3.29Å; E251-L253 PolarHBondContact O-N 2.69Å; L253-A256 WeakPolarHBondContact O-CB 3.43Å; L253-A256 PolarHBondContact O-N 2.98Å; L253-L257 PolarHBondContact O-N 3.28Å; L253-I277 HydrophobicContact CD1-CG1 4.4Å; L253-I277 HydrophobicContact CD1-CG2 3.81Å; L253-I277 HydrophobicContact CG-CG2 4.02Å; L253-T280 HydrophobicContact CD2-CG2 3.57Å; L253-L281 HydrophobicContact CB-CD2 4.1Å; L253-L281 HydrophobicContact CD2-CD2 3.76Å; L253-L281 HydrophobicContact CD2-CG 3.96Å; L253-L281 HydrophobicContact CG-CD2 3.79Å; L253-L281 HydrophobicContact CG-CG 3.99Å |
| 254 | T | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 172.8 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | L250 E251 A256 L257 L258 L281 L295 Y298 | L250-T254 PolarHBondContact O-N 3.43Å; L250-T254 PolarHBondContact O-OG1 3.31Å; E251-T254 PolarHBondContact O-N 3.46Å; T254-A256 PolarHBondContact O-N 3.03Å; T254-L257 WeakPolarHBondContact O-CB 3.41Å; T254-L257 PolarHBondContact O-N 3.09Å; T254-L258 HydrophobicContact CG2-CD1 4.15Å; T254-L258 WeakPolarHBondContact O-CD1 3.43Å; T254-L258 PolarHBondContact O-N 3.38Å; T254-L281 WeakPolarHBondContact OG1-CD2 3.39Å; T254-L295 HydrophobicContact CG2-CD2 4.41Å; T254-L295 VanDerWaalsContact OG1-CD2 3.31Å; T254-L295 WeakPolarHBondContact OG1-CD2 3.37Å; T254-Y298 HydrophobicContact CG2-CD2 3.97Å; T254-Y298 HydrophobicContact CG2-CG 3.83Å |
| 255 | L | 93.4 | Very high | 93.1 | Very high | 56 Ų | 56 | 31.6 Ų | 31.6 | 29% | 0.293 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.6 | -30.3 | 175.6 | -67.3 | 175.4 | 0 | 0 | 0 | 112.4 | E251 T252 L258 R259 Y298 | E251-L255 HydrophobicContact CG-CD1 3.91Å; E251-L255 HydrophobicContact CG-CG 4.35Å; E251-L255 WeakPolarHBondContact O-CG 3.48Å; E251-L255 PolarHBondContact O-N 3.25Å; T252-L255 PolarHBondContact O-N 2.9Å; L255-L258 HydrophobicContact CD2-CD2 4.46Å; L255-R259 WeakPolarHBondContact O-CD 3.39Å; L255-R259 VanDerWaalsContact O-CG 3.28Å; L255-R259 WeakPolarHBondContact O-CG 3.45Å; L255-R259 PolarHBondContact O-N 3.03Å; L255-Y298 HydrophobicContact CD2-CD1 4.23Å; L255-Y298 HydrophobicContact CD2-CE1 4.29Å |
| 256 | A | 92 | Very high | 92.5 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -42.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | F223 T252 L253 T254 R259 V260 I277 | F223-A256 HydrophobicContact CE2-CB 4.47Å; F223-A256 HydrophobicContact CZ-CB 4.01Å; T252-A256 WeakPolarHBondContact O-CB 3.44Å; T252-A256 PolarHBondContact O-N 2.74Å; L253-A256 WeakPolarHBondContact O-CB 3.43Å; L253-A256 PolarHBondContact O-N 2.98Å; T254-A256 PolarHBondContact O-N 3.03Å; A256-R259 PolarHBondContact O-N 2.89Å; A256-V260 PolarHBondContact O-N 3.41Å; A256-I277 HydrophobicContact CB-CD1 4.45Å |
| 257 | L | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57 | -51 | 173.2 | -177.5 | 58.6 | 0 | 0 | 0 | 111.2 | L253 T254 R259 V260 V261 I277 V278 L281 L300 L304 | L253-L257 PolarHBondContact O-N 3.28Å; T254-L257 WeakPolarHBondContact O-CB 3.41Å; T254-L257 PolarHBondContact O-N 3.09Å; L257-R259 PolarHBondContact O-N 2.93Å; L257-V260 HydrophobicContact CD1-CG2 4.33Å; L257-V260 VanDerWaalsContact O-CG2 3.3Å; L257-V260 WeakPolarHBondContact O-CG2 3.47Å; L257-V260 PolarHBondContact O-N 3.01Å; L257-V261 HydrophobicContact CD1-CB 4.1Å; L257-V261 HydrophobicContact CD1-CG2 4.45Å; L257-V261 HydrophobicContact CG-CB 4.36Å; L257-V261 VanDerWaalsContact O-CB 3.31Å; L257-V261 WeakPolarHBondContact O-CB 3.23Å; L257-V261 WeakPolarHBondContact O-CG1 3.48Å; L257-V261 PolarHBondContact O-N 3.48Å; L257-I277 HydrophobicContact CB-CG2 3.67Å; L257-I277 HydrophobicContact CD1-CB 4.25Å; L257-I277 HydrophobicContact CD1-CG2 4.24Å; L257-I277 HydrophobicContact CG-CG2 4.39Å; L257-V278 HydrophobicContact CD1-CG2 3.92Å; L257-V278 HydrophobicContact CD2-CG2 3.76Å; L257-L281 HydrophobicContact CB-CD1 4.3Å; L257-L281 HydrophobicContact CD2-CD1 3.76Å; L257-L300 HydrophobicContact CD2-CD1 3.64Å; L257-L304 HydrophobicContact CD2-CD2 4.34Å |
| 258 | L | 92.1 | Very high | 91.5 | Very high | 43 Ų | 43 | 37.5 Ų | 37.5 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.6 | -34.2 | -177.8 | -92.7 | 56.2 | 0 | 0 | 0 | 112.7 | T254 L255 | T254-L258 HydrophobicContact CG2-CD1 4.15Å; T254-L258 WeakPolarHBondContact O-CD1 3.43Å; T254-L258 PolarHBondContact O-N 3.38Å; L255-L258 HydrophobicContact CD2-CD2 4.46Å |
| 259 | R | 88.4 | Confident | 91 | Very high | 126 Ų | 126 | 41.4 Ų | 41.4 | 48% | 0.475 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.3 | -35.7 | 176.1 | -68.1 | 165.7 | -167.5 | 176 | 3.2 | 113.5 | V217 L255 A256 L257 | V217-R259 HydrophobicContact CG2-CB 4.29Å; L255-R259 WeakPolarHBondContact O-CD 3.39Å; L255-R259 VanDerWaalsContact O-CG 3.28Å; L255-R259 WeakPolarHBondContact O-CG 3.45Å; L255-R259 PolarHBondContact O-N 3.03Å; A256-R259 PolarHBondContact O-N 2.89Å; L257-R259 PolarHBondContact O-N 2.93Å |
| 260 | V | 89.1 | Confident | 90.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -91.8 | -34.6 | -175.4 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | V217 A256 L257 S262 A263 S270 L273 S274 I277 | V217-V260 HydrophobicContact CG1-CG1 4.24Å; A256-V260 PolarHBondContact O-N 3.41Å; L257-V260 HydrophobicContact CD1-CG2 4.33Å; L257-V260 VanDerWaalsContact O-CG2 3.3Å; L257-V260 WeakPolarHBondContact O-CG2 3.47Å; L257-V260 PolarHBondContact O-N 3.01Å; V260-S262 VanDerWaalsContact C-N 3.29Å; V260-S262 PolarHBondContact O-N 3.38Å; V260-A263 PolarHBondContact O-N 3.18Å; V260-A263 VanDerWaalsContact O-N 3.09Å; V260-S270 PolarHBondContact O-OG 2.81Å; V260-L273 HydrophobicContact CB-CD2 4.46Å; V260-L273 HydrophobicContact CG1-CD2 3.71Å; V260-L273 HydrophobicContact CG1-CG 4.2Å; V260-L273 HydrophobicContact CG2-CG 4.48Å; V260-S274 WeakPolarHBondContact CG2-OG 3.48Å; V260-I277 HydrophobicContact CG2-CD1 3.68Å |
| 261 | V | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -31.5 | -168.1 | 71.6 | 0 | 0 | 0 | 0 | 113 | L257 A263 A264 S274 H303 F306 L307 | L257-V261 HydrophobicContact CD1-CB 4.1Å; L257-V261 HydrophobicContact CD1-CG2 4.45Å; L257-V261 HydrophobicContact CG-CB 4.36Å; L257-V261 VanDerWaalsContact O-CB 3.31Å; L257-V261 WeakPolarHBondContact O-CB 3.23Å; L257-V261 WeakPolarHBondContact O-CG1 3.48Å; L257-V261 PolarHBondContact O-N 3.48Å; V261-A263 PolarHBondContact O-N 3.23Å; V261-A264 WeakPolarHBondContact O-CB 3.42Å; V261-A264 PolarHBondContact O-N 2.73Å; V261-S274 WeakPolarHBondContact CA-OG 3.38Å; V261-H303 HydrophobicContact CG1-CB 3.95Å; V261-H303 WeakPolarHBondContact CG1-ND1 3.43Å; V261-H303 HydrophobicContact CG2-CB 4.42Å; V261-H303 WeakPolarHBondContact CG2-O 3.43Å; V261-F306 HydrophobicContact CG2-CD1 4.29Å; V261-F306 WeakPolarHBondContact O-CE1 3.46Å; V261-L307 HydrophobicContact CG2-CB 4.14Å |
| 262 | S | 88.1 | Confident | 89.9 | Confident | 88 Ų | 88 | 42.2 Ų | 42.2 | 62% | 0.615 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -29.3 | 176.5 | 59.1 | 0 | 0 | 0 | 0 | 113.4 | V260 | V260-S262 VanDerWaalsContact C-N 3.29Å; V260-S262 PolarHBondContact O-N 3.38Å |
| 263 | A | 87.3 | Confident | 89.6 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V260 V261 G265 T266 S267 | V260-A263 PolarHBondContact O-N 3.18Å; V260-A263 VanDerWaalsContact O-N 3.09Å; V261-A263 PolarHBondContact O-N 3.23Å; A263-G265 PolarHBondContact O-N 2.9Å; A263-T266 PolarHBondContact O-N 3.24Å; A263-T266 VanDerWaalsContact O-N 3.13Å; A263-T266 PolarHBondContact O-OG1 3.03Å; A263-S267 WeakPolarHBondContact O-CB 3.46Å; A263-S267 PolarHBondContact O-N 3.11Å |
| 264 | A | 86.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V261 R271 L307 | V261-A264 WeakPolarHBondContact O-CB 3.42Å; V261-A264 PolarHBondContact O-N 2.73Å; A264-R271 HydrophobicContact CB-CB 4.11Å; A264-R271 HydrophobicContact CB-CG 4.38Å; A264-R271 VanDerWaalsContact O-CZ 3.24Å; A264-R271 PolarHBondContact O-NE 2.81Å; A264-R271 PolarHBondContact O-NH2 2.76Å; A264-L307 HydrophobicContact CB-CD1 3.79Å |
| 265 | G | 84.6 | Confident | 89.3 | Confident | 37 Ų | 37 | 42.3 Ų | 42.3 | 38% | 0.381 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -41.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A263 R271 | A263-G265 PolarHBondContact O-N 2.9Å; G265-R271 PolarHBondContact O-NH2 2.93Å |
| 266 | T | 86.2 | Confident | 89.3 | Confident | 133 Ų | 133 | 41.1 Ų | 41.1 | 82% | 0.816 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -25.6 | -170.7 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | A263 | A263-T266 PolarHBondContact O-N 3.24Å; A263-T266 VanDerWaalsContact O-N 3.13Å; A263-T266 PolarHBondContact O-OG1 3.03Å |
| 267 | S | 87.9 | Confident | 89.4 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 29% | 0.287 | 23% | 0.234 | S | C | . | . | trans | -114.6 | 121.4 | -175.5 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | A263 S270 R271 | A263-S267 WeakPolarHBondContact O-CB 3.46Å; A263-S267 PolarHBondContact O-N 3.11Å; S267-S270 PolarHBondContact O-N 3.38Å; S267-S270 PolarHBondContact OG-N 3.02Å; S267-R271 PolarHBondContact O-N 2.97Å | ||
| 268 | L | 86.9 | Confident | 89.6 | Confident | 103 Ų | 103 | 40.9 Ų | 40.9 | 54% | 0.539 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.5 | -44.9 | 174.6 | 177.1 | 62.4 | 0 | 0 | 0 | 111.9 | S270 R271 Q272 | L268-S270 VanDerWaalsContact C-N 3.3Å; L268-S270 PolarHBondContact O-N 3.35Å; L268-R271 WeakPolarHBondContact O-CB 3.32Å; L268-R271 PolarHBondContact O-N 3.15Å; L268-Q272 HydrophobicContact CD1-CG 4.28Å; L268-Q272 WeakPolarHBondContact O-CG 3.42Å; L268-Q272 PolarHBondContact O-N 3.22Å |
| 269 | L | 85.9 | Confident | 89.8 | Confident | 92 Ų | 92 | 42.6 Ų | 42.6 | 48% | 0.482 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 178.8 | -67.2 | 173.5 | 0 | 0 | 0 | 111.2 | T220 Q272 L273 | T220-L269 HydrophobicContact CG2-CB 4.45Å; T220-L269 HydrophobicContact CG2-CD2 4.4Å; L269-Q272 PolarHBondContact O-N 2.87Å; L269-L273 VanDerWaalsContact O-CB 3.25Å; L269-L273 WeakPolarHBondContact O-CB 3.35Å; L269-L273 PolarHBondContact O-N 3.08Å |
| 270 | S | 88.3 | Confident | 90.2 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 6% | 0.056 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.7 | -35.4 | 178.9 | -143.6 | 0 | 0 | 0 | 0 | 112.1 | V260 S267 L268 S274 | V260-S270 PolarHBondContact O-OG 2.81Å; S267-S270 PolarHBondContact O-N 3.38Å; S267-S270 PolarHBondContact OG-N 3.02Å; L268-S270 VanDerWaalsContact C-N 3.3Å; L268-S270 PolarHBondContact O-N 3.35Å; S270-S274 WeakPolarHBondContact O-CB 3.37Å; S270-S274 PolarHBondContact O-N 2.95Å; S270-S274 PolarHBondContact O-OG 3.01Å |
| 271 | R | 90 | Very high | 90.6 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -49.7 | 171.7 | -167.6 | -178 | -52.3 | 111.5 | 10.8 | 112.1 | A264 G265 S267 L268 L273 S274 V275 L307 H312 L313 | A264-R271 HydrophobicContact CB-CB 4.11Å; A264-R271 HydrophobicContact CB-CG 4.38Å; A264-R271 VanDerWaalsContact O-CZ 3.24Å; A264-R271 PolarHBondContact O-NE 2.81Å; A264-R271 PolarHBondContact O-NH2 2.76Å; G265-R271 PolarHBondContact O-NH2 2.93Å; S267-R271 PolarHBondContact O-N 2.97Å; L268-R271 WeakPolarHBondContact O-CB 3.32Å; L268-R271 PolarHBondContact O-N 3.15Å; R271-L273 VanDerWaalsContact C-N 3.34Å; R271-L273 PolarHBondContact O-N 2.84Å; R271-S274 WeakPolarHBondContact O-CB 3.49Å; R271-S274 PolarHBondContact O-N 3.29Å; R271-V275 WeakPolarHBondContact O-CG2 3.46Å; R271-V275 PolarHBondContact O-N 3.33Å; R271-L307 HydrophobicContact CG-CD1 3.87Å; R271-H312 WeakPolarHBondContact CD-O 3.22Å; R271-H312 VanDerWaalsContact NH1-CB 3.34Å; R271-L313 HydrophobicContact CG-CD1 4.28Å |
| 272 | Q | 89.6 | Confident | 90.8 | Very high | 93 Ų | 93 | 37.8 Ų | 37.8 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 176.8 | -72.9 | 174.4 | -34.1 | 0 | 0 | 111.5 | L268 L269 V275 V276 | L268-Q272 HydrophobicContact CD1-CG 4.28Å; L268-Q272 WeakPolarHBondContact O-CG 3.42Å; L268-Q272 PolarHBondContact O-N 3.22Å; L269-Q272 PolarHBondContact O-N 2.87Å; Q272-V275 PolarHBondContact O-N 3.45Å; Q272-V276 WeakPolarHBondContact O-CG2 3.42Å; Q272-V276 PolarHBondContact O-N 3.29Å |
| 273 | L | 89.9 | Confident | 91.2 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 176.6 | -176.8 | 54.2 | 0 | 0 | 0 | 112.3 | V217 T220 F223 V260 L269 R271 V275 V276 I277 | V217-L273 WeakPolarHBondContact O-CD2 3.34Å; T220-L273 HydrophobicContact CG2-CB 4.27Å; F223-L273 HydrophobicContact CB-CD1 3.73Å; F223-L273 HydrophobicContact CD1-CD1 3.54Å; F223-L273 HydrophobicContact CD2-CD1 4.12Å; F223-L273 HydrophobicContact CE1-CD1 4.18Å; F223-L273 HydrophobicContact CG-CD1 3.52Å; V260-L273 HydrophobicContact CB-CD2 4.46Å; V260-L273 HydrophobicContact CG1-CD2 3.71Å; V260-L273 HydrophobicContact CG1-CG 4.2Å; V260-L273 HydrophobicContact CG2-CG 4.48Å; L269-L273 VanDerWaalsContact O-CB 3.25Å; L269-L273 WeakPolarHBondContact O-CB 3.35Å; L269-L273 PolarHBondContact O-N 3.08Å; R271-L273 VanDerWaalsContact C-N 3.34Å; R271-L273 PolarHBondContact O-N 2.84Å; L273-V275 VanDerWaalsContact C-N 3.34Å; L273-V275 PolarHBondContact O-N 3.47Å; L273-V276 PolarHBondContact O-N 3.18Å; L273-I277 HydrophobicContact CD1-CD1 4.24Å; L273-I277 HydrophobicContact CD1-CG1 4.49Å; L273-I277 HydrophobicContact CG-CD1 4.09Å; L273-I277 WeakPolarHBondContact O-CG1 3.12Å; L273-I277 PolarHBondContact O-N 2.8Å |
| 274 | S | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.7 | -47.1 | 175.1 | -57.9 | 0 | 0 | 0 | 0 | 111 | V260 V261 S270 R271 V276 I277 V278 | V260-S274 WeakPolarHBondContact CG2-OG 3.48Å; V261-S274 WeakPolarHBondContact CA-OG 3.38Å; S270-S274 WeakPolarHBondContact O-CB 3.37Å; S270-S274 PolarHBondContact O-N 2.95Å; S270-S274 PolarHBondContact O-OG 3.01Å; R271-S274 WeakPolarHBondContact O-CB 3.49Å; R271-S274 PolarHBondContact O-N 3.29Å; S274-V276 PolarHBondContact O-N 2.88Å; S274-I277 PolarHBondContact O-N 2.96Å; S274-V278 VanDerWaalsContact O-CG2 3.29Å; S274-V278 WeakPolarHBondContact O-CG2 3.47Å; S274-V278 PolarHBondContact O-N 3.09Å |
| 275 | V | 92.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 177 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | R271 Q272 L273 I277 V278 K279 L307 L313 D317 | R271-V275 WeakPolarHBondContact O-CG2 3.46Å; R271-V275 PolarHBondContact O-N 3.33Å; Q272-V275 PolarHBondContact O-N 3.45Å; L273-V275 VanDerWaalsContact C-N 3.34Å; L273-V275 PolarHBondContact O-N 3.47Å; V275-I277 VanDerWaalsContact C-N 3.31Å; V275-I277 PolarHBondContact O-N 3.44Å; V275-V278 PolarHBondContact O-N 3.37Å; V275-K279 HydrophobicContact CG1-CD 3.95Å; V275-K279 HydrophobicContact CG1-CG 4.43Å; V275-K279 WeakPolarHBondContact O-CG 3.39Å; V275-K279 PolarHBondContact O-N 3.41Å; V275-L307 HydrophobicContact CG2-CD2 4.12Å; V275-L313 HydrophobicContact CG2-CD1 3.63Å; V275-D317 HydrophobicContact CG1-CB 3.88Å; V275-D317 WeakPolarHBondContact CG1-OD1 3.37Å; V275-D317 HydrophobicContact CG2-CB 4.01Å |
| 276 | V | 93.1 | Very high | 92.7 | Very high | 30 Ų | 30 | 33 Ų | 33 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 177.1 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | C227 Q272 L273 S274 T280 | C227-V276 HydrophobicContact CB-CG1 3.52Å; Q272-V276 WeakPolarHBondContact O-CG2 3.42Å; Q272-V276 PolarHBondContact O-N 3.29Å; L273-V276 PolarHBondContact O-N 3.18Å; S274-V276 PolarHBondContact O-N 2.88Å; V276-T280 PolarHBondContact O-N 2.94Å; V276-T280 VanDerWaalsContact O-N 3.17Å; V276-T280 PolarHBondContact O-OG1 3.28Å |
| 277 | I | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -45.4 | 174.1 | -65.5 | 159.2 | 0 | 0 | 0 | 111.1 | F223 L253 A256 L257 V260 L273 S274 V275 K279 T280 L281 | F223-I277 HydrophobicContact CD1-CG1 4.23Å; F223-I277 HydrophobicContact CE1-CD1 3.86Å; F223-I277 HydrophobicContact CE1-CG1 3.4Å; F223-I277 HydrophobicContact CZ-CD1 3.86Å; F223-I277 HydrophobicContact CZ-CG1 3.86Å; L253-I277 HydrophobicContact CD1-CG1 4.4Å; L253-I277 HydrophobicContact CD1-CG2 3.81Å; L253-I277 HydrophobicContact CG-CG2 4.02Å; A256-I277 HydrophobicContact CB-CD1 4.45Å; L257-I277 HydrophobicContact CB-CG2 3.67Å; L257-I277 HydrophobicContact CD1-CB 4.25Å; L257-I277 HydrophobicContact CD1-CG2 4.24Å; L257-I277 HydrophobicContact CG-CG2 4.39Å; V260-I277 HydrophobicContact CG2-CD1 3.68Å; L273-I277 HydrophobicContact CD1-CD1 4.24Å; L273-I277 HydrophobicContact CD1-CG1 4.49Å; L273-I277 HydrophobicContact CG-CD1 4.09Å; L273-I277 WeakPolarHBondContact O-CG1 3.12Å; L273-I277 PolarHBondContact O-N 2.8Å; S274-I277 PolarHBondContact O-N 2.96Å; V275-I277 VanDerWaalsContact C-N 3.31Å; V275-I277 PolarHBondContact O-N 3.44Å; I277-K279 PolarHBondContact O-N 3.24Å; I277-T280 CarbonylContact O-C 3.56Å; I277-T280 WeakPolarHBondContact O-CA 3.49Å; I277-T280 WeakPolarHBondContact O-CB 3.45Å; I277-T280 PolarHBondContact O-N 3.11Å; I277-L281 HydrophobicContact CG2-CD1 3.88Å; I277-L281 HydrophobicContact CG2-CG 4.16Å; I277-L281 PolarHBondContact O-N 2.96Å |
| 278 | V | 96.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 178.9 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | L257 S274 V275 T280 L281 S282 L304 L307 V321 A324 | L257-V278 HydrophobicContact CD1-CG2 3.92Å; L257-V278 HydrophobicContact CD2-CG2 3.76Å; S274-V278 VanDerWaalsContact O-CG2 3.29Å; S274-V278 WeakPolarHBondContact O-CG2 3.47Å; S274-V278 PolarHBondContact O-N 3.09Å; V275-V278 PolarHBondContact O-N 3.37Å; V278-T280 PolarHBondContact O-N 3.16Å; V278-L281 PolarHBondContact O-N 3.36Å; V278-S282 WeakPolarHBondContact O-CB 3.47Å; V278-S282 PolarHBondContact O-N 3.13Å; V278-L304 HydrophobicContact CB-CD2 4.26Å; V278-L304 HydrophobicContact CG1-CD2 3.77Å; V278-L304 HydrophobicContact CG2-CD2 3.41Å; V278-L304 VanDerWaalsContact CG2-CD2 3.41Å; V278-L307 HydrophobicContact CG2-CD2 4.04Å; V278-V321 HydrophobicContact CG1-CG2 4.29Å; V278-A324 HydrophobicContact CG1-CB 3.63Å |
| 279 | K | 95.9 | Very high | 93.8 | Very high | 79 Ų | 79 | 31 Ų | 31 | 34% | 0.343 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.1 | -32.4 | 173.8 | -73 | 170.5 | 179.5 | 169.3 | 0 | 112.4 | V275 I277 A283 D317 S320 | V275-K279 HydrophobicContact CG1-CD 3.95Å; V275-K279 HydrophobicContact CG1-CG 4.43Å; V275-K279 WeakPolarHBondContact O-CG 3.39Å; V275-K279 PolarHBondContact O-N 3.41Å; I277-K279 PolarHBondContact O-N 3.24Å; K279-A283 PolarHBondContact O-N 2.71Å; K279-D317 IonicContact NZ-OD1 2.91Å; K279-D317 PolarHBondContact NZ-OD1 3Å; K279-S320 VanDerWaalsContact CE-CB 3.49Å; K279-S320 WeakPolarHBondContact CE-OG 3.18Å |
| 280 | T | 97.2 | Very high | 94.3 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -77.2 | -43.4 | 177.5 | -50.3 | 0 | 0 | 0 | 0 | 111.7 | C227 I230 A231 L253 V276 I277 V278 S282 A283 C284 | C227-T280 HydrophobicContact CB-CG2 4.35Å; C227-T280 WeakPolarHBondContact CB-OG1 3.33Å; C227-T280 PolarHBondContact SG-OG1 2.92Å; I230-T280 HydrophobicContact CB-CG2 3.76Å; I230-T280 HydrophobicContact CD1-CG2 4.43Å; I230-T280 HydrophobicContact CG2-CG2 3.61Å; A231-T280 HydrophobicContact CB-CG2 4.31Å; L253-T280 HydrophobicContact CD2-CG2 3.57Å; V276-T280 PolarHBondContact O-N 2.94Å; V276-T280 VanDerWaalsContact O-N 3.17Å; V276-T280 PolarHBondContact O-OG1 3.28Å; I277-T280 CarbonylContact O-C 3.56Å; I277-T280 WeakPolarHBondContact O-CA 3.49Å; I277-T280 WeakPolarHBondContact O-CB 3.45Å; I277-T280 PolarHBondContact O-N 3.11Å; V278-T280 PolarHBondContact O-N 3.16Å; T280-S282 VanDerWaalsContact C-N 3.35Å; T280-A283 PolarHBondContact O-N 3Å; T280-C284 PolarHBondContact O-N 3.43Å; T280-C284 PolarHBondContact O-SG 2.84Å |
| 281 | L | 97.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 174.7 | -76.6 | 170.2 | 0 | 0 | 0 | 111.3 | L250 L253 T254 L257 I277 V278 A283 C284 I285 L300 | L250-L281 HydrophobicContact CD1-CD2 3.73Å; L253-L281 HydrophobicContact CB-CD2 4.1Å; L253-L281 HydrophobicContact CD2-CD2 3.76Å; L253-L281 HydrophobicContact CD2-CG 3.96Å; L253-L281 HydrophobicContact CG-CD2 3.79Å; L253-L281 HydrophobicContact CG-CG 3.99Å; T254-L281 WeakPolarHBondContact OG1-CD2 3.39Å; L257-L281 HydrophobicContact CB-CD1 4.3Å; L257-L281 HydrophobicContact CD2-CD1 3.76Å; I277-L281 HydrophobicContact CG2-CD1 3.88Å; I277-L281 HydrophobicContact CG2-CG 4.16Å; I277-L281 PolarHBondContact O-N 2.96Å; V278-L281 PolarHBondContact O-N 3.36Å; L281-A283 PolarHBondContact O-N 3.5Å; L281-C284 WeakPolarHBondContact O-CA 3.39Å; L281-C284 WeakPolarHBondContact O-CB 3.49Å; L281-C284 PolarHBondContact O-N 3.35Å; L281-I285 WeakPolarHBondContact O-CG1 3.42Å; L281-I285 PolarHBondContact O-N 3.37Å; L281-I285 VanDerWaalsContact O-N 3.16Å; L281-L300 HydrophobicContact CD1-CD1 4.41Å |
| 282 | S | 96.7 | Very high | 95 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -51.2 | -57.1 | 172.7 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | V278 T280 C284 I285 T286 E327 | V278-S282 WeakPolarHBondContact O-CB 3.47Å; V278-S282 PolarHBondContact O-N 3.13Å; T280-S282 VanDerWaalsContact C-N 3.35Å; S282-C284 PolarHBondContact O-N 2.98Å; S282-C284 VanDerWaalsContact O-N 3.08Å; S282-I285 CarbonylContact O-C 3.55Å; S282-I285 WeakPolarHBondContact O-CG1 3.28Å; S282-I285 PolarHBondContact O-N 3.24Å; S282-T286 PolarHBondContact O-N 3.16Å; S282-T286 PolarHBondContact O-OG1 3.34Å; S282-E327 VanDerWaalsContact CA-OE2 3.29Å; S282-E327 WeakPolarHBondContact CA-OE2 3.39Å; S282-E327 WeakPolarHBondContact CB-OE2 3.35Å; S282-E327 VanDerWaalsContact OG-CD 3.3Å; S282-E327 PolarHBondContact OG-OE1 3.37Å; S282-E327 PolarHBondContact OG-OE2 3.05Å |
| 283 | A | 97 | Very high | 95.3 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 13% | 0.132 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.8 | -30 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A231 V234 Q241 K279 T280 L281 I285 | A231-A283 HydrophobicContact CB-CB 4.02Å; V234-A283 HydrophobicContact CG2-CB 4.1Å; V234-A283 WeakPolarHBondContact CG2-O 3.45Å; Q241-A283 PolarHBondContact NE2-O 3.03Å; K279-A283 PolarHBondContact O-N 2.71Å; T280-A283 PolarHBondContact O-N 3Å; L281-A283 PolarHBondContact O-N 3.5Å; A283-I285 VanDerWaalsContact C-N 3.34Å |
| 284 | C | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -73.1 | -20.7 | 174.2 | -65.6 | 0 | 0 | 0 | 0 | 114.3 | Q241 L250 T280 L281 S282 | Q241-C284 WeakPolarHBondContact CG-O 3.28Å; L250-C284 HydrophobicContact CD1-CB 3.8Å; T280-C284 PolarHBondContact O-N 3.43Å; T280-C284 PolarHBondContact O-SG 2.84Å; L281-C284 WeakPolarHBondContact O-CA 3.39Å; L281-C284 WeakPolarHBondContact O-CB 3.49Å; L281-C284 PolarHBondContact O-N 3.35Å; S282-C284 PolarHBondContact O-N 2.98Å; S282-C284 VanDerWaalsContact O-N 3.08Å |
| 285 | I | 96.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -119.7 | -12.2 | -175 | 71.9 | 178.2 | 0 | 0 | 0 | 114.6 | L250 L281 S282 A283 D287 N288 L291 A292 L295 E327 | L250-I285 HydrophobicContact CD1-CG2 4.39Å; L250-I285 HydrophobicContact CD2-CG2 4.4Å; L281-I285 WeakPolarHBondContact O-CG1 3.42Å; L281-I285 PolarHBondContact O-N 3.37Å; L281-I285 VanDerWaalsContact O-N 3.16Å; S282-I285 CarbonylContact O-C 3.55Å; S282-I285 WeakPolarHBondContact O-CG1 3.28Å; S282-I285 PolarHBondContact O-N 3.24Å; A283-I285 VanDerWaalsContact C-N 3.34Å; I285-D287 PolarHBondContact O-N 3.32Å; I285-N288 WeakPolarHBondContact O-CA 3.43Å; I285-N288 PolarHBondContact O-N 3.11Å; I285-L291 HydrophobicContact CG2-CB 4.29Å; I285-A292 HydrophobicContact CB-CB 4.02Å; I285-A292 HydrophobicContact CD1-CB 4.15Å; I285-A292 HydrophobicContact CG1-CB 4.46Å; I285-L295 HydrophobicContact CD1-CD1 4.31Å; I285-L295 HydrophobicContact CG2-CD1 3.79Å; I285-E327 HydrophobicContact CD1-CB 4.12Å; I285-E327 HydrophobicContact CG1-CB 4.33Å |
| 286 | T | 95.1 | Very high | 95.9 | Very high | 34 Ų | 34 | 32 Ų | 32 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 129.9 | 175.9 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | Q241 S282 N288 E327 | Q241-T286 PolarHBondContact NE2-O 3.1Å; S282-T286 PolarHBondContact O-N 3.16Å; S282-T286 PolarHBondContact O-OG1 3.34Å; T286-N288 PolarHBondContact O-N 3.43Å; T286-N288 VanDerWaalsContact O-N 3.12Å; T286-E327 WeakPolarHBondContact CA-OE1 3.45Å; T286-E327 WeakPolarHBondContact CB-OE1 3.25Å; T286-E327 PolarHBondContact OG1-OE1 3.37Å |
| 287 | D | 93.8 | Very high | 96 | Very high | 150 Ų | 150 | 37.8 Ų | 37.8 | 80% | 0.802 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 18.2 | -176 | -60.1 | -37.9 | 0 | 0 | 0 | 115.2 | I285 | I285-D287 PolarHBondContact O-N 3.32Š|
| 288 | N | 95.6 | Very high | 96 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | trans | -129.8 | 76.1 | -175.8 | -154.1 | -36.2 | 0 | 0 | 0 | 112.5 | Q241 I285 T286 N290 L291 A292 | Q241-N288 PolarHBondContact OE1-ND2 3.43Å; I285-N288 WeakPolarHBondContact O-CA 3.43Å; I285-N288 PolarHBondContact O-N 3.11Å; T286-N288 PolarHBondContact O-N 3.43Å; T286-N288 VanDerWaalsContact O-N 3.12Å; N288-N290 PolarHBondContact O-N 3.01Å; N288-N290 VanDerWaalsContact O-N 3.17Å; N288-L291 HydrophobicContact CB-CB 4.48Å; N288-L291 HydrophobicContact CB-CD1 4.37Å; N288-L291 PolarHBondContact O-N 3.49Å; N288-L291 VanDerWaalsContact O-N 3.14Å; N288-A292 PolarHBondContact O-N 2.98Å; N288-A292 VanDerWaalsContact O-N 3.09Å | ||
| 289 | P | 94 | Very high | 96 | Very high | 75 Ų | 75 | 40.7 Ų | 40.7 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.7 | -26.4 | -170.1 | 25.1 | -34.9 | 0 | 0 | 0 | 113.7 | A293 A331 | P289-A293 VanDerWaalsContact O-CB 3.22Å; P289-A293 WeakPolarHBondContact O-CB 3.4Å; P289-A293 PolarHBondContact O-N 3.16Å; P289-A331 HydrophobicContact CB-CB 4.16Å |
| 290 | N | 95.9 | Very high | 96 | Very high | 132 Ų | 132 | 37 Ų | 37 | 71% | 0.706 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -65.7 | -44.6 | 176.5 | -66.2 | -30.3 | 0 | 0 | 0 | 111.5 | N288 G294 | N288-N290 PolarHBondContact O-N 3.01Å; N288-N290 VanDerWaalsContact O-N 3.17Å; N290-G294 PolarHBondContact O-N 2.85Å; N290-G294 VanDerWaalsContact O-N 3.13Å |
| 291 | L | 96.9 | Very high | 95.9 | Very high | 26 Ų | 26 | 36.9 Ų | 36.9 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.7 | -40.9 | 177.7 | -63.1 | -175.9 | 0 | 0 | 0 | 111.2 | Q241 E242 A245 L250 I285 N288 G294 | Q241-L291 HydrophobicContact CB-CD1 3.71Å; E242-L291 HydrophobicContact CG-CD1 4.38Å; A245-L291 HydrophobicContact CB-CD1 4.27Å; A245-L291 HydrophobicContact CB-CD2 3.47Å; A245-L291 VanDerWaalsContact CB-CD2 3.47Å; A245-L291 HydrophobicContact CB-CG 4.5Å; L250-L291 HydrophobicContact CD2-CB 4.07Å; L250-L291 HydrophobicContact CD2-CD2 4.45Å; I285-L291 HydrophobicContact CG2-CB 4.29Å; N288-L291 HydrophobicContact CB-CB 4.48Å; N288-L291 HydrophobicContact CB-CD1 4.37Å; N288-L291 PolarHBondContact O-N 3.49Å; N288-L291 VanDerWaalsContact O-N 3.14Å; L291-G294 PolarHBondContact O-N 3.06Å |
| 292 | A | 96.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.9 | -54.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I285 N288 G294 L295 A331 H335 | I285-A292 HydrophobicContact CB-CB 4.02Å; I285-A292 HydrophobicContact CD1-CB 4.15Å; I285-A292 HydrophobicContact CG1-CB 4.46Å; N288-A292 PolarHBondContact O-N 2.98Å; N288-A292 VanDerWaalsContact O-N 3.09Å; A292-G294 PolarHBondContact O-N 3.16Å; A292-L295 WeakPolarHBondContact O-CB 3.43Å; A292-L295 PolarHBondContact O-N 2.92Å; A292-A331 HydrophobicContact CB-CB 3.36Å; A292-H335 PolarHBondContact O-CE1 3.36Å |
| 293 | A | 96.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 42.9 Ų | 42.9 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.6 | -35.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | P289 L295 A296 | P289-A293 VanDerWaalsContact O-CB 3.22Å; P289-A293 WeakPolarHBondContact O-CB 3.4Å; P289-A293 PolarHBondContact O-N 3.16Å; A293-L295 PolarHBondContact O-N 3.5Å; A293-A296 VanDerWaalsContact O-CB 3.28Å; A293-A296 WeakPolarHBondContact O-CB 3.45Å; A293-A296 PolarHBondContact O-N 3.49Å; A293-A296 VanDerWaalsContact O-N 3.12Å |
| 294 | G | 95.7 | Very high | 95.7 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 37% | 0.371 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -14.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N290 L291 A292 Q297 | N290-G294 PolarHBondContact O-N 2.85Å; N290-G294 VanDerWaalsContact O-N 3.13Å; L291-G294 PolarHBondContact O-N 3.06Å; A292-G294 PolarHBondContact O-N 3.16Å; G294-Q297 PolarHBondContact O-NE2 3.29Å |
| 295 | L | 96.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -13.4 | 174.3 | -64.3 | -177.8 | 0 | 0 | 0 | 114 | L250 T254 I285 A292 A293 Q297 Y298 L300 | L250-L295 HydrophobicContact CD1-CD1 4.31Å; L250-L295 HydrophobicContact CD1-CD2 4.29Å; L250-L295 HydrophobicContact CD2-CD2 4.3Å; L250-L295 HydrophobicContact CG-CD2 3.98Å; T254-L295 HydrophobicContact CG2-CD2 4.41Å; T254-L295 VanDerWaalsContact OG1-CD2 3.31Å; T254-L295 WeakPolarHBondContact OG1-CD2 3.37Å; I285-L295 HydrophobicContact CD1-CD1 4.31Å; I285-L295 HydrophobicContact CG2-CD1 3.79Å; A292-L295 WeakPolarHBondContact O-CB 3.43Å; A292-L295 PolarHBondContact O-N 2.92Å; A293-L295 PolarHBondContact O-N 3.5Å; L295-Q297 VanDerWaalsContact C-N 3.26Å; L295-Q297 PolarHBondContact O-N 3.47Å; L295-Y298 HydrophobicContact CD2-CD2 4.2Å; L295-Y298 HydrophobicContact CD2-CE2 4.35Å; L295-Y298 PolarHBondContact O-N 3.33Å; L295-L300 HydrophobicContact CB-CD2 3.91Å; L295-L300 HydrophobicContact CD1-CD2 3.64Å; L295-L300 HydrophobicContact CG-CD2 4.37Å |
| 296 | A | 94.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 5% | 0.05 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -62.3 | -33.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A293 Y298 G299 E334 H335 Q338 | A293-A296 VanDerWaalsContact O-CB 3.28Å; A293-A296 WeakPolarHBondContact O-CB 3.45Å; A293-A296 PolarHBondContact O-N 3.49Å; A293-A296 VanDerWaalsContact O-N 3.12Å; A296-Y298 PolarHBondContact O-N 2.98Å; A296-Y298 VanDerWaalsContact O-N 3.1Å; A296-G299 PolarHBondContact O-N 2.7Å; A296-E334 HydrophobicContact CB-CB 3.94Å; A296-E334 HydrophobicContact CB-CG 3.63Å; A296-H335 WeakPolarHBondContact CA-NE2 3.31Å; A296-H335 PolarHBondContact N-NE2 2.93Å; A296-Q338 PolarHBondContact O-NE2 3.04Å |
| 297 | Q | 94.7 | Very high | 95.4 | Very high | 153 Ų | 153 | 46 Ų | 46 | 72% | 0.715 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -59.6 | -18 | 175.1 | 68.7 | -172.8 | -37.2 | 0 | 0 | 114.7 | G294 L295 | G294-Q297 PolarHBondContact O-NE2 3.29Å; L295-Q297 VanDerWaalsContact C-N 3.26Å; L295-Q297 PolarHBondContact O-N 3.47Å |
| 298 | Y | 95.8 | Very high | 95.4 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -94.5 | 3.5 | 177.6 | -57.1 | -77.5 | 0 | 0 | 0 | 113.2 | E251 T254 L255 L295 A296 L300 | E251-Y298 VanDerWaalsContact CD-OH 3.25Å; E251-Y298 HydrophobicContact CG-CE1 4.32Å; E251-Y298 VanDerWaalsContact CG-OH 3.25Å; E251-Y298 WeakPolarHBondContact CG-OH 3.48Å; E251-Y298 PolarHBondContact OE1-OH 2.88Å; T254-Y298 HydrophobicContact CG2-CD2 3.97Å; T254-Y298 HydrophobicContact CG2-CG 3.83Å; L255-Y298 HydrophobicContact CD2-CD1 4.23Å; L255-Y298 HydrophobicContact CD2-CE1 4.29Å; L295-Y298 HydrophobicContact CD2-CD2 4.2Å; L295-Y298 HydrophobicContact CD2-CE2 4.35Å; L295-Y298 PolarHBondContact O-N 3.33Å; A296-Y298 PolarHBondContact O-N 2.98Å; A296-Y298 VanDerWaalsContact O-N 3.1Å; Y298-L300 PolarHBondContact O-N 3.18Å |
| 299 | G | 94.7 | Very high | 95.1 | Very high | 13 Ų | 13 | 42 Ų | 42 | 13% | 0.134 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 30.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A296 V301 Y302 H303 | A296-G299 PolarHBondContact O-N 2.7Å; G299-V301 PolarHBondContact O-N 3.16Å; G299-V301 VanDerWaalsContact O-N 3.13Å; G299-Y302 WeakPolarHBondContact O-CB 3.48Å; G299-Y302 PolarHBondContact O-N 3.05Å; G299-H303 PolarHBondContact O-CD2 3.33Å |
| 300 | L | 95.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.4 | -38.2 | -168.3 | 177.4 | 58.3 | 0 | 0 | 0 | 112.8 | L257 L281 L295 Y298 Y302 H303 L304 | L257-L300 HydrophobicContact CD2-CD1 3.64Å; L281-L300 HydrophobicContact CD1-CD1 4.41Å; L295-L300 HydrophobicContact CB-CD2 3.91Å; L295-L300 HydrophobicContact CD1-CD2 3.64Å; L295-L300 HydrophobicContact CG-CD2 4.37Å; Y298-L300 PolarHBondContact O-N 3.18Å; L300-Y302 VanDerWaalsContact C-N 3.32Å; L300-Y302 PolarHBondContact O-N 3.38Å; L300-H303 WeakPolarHBondContact O-CB 3.19Å; L300-H303 PolarHBondContact O-N 3.38Å; L300-H303 VanDerWaalsContact O-N 3.09Å; L300-L304 HydrophobicContact CD1-CD1 4.45Å; L300-L304 HydrophobicContact CD1-CD2 4.34Å; L300-L304 HydrophobicContact CD1-CG 4.11Å; L300-L304 HydrophobicContact CG-CD1 4.04Å; L300-L304 HydrophobicContact CG-CG 4.17Å; L300-L304 WeakPolarHBondContact O-CG 3.48Å; L300-L304 PolarHBondContact O-N 3.37Å |
| 301 | V | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -37.5 | -178.7 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | G299 H303 L304 F305 C328 H335 Q338 L339 | G299-V301 PolarHBondContact O-N 3.16Å; G299-V301 VanDerWaalsContact O-N 3.13Å; V301-H303 VanDerWaalsContact C-N 3.28Å; V301-H303 PolarHBondContact O-N 3.04Å; V301-L304 PolarHBondContact O-N 3.08Å; V301-F305 VanDerWaalsContact O-CB 3.3Å; V301-F305 WeakPolarHBondContact O-CB 3.35Å; V301-F305 PolarHBondContact O-N 3.23Å; V301-C328 HydrophobicContact CG2-CB 4.01Å; V301-H335 HydrophobicContact CG2-CB 3.87Å; V301-Q338 HydrophobicContact CB-CB 3.92Å; V301-Q338 HydrophobicContact CG1-CB 4.22Å; V301-L339 HydrophobicContact CG1-CB 3.83Å; V301-L339 HydrophobicContact CG1-CD1 3.9Å; V301-L339 HydrophobicContact CG1-CG 4.48Å |
| 302 | Y | 95.3 | Very high | 92.7 | Very high | 96 Ų | 96 | 42.7 Ų | 42.7 | 38% | 0.376 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.6 | -41.6 | 174.2 | -65.7 | -69.5 | 0 | 0 | 0 | 111.9 | G299 L300 F306 Q338 D341 C342 | G299-Y302 WeakPolarHBondContact O-CB 3.48Å; G299-Y302 PolarHBondContact O-N 3.05Å; L300-Y302 VanDerWaalsContact C-N 3.32Å; L300-Y302 PolarHBondContact O-N 3.38Å; Y302-F306 WeakPolarHBondContact O-CB 3.5Å; Y302-F306 PolarHBondContact O-N 3.34Å; Y302-Q338 HydrophobicContact CD2-CB 4.31Å; Y302-Q338 HydrophobicContact CD2-CG 4.23Å; Y302-Q338 HydrophobicContact CE2-CB 3.85Å; Y302-Q338 HydrophobicContact CE2-CG 3.55Å; Y302-D341 HydrophobicContact CE1-CB 4.18Å; Y302-D341 WeakPolarHBondContact OH-CB 3.25Å; Y302-D341 PolarHBondContact OH-OD2 3.34Å; Y302-C342 HydrophobicContact CD1-CB 3.64Å; Y302-C342 HydrophobicContact CE1-CB 3.85Å |
| 303 | H | 95.3 | Very high | 92.1 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 26% | 0.259 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -73.1 | -39 | -179.8 | -67.4 | -65 | 0 | 0 | 0 | 112.5 | V261 G299 L300 V301 F306 L307 | V261-H303 HydrophobicContact CG1-CB 3.95Å; V261-H303 WeakPolarHBondContact CG1-ND1 3.43Å; V261-H303 HydrophobicContact CG2-CB 4.42Å; V261-H303 WeakPolarHBondContact CG2-O 3.43Å; G299-H303 PolarHBondContact O-CD2 3.33Å; L300-H303 WeakPolarHBondContact O-CB 3.19Å; L300-H303 PolarHBondContact O-N 3.38Å; L300-H303 VanDerWaalsContact O-N 3.09Å; V301-H303 VanDerWaalsContact C-N 3.28Å; V301-H303 PolarHBondContact O-N 3.04Å; H303-F306 PolarHBondContact O-N 3.19Å; H303-L307 PolarHBondContact O-N 3.02Å; H303-L307 VanDerWaalsContact O-N 3.09Å |
| 304 | L | 96.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 172.6 | -63.8 | 179.1 | 0 | 0 | 0 | 111.3 | L257 V278 L300 V301 L307 L308 V321 A324 I325 | L257-L304 HydrophobicContact CD2-CD2 4.34Å; V278-L304 HydrophobicContact CB-CD2 4.26Å; V278-L304 HydrophobicContact CG1-CD2 3.77Å; V278-L304 HydrophobicContact CG2-CD2 3.41Å; V278-L304 VanDerWaalsContact CG2-CD2 3.41Å; L300-L304 HydrophobicContact CD1-CD1 4.45Å; L300-L304 HydrophobicContact CD1-CD2 4.34Å; L300-L304 HydrophobicContact CD1-CG 4.11Å; L300-L304 HydrophobicContact CG-CD1 4.04Å; L300-L304 HydrophobicContact CG-CG 4.17Å; L300-L304 WeakPolarHBondContact O-CG 3.48Å; L300-L304 PolarHBondContact O-N 3.37Å; V301-L304 PolarHBondContact O-N 3.08Å; L304-L307 PolarHBondContact O-N 3.35Å; L304-L308 VanDerWaalsContact O-CB 3.31Å; L304-L308 WeakPolarHBondContact O-CB 3.43Å; L304-L308 PolarHBondContact O-N 3.2Å; L304-V321 HydrophobicContact CB-CG1 4.21Å; L304-V321 WeakPolarHBondContact O-CG1 3.27Å; L304-A324 HydrophobicContact CD1-CB 4.14Å; L304-I325 HydrophobicContact CB-CD1 3.94Å; L304-I325 HydrophobicContact CB-CG1 3.58Å; L304-I325 HydrophobicContact CD1-CG1 3.76Å; L304-I325 HydrophobicContact CG-CG1 4.31Å |
| 305 | F | 95.2 | Very high | 91 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 13% | 0.132 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.8 | -179.7 | -103.5 | 0 | 0 | 0 | 112.8 | V301 L307 L308 T309 C342 I347 | V301-F305 VanDerWaalsContact O-CB 3.3Å; V301-F305 WeakPolarHBondContact O-CB 3.35Å; V301-F305 PolarHBondContact O-N 3.23Å; F305-L307 VanDerWaalsContact C-N 3.33Å; F305-L307 PolarHBondContact O-N 3.05Å; F305-L308 PolarHBondContact O-N 2.94Å; F305-T309 HydrophobicContact CD1-CG2 4.49Å; F305-T309 HydrophobicContact CD2-CG2 4.32Å; F305-T309 HydrophobicContact CE1-CG2 4.04Å; F305-T309 HydrophobicContact CE2-CG2 3.84Å; F305-T309 HydrophobicContact CZ-CG2 3.71Å; F305-T309 WeakPolarHBondContact O-CG2 3.26Å; F305-T309 PolarHBondContact O-N 3.35Å; F305-T309 PolarHBondContact O-OG1 2.92Å; F305-C342 HydrophobicContact CD1-CB 3.9Å; F305-C342 VanDerWaalsContact CD1-SG 3.57Å; F305-C342 HydrophobicContact CE1-CB 4.29Å; F305-C342 WeakPolarHBondContact CE1-O 3.39Å; F305-C342 HydrophobicContact CG-CB 4.33Å; F305-C342 WeakPolarHBondContact CG-SG 3.43Å; F305-C342 WeakPolarHBondContact CZ-O 3.45Å; F305-I347 HydrophobicContact CE2-CB 4.03Å; F305-I347 HydrophobicContact CE2-CG1 3.8Å; F305-I347 HydrophobicContact CE2-CG2 4.29Å; F305-I347 HydrophobicContact CZ-CG1 3.95Å |
| 306 | F | 94.1 | Very high | 90.3 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 39% | 0.39 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 173 | 179.5 | -93.1 | 0 | 0 | 0 | 112.3 | V261 Y302 H303 T309 | V261-F306 HydrophobicContact CG2-CD1 4.29Å; V261-F306 WeakPolarHBondContact O-CE1 3.46Å; Y302-F306 WeakPolarHBondContact O-CB 3.5Å; Y302-F306 PolarHBondContact O-N 3.34Å; H303-F306 PolarHBondContact O-N 3.19Å; F306-T309 PolarHBondContact O-OG1 3.35Å |
| 307 | L | 94.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 176.1 | -176.2 | 61.5 | 0 | 0 | 0 | 111.5 | V261 A264 R271 V275 V278 H303 L304 F305 T309 S310 L313 V321 | V261-L307 HydrophobicContact CG2-CB 4.14Å; A264-L307 HydrophobicContact CB-CD1 3.79Å; R271-L307 HydrophobicContact CG-CD1 3.87Å; V275-L307 HydrophobicContact CG2-CD2 4.12Å; V278-L307 HydrophobicContact CG2-CD2 4.04Å; H303-L307 PolarHBondContact O-N 3.02Å; H303-L307 VanDerWaalsContact O-N 3.09Å; L304-L307 PolarHBondContact O-N 3.35Å; F305-L307 VanDerWaalsContact C-N 3.33Å; F305-L307 PolarHBondContact O-N 3.05Å; L307-T309 VanDerWaalsContact C-N 3.32Å; L307-T309 PolarHBondContact O-N 3.05Å; L307-S310 WeakPolarHBondContact O-CB 3.4Å; L307-S310 PolarHBondContact O-N 3.12Å; L307-S310 PolarHBondContact O-OG 3.13Å; L307-L313 HydrophobicContact CD1-CD1 4.48Å; L307-V321 HydrophobicContact CD2-CG2 3.74Å; L307-V321 HydrophobicContact CG-CG2 4.17Å |
| 308 | L | 93.1 | Very high | 90 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.2 | -37.4 | -179.7 | -176.9 | 64.9 | 0 | 0 | 0 | 113.2 | L304 F305 S310 R318 V321 L322 I325 M348 F351 | L304-L308 VanDerWaalsContact O-CB 3.31Å; L304-L308 WeakPolarHBondContact O-CB 3.43Å; L304-L308 PolarHBondContact O-N 3.2Å; F305-L308 PolarHBondContact O-N 2.94Å; L308-S310 VanDerWaalsContact C-N 3.27Å; L308-S310 PolarHBondContact O-N 3.39Å; L308-R318 HydrophobicContact CD1-CG 3.69Å; L308-V321 HydrophobicContact CB-CG1 3.95Å; L308-V321 HydrophobicContact CD1-CB 4.44Å; L308-V321 HydrophobicContact CD1-CG1 4.34Å; L308-L322 HydrophobicContact CD1-CD2 4.04Å; L308-L322 HydrophobicContact CD1-CG 3.89Å; L308-L322 HydrophobicContact CD2-CD2 3.71Å; L308-L322 HydrophobicContact CD2-CG 4.45Å; L308-I325 HydrophobicContact CD2-CD1 3.86Å; L308-M348 HydrophobicContact CD2-CE 3.61Å; L308-F351 HydrophobicContact CD1-CE2 4.04Å; L308-F351 HydrophobicContact CD1-CZ 4.21Å; L308-F351 HydrophobicContact CD2-CE2 3.86Å; L308-F351 HydrophobicContact CG-CE2 3.92Å; L308-F351 HydrophobicContact CG-CZ 4.3Å |
| 309 | T | 89.7 | Confident | 89.9 | Confident | 71 Ų | 71 | 48.2 Ų | 48.2 | 44% | 0.436 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 0.7 | 179.8 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | F305 F306 L307 | F305-T309 HydrophobicContact CD1-CG2 4.49Å; F305-T309 HydrophobicContact CD2-CG2 4.32Å; F305-T309 HydrophobicContact CE1-CG2 4.04Å; F305-T309 HydrophobicContact CE2-CG2 3.84Å; F305-T309 HydrophobicContact CZ-CG2 3.71Å; F305-T309 WeakPolarHBondContact O-CG2 3.26Å; F305-T309 PolarHBondContact O-N 3.35Å; F305-T309 PolarHBondContact O-OG1 2.92Å; F306-T309 PolarHBondContact O-OG1 3.35Å; L307-T309 VanDerWaalsContact C-N 3.32Å; L307-T309 PolarHBondContact O-N 3.05Å |
| 310 | S | 85.8 | Confident | 89.8 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | trans | -72.5 | 131.4 | 178.8 | 72.3 | 0 | 0 | 0 | 0 | 112.8 | L307 L308 H312 L313 | L307-S310 WeakPolarHBondContact O-CB 3.4Å; L307-S310 PolarHBondContact O-N 3.12Å; L307-S310 PolarHBondContact O-OG 3.13Å; L308-S310 VanDerWaalsContact C-N 3.27Å; L308-S310 PolarHBondContact O-N 3.39Å; S310-H312 PolarHBondContact O-N 3.24Å; S310-L313 PolarHBondContact O-N 3.41Å | ||
| 311 | S | 73.5 | Confident | 89.9 | Confident | 100 Ų | 100 | 48.8 Ų | 48.8 | 70% | 0.699 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -1.2 | -170.6 | 56.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 312 | H | 76.8 | Confident | 89.8 | Confident | 128 Ų | 128 | 48.8 Ų | 48.8 | 59% | 0.593 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.9 | 26.9 | -172.8 | -57.9 | -60.2 | 0 | 0 | 0 | 112.1 | R271 S310 | R271-H312 WeakPolarHBondContact CD-O 3.22Å; R271-H312 VanDerWaalsContact NH1-CB 3.34Å; S310-H312 PolarHBondContact O-N 3.24Å |
| 313 | L | 84.9 | Confident | 89.8 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | trans | -80.3 | 128.7 | 170.1 | -167.6 | 65.8 | 0 | 0 | 0 | 109.9 | R271 V275 L307 S310 D317 R318 V321 | R271-L313 HydrophobicContact CG-CD1 4.28Å; V275-L313 HydrophobicContact CG2-CD1 3.63Å; L307-L313 HydrophobicContact CD1-CD1 4.48Å; S310-L313 PolarHBondContact O-N 3.41Å; L313-D317 HydrophobicContact CD1-CB 3.8Å; L313-D317 HydrophobicContact CG-CB 4.17Å; L313-R318 HydrophobicContact CD2-CB 4.08Å; L313-R318 HydrophobicContact CG-CB 4.47Å; L313-V321 HydrophobicContact CD2-CG2 4.27Å | ||
| 314 | D | 84.8 | Confident | 89.9 | Confident | 85 Ų | 85 | 46 Ų | 46 | 46% | 0.455 | 25% | 0.25 | S | C | . | . | trans | -64.9 | 148 | 177.1 | -174.2 | -88 | 0 | 0 | 0 | 111.5 | D316 D317 R318 | D314-D316 PolarHBondContact O-N 3.45Å; D314-D316 PolarHBondContact OD1-N 3.11Å; D314-D317 HydrophobicContact CB-CB 4.13Å; D314-D317 PolarHBondContact O-N 2.73Å; D314-R318 PolarHBondContact O-N 2.69Å | ||
| 315 | P | 82.6 | Confident | 89.9 | Confident | 78 Ų | 78 | 46 Ų | 46 | 51% | 0.506 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.4 | -38.6 | 178.3 | -27.2 | 36.9 | 0 | 0 | 0 | 115.4 | D317 R318 L319 | P315-D317 VanDerWaalsContact C-N 3.32Å; P315-R318 WeakPolarHBondContact O-CB 3.1Å; P315-R318 PolarHBondContact O-N 3.39Å; P315-L319 PolarHBondContact O-N 3.5Å |
| 316 | D | 83.4 | Confident | 90 | Very high | 87 Ų | 87 | 44.6 Ų | 44.6 | 47% | 0.465 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.6 | -32.1 | 178.2 | -85.9 | 14 | 0 | 0 | 0 | 110.3 | D314 S320 K547 | D314-D316 PolarHBondContact O-N 3.45Å; D314-D316 PolarHBondContact OD1-N 3.11Å; D316-S320 PolarHBondContact O-N 3.33Å; D316-S320 PolarHBondContact O-OG 2.85Å; D316-K547 IonicContact OD2-NZ 3.21Å; D316-K547 PolarHBondContact OD2-NZ 2.96Å |
| 317 | D | 90.8 | Very high | 90 | Very high | 35 Ų | 35 | 42.2 Ų | 42.2 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.5 | -36.6 | 174.9 | -69.8 | -17 | 0 | 0 | 0 | 112.2 | V275 K279 L313 D314 P315 L319 S320 V321 | V275-D317 HydrophobicContact CG1-CB 3.88Å; V275-D317 WeakPolarHBondContact CG1-OD1 3.37Å; V275-D317 HydrophobicContact CG2-CB 4.01Å; K279-D317 IonicContact NZ-OD1 2.91Å; K279-D317 PolarHBondContact NZ-OD1 3Å; L313-D317 HydrophobicContact CD1-CB 3.8Å; L313-D317 HydrophobicContact CG-CB 4.17Å; D314-D317 HydrophobicContact CB-CB 4.13Å; D314-D317 PolarHBondContact O-N 2.73Å; P315-D317 VanDerWaalsContact C-N 3.32Å; D317-L319 PolarHBondContact O-N 3.42Å; D317-S320 WeakPolarHBondContact O-CB 3.08Å; D317-S320 PolarHBondContact O-N 3.42Å; D317-S320 VanDerWaalsContact O-N 3.15Å; D317-V321 WeakPolarHBondContact O-CG2 3.26Å; D317-V321 PolarHBondContact O-N 3.17Å |
| 318 | R | 92.1 | Very high | 90.1 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 24% | 0.242 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.2 | -48.4 | 172.9 | -178.6 | -171.5 | -59.7 | 165.7 | 7.6 | 111.5 | L308 L313 D314 P315 S320 V321 L322 D355 | L308-R318 HydrophobicContact CD1-CG 3.69Å; L313-R318 HydrophobicContact CD2-CB 4.08Å; L313-R318 HydrophobicContact CG-CB 4.47Å; D314-R318 PolarHBondContact O-N 2.69Å; P315-R318 WeakPolarHBondContact O-CB 3.1Å; P315-R318 PolarHBondContact O-N 3.39Å; R318-S320 PolarHBondContact O-N 2.97Å; R318-V321 PolarHBondContact O-N 2.65Å; R318-L322 HydrophobicContact CG-CD1 4.12Å; R318-L322 WeakPolarHBondContact O-CG 3.44Å; R318-L322 PolarHBondContact O-N 2.97Å; R318-D355 IonicContact CZ-OD2 2.79Å; R318-D355 IonicContact NH1-OD2 3.04Å; R318-D355 PolarHBondContact NH1-OD2 3.31Å |
| 319 | L | 93.1 | Very high | 90.2 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 20% | 0.199 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.5 | -41 | 176.6 | 179.4 | 61.1 | 0 | 0 | 0 | 111.1 | P315 D317 V321 L322 L323 D359 V360 A363 | P315-L319 PolarHBondContact O-N 3.5Å; D317-L319 PolarHBondContact O-N 3.42Å; L319-V321 PolarHBondContact O-N 2.91Å; L319-L322 PolarHBondContact O-N 3.35Å; L319-L323 HydrophobicContact CD1-CD1 4.38Å; L319-L323 HydrophobicContact CD1-CG 4.25Å; L319-L323 HydrophobicContact CG-CD1 4.14Å; L319-L323 HydrophobicContact CG-CG 4.44Å; L319-L323 VanDerWaalsContact O-CG 3.31Å; L319-L323 WeakPolarHBondContact O-CG 3.47Å; L319-L323 PolarHBondContact O-N 3.38Å; L319-D359 HydrophobicContact CD1-CB 4.01Å; L319-D359 HydrophobicContact CD2-CB 3.78Å; L319-V360 HydrophobicContact CB-CG2 4.43Å; L319-V360 HydrophobicContact CD1-CG2 4.47Å; L319-A363 HydrophobicContact CD1-CB 4.14Å |
| 320 | S | 93.7 | Very high | 90.5 | Very high | 28 Ų | 28 | 44 Ų | 44 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -39.6 | 178.7 | -52.9 | 0 | 0 | 0 | 0 | 112.6 | K279 D316 D317 R318 A324 | K279-S320 VanDerWaalsContact CE-CB 3.49Å; K279-S320 WeakPolarHBondContact CE-OG 3.18Å; D316-S320 PolarHBondContact O-N 3.33Å; D316-S320 PolarHBondContact O-OG 2.85Å; D317-S320 WeakPolarHBondContact O-CB 3.08Å; D317-S320 PolarHBondContact O-N 3.42Å; D317-S320 VanDerWaalsContact O-N 3.15Å; R318-S320 PolarHBondContact O-N 2.97Å; S320-A324 PolarHBondContact O-N 3.36Å |
| 321 | V | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.3 | -39.6 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | V278 L304 L307 L308 L313 D317 R318 L319 A324 I325 | V278-V321 HydrophobicContact CG1-CG2 4.29Å; L304-V321 HydrophobicContact CB-CG1 4.21Å; L304-V321 WeakPolarHBondContact O-CG1 3.27Å; L307-V321 HydrophobicContact CD2-CG2 3.74Å; L307-V321 HydrophobicContact CG-CG2 4.17Å; L308-V321 HydrophobicContact CB-CG1 3.95Å; L308-V321 HydrophobicContact CD1-CB 4.44Å; L308-V321 HydrophobicContact CD1-CG1 4.34Å; L313-V321 HydrophobicContact CD2-CG2 4.27Å; D317-V321 WeakPolarHBondContact O-CG2 3.26Å; D317-V321 PolarHBondContact O-N 3.17Å; R318-V321 PolarHBondContact O-N 2.65Å; L319-V321 PolarHBondContact O-N 2.91Å; V321-A324 PolarHBondContact O-N 3.1Å; V321-I325 HydrophobicContact CG1-CD1 4.2Å; V321-I325 WeakPolarHBondContact O-CG1 3.39Å; V321-I325 PolarHBondContact O-N 2.83Å |
| 322 | L | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.3 | -73.8 | 168.4 | 0 | 0 | 0 | 112.1 | L308 R318 L319 A324 I325 G326 M348 F351 V360 A363 I367 | L308-L322 HydrophobicContact CD1-CD2 4.04Å; L308-L322 HydrophobicContact CD1-CG 3.89Å; L308-L322 HydrophobicContact CD2-CD2 3.71Å; L308-L322 HydrophobicContact CD2-CG 4.45Å; R318-L322 HydrophobicContact CG-CD1 4.12Å; R318-L322 WeakPolarHBondContact O-CG 3.44Å; R318-L322 PolarHBondContact O-N 2.97Å; L319-L322 PolarHBondContact O-N 3.35Å; L322-A324 PolarHBondContact O-N 2.89Å; L322-I325 PolarHBondContact O-N 2.96Å; L322-G326 PolarHBondContact O-N 3.13Å; L322-M348 HydrophobicContact CD2-CE 3.72Å; L322-M348 HydrophobicContact CD2-SD 3.75Å; L322-F351 HydrophobicContact CD2-CD2 4.23Å; L322-F351 HydrophobicContact CD2-CE2 4.44Å; L322-V360 HydrophobicContact CD1-CB 4.35Å; L322-V360 HydrophobicContact CD1-CG1 3.73Å; L322-V360 HydrophobicContact CD1-CG2 4.27Å; L322-A363 HydrophobicContact CB-CB 3.92Å; L322-I367 HydrophobicContact CB-CD1 4.42Å; L322-I367 HydrophobicContact CD2-CD1 3.96Å; L322-I367 WeakPolarHBondContact O-CD1 3.5Å |
| 323 | L | 95.1 | Very high | 92.5 | Very high | 91 Ų | 91 | 39.2 Ų | 39.2 | 48% | 0.476 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 176.4 | -69.6 | 172.2 | 0 | 0 | 0 | 111.3 | L319 I325 G326 E327 A363 | L319-L323 HydrophobicContact CD1-CD1 4.38Å; L319-L323 HydrophobicContact CD1-CG 4.25Å; L319-L323 HydrophobicContact CG-CD1 4.14Å; L319-L323 HydrophobicContact CG-CG 4.44Å; L319-L323 VanDerWaalsContact O-CG 3.31Å; L319-L323 WeakPolarHBondContact O-CG 3.47Å; L319-L323 PolarHBondContact O-N 3.38Å; L323-I325 VanDerWaalsContact C-N 3.34Å; L323-I325 PolarHBondContact O-N 3.11Å; L323-G326 WeakPolarHBondContact O-CA 3.26Å; L323-G326 PolarHBondContact O-N 2.87Å; L323-G326 VanDerWaalsContact O-N 3.07Å; L323-E327 WeakPolarHBondContact O-CG 3.36Å; L323-E327 PolarHBondContact O-N 3.32Å; L323-A363 HydrophobicContact CD2-CB 4.41Å |
| 324 | A | 96.6 | Very high | 93 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -37.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V278 L304 S320 V321 L322 C328 | V278-A324 HydrophobicContact CG1-CB 3.63Å; L304-A324 HydrophobicContact CD1-CB 4.14Å; S320-A324 PolarHBondContact O-N 3.36Å; V321-A324 PolarHBondContact O-N 3.1Å; L322-A324 PolarHBondContact O-N 2.89Å; A324-C328 PolarHBondContact O-N 3.01Å; A324-C328 VanDerWaalsContact O-N 3.09Å; A324-C328 PolarHBondContact O-SG 3.15Å |
| 325 | I | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 171.3 | -68.5 | 168 | 0 | 0 | 0 | 109.9 | L304 L308 V321 L322 L323 C328 T329 L339 I367 | L304-I325 HydrophobicContact CB-CD1 3.94Å; L304-I325 HydrophobicContact CB-CG1 3.58Å; L304-I325 HydrophobicContact CD1-CG1 3.76Å; L304-I325 HydrophobicContact CG-CG1 4.31Å; L308-I325 HydrophobicContact CD2-CD1 3.86Å; V321-I325 HydrophobicContact CG1-CD1 4.2Å; V321-I325 WeakPolarHBondContact O-CG1 3.39Å; V321-I325 PolarHBondContact O-N 2.83Å; L322-I325 PolarHBondContact O-N 2.96Å; L323-I325 VanDerWaalsContact C-N 3.34Å; L323-I325 PolarHBondContact O-N 3.11Å; I325-C328 WeakPolarHBondContact O-CB 2.95Å; I325-C328 PolarHBondContact O-N 3.47Å; I325-T329 HydrophobicContact CG2-CG2 4.13Å; I325-T329 WeakPolarHBondContact O-CG2 3.47Å; I325-T329 PolarHBondContact O-N 3.41Å; I325-T329 PolarHBondContact O-OG1 3.34Å; I325-T329 VanDerWaalsContact O-OG1 3.1Å; I325-L339 HydrophobicContact CG2-CD1 4.15Å; I325-L339 HydrophobicContact CG2-CD2 4.27Å; I325-I367 HydrophobicContact CB-CD1 4.25Å; I325-I367 HydrophobicContact CG2-CD1 4.01Å; I325-I367 HydrophobicContact CG2-CG1 4.27Å; I325-I367 HydrophobicContact CG2-CG2 4.16Å |
| 326 | G | 95.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L322 L323 C328 T329 E330 | L322-G326 PolarHBondContact O-N 3.13Å; L323-G326 WeakPolarHBondContact O-CA 3.26Å; L323-G326 PolarHBondContact O-N 2.87Å; L323-G326 VanDerWaalsContact O-N 3.07Å; G326-C328 VanDerWaalsContact C-N 3.3Å; G326-C328 PolarHBondContact O-N 2.93Å; G326-T329 PolarHBondContact O-N 3Å; G326-T329 PolarHBondContact O-OG1 3.31Å; G326-E330 WeakPolarHBondContact O-CB 3.39Å; G326-E330 PolarHBondContact O-N 3.33Å |
| 327 | E | 95.3 | Very high | 94.5 | Very high | 38 Ų | 38 | 34.7 Ų | 34.7 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | 174.5 | -69.4 | 173.1 | 140.8 | 0 | 0 | 111.4 | S282 I285 T286 L323 A331 | S282-E327 VanDerWaalsContact CA-OE2 3.29Å; S282-E327 WeakPolarHBondContact CA-OE2 3.39Å; S282-E327 WeakPolarHBondContact CB-OE2 3.35Å; S282-E327 VanDerWaalsContact OG-CD 3.3Å; S282-E327 PolarHBondContact OG-OE1 3.37Å; S282-E327 PolarHBondContact OG-OE2 3.05Å; I285-E327 HydrophobicContact CD1-CB 4.12Å; I285-E327 HydrophobicContact CG1-CB 4.33Å; T286-E327 WeakPolarHBondContact CA-OE1 3.45Å; T286-E327 WeakPolarHBondContact CB-OE1 3.25Å; T286-E327 PolarHBondContact OG1-OE1 3.37Å; L323-E327 WeakPolarHBondContact O-CG 3.36Å; L323-E327 PolarHBondContact O-N 3.32Å; E327-A331 WeakPolarHBondContact O-CB 3.41Å; E327-A331 PolarHBondContact O-N 3.25Å |
| 328 | C | 96.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -49.6 | 176.1 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | V301 A324 I325 G326 E330 A331 S332 H335 | V301-C328 HydrophobicContact CG2-CB 4.01Å; A324-C328 PolarHBondContact O-N 3.01Å; A324-C328 VanDerWaalsContact O-N 3.09Å; A324-C328 PolarHBondContact O-SG 3.15Å; I325-C328 WeakPolarHBondContact O-CB 2.95Å; I325-C328 PolarHBondContact O-N 3.47Å; G326-C328 VanDerWaalsContact C-N 3.3Å; G326-C328 PolarHBondContact O-N 2.93Å; C328-E330 VanDerWaalsContact C-N 3.34Å; C328-E330 PolarHBondContact O-N 2.95Å; C328-A331 PolarHBondContact O-N 2.92Å; C328-S332 PolarHBondContact O-N 3.3Å; C328-H335 HydrophobicContact CB-CB 4.27Å; C328-H335 WeakPolarHBondContact O-CB 3.29Å; C328-H335 PolarHBondContact O-ND1 2.86Å |
| 329 | T | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -75.6 | -18.3 | -176.2 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | I325 G326 H335 Q336 L339 T370 | I325-T329 HydrophobicContact CG2-CG2 4.13Å; I325-T329 WeakPolarHBondContact O-CG2 3.47Å; I325-T329 PolarHBondContact O-N 3.41Å; I325-T329 PolarHBondContact O-OG1 3.34Å; I325-T329 VanDerWaalsContact O-OG1 3.1Å; G326-T329 PolarHBondContact O-N 3Å; G326-T329 PolarHBondContact O-OG1 3.31Å; T329-H335 HydrophobicContact CG2-CB 4.48Å; T329-Q336 VanDerWaalsContact O-CG 3.25Å; T329-Q336 WeakPolarHBondContact O-CG 3.32Å; T329-Q336 PolarHBondContact O-NE2 2.97Å; T329-L339 HydrophobicContact CG2-CB 4.34Å; T329-L339 HydrophobicContact CG2-CD2 4.08Å; T329-T370 WeakPolarHBondContact CB-OG1 3.44Å; T329-T370 WeakPolarHBondContact O-CB 3.29Å; T329-T370 PolarHBondContact OG1-OG1 3.36Å |
| 330 | E | 94.5 | Very high | 94.9 | Very high | 114 Ų | 114 | 31.7 Ų | 31.7 | 53% | 0.533 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -71.6 | -36 | 167 | -178.2 | 162.4 | -129.3 | 0 | 0 | 111.5 | G326 C328 F366 T370 | G326-E330 WeakPolarHBondContact O-CB 3.39Å; G326-E330 PolarHBondContact O-N 3.33Å; C328-E330 VanDerWaalsContact C-N 3.34Å; C328-E330 PolarHBondContact O-N 2.95Å; E330-F366 HydrophobicContact CB-CE1 4.43Å; E330-F366 HydrophobicContact CB-CZ 4.12Å; E330-F366 HydrophobicContact CG-CZ 4.4Å; E330-T370 HydrophobicContact CB-CG2 3.98Å |
| 331 | A | 93.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 20% | 0.198 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -83 | -23.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | P289 A292 E327 C328 | P289-A331 HydrophobicContact CB-CB 4.16Å; A292-A331 HydrophobicContact CB-CB 3.36Å; E327-A331 WeakPolarHBondContact O-CB 3.41Å; E327-A331 PolarHBondContact O-N 3.25Å; C328-A331 PolarHBondContact O-N 2.92Å |
| 332 | S | 93 | Very high | 94.7 | Very high | 26 Ų | 26 | 37.1 Ų | 37.1 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | trans | -153.2 | 139.8 | -172.7 | -177.2 | 0 | 0 | 0 | 0 | 114.6 | C328 E334 H335 Q336 | C328-S332 PolarHBondContact O-N 3.3Å; S332-E334 VanDerWaalsContact C-N 3.28Å; S332-E334 PolarHBondContact O-N 2.89Å; S332-E334 PolarHBondContact OG-N 3.5Å; S332-H335 PolarHBondContact O-N 3.26Å; S332-Q336 WeakPolarHBondContact O-CG 3.46Å; S332-Q336 PolarHBondContact O-N 3.21Å | ||
| 333 | E | 92.7 | Very high | 94.5 | Very high | 96 Ų | 96 | 38.8 Ų | 38.8 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.2 | -28.1 | 172.1 | -62.8 | -169.1 | 150.4 | 0 | 0 | 112.7 | Q336 S337 S377 | E333-Q336 VanDerWaalsContact CA-OE1 3.3Å; E333-Q336 PolarHBondContact O-N 2.85Å; E333-S337 WeakPolarHBondContact O-CB 3.43Å; E333-S337 PolarHBondContact O-N 3.39Å; E333-S337 PolarHBondContact O-OG 2.62Å; E333-S377 PolarHBondContact OE1-OG 3.4Å |
| 334 | E | 94 | Very high | 94.5 | Very high | 101 Ų | 101 | 34.4 Ų | 34.4 | 47% | 0.472 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64 | -45.2 | 173.3 | 177 | 60.5 | -148.8 | 0 | 0 | 110.5 | A296 S332 Q336 S337 Q338 | A296-E334 HydrophobicContact CB-CB 3.94Å; A296-E334 HydrophobicContact CB-CG 3.63Å; S332-E334 VanDerWaalsContact C-N 3.28Å; S332-E334 PolarHBondContact O-N 2.89Å; S332-E334 PolarHBondContact OG-N 3.5Å; E334-Q336 VanDerWaalsContact C-N 3.33Å; E334-Q336 PolarHBondContact O-N 3.07Å; E334-S337 WeakPolarHBondContact O-CB 3.38Å; E334-S337 PolarHBondContact O-N 3Å; E334-Q338 VanDerWaalsContact O-CG 3.26Å; E334-Q338 WeakPolarHBondContact O-CG 3.16Å; E334-Q338 PolarHBondContact O-N 3.17Å; E334-Q338 PolarHBondContact OE1-NE2 3.38Å |
| 335 | H | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | 175.1 | -73.4 | 155.1 | 0 | 0 | 0 | 113.2 | A292 A296 V301 C328 T329 S332 S337 L339 | A292-H335 PolarHBondContact O-CE1 3.36Å; A296-H335 WeakPolarHBondContact CA-NE2 3.31Å; A296-H335 PolarHBondContact N-NE2 2.93Å; V301-H335 HydrophobicContact CG2-CB 3.87Å; C328-H335 HydrophobicContact CB-CB 4.27Å; C328-H335 WeakPolarHBondContact O-CB 3.29Å; C328-H335 PolarHBondContact O-ND1 2.86Å; T329-H335 HydrophobicContact CG2-CB 4.48Å; S332-H335 PolarHBondContact O-N 3.26Å; H335-S337 VanDerWaalsContact C-N 3.34Å; H335-L339 PolarHBondContact O-N 3.1Å; H335-L339 VanDerWaalsContact O-N 3.1Å |
| 336 | Q | 95.1 | Very high | 94.2 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 175.7 | -65.1 | 158.1 | -1.7 | 0 | 0 | 110.3 | T329 S332 E333 E334 L339 V340 A374 | T329-Q336 VanDerWaalsContact O-CG 3.25Å; T329-Q336 WeakPolarHBondContact O-CG 3.32Å; T329-Q336 PolarHBondContact O-NE2 2.97Å; S332-Q336 WeakPolarHBondContact O-CG 3.46Å; S332-Q336 PolarHBondContact O-N 3.21Å; E333-Q336 VanDerWaalsContact CA-OE1 3.3Å; E333-Q336 PolarHBondContact O-N 2.85Å; E334-Q336 VanDerWaalsContact C-N 3.33Å; E334-Q336 PolarHBondContact O-N 3.07Å; Q336-L339 PolarHBondContact O-N 3.27Å; Q336-V340 WeakPolarHBondContact O-CG2 3.49Å; Q336-V340 PolarHBondContact O-N 2.74Å; Q336-V340 VanDerWaalsContact O-N 3.14Å; Q336-A374 HydrophobicContact CB-CB 4.16Å; Q336-A374 HydrophobicContact CG-CB 4.36Å |
| 337 | S | 92.8 | Very high | 94.1 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 33% | 0.329 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 175.8 | -55 | 0 | 0 | 0 | 0 | 111.3 | E333 E334 H335 L339 V340 D341 | E333-S337 WeakPolarHBondContact O-CB 3.43Å; E333-S337 PolarHBondContact O-N 3.39Å; E333-S337 PolarHBondContact O-OG 2.62Å; E334-S337 WeakPolarHBondContact O-CB 3.38Å; E334-S337 PolarHBondContact O-N 3Å; H335-S337 VanDerWaalsContact C-N 3.34Å; S337-L339 VanDerWaalsContact C-N 3.26Å; S337-L339 PolarHBondContact O-N 3.36Å; S337-V340 WeakPolarHBondContact O-CA 3.11Å; S337-V340 WeakPolarHBondContact O-CB 3.48Å; S337-V340 PolarHBondContact O-N 2.95Å; S337-D341 PolarHBondContact O-N 3.41Å |
| 338 | Q | 94.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.7 | -36.3 | 175 | -66.8 | 174.3 | 11.2 | 0 | 0 | 113.1 | A296 V301 Y302 E334 C342 | A296-Q338 PolarHBondContact O-NE2 3.04Å; V301-Q338 HydrophobicContact CB-CB 3.92Å; V301-Q338 HydrophobicContact CG1-CB 4.22Å; Y302-Q338 HydrophobicContact CD2-CB 4.31Å; Y302-Q338 HydrophobicContact CD2-CG 4.23Å; Y302-Q338 HydrophobicContact CE2-CB 3.85Å; Y302-Q338 HydrophobicContact CE2-CG 3.55Å; E334-Q338 VanDerWaalsContact O-CG 3.26Å; E334-Q338 WeakPolarHBondContact O-CG 3.16Å; E334-Q338 PolarHBondContact O-N 3.17Å; E334-Q338 PolarHBondContact OE1-NE2 3.38Å; Q338-C342 WeakPolarHBondContact O-CB 3.37Å; Q338-C342 PolarHBondContact O-N 3.4Å; Q338-C342 VanDerWaalsContact O-N 3.14Å; Q338-C342 PolarHBondContact O-SG 2.83Å |
| 339 | L | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.2 | -34.8 | 175.5 | -170.1 | 67.2 | 0 | 0 | 0 | 112.5 | V301 I325 T329 H335 Q336 S337 C342 G344 I367 | V301-L339 HydrophobicContact CG1-CB 3.83Å; V301-L339 HydrophobicContact CG1-CD1 3.9Å; V301-L339 HydrophobicContact CG1-CG 4.48Å; I325-L339 HydrophobicContact CG2-CD1 4.15Å; I325-L339 HydrophobicContact CG2-CD2 4.27Å; T329-L339 HydrophobicContact CG2-CB 4.34Å; T329-L339 HydrophobicContact CG2-CD2 4.08Å; H335-L339 PolarHBondContact O-N 3.1Å; H335-L339 VanDerWaalsContact O-N 3.1Å; Q336-L339 PolarHBondContact O-N 3.27Å; S337-L339 VanDerWaalsContact C-N 3.26Å; S337-L339 PolarHBondContact O-N 3.36Å; L339-C342 PolarHBondContact O-SG 3.34Å; L339-C342 VanDerWaalsContact O-SG 3.38Å; L339-G344 VanDerWaalsContact O-CA 3.28Å; L339-G344 WeakPolarHBondContact O-CA 3.37Å; L339-G344 PolarHBondContact O-N 3.4Å; L339-I367 HydrophobicContact CD2-CG2 3.28Å |
| 340 | V | 92.8 | Very high | 93.8 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 42% | 0.424 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.2 | -49.6 | 175 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | Q336 S337 C342 G343 L345 | Q336-V340 WeakPolarHBondContact O-CG2 3.49Å; Q336-V340 PolarHBondContact O-N 2.74Å; Q336-V340 VanDerWaalsContact O-N 3.14Å; S337-V340 WeakPolarHBondContact O-CA 3.11Å; S337-V340 WeakPolarHBondContact O-CB 3.48Å; S337-V340 PolarHBondContact O-N 2.95Å; V340-C342 VanDerWaalsContact C-N 3.3Å; V340-C342 PolarHBondContact O-N 3.29Å; V340-G343 PolarHBondContact O-N 3.38Å; V340-L345 HydrophobicContact CG2-CD1 3.95Å; V340-L345 HydrophobicContact CG2-CG 4.21Å |
| 341 | D | 92.5 | Very high | 93.8 | Very high | 115 Ų | 115 | 43.1 Ų | 43.1 | 62% | 0.615 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.3 | -36.3 | -177.2 | -69.5 | -20.1 | 0 | 0 | 0 | 112.9 | Y302 S337 G343 | Y302-D341 HydrophobicContact CE1-CB 4.18Å; Y302-D341 WeakPolarHBondContact OH-CB 3.25Å; Y302-D341 PolarHBondContact OH-OD2 3.34Å; S337-D341 PolarHBondContact O-N 3.41Å; D341-G343 PolarHBondContact O-N 3.05Å |
| 342 | C | 93.6 | Very high | 93.7 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 19% | 0.189 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 1.6 | 177.1 | 81 | 0 | 0 | 0 | 0 | 114.4 | Y302 F305 Q338 L339 V340 | Y302-C342 HydrophobicContact CD1-CB 3.64Å; Y302-C342 HydrophobicContact CE1-CB 3.85Å; F305-C342 HydrophobicContact CD1-CB 3.9Å; F305-C342 VanDerWaalsContact CD1-SG 3.57Å; F305-C342 HydrophobicContact CE1-CB 4.29Å; F305-C342 WeakPolarHBondContact CE1-O 3.39Å; F305-C342 HydrophobicContact CG-CB 4.33Å; F305-C342 WeakPolarHBondContact CG-SG 3.43Å; F305-C342 WeakPolarHBondContact CZ-O 3.45Å; Q338-C342 WeakPolarHBondContact O-CB 3.37Å; Q338-C342 PolarHBondContact O-N 3.4Å; Q338-C342 VanDerWaalsContact O-N 3.14Å; Q338-C342 PolarHBondContact O-SG 2.83Å; L339-C342 PolarHBondContact O-SG 3.34Å; L339-C342 VanDerWaalsContact O-SG 3.38Å; V340-C342 VanDerWaalsContact C-N 3.3Å; V340-C342 PolarHBondContact O-N 3.29Å |
| 343 | G | 92.5 | Very high | 93.7 | Very high | 34 Ų | 34 | 48.2 Ų | 48.2 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 30.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V340 D341 P346 | V340-G343 PolarHBondContact O-N 3.38Å; D341-G343 PolarHBondContact O-N 3.05Å; G343-P346 WeakPolarHBondContact O-CD 3.49Å |
| 344 | G | 93.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.5 | -33.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | L339 I347 M348 | L339-G344 VanDerWaalsContact O-CA 3.28Å; L339-G344 WeakPolarHBondContact O-CA 3.37Å; L339-G344 PolarHBondContact O-N 3.4Å; G344-I347 PolarHBondContact O-N 3.22Å; G344-I347 VanDerWaalsContact O-N 3.15Å; G344-M348 WeakPolarHBondContact O-CG 3.41Å; G344-M348 PolarHBondContact O-N 3.48Å |
| 345 | L | 93.2 | Very high | 93.4 | Very high | 38 Ų | 38 | 47 Ų | 47 | 20% | 0.199 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | -176.6 | -58.8 | -177.3 | 0 | 0 | 0 | 113.5 | V340 I347 M348 I349 L368 C371 | V340-L345 HydrophobicContact CG2-CD1 3.95Å; V340-L345 HydrophobicContact CG2-CG 4.21Å; L345-I347 VanDerWaalsContact C-N 3.3Å; L345-I347 PolarHBondContact O-N 3.27Å; L345-M348 PolarHBondContact O-N 3.39Å; L345-I349 WeakPolarHBondContact O-CG1 3.32Å; L345-I349 PolarHBondContact O-N 3.04Å; L345-L368 HydrophobicContact CD2-CD2 3.95Å; L345-C371 HydrophobicContact CD2-CB 3.97Å |
| 346 | P | 93.9 | Very high | 93 | Very high | 80 Ų | 80 | 52.6 Ų | 52.6 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.3 | -43.3 | 172.3 | -28.1 | 35 | 0 | 0 | 0 | 113.5 | G343 I349 T350 | G343-P346 WeakPolarHBondContact O-CD 3.49Å; P346-I349 WeakPolarHBondContact O-CB 3.39Å; P346-I349 PolarHBondContact O-N 3.36Å; P346-T350 PolarHBondContact O-N 3.04Å; P346-T350 PolarHBondContact O-OG1 2.83Å |
| 347 | I | 94.1 | Very high | 92.9 | Very high | 53 Ų | 53 | 53.6 Ų | 53.6 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | -179.9 | -62.9 | -60.6 | 0 | 0 | 0 | 111.5 | F305 G344 L345 I349 T350 F351 | F305-I347 HydrophobicContact CE2-CB 4.03Å; F305-I347 HydrophobicContact CE2-CG1 3.8Å; F305-I347 HydrophobicContact CE2-CG2 4.29Å; F305-I347 HydrophobicContact CZ-CG1 3.95Å; G344-I347 PolarHBondContact O-N 3.22Å; G344-I347 VanDerWaalsContact O-N 3.15Å; L345-I347 VanDerWaalsContact C-N 3.3Å; L345-I347 PolarHBondContact O-N 3.27Å; I347-I349 VanDerWaalsContact C-N 3.33Å; I347-T350 PolarHBondContact O-N 2.91Å; I347-F351 HydrophobicContact CG2-CD2 3.78Å; I347-F351 HydrophobicContact CG2-CE2 3.36Å; I347-F351 HydrophobicContact CG2-CZ 4.17Å; I347-F351 WeakPolarHBondContact O-CD2 3.49Å; I347-F351 PolarHBondContact O-N 3.34Å |
| 348 | M | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 171.9 | -64.1 | -55.2 | 116.9 | 0 | 0 | 112 | L308 L322 G344 L345 F351 L352 A364 I367 L368 | L308-M348 HydrophobicContact CD2-CE 3.61Å; L322-M348 HydrophobicContact CD2-CE 3.72Å; L322-M348 HydrophobicContact CD2-SD 3.75Å; G344-M348 WeakPolarHBondContact O-CG 3.41Å; G344-M348 PolarHBondContact O-N 3.48Å; L345-M348 PolarHBondContact O-N 3.39Å; M348-F351 HydrophobicContact CE-CD2 4.32Å; M348-F351 PolarHBondContact O-N 3.21Å; M348-L352 WeakPolarHBondContact O-CB 3.45Å; M348-L352 PolarHBondContact O-N 2.93Å; M348-A364 WeakPolarHBondContact O-CB 3.24Å; M348-A364 HydrophobicContact SD-CB 4.4Å; M348-I367 HydrophobicContact CG-CB 4.41Å; M348-I367 HydrophobicContact CG-CG2 3.93Å; M348-I367 HydrophobicContact SD-CB 4.18Å; M348-I367 HydrophobicContact SD-CD1 3.53Å; M348-I367 VanDerWaalsContact SD-CD1 3.53Å; M348-I367 HydrophobicContact SD-CG1 4.47Å; M348-I367 HydrophobicContact SD-CG2 4.02Å; M348-L368 HydrophobicContact CB-CD1 4.1Å; M348-L368 HydrophobicContact CB-CD2 3.8Å; M348-L368 HydrophobicContact CB-CG 3.77Å |
| 349 | I | 93 | Very high | 92.8 | Very high | 88 Ų | 88 | 59.2 Ų | 59.2 | 45% | 0.451 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 175.4 | -66.5 | 164.3 | 0 | 0 | 0 | 110.2 | L345 P346 I347 F351 L352 T353 L368 | L345-I349 WeakPolarHBondContact O-CG1 3.32Å; L345-I349 PolarHBondContact O-N 3.04Å; P346-I349 WeakPolarHBondContact O-CB 3.39Å; P346-I349 PolarHBondContact O-N 3.36Å; I347-I349 VanDerWaalsContact C-N 3.33Å; I349-F351 PolarHBondContact O-N 3.47Å; I349-L352 WeakPolarHBondContact O-CB 3.43Å; I349-L352 PolarHBondContact O-N 3.28Å; I349-L352 VanDerWaalsContact O-N 3.08Å; I349-T353 HydrophobicContact CG2-CG2 4.45Å; I349-T353 PolarHBondContact O-N 2.92Å; I349-T353 PolarHBondContact O-OG1 3Å; I349-L368 HydrophobicContact CG1-CD1 4.05Å; I349-L368 HydrophobicContact CG1-CD2 4.26Å |
| 350 | T | 93.7 | Very high | 92.6 | Very high | 55 Ų | 55 | 59.3 Ų | 59.3 | 34% | 0.337 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.2 | -46.8 | 173.7 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | P346 I347 L352 T353 E354 | P346-T350 PolarHBondContact O-N 3.04Å; P346-T350 PolarHBondContact O-OG1 2.83Å; I347-T350 PolarHBondContact O-N 2.91Å; T350-L352 VanDerWaalsContact C-N 3.3Å; T350-L352 PolarHBondContact O-N 3.16Å; T350-T353 PolarHBondContact O-N 3.18Å; T350-T353 PolarHBondContact O-OG1 2.64Å; T350-E354 HydrophobicContact CG2-CB 4.41Å; T350-E354 HydrophobicContact CG2-CG 4.5Å; T350-E354 WeakPolarHBondContact O-CB 3.09Å; T350-E354 PolarHBondContact O-N 3.33Å |
| 351 | F | 93.4 | Very high | 92.7 | Very high | 27 Ų | 27 | 60.8 Ų | 60.8 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.3 | -34.4 | 176 | -73.8 | -48.9 | 0 | 0 | 0 | 113 | L308 L322 I347 M348 I349 D355 V360 R361 A364 | L308-F351 HydrophobicContact CD1-CE2 4.04Å; L308-F351 HydrophobicContact CD1-CZ 4.21Å; L308-F351 HydrophobicContact CD2-CE2 3.86Å; L308-F351 HydrophobicContact CG-CE2 3.92Å; L308-F351 HydrophobicContact CG-CZ 4.3Å; L322-F351 HydrophobicContact CD2-CD2 4.23Å; L322-F351 HydrophobicContact CD2-CE2 4.44Å; I347-F351 HydrophobicContact CG2-CD2 3.78Å; I347-F351 HydrophobicContact CG2-CE2 3.36Å; I347-F351 HydrophobicContact CG2-CZ 4.17Å; I347-F351 WeakPolarHBondContact O-CD2 3.49Å; I347-F351 PolarHBondContact O-N 3.34Å; M348-F351 HydrophobicContact CE-CD2 4.32Å; M348-F351 PolarHBondContact O-N 3.21Å; I349-F351 PolarHBondContact O-N 3.47Å; F351-D355 HydrophobicContact CD1-CB 4.31Å; F351-D355 VanDerWaalsContact O-CB 3.27Å; F351-D355 WeakPolarHBondContact O-CB 3.4Å; F351-D355 PolarHBondContact O-N 2.83Å; F351-V360 HydrophobicContact CB-CG1 4Å; F351-V360 HydrophobicContact CD1-CG1 4.09Å; F351-V360 HydrophobicContact CG-CG1 4.18Å; F351-R361 VanDerWaalsContact O-CG 3.31Å; F351-R361 WeakPolarHBondContact O-CG 3.5Å; F351-A364 HydrophobicContact CB-CB 3.95Å |
| 352 | L | 92.8 | Very high | 92.8 | Very high | 61 Ų | 61 | 60.1 Ų | 60.1 | 32% | 0.319 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 175.4 | 177.4 | 57.3 | 0 | 0 | 0 | 112.8 | M348 I349 T350 R361 A364 T365 L368 | M348-L352 WeakPolarHBondContact O-CB 3.45Å; M348-L352 PolarHBondContact O-N 2.93Å; I349-L352 WeakPolarHBondContact O-CB 3.43Å; I349-L352 PolarHBondContact O-N 3.28Å; I349-L352 VanDerWaalsContact O-N 3.08Å; T350-L352 VanDerWaalsContact C-N 3.3Å; T350-L352 PolarHBondContact O-N 3.16Å; L352-R361 HydrophobicContact CD1-CB 4.31Å; L352-R361 VanDerWaalsContact O-CD 3.28Å; L352-R361 WeakPolarHBondContact O-CD 2.81Å; L352-R361 WeakPolarHBondContact O-CG 3.41Å; L352-A364 HydrophobicContact CB-CB 4.4Å; L352-T365 WeakPolarHBondContact CD1-OG1 3.32Å; L352-L368 HydrophobicContact CD2-CD1 3.98Å |
| 353 | T | 92.5 | Very high | 92.9 | Very high | 97 Ų | 97 | 59.1 Ų | 59.1 | 60% | 0.595 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -93.4 | -32.3 | -173.4 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | I349 T350 | I349-T353 HydrophobicContact CG2-CG2 4.45Å; I349-T353 PolarHBondContact O-N 2.92Å; I349-T353 PolarHBondContact O-OG1 3Å; T350-T353 PolarHBondContact O-N 3.18Å; T350-T353 PolarHBondContact O-OG1 2.64Å |
| 354 | E | 91.4 | Very high | 93.1 | Very high | 146 Ų | 146 | 57.5 Ų | 57.5 | 68% | 0.682 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -114.1 | -21.2 | -168 | -62.9 | 174.3 | -145.6 | 0 | 0 | 114.3 | T350 | T350-E354 HydrophobicContact CG2-CB 4.41Å; T350-E354 HydrophobicContact CG2-CG 4.5Å; T350-E354 WeakPolarHBondContact O-CB 3.09Å; T350-E354 PolarHBondContact O-N 3.33Å |
| 355 | D | 89 | Confident | 93.1 | Very high | 24 Ų | 24 | 59.7 Ų | 59.7 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | trans | -75.5 | 133.6 | -178.9 | -155.6 | -56.1 | 0 | 0 | 0 | 111.8 | R318 F351 S357 V360 R361 | R318-D355 IonicContact CZ-OD2 2.79Å; R318-D355 IonicContact NH1-OD2 3.04Å; R318-D355 PolarHBondContact NH1-OD2 3.31Å; F351-D355 HydrophobicContact CD1-CB 4.31Å; F351-D355 VanDerWaalsContact O-CB 3.27Å; F351-D355 WeakPolarHBondContact O-CB 3.4Å; F351-D355 PolarHBondContact O-N 2.83Å; D355-S357 VanDerWaalsContact C-N 3.3Å; D355-S357 PolarHBondContact O-N 2.93Å; D355-S357 WeakPolarHBondContact OD1-CB 3.42Å; D355-S357 PolarHBondContact OD1-N 3.44Å; D355-V360 HydrophobicContact CB-CB 4.47Å; D355-V360 HydrophobicContact CB-CG1 3.83Å; D355-R361 WeakPolarHBondContact O-CD 3.32Å | ||
| 356 | S | 87.9 | Confident | 93.2 | Very high | 119 Ų | 119 | 61.6 Ų | 61.6 | 83% | 0.832 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -69.9 | -22.8 | 176.7 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 357 | S | 91.2 | Very high | 93.3 | Very high | 39 Ų | 39 | 57.8 Ų | 57.8 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | trans | -80 | 123.6 | -177.6 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | D355 V360 R361 | D355-S357 VanDerWaalsContact C-N 3.3Å; D355-S357 PolarHBondContact O-N 2.93Å; D355-S357 WeakPolarHBondContact OD1-CB 3.42Å; D355-S357 PolarHBondContact OD1-N 3.44Å; S357-V360 PolarHBondContact O-N 3.09Å; S357-V360 PolarHBondContact OG-N 3.37Å; S357-R361 WeakPolarHBondContact O-CG 3.41Å; S357-R361 PolarHBondContact O-N 2.93Å; S357-R361 VanDerWaalsContact O-N 3.09Å | ||
| 358 | E | 92.9 | Very high | 93.3 | Very high | 86 Ų | 86 | 57 Ų | 57 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.5 | -32.2 | -178.9 | -165.8 | -90.6 | 175.4 | 0 | 0 | 112.3 | R361 K362 | E358-R361 PolarHBondContact O-N 2.93Å; E358-K362 VanDerWaalsContact CD-CE 3.48Å; E358-K362 WeakPolarHBondContact O-CG 3.33Å; E358-K362 PolarHBondContact O-N 3.38Å; E358-K362 WeakPolarHBondContact OE1-CE 3.35Å; E358-K362 IonicContact OE1-NZ 2.73Å; E358-K362 PolarHBondContact OE1-NZ 3.37Å; E358-K362 WeakPolarHBondContact OE2-CE 3.23Å; E358-K362 IonicContact OE2-NZ 3.94Å; E358-K362 PolarHBondContact OE2-NZ 2.99Å |
| 359 | D | 92.5 | Very high | 93.1 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.3 | -37.5 | 172.3 | -65 | -50.2 | 0 | 0 | 0 | 112.4 | L319 K362 A363 | L319-D359 HydrophobicContact CD1-CB 4.01Å; L319-D359 HydrophobicContact CD2-CB 3.78Å; D359-K362 WeakPolarHBondContact O-CB 3.25Å; D359-K362 PolarHBondContact O-N 3Å; D359-A363 PolarHBondContact O-N 3.17Å |
| 360 | V | 93.1 | Very high | 93 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 174.1 | 167.7 | 0 | 0 | 0 | 0 | 110.8 | L319 L322 F351 D355 S357 K362 A363 A364 | L319-V360 HydrophobicContact CB-CG2 4.43Å; L319-V360 HydrophobicContact CD1-CG2 4.47Å; L322-V360 HydrophobicContact CD1-CB 4.35Å; L322-V360 HydrophobicContact CD1-CG1 3.73Å; L322-V360 HydrophobicContact CD1-CG2 4.27Å; F351-V360 HydrophobicContact CB-CG1 4Å; F351-V360 HydrophobicContact CD1-CG1 4.09Å; F351-V360 HydrophobicContact CG-CG1 4.18Å; D355-V360 HydrophobicContact CB-CB 4.47Å; D355-V360 HydrophobicContact CB-CG1 3.83Å; S357-V360 PolarHBondContact O-N 3.09Å; S357-V360 PolarHBondContact OG-N 3.37Å; V360-K362 VanDerWaalsContact C-N 3.32Å; V360-K362 PolarHBondContact O-N 2.58Å; V360-A363 PolarHBondContact O-N 3.34Å; V360-A364 WeakPolarHBondContact O-CB 3.46Å; V360-A364 PolarHBondContact O-N 2.75Å |
| 361 | R | 93.9 | Very high | 92.7 | Very high | 100 Ų | 100 | 55.8 Ų | 55.8 | 38% | 0.377 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 175.8 | -69.6 | -175 | -59.2 | 177.7 | 6.3 | 112.4 | F351 L352 D355 S357 E358 T365 | F351-R361 VanDerWaalsContact O-CG 3.31Å; F351-R361 WeakPolarHBondContact O-CG 3.5Å; L352-R361 HydrophobicContact CD1-CB 4.31Å; L352-R361 VanDerWaalsContact O-CD 3.28Å; L352-R361 WeakPolarHBondContact O-CD 2.81Å; L352-R361 WeakPolarHBondContact O-CG 3.41Å; D355-R361 WeakPolarHBondContact O-CD 3.32Å; S357-R361 WeakPolarHBondContact O-CG 3.41Å; S357-R361 PolarHBondContact O-N 2.93Å; S357-R361 VanDerWaalsContact O-N 3.09Å; E358-R361 PolarHBondContact O-N 2.93Å; R361-T365 WeakPolarHBondContact O-CB 3.46Å; R361-T365 PolarHBondContact O-N 2.96Å; R361-T365 PolarHBondContact O-OG1 2.91Å |
| 362 | K | 95.3 | Very high | 92.1 | Very high | 102 Ų | 102 | 61 Ų | 61 | 44% | 0.443 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 172.4 | -82.5 | 168.4 | 168.1 | 152 | 0 | 112.1 | E358 D359 V360 T365 F366 | E358-K362 VanDerWaalsContact CD-CE 3.48Å; E358-K362 WeakPolarHBondContact O-CG 3.33Å; E358-K362 PolarHBondContact O-N 3.38Å; E358-K362 WeakPolarHBondContact OE1-CE 3.35Å; E358-K362 IonicContact OE1-NZ 2.73Å; E358-K362 PolarHBondContact OE1-NZ 3.37Å; E358-K362 WeakPolarHBondContact OE2-CE 3.23Å; E358-K362 IonicContact OE2-NZ 3.94Å; E358-K362 PolarHBondContact OE2-NZ 2.99Å; D359-K362 WeakPolarHBondContact O-CB 3.25Å; D359-K362 PolarHBondContact O-N 3Å; V360-K362 VanDerWaalsContact C-N 3.32Å; V360-K362 PolarHBondContact O-N 2.58Å; K362-T365 WeakPolarHBondContact O-CB 3.49Å; K362-T365 PolarHBondContact O-N 2.74Å; K362-F366 WeakPolarHBondContact O-CB 3.16Å; K362-F366 PolarHBondContact O-N 2.93Å |
| 363 | A | 95.4 | Very high | 91.1 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | L319 L322 L323 D359 V360 T365 F366 I367 | L319-A363 HydrophobicContact CD1-CB 4.14Å; L322-A363 HydrophobicContact CB-CB 3.92Å; L323-A363 HydrophobicContact CD2-CB 4.41Å; D359-A363 PolarHBondContact O-N 3.17Å; V360-A363 PolarHBondContact O-N 3.34Å; A363-T365 PolarHBondContact O-N 3.13Å; A363-F366 WeakPolarHBondContact O-CB 3.17Å; A363-F366 PolarHBondContact O-N 3.32Å; A363-I367 WeakPolarHBondContact O-CD1 3.47Å; A363-I367 VanDerWaalsContact O-CG1 3.29Å; A363-I367 WeakPolarHBondContact O-CG1 3.31Å; A363-I367 PolarHBondContact O-N 2.87Å |
| 364 | A | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M348 F351 L352 V360 F366 I367 L368 | M348-A364 WeakPolarHBondContact O-CB 3.24Å; M348-A364 HydrophobicContact SD-CB 4.4Å; F351-A364 HydrophobicContact CB-CB 3.95Å; L352-A364 HydrophobicContact CB-CB 4.4Å; V360-A364 WeakPolarHBondContact O-CB 3.46Å; V360-A364 PolarHBondContact O-N 2.75Å; A364-F366 VanDerWaalsContact C-N 3.33Å; A364-F366 PolarHBondContact O-N 3.36Å; A364-I367 PolarHBondContact O-N 3.4Å; A364-L368 WeakPolarHBondContact O-CG 3.43Å; A364-L368 PolarHBondContact O-N 3.41Å |
| 365 | T | 95.1 | Very high | 88.6 | Confident | 46 Ų | 46 | 59.5 Ų | 59.5 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 173.9 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | L352 R361 K362 A363 L368 Q369 | L352-T365 WeakPolarHBondContact CD1-OG1 3.32Å; R361-T365 WeakPolarHBondContact O-CB 3.46Å; R361-T365 PolarHBondContact O-N 2.96Å; R361-T365 PolarHBondContact O-OG1 2.91Å; K362-T365 WeakPolarHBondContact O-CB 3.49Å; K362-T365 PolarHBondContact O-N 2.74Å; A363-T365 PolarHBondContact O-N 3.13Å; T365-L368 PolarHBondContact O-N 3.29Å; T365-Q369 VanDerWaalsContact O-CG 3.32Å; T365-Q369 WeakPolarHBondContact O-CG 3.36Å; T365-Q369 PolarHBondContact O-N 2.63Å |
| 366 | F | 95.2 | Very high | 87.5 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 34% | 0.342 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | -179.7 | 175.6 | -101.2 | 0 | 0 | 0 | 111.7 | E330 K362 A363 A364 L368 Q369 T370 | E330-F366 HydrophobicContact CB-CE1 4.43Å; E330-F366 HydrophobicContact CB-CZ 4.12Å; E330-F366 HydrophobicContact CG-CZ 4.4Å; K362-F366 WeakPolarHBondContact O-CB 3.16Å; K362-F366 PolarHBondContact O-N 2.93Å; A363-F366 WeakPolarHBondContact O-CB 3.17Å; A363-F366 PolarHBondContact O-N 3.32Å; A364-F366 VanDerWaalsContact C-N 3.33Å; A364-F366 PolarHBondContact O-N 3.36Å; F366-L368 VanDerWaalsContact C-N 3.33Å; F366-L368 PolarHBondContact O-N 3.33Å; F366-Q369 WeakPolarHBondContact O-CA 3.5Å; F366-Q369 WeakPolarHBondContact O-CB 3.39Å; F366-Q369 PolarHBondContact O-N 2.83Å; F366-T370 HydrophobicContact CE1-CG2 4.15Å; F366-T370 HydrophobicContact CE2-CG2 4.44Å; F366-T370 HydrophobicContact CZ-CG2 4.1Å; F366-T370 PolarHBondContact O-N 2.96Å |
| 367 | I | 96.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -43.1 | 176.7 | -63.7 | 159.3 | 0 | 0 | 0 | 111.3 | L322 I325 L339 M348 A363 A364 Q369 T370 C371 | L322-I367 HydrophobicContact CB-CD1 4.42Å; L322-I367 HydrophobicContact CD2-CD1 3.96Å; L322-I367 WeakPolarHBondContact O-CD1 3.5Å; I325-I367 HydrophobicContact CB-CD1 4.25Å; I325-I367 HydrophobicContact CG2-CD1 4.01Å; I325-I367 HydrophobicContact CG2-CG1 4.27Å; I325-I367 HydrophobicContact CG2-CG2 4.16Å; L339-I367 HydrophobicContact CD2-CG2 3.28Å; M348-I367 HydrophobicContact CG-CB 4.41Å; M348-I367 HydrophobicContact CG-CG2 3.93Å; M348-I367 HydrophobicContact SD-CB 4.18Å; M348-I367 HydrophobicContact SD-CD1 3.53Å; M348-I367 VanDerWaalsContact SD-CD1 3.53Å; M348-I367 HydrophobicContact SD-CG1 4.47Å; M348-I367 HydrophobicContact SD-CG2 4.02Å; A363-I367 WeakPolarHBondContact O-CD1 3.47Å; A363-I367 VanDerWaalsContact O-CG1 3.29Å; A363-I367 WeakPolarHBondContact O-CG1 3.31Å; A363-I367 PolarHBondContact O-N 2.87Å; A364-I367 PolarHBondContact O-N 3.4Å; I367-Q369 VanDerWaalsContact C-N 3.3Å; I367-Q369 PolarHBondContact O-N 2.74Å; I367-T370 PolarHBondContact O-N 3.34Å; I367-T370 PolarHBondContact O-OG1 3.34Å; I367-C371 PolarHBondContact O-N 3.09Å; I367-C371 VanDerWaalsContact O-N 3.12Å; I367-C371 PolarHBondContact O-SG 2.82Å |
| 368 | L | 94 | Very high | 84.3 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -35.2 | 175.4 | -71.8 | 171.2 | 0 | 0 | 0 | 112.2 | L345 M348 I349 L352 A364 T365 F366 K372 | L345-L368 HydrophobicContact CD2-CD2 3.95Å; M348-L368 HydrophobicContact CB-CD1 4.1Å; M348-L368 HydrophobicContact CB-CD2 3.8Å; M348-L368 HydrophobicContact CB-CG 3.77Å; I349-L368 HydrophobicContact CG1-CD1 4.05Å; I349-L368 HydrophobicContact CG1-CD2 4.26Å; L352-L368 HydrophobicContact CD2-CD1 3.98Å; A364-L368 WeakPolarHBondContact O-CG 3.43Å; A364-L368 PolarHBondContact O-N 3.41Å; T365-L368 PolarHBondContact O-N 3.29Å; F366-L368 VanDerWaalsContact C-N 3.33Å; F366-L368 PolarHBondContact O-N 3.33Å; L368-K372 WeakPolarHBondContact O-CB 3.45Å; L368-K372 PolarHBondContact O-N 3.03Å |
| 369 | Q | 91.7 | Very high | 82.3 | Confident | 112 Ų | 112 | 62.1 Ų | 62.1 | 52% | 0.523 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70 | -37.2 | 175.5 | -73.8 | 177.5 | 10.8 | 0 | 0 | 112.9 | T365 F366 I367 K372 K373 | T365-Q369 VanDerWaalsContact O-CG 3.32Å; T365-Q369 WeakPolarHBondContact O-CG 3.36Å; T365-Q369 PolarHBondContact O-N 2.63Å; F366-Q369 WeakPolarHBondContact O-CA 3.5Å; F366-Q369 WeakPolarHBondContact O-CB 3.39Å; F366-Q369 PolarHBondContact O-N 2.83Å; I367-Q369 VanDerWaalsContact C-N 3.3Å; I367-Q369 PolarHBondContact O-N 2.74Å; Q369-K372 PolarHBondContact O-N 3.21Å; Q369-K373 WeakPolarHBondContact O-CG 3.32Å; Q369-K373 PolarHBondContact O-N 3.15Å |
| 370 | T | 90.3 | Very high | 80 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 175 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | T329 E330 F366 I367 K372 K373 A374 | T329-T370 WeakPolarHBondContact CB-OG1 3.44Å; T329-T370 WeakPolarHBondContact O-CB 3.29Å; T329-T370 PolarHBondContact OG1-OG1 3.36Å; E330-T370 HydrophobicContact CB-CG2 3.98Å; F366-T370 HydrophobicContact CE1-CG2 4.15Å; F366-T370 HydrophobicContact CE2-CG2 4.44Å; F366-T370 HydrophobicContact CZ-CG2 4.1Å; F366-T370 PolarHBondContact O-N 2.96Å; I367-T370 PolarHBondContact O-N 3.34Å; I367-T370 PolarHBondContact O-OG1 3.34Å; T370-K372 VanDerWaalsContact C-N 3.33Å; T370-K372 PolarHBondContact O-N 3.25Å; T370-K373 WeakPolarHBondContact O-CB 3.3Å; T370-K373 PolarHBondContact O-N 3.48Å; T370-K373 VanDerWaalsContact O-N 3.17Å; T370-A374 PolarHBondContact O-N 3.34Å |
| 371 | C | 87.1 | Confident | 77.5 | Confident | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.02 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.1 | -33.5 | 177 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | L345 I367 K373 A374 M375 | L345-C371 HydrophobicContact CD2-CB 3.97Å; I367-C371 PolarHBondContact O-N 3.09Å; I367-C371 VanDerWaalsContact O-N 3.12Å; I367-C371 PolarHBondContact O-SG 2.82Å; C371-K373 VanDerWaalsContact C-N 3.34Å; C371-K373 PolarHBondContact O-N 3.42Å; C371-A374 WeakPolarHBondContact O-CB 3.29Å; C371-A374 PolarHBondContact O-N 3.41Å; C371-M375 WeakPolarHBondContact O-CG 3.39Å; C371-M375 PolarHBondContact O-N 3.1Å |
| 372 | K | 79.8 | Confident | 75 | Confident | 136 Ų | 136 | 70.5 Ų | 70.5 | 59% | 0.591 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.4 | -38.2 | 173.8 | -178.2 | 177.6 | 177.3 | -179.9 | 0 | 112.5 | L368 Q369 T370 A374 M375 L376 | L368-K372 WeakPolarHBondContact O-CB 3.45Å; L368-K372 PolarHBondContact O-N 3.03Å; Q369-K372 PolarHBondContact O-N 3.21Å; T370-K372 VanDerWaalsContact C-N 3.33Å; T370-K372 PolarHBondContact O-N 3.25Å; K372-A374 VanDerWaalsContact C-N 3.31Å; K372-M375 PolarHBondContact O-N 2.93Å; K372-L376 HydrophobicContact CG-CD1 4.09Å; K372-L376 VanDerWaalsContact O-CG 3.32Å; K372-L376 WeakPolarHBondContact O-CG 3.48Å; K372-L376 PolarHBondContact O-N 3.48Å |
| 373 | K | 71.8 | Confident | 72.3 | Confident | 136 Ų | 136 | 72.4 Ų | 72.4 | 59% | 0.591 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | 174.6 | -67.9 | 172.7 | -174.3 | 173.7 | 0 | 110.3 | Q369 T370 C371 L376 S377 | Q369-K373 WeakPolarHBondContact O-CG 3.32Å; Q369-K373 PolarHBondContact O-N 3.15Å; T370-K373 WeakPolarHBondContact O-CB 3.3Å; T370-K373 PolarHBondContact O-N 3.48Å; T370-K373 VanDerWaalsContact O-N 3.17Å; C371-K373 VanDerWaalsContact C-N 3.34Å; C371-K373 PolarHBondContact O-N 3.42Å; K373-L376 CarbonylContact O-C 3.56Å; K373-L376 PolarHBondContact O-N 3.33Å; K373-S377 PolarHBondContact O-N 3.12Å; K373-S377 PolarHBondContact O-OG 3.23Å |
| 374 | A | 66.3 | Low | 69.3 | Low | 8 Ų | 8 | 79.8 Ų | 79.8 | 7% | 0.066 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -55 | -53.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q336 T370 C371 K372 L376 S377 L378 | Q336-A374 HydrophobicContact CB-CB 4.16Å; Q336-A374 HydrophobicContact CG-CB 4.36Å; T370-A374 PolarHBondContact O-N 3.34Å; C371-A374 WeakPolarHBondContact O-CB 3.29Å; C371-A374 PolarHBondContact O-N 3.41Å; K372-A374 VanDerWaalsContact C-N 3.31Å; A374-L376 PolarHBondContact O-N 2.95Å; A374-L376 VanDerWaalsContact O-N 3.14Å; A374-S377 WeakPolarHBondContact CA-OG 3.34Å; A374-S377 PolarHBondContact O-N 3.08Å; A374-S377 PolarHBondContact O-OG 3.47Å; A374-L378 HydrophobicContact CB-CD1 4.45Å; A374-L378 WeakPolarHBondContact O-CD1 3.41Å; A374-L378 PolarHBondContact O-N 3.43Å |
| 375 | M | 65.8 | Low | 66.5 | Low | 129 Ų | 129 | 88.6 Ų | 88.6 | 64% | 0.635 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63 | -26.1 | -178.5 | -66.1 | -179.1 | 75.4 | 0 | 0 | 112.1 | C371 K372 G379 | C371-M375 WeakPolarHBondContact O-CG 3.39Å; C371-M375 PolarHBondContact O-N 3.1Å; K372-M375 PolarHBondContact O-N 2.93Å; M375-G379 WeakPolarHBondContact O-CA 3.27Å; M375-G379 PolarHBondContact O-N 3.3Å; M375-G379 VanDerWaalsContact O-N 3.1Å |
| 376 | L | 66.8 | Low | 63.7 | Low | 112 Ų | 112 | 96.2 Ų | 96.2 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -85.5 | -28.3 | 174.5 | -65.6 | 171.5 | 0 | 0 | 0 | 113.3 | K372 K373 A374 V380 | K372-L376 HydrophobicContact CG-CD1 4.09Å; K372-L376 VanDerWaalsContact O-CG 3.32Å; K372-L376 WeakPolarHBondContact O-CG 3.48Å; K372-L376 PolarHBondContact O-N 3.48Å; K373-L376 CarbonylContact O-C 3.56Å; K373-L376 PolarHBondContact O-N 3.33Å; A374-L376 PolarHBondContact O-N 2.95Å; A374-L376 VanDerWaalsContact O-N 3.14Å; L376-V380 WeakPolarHBondContact O-CG2 3.34Å |
| 377 | S | 57.9 | Low | 60.8 | Low | 57 Ų | 57 | 98 Ų | 98 | 40% | 0.399 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.4 | -49.5 | 172.1 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | E333 K373 A374 G379 V380 | E333-S377 PolarHBondContact OE1-OG 3.4Å; K373-S377 PolarHBondContact O-N 3.12Å; K373-S377 PolarHBondContact O-OG 3.23Å; A374-S377 WeakPolarHBondContact CA-OG 3.34Å; A374-S377 PolarHBondContact O-N 3.08Å; A374-S377 PolarHBondContact O-OG 3.47Å; S377-G379 PolarHBondContact O-N 2.84Å; S377-V380 PolarHBondContact O-N 3.22Å |
| 378 | L | 53.5 | Low | 57.9 | Low | 97 Ų | 97 | 102.2 Ų | 102.2 | 51% | 0.508 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -33.1 | 172.5 | -79.6 | 97.4 | 0 | 0 | 0 | 112.2 | A374 V380 H381 G382 | A374-L378 HydrophobicContact CB-CD1 4.45Å; A374-L378 WeakPolarHBondContact O-CD1 3.41Å; A374-L378 PolarHBondContact O-N 3.43Å; L378-V380 PolarHBondContact O-N 3.21Å; L378-H381 PolarHBondContact O-N 3.23Å; L378-G382 PolarHBondContact O-N 3.2Å |
| 379 | G | 49.8 | Very low | 55.3 | Low | 57 Ų | 57 | 109.1 Ų | 109.1 | 59% | 0.588 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | M375 S377 | M375-G379 WeakPolarHBondContact O-CA 3.27Å; M375-G379 PolarHBondContact O-N 3.3Å; M375-G379 VanDerWaalsContact O-N 3.1Å; S377-G379 PolarHBondContact O-N 2.84Å |
| 380 | V | 46.2 | Very low | 53 | Low | 112 Ų | 112 | 111.3 Ų | 111.3 | 68% | 0.679 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -16.5 | -178.6 | 173.8 | 0 | 0 | 0 | 0 | 113.9 | L376 S377 L378 | L376-V380 WeakPolarHBondContact O-CG2 3.34Å; S377-V380 PolarHBondContact O-N 3.22Å; L378-V380 PolarHBondContact O-N 3.21Å |
| 381 | H | 40.5 | Very low | 50.3 | Low | 189 Ų | 189 | 118.3 Ų | 118.3 | 88% | 0.875 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.6 | -1.9 | -175.6 | -93.4 | 15.7 | 0 | 0 | 0 | 117 | L378 | L378-H381 PolarHBondContact O-N 3.23Š|
| 382 | G | 40.8 | Very low | 48.1 | Very low | 60 Ų | 60 | 126.8 Ų | 126.8 | 62% | 0.619 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -98.9 | -46.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | L378 | L378-G382 PolarHBondContact O-N 3.2Š|
| 383 | L | 38.1 | Very low | 46.2 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -130.7 | 1.7 | -152.6 | -112.1 | 108.9 | 0 | 0 | 0 | 117.8 | ||
| 384 | M | 33 | Very low | 44.8 | Very low | 162 Ų | 162 | 125.3 Ų | 125.3 | 80% | 0.798 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -89.6 | -15.1 | 178.1 | -70.4 | -102.6 | 74.2 | 0 | 0 | 114.2 | ||
| 385 | E | 37.8 | Very low | 44.2 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -98.1 | 2.1 | -170.5 | -89.7 | -171.6 | 164.6 | 0 | 0 | 116.2 | ||
| 386 | K | 36.2 | Very low | 43.9 | Very low | 206 Ų | 206 | 129.1 Ų | 129.1 | 90% | 0.896 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -129.8 | 9.7 | 179.6 | -73.9 | -170.2 | 177.1 | 176.8 | 0 | 116.8 | ||
| 387 | Q | 32.7 | Very low | 43.6 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 54% | 0.542 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -122.7 | 7.8 | 168 | -79.5 | 178.5 | -71.9 | 0 | 0 | 113.8 | E389 N390 | Q387-E389 PolarHBondContact O-N 3.18Å; Q387-N390 PolarHBondContact O-N 2.9Å |
| 388 | A | 35.1 | Very low | 43.9 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 16.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 389 | E | 40.3 | Very low | 44.4 | Very low | 181 Ų | 181 | 131.8 Ų | 131.8 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | -4.7 | 176.5 | -75.3 | -163.8 | 153.1 | 0 | 0 | 115.5 | Q387 | Q387-E389 PolarHBondContact O-N 3.18Š|
| 390 | N | 42.8 | Very low | 45 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -151.1 | 66.6 | 175.7 | -79.5 | -73.2 | 0 | 0 | 0 | 112.9 | Q387 | Q387-N390 PolarHBondContact O-N 2.9Š|
| 391 | E | 34.6 | Very low | 46.1 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 70% | 0.696 | 70% | 0.695 | S | S | * | * | trans | -126.7 | 139.6 | 162 | -72.9 | -163.9 | 147.1 | 0 | 0 | 111.5 | ||||
| 392 | E | 40.8 | Very low | 47.9 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 85% | 0.85 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 162.2 | 178.1 | -66.3 | -177.3 | 133.5 | 0 | 0 | 111.8 | ||
| 393 | P | 38.8 | Very low | 49.8 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 142.1 | -175.6 | -22.6 | 33.5 | 0 | 0 | 0 | 112.7 | L395 | P393-L395 PolarHBondContact O-N 3.43Š|
| 394 | P | 42.7 | Very low | 51.6 | Low | 126 Ų | 126 | 125.6 Ų | 125.6 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 125.7 | -178 | 24.7 | -34 | 0 | 0 | 0 | 111 | N396 | P394-N396 PolarHBondContact O-N 2.93Š|
| 395 | L | 54.6 | Low | 54 | Low | 143 Ų | 143 | 123.5 Ų | 123.5 | 75% | 0.749 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 130 | 179.6 | -78.7 | 166 | 0 | 0 | 0 | 111.2 | P393 I397 | P393-L395 PolarHBondContact O-N 3.43Å; L395-I397 PolarHBondContact O-N 2.83Å |
| 396 | N | 57.9 | Low | 56.2 | Low | 73 Ų | 73 | 118.2 Ų | 118.2 | 39% | 0.39 | 61% | 0.608 | S | S | . | * | trans | -70.8 | 85.6 | -173.6 | -173.8 | -0.5 | 0 | 0 | 0 | 111.8 | P394 E398 E399 F400 | P394-N396 PolarHBondContact O-N 2.93Å; N396-E398 PolarHBondContact O-N 3.23Å; N396-E398 WeakPolarHBondContact OD1-CB 3.45Å; N396-E398 PolarHBondContact OD1-N 3.48Å; N396-E399 HydrophobicContact CB-CB 4.15Å; N396-E399 WeakPolarHBondContact CB-OE2 3.46Å; N396-E399 VanDerWaalsContact ND2-CG 3.28Å; N396-E399 WeakPolarHBondContact ND2-CG 3.37Å; N396-E399 PolarHBondContact ND2-OE2 3.28Å; N396-E399 WeakPolarHBondContact O-CB 3.47Å; N396-E399 PolarHBondContact O-N 3.43Å; N396-E399 PolarHBondContact OD1-N 2.84Å; N396-F400 WeakPolarHBondContact O-CD2 3.23Å; N396-F400 PolarHBondContact O-N 3.46Å | ||
| 397 | I | 60.6 | Low | 58.5 | Low | 118 Ų | 118 | 112.8 Ų | 112.8 | 61% | 0.605 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -54.5 | -26.8 | 176.5 | -70.4 | 167.5 | 0 | 0 | 0 | 111.8 | L395 F400 K401 | L395-I397 PolarHBondContact O-N 2.83Å; I397-F400 PolarHBondContact O-N 3.49Å; I397-K401 HydrophobicContact CG2-CD 4.41Å; I397-K401 WeakPolarHBondContact O-CG 3.25Å; I397-K401 PolarHBondContact O-N 2.99Å |
| 398 | E | 65.1 | Low | 61 | Low | 81 Ų | 81 | 111.8 Ų | 111.8 | 38% | 0.379 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -76.1 | -30.4 | 178.8 | -150.4 | 57.3 | -138.8 | 0 | 0 | 112.6 | N396 K401 N402 R405 | N396-E398 PolarHBondContact O-N 3.23Å; N396-E398 WeakPolarHBondContact OD1-CB 3.45Å; N396-E398 PolarHBondContact OD1-N 3.48Å; E398-K401 PolarHBondContact O-N 2.96Å; E398-K401 VanDerWaalsContact OE2-CD 3.27Å; E398-K401 WeakPolarHBondContact OE2-CD 3.24Å; E398-K401 IonicContact OE2-NZ 2.68Å; E398-K401 PolarHBondContact OE2-NZ 3.45Å; E398-N402 WeakPolarHBondContact O-CB 3.4Å; E398-N402 PolarHBondContact O-N 3.32Å; E398-N402 PolarHBondContact O-ND2 3.24Å; E398-N402 VanDerWaalsContact O-ND2 3.13Å; E398-R405 IonicContact OE1-CZ 3.77Å; E398-R405 IonicContact OE1-NH1 2.65Å; E398-R405 IonicContact OE1-NH2 2.65Å; E398-R405 PolarHBondContact OE1-NH2 3.38Å |
| 399 | E | 62.9 | Low | 63.3 | Low | 124 Ų | 124 | 115.4 Ų | 115.4 | 58% | 0.579 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.3 | -41.8 | 168.1 | -95.3 | 171.9 | 151.7 | 0 | 0 | 112 | N396 N402 S403 | N396-E399 HydrophobicContact CB-CB 4.15Å; N396-E399 WeakPolarHBondContact CB-OE2 3.46Å; N396-E399 VanDerWaalsContact ND2-CG 3.28Å; N396-E399 WeakPolarHBondContact ND2-CG 3.37Å; N396-E399 PolarHBondContact ND2-OE2 3.28Å; N396-E399 WeakPolarHBondContact O-CB 3.47Å; N396-E399 PolarHBondContact O-N 3.43Å; N396-E399 PolarHBondContact OD1-N 2.84Å; E399-N402 PolarHBondContact O-N 2.96Å; E399-S403 WeakPolarHBondContact O-CB 3.49Å; E399-S403 PolarHBondContact O-N 3.5Å |
| 400 | F | 64.1 | Low | 65.4 | Low | 136 Ų | 136 | 113.7 Ų | 113.7 | 60% | 0.596 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.9 | -39.8 | 175.1 | -71 | -73.4 | 0 | 0 | 0 | 112.3 | N396 I397 S403 A404 | N396-F400 WeakPolarHBondContact O-CD2 3.23Å; N396-F400 PolarHBondContact O-N 3.46Å; I397-F400 PolarHBondContact O-N 3.49Å; F400-S403 PolarHBondContact O-N 2.81Å; F400-A404 WeakPolarHBondContact O-CB 3.5Å; F400-A404 PolarHBondContact O-N 3.4Å |
| 401 | K | 69.4 | Low | 67.4 | Low | 97 Ų | 97 | 110.1 Ų | 110.1 | 42% | 0.422 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 171.3 | -71.6 | 169.4 | -172.4 | 165 | 0 | 112.3 | I397 E398 A404 R405 | I397-K401 HydrophobicContact CG2-CD 4.41Å; I397-K401 WeakPolarHBondContact O-CG 3.25Å; I397-K401 PolarHBondContact O-N 2.99Å; E398-K401 PolarHBondContact O-N 2.96Å; E398-K401 VanDerWaalsContact OE2-CD 3.27Å; E398-K401 WeakPolarHBondContact OE2-CD 3.24Å; E398-K401 IonicContact OE2-NZ 2.68Å; E398-K401 PolarHBondContact OE2-NZ 3.45Å; K401-A404 PolarHBondContact O-N 3.04Å; K401-R405 WeakPolarHBondContact O-CB 3.34Å; K401-R405 VanDerWaalsContact O-CG 3.27Å; K401-R405 WeakPolarHBondContact O-CG 3.44Å; K401-R405 PolarHBondContact O-N 3.27Å; K401-R405 PolarHBondContact O-NE 3.4Å |
| 402 | N | 77.6 | Confident | 69.7 | Low | 85 Ų | 85 | 108.4 Ų | 108.4 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 175.3 | -74.2 | -26.9 | 0 | 0 | 0 | 111.6 | E398 E399 R405 E406 | E398-N402 WeakPolarHBondContact O-CB 3.4Å; E398-N402 PolarHBondContact O-N 3.32Å; E398-N402 PolarHBondContact O-ND2 3.24Å; E398-N402 VanDerWaalsContact O-ND2 3.13Å; E399-N402 PolarHBondContact O-N 2.96Å; N402-R405 PolarHBondContact O-N 2.99Å; N402-R405 PolarHBondContact OD1-NE 3.25Å; N402-R405 PolarHBondContact OD1-NH2 3.38Å; N402-E406 WeakPolarHBondContact O-CB 3.49Å; N402-E406 PolarHBondContact O-N 2.93Å |
| 403 | S | 80.6 | Confident | 71.6 | Confident | 63 Ų | 63 | 105 Ų | 105 | 44% | 0.441 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 175.6 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | E399 F400 R405 E406 I407 | E399-S403 WeakPolarHBondContact O-CB 3.49Å; E399-S403 PolarHBondContact O-N 3.5Å; F400-S403 PolarHBondContact O-N 2.81Å; S403-R405 PolarHBondContact O-N 3.06Å; S403-E406 PolarHBondContact O-N 3.49Å; S403-I407 VanDerWaalsContact O-CG1 3.3Å; S403-I407 WeakPolarHBondContact O-CG1 3.13Å; S403-I407 PolarHBondContact O-N 3.49Å |
| 404 | A | 75.8 | Confident | 73.4 | Confident | 49 Ų | 49 | 104.8 Ų | 104.8 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F400 K401 E406 I407 I408 | F400-A404 WeakPolarHBondContact O-CB 3.5Å; F400-A404 PolarHBondContact O-N 3.4Å; K401-A404 PolarHBondContact O-N 3.04Å; A404-E406 VanDerWaalsContact C-N 3.31Å; A404-E406 PolarHBondContact O-N 2.95Å; A404-I407 PolarHBondContact O-N 2.94Å; A404-I408 WeakPolarHBondContact O-CG1 3.2Å; A404-I408 PolarHBondContact O-N 3.29Å |
| 405 | R | 82.8 | Confident | 75.1 | Confident | 119 Ų | 119 | 104.2 Ų | 104.2 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 174.5 | -75.9 | -177.1 | -77 | -124.3 | 3.7 | 112.2 | E398 K401 N402 S403 R409 | E398-R405 IonicContact OE1-CZ 3.77Å; E398-R405 IonicContact OE1-NH1 2.65Å; E398-R405 IonicContact OE1-NH2 2.65Å; E398-R405 PolarHBondContact OE1-NH2 3.38Å; K401-R405 WeakPolarHBondContact O-CB 3.34Å; K401-R405 VanDerWaalsContact O-CG 3.27Å; K401-R405 WeakPolarHBondContact O-CG 3.44Å; K401-R405 PolarHBondContact O-N 3.27Å; K401-R405 PolarHBondContact O-NE 3.4Å; N402-R405 PolarHBondContact O-N 2.99Å; N402-R405 PolarHBondContact OD1-NE 3.25Å; N402-R405 PolarHBondContact OD1-NH2 3.38Å; S403-R405 PolarHBondContact O-N 3.06Å; R405-R409 WeakPolarHBondContact O-CG 3.09Å; R405-R409 PolarHBondContact O-N 3.38Å |
| 406 | E | 85.4 | Confident | 76 | Confident | 73 Ų | 73 | 104.5 Ų | 104.5 | 34% | 0.341 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.6 | -39.5 | 176.8 | 176.8 | 60.7 | -169.2 | 0 | 0 | 112.4 | N402 S403 A404 R409 R410 | N402-E406 WeakPolarHBondContact O-CB 3.49Å; N402-E406 PolarHBondContact O-N 2.93Å; S403-E406 PolarHBondContact O-N 3.49Å; A404-E406 VanDerWaalsContact C-N 3.31Å; A404-E406 PolarHBondContact O-N 2.95Å; E406-R409 PolarHBondContact O-N 3.13Å; E406-R410 WeakPolarHBondContact O-CG 3.29Å; E406-R410 PolarHBondContact O-N 3.46Å; E406-R410 VanDerWaalsContact O-N 3.09Å; E406-R410 IonicContact OE1-CZ 3.77Å; E406-R410 IonicContact OE1-NE 2.97Å; E406-R410 PolarHBondContact OE1-NE 3.43Å; E406-R410 IonicContact OE1-NH2 3.15Å; E406-R410 PolarHBondContact OE1-NH2 2.99Å |
| 407 | I | 83.4 | Confident | 76.5 | Confident | 92 Ų | 92 | 103.8 Ų | 103.8 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 175.1 | -70.1 | 164.2 | 0 | 0 | 0 | 110.8 | S403 A404 R409 R410 I411 | S403-I407 VanDerWaalsContact O-CG1 3.3Å; S403-I407 WeakPolarHBondContact O-CG1 3.13Å; S403-I407 PolarHBondContact O-N 3.49Å; A404-I407 PolarHBondContact O-N 2.94Å; I407-R409 PolarHBondContact O-N 3.38Å; I407-R410 PolarHBondContact O-N 3.48Å; I407-I411 HydrophobicContact CG2-CD1 3.99Å; I407-I411 WeakPolarHBondContact O-CG1 3.25Å; I407-I411 PolarHBondContact O-N 3.25Å |
| 408 | I | 86.6 | Confident | 76.6 | Confident | 95 Ų | 95 | 103.8 Ų | 103.8 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 176.4 | -69.4 | 166.7 | 0 | 0 | 0 | 111 | A404 R410 I411 E412 | A404-I408 WeakPolarHBondContact O-CG1 3.2Å; A404-I408 PolarHBondContact O-N 3.29Å; I408-R410 VanDerWaalsContact C-N 3.26Å; I408-R410 PolarHBondContact O-N 3.3Å; I408-I411 WeakPolarHBondContact O-CB 3.49Å; I408-I411 PolarHBondContact O-N 3.01Å; I408-I411 VanDerWaalsContact O-N 3.11Å; I408-E412 HydrophobicContact CG2-CG 4.44Å; I408-E412 WeakPolarHBondContact O-CG 3.31Å; I408-E412 PolarHBondContact O-N 3.16Å |
| 409 | R | 82.2 | Confident | 76.2 | Confident | 164 Ų | 164 | 106.2 Ų | 106.2 | 62% | 0.619 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.5 | -34.5 | 176.6 | -74.8 | 176.3 | 177 | 168.9 | -1.5 | 113.5 | R405 E406 I407 L413 | R405-R409 WeakPolarHBondContact O-CG 3.09Å; R405-R409 PolarHBondContact O-N 3.38Å; E406-R409 PolarHBondContact O-N 3.13Å; I407-R409 PolarHBondContact O-N 3.38Å; R409-L413 WeakPolarHBondContact O-CB 3.37Å; R409-L413 PolarHBondContact O-N 2.96Å |
| 410 | R | 84.7 | Confident | 76 | Confident | 146 Ų | 146 | 107 Ų | 107 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.2 | -37.1 | 176.3 | -70.6 | 175.3 | -171.1 | -168 | 2.9 | 112 | E406 I407 I408 L413 L414 | E406-R410 WeakPolarHBondContact O-CG 3.29Å; E406-R410 PolarHBondContact O-N 3.46Å; E406-R410 VanDerWaalsContact O-N 3.09Å; E406-R410 IonicContact OE1-CZ 3.77Å; E406-R410 IonicContact OE1-NE 2.97Å; E406-R410 PolarHBondContact OE1-NE 3.43Å; E406-R410 IonicContact OE1-NH2 3.15Å; E406-R410 PolarHBondContact OE1-NH2 2.99Å; I407-R410 PolarHBondContact O-N 3.48Å; I408-R410 VanDerWaalsContact C-N 3.26Å; I408-R410 PolarHBondContact O-N 3.3Å; R410-L413 PolarHBondContact O-N 2.85Å; R410-L414 WeakPolarHBondContact O-CB 3.37Å; R410-L414 WeakPolarHBondContact O-CD1 3.34Å; R410-L414 VanDerWaalsContact O-CG 3.23Å; R410-L414 WeakPolarHBondContact O-CG 3.47Å; R410-L414 PolarHBondContact O-N 3.36Å |
| 411 | I | 84.7 | Confident | 75.5 | Confident | 83 Ų | 83 | 106.1 Ų | 106.1 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -51.7 | 173.4 | -66.1 | 164.5 | 0 | 0 | 0 | 109.7 | I407 I408 L413 L414 E415 | I407-I411 HydrophobicContact CG2-CD1 3.99Å; I407-I411 WeakPolarHBondContact O-CG1 3.25Å; I407-I411 PolarHBondContact O-N 3.25Å; I408-I411 WeakPolarHBondContact O-CB 3.49Å; I408-I411 PolarHBondContact O-N 3.01Å; I408-I411 VanDerWaalsContact O-N 3.11Å; I411-L413 VanDerWaalsContact C-N 3.26Å; I411-L413 PolarHBondContact O-N 3.42Å; I411-L414 PolarHBondContact O-N 3.41Å; I411-L414 VanDerWaalsContact O-N 3.11Å; I411-E415 HydrophobicContact CG2-CG 4.36Å; I411-E415 WeakPolarHBondContact O-CG 3.45Å; I411-E415 PolarHBondContact O-N 2.74Å |
| 412 | E | 82.8 | Confident | 74.8 | Confident | 112 Ų | 112 | 107 Ų | 107 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.2 | -38.3 | 176.5 | -69.1 | 173.9 | 171 | 0 | 0 | 112.6 | I408 K416 | I408-E412 HydrophobicContact CG2-CG 4.44Å; I408-E412 WeakPolarHBondContact O-CG 3.31Å; I408-E412 PolarHBondContact O-N 3.16Å; E412-K416 VanDerWaalsContact O-CB 3.26Å; E412-K416 WeakPolarHBondContact O-CB 3.39Å; E412-K416 PolarHBondContact O-N 2.76Å; E412-K416 VanDerWaalsContact O-N 3.12Å |
| 413 | L | 81.7 | Confident | 73.5 | Confident | 112 Ų | 112 | 105.6 Ų | 105.6 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.4 | -42.7 | 176.9 | -174.2 | 65.6 | 0 | 0 | 0 | 112.2 | R409 R410 I411 K416 T417 | R409-L413 WeakPolarHBondContact O-CB 3.37Å; R409-L413 PolarHBondContact O-N 2.96Å; R410-L413 PolarHBondContact O-N 2.85Å; I411-L413 VanDerWaalsContact C-N 3.26Å; I411-L413 PolarHBondContact O-N 3.42Å; L413-K416 PolarHBondContact O-N 3.23Å; L413-T417 PolarHBondContact O-N 3.13Å; L413-T417 PolarHBondContact O-OG1 3.01Å |
| 414 | L | 76.4 | Confident | 72.1 | Confident | 110 Ų | 110 | 110.6 Ų | 110.6 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.2 | -43.8 | 178.1 | -73.8 | 167.2 | 0 | 0 | 0 | 111.7 | R410 I411 K416 T417 Q418 | R410-L414 WeakPolarHBondContact O-CB 3.37Å; R410-L414 WeakPolarHBondContact O-CD1 3.34Å; R410-L414 VanDerWaalsContact O-CG 3.23Å; R410-L414 WeakPolarHBondContact O-CG 3.47Å; R410-L414 PolarHBondContact O-N 3.36Å; I411-L414 PolarHBondContact O-N 3.41Å; I411-L414 VanDerWaalsContact O-N 3.11Å; L414-K416 VanDerWaalsContact C-N 3.28Å; L414-K416 PolarHBondContact O-N 2.94Å; L414-T417 PolarHBondContact O-N 3.35Å; L414-Q418 PolarHBondContact O-N 3.13Å |
| 415 | E | 76.8 | Confident | 70.7 | Confident | 114 Ų | 114 | 116.4 Ų | 116.4 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.2 | -41.9 | 173.5 | -71 | 174.1 | 167 | 0 | 0 | 111.2 | I411 T417 L419 | I411-E415 HydrophobicContact CG2-CG 4.36Å; I411-E415 WeakPolarHBondContact O-CG 3.45Å; I411-E415 PolarHBondContact O-N 2.74Å; E415-T417 PolarHBondContact O-N 3.45Å; E415-L419 WeakPolarHBondContact O-CB 3.32Å; E415-L419 WeakPolarHBondContact O-CG 3.29Å; E415-L419 PolarHBondContact O-N 3.19Å |
| 416 | K | 74.6 | Confident | 68.9 | Low | 148 Ų | 148 | 119 Ų | 119 | 64% | 0.643 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.2 | -15.1 | 176.7 | -161 | 172 | -170.4 | 173.2 | 0 | 114.1 | E412 L413 L414 | E412-K416 VanDerWaalsContact O-CB 3.26Å; E412-K416 WeakPolarHBondContact O-CB 3.39Å; E412-K416 PolarHBondContact O-N 2.76Å; E412-K416 VanDerWaalsContact O-N 3.12Å; L413-K416 PolarHBondContact O-N 3.23Å; L414-K416 VanDerWaalsContact C-N 3.28Å; L414-K416 PolarHBondContact O-N 2.94Å |
| 417 | T | 68.3 | Low | 66.8 | Low | 59 Ų | 59 | 124.7 Ų | 124.7 | 36% | 0.362 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -90.3 | -42.3 | 175.1 | -49.8 | 0 | 0 | 0 | 0 | 110.6 | L413 L414 E415 L419 K420 E421 | L413-T417 PolarHBondContact O-N 3.13Å; L413-T417 PolarHBondContact O-OG1 3.01Å; L414-T417 PolarHBondContact O-N 3.35Å; E415-T417 PolarHBondContact O-N 3.45Å; T417-L419 VanDerWaalsContact C-N 3.28Å; T417-L419 PolarHBondContact O-N 3.36Å; T417-K420 WeakPolarHBondContact O-CA 3.46Å; T417-K420 WeakPolarHBondContact O-CB 3.47Å; T417-K420 PolarHBondContact O-N 3.25Å; T417-E421 PolarHBondContact O-N 2.9Å |
| 418 | Q | 61.9 | Low | 64.6 | Low | 117 Ų | 117 | 127.4 Ų | 127.4 | 55% | 0.547 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.1 | -37.7 | 171.1 | -69.7 | -174.8 | 16.9 | 0 | 0 | 112.2 | L414 K420 E421 I422 | L414-Q418 PolarHBondContact O-N 3.13Å; Q418-K420 PolarHBondContact O-N 3.13Å; Q418-E421 PolarHBondContact O-N 2.87Å; Q418-I422 WeakPolarHBondContact O-CD1 3.38Å; Q418-I422 VanDerWaalsContact O-CG1 3.27Å; Q418-I422 WeakPolarHBondContact O-CG1 3.39Å; Q418-I422 PolarHBondContact O-N 3.39Å; Q418-I422 VanDerWaalsContact O-N 3.08Å |
| 419 | L | 57.9 | Low | 62.3 | Low | 133 Ų | 133 | 130.3 Ų | 130.3 | 70% | 0.696 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.7 | -12.9 | 173.4 | -76.9 | 167.6 | 0 | 0 | 0 | 114.5 | E415 T417 | E415-L419 WeakPolarHBondContact O-CB 3.32Å; E415-L419 WeakPolarHBondContact O-CG 3.29Å; E415-L419 PolarHBondContact O-N 3.19Å; T417-L419 VanDerWaalsContact C-N 3.28Å; T417-L419 PolarHBondContact O-N 3.36Å |
| 420 | K | 58.1 | Low | 59.9 | Low | 140 Ų | 140 | 130.8 Ų | 130.8 | 61% | 0.609 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -94.1 | -42.7 | 171.1 | -73.1 | -175.3 | 170.7 | -164.9 | 0 | 112.2 | T417 Q418 I422 G423 E424 | T417-K420 WeakPolarHBondContact O-CA 3.46Å; T417-K420 WeakPolarHBondContact O-CB 3.47Å; T417-K420 PolarHBondContact O-N 3.25Å; Q418-K420 PolarHBondContact O-N 3.13Å; K420-I422 VanDerWaalsContact C-N 3.28Å; K420-I422 PolarHBondContact O-N 3.2Å; K420-G423 WeakPolarHBondContact O-CA 3.4Å; K420-G423 PolarHBondContact O-N 3.11Å; K420-E424 PolarHBondContact O-N 3.36Å |
| 421 | E | 54.5 | Low | 57.2 | Low | 118 Ų | 118 | 129.4 Ų | 129.4 | 55% | 0.551 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -59.8 | -39.6 | 177.7 | -69 | 172.2 | 155.1 | 0 | 0 | 111.3 | T417 Q418 G423 E424 E425 | T417-E421 PolarHBondContact O-N 2.9Å; Q418-E421 PolarHBondContact O-N 2.87Å; E421-G423 PolarHBondContact O-N 2.83Å; E421-E424 PolarHBondContact O-N 3.28Å; E421-E425 PolarHBondContact O-N 3.44Å |
| 422 | I | 54.5 | Low | 55.6 | Low | 115 Ų | 115 | 130.2 Ų | 130.2 | 59% | 0.59 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -65.3 | -21.3 | 174.2 | -64.6 | 165 | 0 | 0 | 0 | 112.7 | Q418 K420 | Q418-I422 WeakPolarHBondContact O-CD1 3.38Å; Q418-I422 VanDerWaalsContact O-CG1 3.27Å; Q418-I422 WeakPolarHBondContact O-CG1 3.39Å; Q418-I422 PolarHBondContact O-N 3.39Å; Q418-I422 VanDerWaalsContact O-N 3.08Å; K420-I422 VanDerWaalsContact C-N 3.28Å; K420-I422 PolarHBondContact O-N 3.2Å |
| 423 | G | 50.6 | Low | 53 | Low | 55 Ų | 55 | 131.9 Ų | 131.9 | 57% | 0.567 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -84.8 | -23.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K420 E421 | K420-G423 WeakPolarHBondContact O-CA 3.4Å; K420-G423 PolarHBondContact O-N 3.11Å; E421-G423 PolarHBondContact O-N 2.83Å |
| 424 | E | 50.3 | Low | 50.5 | Low | 168 Ų | 168 | 131.4 Ų | 131.4 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -99.1 | -17.4 | -175.2 | -67.9 | 178.9 | -173.3 | 0 | 0 | 112.9 | K420 E421 Q426 | K420-E424 PolarHBondContact O-N 3.36Å; E421-E424 PolarHBondContact O-N 3.28Å; E424-Q426 VanDerWaalsContact C-N 3.31Å; E424-Q426 PolarHBondContact O-N 3.21Å |
| 425 | E | 47 | Very low | 48.3 | Very low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 5 | 175.8 | -68.7 | -166.7 | 154.7 | 0 | 0 | 114.9 | E421 | E421-E425 PolarHBondContact O-N 3.44Š|
| 426 | Q | 43.9 | Very low | 46.1 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 2 | -170.5 | -162.3 | 135 | 88.3 | 0 | 0 | 115.5 | E424 | E424-Q426 VanDerWaalsContact C-N 3.31Å; E424-Q426 PolarHBondContact O-N 3.21Å |
| 427 | E | 42.2 | Very low | 44 | Very low | 193 Ų | 193 | 134.1 Ų | 134.1 | 90% | 0.902 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -100.8 | -10.5 | 178.1 | -119.5 | -179.4 | -173.7 | 0 | 0 | 115.1 | ||
| 428 | D | 37.2 | Very low | 42.3 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -118.1 | 136.4 | -177.8 | -111.4 | -32.1 | 0 | 0 | 0 | 114.4 | ||
| 429 | I | 38.5 | Very low | 41.2 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | trans | 98.8 | 90.7 | 169.6 | -53.3 | 161.4 | 0 | 0 | 0 | 116.8 | ||||
| 430 | L | 31.6 | Very low | 39.7 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 91% | 0.906 | 74% | 0.74 | S | S | * | * | trans | -66 | 140.2 | 153.1 | -70.8 | 156.2 | 0 | 0 | 0 | 111.2 | ||||
| 431 | C | 27.3 | Very low | 38.2 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -73.2 | 173.5 | 167.3 | -88.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 432 | P | 52.6 | Low | 37.6 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | cis | -134.2 | 177.7 | -13.8 | 29.3 | -7.8 | 0 | 0 | 0 | 114.3 | ||||
| 433 | N | 26.9 | Very low | 37.3 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | 174.1 | 142 | 115 | -89.1 | -31.6 | 0 | 0 | 0 | 116.9 | |||||
| 434 | S | 29.2 | Very low | 37 | Very low | 101 Ų | 101 | 144 Ų | 144 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 74.8 | 108.9 | 147.1 | -64.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 435 | V | 30.7 | Very low | 36.1 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | 59.5 | 126.9 | 112.4 | 171.4 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 436 | E | 30.7 | Very low | 35 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | cis | -164.3 | 174.7 | 12.4 | -133.2 | 178.2 | 144.3 | 0 | 0 | 113.5 | ||||
| 437 | L | 29.5 | Very low | 34.6 | Very low | 147 Ų | 147 | 146 Ų | 146 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 63.6 | 111.2 | 149.5 | -78.2 | 153.2 | 0 | 0 | 0 | 122.1 | ||||
| 438 | Q | 32.8 | Very low | 34.7 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | trans | -79.3 | 159.2 | 158.1 | -99.9 | -159.6 | 13.5 | 0 | 0 | 111.9 | F440 | Q438-F440 VanDerWaalsContact OE1-CE2 3.28Š| ||
| 439 | P | 38.8 | Very low | 34.3 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | -149.2 | 159.7 | 89.4 | 36.3 | -16.7 | 0 | 0 | 0 | 118.3 | |||||
| 440 | F | 27 | Very low | 33.9 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | -50.4 | 161.7 | 160.4 | -72 | -100.3 | 0 | 0 | 0 | 112.7 | Q438 | Q438-F440 VanDerWaalsContact OE1-CE2 3.28Š| ||
| 441 | K | 26.6 | Very low | 33.7 | Very low | 189 Ų | 189 | 139 Ų | 139 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | cis | -166.7 | -159.3 | 43.9 | -142.8 | 177.8 | -173.8 | 174.5 | 0 | 110.7 | ||||
| 442 | P | 42.8 | Very low | 33.7 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -114.3 | -141.8 | -134 | 45 | -24.2 | 0 | 0 | 0 | 113 | ||||
| 443 | P | 46.5 | Very low | 32.6 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | -109.5 | -130.3 | -58.4 | 38.6 | -19.7 | 0 | 0 | 0 | 108.9 | |||||
| 444 | P | 46.2 | Very low | 32.6 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | cis | -127.5 | 175.3 | -44 | 39.6 | -23.9 | 0 | 0 | 0 | 115.4 | ||||
| 445 | L | 29.9 | Very low | 32.6 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | 63.6 | 133.8 | 140.2 | -88.1 | 163.3 | 0 | 0 | 0 | 124.8 | ||||
| 446 | R | 25 | Very low | 32.5 | Very low | 236 Ų | 236 | 146.6 Ų | 146.6 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | trans | 97 | 125.2 | 153.9 | -66.6 | -178 | -177.3 | -171.7 | 1.7 | 120.6 | ||||
| 447 | L | 34.1 | Very low | 32.3 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | -76.5 | 176.4 | 159.7 | -68.7 | 159.9 | 0 | 0 | 0 | 110.3 | ||||
| 448 | P | 44.1 | Very low | 32.2 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | cis | -148 | 177.4 | 15.5 | 46 | -27 | 0 | 0 | 0 | 119.6 | ||||
| 449 | A | 29.9 | Very low | 31.9 | Very low | 85 Ų | 85 | 141 Ų | 141 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | 89.7 | 151.7 | 134.7 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 450 | Q | 29.5 | Very low | 31.4 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | trans | 84.9 | 139.9 | 161.8 | -64.5 | -162.9 | 24.7 | 0 | 0 | 118.9 | ||||
| 451 | K | 28.4 | Very low | 31.4 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 62% | 0.617 | 76% | 0.763 | S | S | * | * | cis | -171.1 | 147.4 | -23 | -145.4 | -170.7 | -165.1 | -153.9 | 0 | 108.4 | E453 | K451-E453 VanDerWaalsContact CE-OE2 3.24Å; K451-E453 WeakPolarHBondContact CE-OE2 3.43Å; K451-E453 IonicContact NZ-OE1 3.51Å; K451-E453 IonicContact NZ-OE2 2.57Å; K451-E453 PolarHBondContact NZ-OE2 2.68Å | ||
| 452 | L | 27.4 | Very low | 31.4 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 94% | 0.937 | 77% | 0.765 | S | S | * | * | trans | -159 | 135.5 | 136.7 | -146.8 | 72.3 | 0 | 0 | 0 | 111.4 | ||||
| 453 | E | 29.6 | Very low | 31 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 65% | 0.654 | 77% | 0.768 | S | S | * | * | trans | -125.8 | 153 | -179.9 | -64.4 | 163.7 | 130.7 | 0 | 0 | 110 | K451 | K451-E453 VanDerWaalsContact CE-OE2 3.24Å; K451-E453 WeakPolarHBondContact CE-OE2 3.43Å; K451-E453 IonicContact NZ-OE1 3.51Å; K451-E453 IonicContact NZ-OE2 2.57Å; K451-E453 PolarHBondContact NZ-OE2 2.68Å | ||
| 454 | A | 25.7 | Very low | 30.1 | Very low | 96 Ų | 96 | 145 Ų | 145 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | -167.1 | 142.3 | 150 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 455 | N | 28.8 | Very low | 29.2 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | cis | -168.9 | 174.3 | -26 | -140.5 | -24.4 | 0 | 0 | 0 | 108.9 | ||||
| 456 | K | 28.5 | Very low | 29 | Very low | 185 Ų | 185 | 149 Ų | 149 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 80 | 138.4 | 172.3 | -50.7 | 178.8 | -179.9 | 177.8 | 0 | 115.7 | ||||
| 457 | T | 27 | Very low | 29.1 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | cis | -154.3 | 132 | 2.2 | -4.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 458 | T | 27.6 | Very low | 28.7 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | trans | 49.3 | 99.3 | 130.5 | -53.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 459 | S | 26.2 | Very low | 27.8 | Very low | 97 Ų | 97 | 139 Ų | 139 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | 96 | 155 | 84.5 | 95.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 460 | I | 28.8 | Very low | 27.8 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | cis | -162 | 150 | 3.3 | -131.5 | 161.7 | 0 | 0 | 0 | 111.4 | ||||
| 461 | L | 26.1 | Very low | 27.8 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | 56.4 | 129.8 | 153.1 | -63.9 | 162 | 0 | 0 | 0 | 125.7 | ||||
| 462 | R | 26.8 | Very low | 27.8 | Very low | 233 Ų | 233 | 140.8 Ų | 140.8 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -54 | -173.4 | 148.5 | -53 | 165.9 | 168.4 | 171.3 | -5 | 112.6 | ||||
| 463 | P | 34.5 | Very low | 27.8 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | cis | -142.2 | 171.2 | 3.1 | 34 | -10.1 | 0 | 0 | 0 | 118.7 | ||||
| 464 | I | 27.4 | Very low | 27.7 | Very low | 146 Ų | 146 | 139 Ų | 139 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | 12.1 | 118.7 | 141.7 | -48.1 | 167.9 | 0 | 0 | 0 | 119 | ||||
| 465 | H | 27.4 | Very low | 27.8 | Very low | 159 Ų | 159 | 143 Ų | 143 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | -179.5 | 128.2 | 118.5 | -109.6 | -78.9 | 0 | 0 | 0 | 117 | |||||
| 466 | K | 26.2 | Very low | 27.6 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | trans | 45.5 | 137.6 | 145.2 | -77 | -177.4 | 177.1 | -178.6 | 0 | 125 | ||||
| 467 | S | 26.1 | Very low | 27.5 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | 74.3 | 144.8 | 158.7 | 81.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 468 | S | 26.2 | Very low | 27.6 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | cis | -153.2 | 154.4 | 2.6 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 469 | G | 25.5 | Very low | 27.5 | Very low | 61 Ų | 61 | 145.6 Ų | 145.6 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | trans | 109.3 | 110.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 470 | D | 29.3 | Very low | 27.5 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | trans | 74.2 | 138.4 | 144 | -53.9 | -16.7 | 0 | 0 | 0 | 123.5 | ||||
| 471 | N | 30.3 | Very low | 27.4 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | 72.9 | 64.3 | 163.9 | -58.6 | -21.7 | 0 | 0 | 0 | 118.7 | ||||
| 472 | S | 28.6 | Very low | 27.5 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -80.6 | 137.1 | 158.6 | 54.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 473 | S | 28.2 | Very low | 27.5 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -51.9 | 153.1 | 179.4 | -173.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 474 | L | 26.8 | Very low | 27.1 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -124.4 | 128.3 | 173.3 | -136.2 | 161.8 | 0 | 0 | 0 | 110.6 | ||||
| 475 | Q | 26.8 | Very low | 27 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -66.8 | 153.9 | 176.7 | -62.9 | 169.2 | -53.3 | 0 | 0 | 111.8 | ||||
| 476 | L | 26 | Very low | 26.9 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | trans | -111.3 | 99 | 168.3 | -162.1 | 80.1 | 0 | 0 | 0 | 111.5 | ||||
| 477 | V | 25.6 | Very low | 26.9 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -133.4 | 117.6 | 159.4 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 478 | K | 29.9 | Very low | 26.9 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | 24.8 | 127.1 | 157.7 | -63.3 | 178.9 | 176.2 | 178.7 | 0 | 119.8 | ||||
| 479 | S | 24.5 | Very low | 26.9 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | -155.5 | 135 | 131.8 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 480 | M | 27.1 | Very low | 26.9 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -88.4 | 155.8 | 164.1 | -63.7 | 162.3 | 57.4 | 0 | 0 | 110.6 | ||||
| 481 | A | 27.3 | Very low | 26.8 | Very low | 87 Ų | 87 | 153.7 Ų | 153.7 | 72% | 0.719 | 83% | 0.826 | S | S | * | * | trans | -179.8 | 119.4 | 139.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 482 | E | 27 | Very low | 27.3 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | 63.6 | 147.5 | 101.5 | -64.2 | -160.2 | 123.1 | 0 | 0 | 114.7 | |||||
| 483 | V | 27.2 | Very low | 28.4 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | cis | -158.4 | 160.9 | 48.9 | -161.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 484 | K | 26.8 | Very low | 28.2 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | 97.7 | 105.2 | 159.8 | -57.7 | -178.1 | -177 | 175.1 | 0 | 115.2 | ||||
| 485 | K | 25.3 | Very low | 28.2 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | cis | 81.2 | 99.6 | 35 | -164.7 | -171.6 | -176.3 | 177.1 | 0 | 115 | ||||
| 486 | V | 24.3 | Very low | 28.5 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -138.4 | 140.7 | 135.7 | 176.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 487 | T | 26.6 | Very low | 28.7 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -125.6 | 136.4 | -175.4 | 42.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 488 | S | 25.1 | Very low | 29 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -179.9 | 150.8 | 153.3 | 51.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 489 | R | 26.6 | Very low | 29 | Very low | 224 Ų | 224 | 151 Ų | 151 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | cis | -175.2 | 136.9 | -32.2 | -119.7 | -175.5 | -176.1 | -172.4 | 1.9 | 106.4 | ||||
| 490 | L | 26.2 | Very low | 29.2 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | 67.2 | 150.4 | 148.7 | -61.2 | 166.6 | 0 | 0 | 0 | 122.3 | ||||
| 491 | I | 26.8 | Very low | 29.2 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -96.5 | -177 | -177.9 | 6.4 | 172.3 | 0 | 0 | 0 | 110.3 | ||||
| 492 | P | 41.1 | Very low | 29.2 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | cis | -129.1 | -115 | -17.3 | 27 | 0.5 | 0 | 0 | 0 | 113.8 | ||||
| 493 | P | 52 | Low | 29.3 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -121.1 | 178.2 | -136.9 | 38.7 | -17 | 0 | 0 | 0 | 116.7 | ||||
| 494 | G | 24.2 | Very low | 29.4 | Very low | 75 Ų | 75 | 145.2 Ų | 145.2 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | 123.7 | 159.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 495 | E | 25.4 | Very low | 29.5 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | cis | -157.1 | 179.9 | 1 | -147.9 | 174.1 | -166.4 | 0 | 0 | 109.8 | ||||
| 496 | E | 34.6 | Very low | 29.6 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 65% | 0.645 | 81% | 0.814 | S | S | * | * | trans | -63.8 | 159 | -177.3 | -52.7 | 178.8 | 149.3 | 0 | 0 | 114.8 | K498 | E496-K498 IonicContact OE1-NZ 2.96Å; E496-K498 IonicContact OE2-NZ 2.82Å; E496-K498 PolarHBondContact OE2-NZ 3.25Å | ||
| 497 | T | 30 | Very low | 29.8 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -140.4 | 122.3 | 144.4 | -52 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 498 | K | 32.1 | Very low | 29.9 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 65% | 0.652 | 80% | 0.8 | S | S | * | * | trans | -92.6 | 146.8 | -178.8 | -63.2 | 175.6 | 165.5 | 85.3 | 0 | 112.3 | E496 | E496-K498 IonicContact OE1-NZ 2.96Å; E496-K498 IonicContact OE2-NZ 2.82Å; E496-K498 PolarHBondContact OE2-NZ 3.25Å | ||
| 499 | R | 28.3 | Very low | 30 | Very low | 250 Ų | 250 | 147.5 Ų | 147.5 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | 154.7 | 146.1 | 145.2 | -91.3 | 171.3 | 177.7 | -164.2 | -0.3 | 108.9 | ||||
| 500 | S | 28.6 | Very low | 30 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | cis | -154.3 | 141.1 | -7.8 | 48.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 501 | G | 26.9 | Very low | 30 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | 99.5 | 120.2 | 73.1 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 502 | G | 27.4 | Very low | 29.9 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | 155.9 | 94.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 503 | D | 29.6 | Very low | 29.1 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -66.2 | 159.7 | 172 | -65.6 | -73 | 0 | 0 | 0 | 113 | ||||
| 504 | V | 30.5 | Very low | 27.9 | Very low | 143 Ų | 143 | 143 Ų | 143 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | -163.6 | 122 | 111.9 | 145.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 505 | M | 29 | Very low | 27.9 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -84.9 | 141.2 | 169.1 | 174.4 | 78.4 | 131.3 | 0 | 0 | 109.9 | ||||
| 506 | R | 26.8 | Very low | 27.9 | Very low | 242 Ų | 242 | 142.2 Ų | 142.2 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | trans | -138.7 | 128.3 | 146.6 | -160.7 | 178.1 | -71.9 | -168.6 | 0.4 | 110.5 | ||||
| 507 | S | 28.9 | Very low | 27.4 | Very low | 76 Ų | 76 | 140.9 Ų | 140.9 | 53% | 0.531 | 81% | 0.813 | S | S | . | * | trans | -117.2 | -165.1 | -175.7 | -168.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 508 | V | 27.3 | Very low | 27.1 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | 84.5 | 98.2 | 176.5 | -168.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 509 | K | 27.8 | Very low | 26.7 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | 91.9 | 125.6 | 51.9 | -79.1 | -179.3 | 177.6 | -178.2 | 0 | 113 | |||||
| 510 | S | 26.8 | Very low | 26.6 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | 149.3 | 134.9 | 133.4 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 511 | G | 25.5 | Very low | 26.3 | Very low | 68 Ų | 68 | 138.3 Ų | 138.3 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | cis | 159.6 | 127.4 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 512 | G | 24.2 | Very low | 26.2 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 77.6 | 158.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 513 | R | 25.2 | Very low | 25.9 | Very low | 243 Ų | 243 | 140.9 Ų | 140.9 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | cis | -150.2 | 151.4 | -8.4 | -85.6 | -169 | -174.2 | -161.4 | 2 | 111.4 | ||||
| 514 | I | 27.9 | Very low | 25.6 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -12.4 | 137.1 | 150.7 | -59.1 | 154.5 | 0 | 0 | 0 | 117.3 | ||||
| 515 | G | 23.3 | Very low | 25.2 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -155.1 | 138 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 516 | M | 25.2 | Very low | 25.1 | Very low | 174 Ų | 174 | 136 Ų | 136 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -106.2 | 158.6 | -170 | -67.2 | -179.8 | 66 | 0 | 0 | 113.9 | ||||
| 517 | S | 24 | Very low | 25 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 64.2 | 124.1 | 145.7 | -160.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 518 | S | 23.7 | Very low | 24.7 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | -166.5 | 119 | 110.7 | -169.6 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 519 | D | 24.8 | Very low | 24.6 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -64.5 | 139.1 | 154.9 | -63.1 | -71.5 | 0 | 0 | 0 | 109.2 | ||||
| 520 | V | 25.2 | Very low | 24.4 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 71% | 0.709 | 81% | 0.813 | S | S | * | * | trans | -139.3 | 101.6 | 154.1 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 521 | W | 22 | Very low | 24.3 | Very low | 243 Ų | 243 | 137.2 Ų | 137.2 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | trans | -73.5 | 129.4 | 157.4 | -78.4 | -13.9 | 0 | 0 | 0 | 109.2 | ||||
| 522 | S | 24.3 | Very low | 24.3 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -126.2 | 108.3 | 155 | -69.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 523 | S | 21.6 | Very low | 24.4 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -82.2 | 170.3 | 177.3 | -66.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 524 | E | 23.2 | Very low | 24.7 | Very low | 202 Ų | 202 | 138 Ų | 138 | 94% | 0.944 | 80% | 0.798 | S | S | * | * | trans | 81.8 | 114.3 | 163.5 | -56.4 | -170.4 | 144.7 | 0 | 0 | 117.7 | ||||
| 525 | G | 23.4 | Very low | 25 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 165.1 | 42.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | S527 | G525-S527 PolarHBondContact O-N 3.46Š| ||
| 526 | G | 25.9 | Very low | 25.8 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -68.2 | 123.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 527 | S | 25.2 | Very low | 26.7 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | -145.5 | 119.1 | 162.3 | -74.7 | 0 | 0 | 0 | 0 | 107.6 | G525 | G525-S527 PolarHBondContact O-N 3.46Š| ||
| 528 | E | 23 | Very low | 26.9 | Very low | 181 Ų | 181 | 125.3 Ų | 125.3 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | trans | -63.1 | 132.3 | 178 | -64 | 172.3 | 118.7 | 0 | 0 | 110.7 | H530 | E528-H530 PolarHBondContact O-N 2.96Š| ||
| 529 | P | 24.7 | Very low | 27.3 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | trans | -73 | 108.5 | 165.7 | 29.2 | -30.4 | 0 | 0 | 0 | 108.8 | M531 | P529-M531 PolarHBondContact O-N 3.23Š| ||
| 530 | H | 24.2 | Very low | 27.5 | Very low | 185 Ų | 185 | 125.3 Ų | 125.3 | 86% | 0.856 | 71% | 0.709 | S | S | * | * | trans | -51.9 | 124.2 | 171.1 | -97.2 | -83.8 | 0 | 0 | 0 | 110.8 | E528 E532 | E528-H530 PolarHBondContact O-N 2.96Å; H530-E532 PolarHBondContact O-N 2.89Å; H530-E532 VanDerWaalsContact O-N 3.15Å | ||
| 531 | M | 23.7 | Very low | 27.9 | Very low | 184 Ų | 184 | 123.7 Ų | 123.7 | 91% | 0.906 | 70% | 0.696 | S | S | * | * | trans | -71.8 | 102.6 | 174.1 | -71.3 | -108.5 | -91.4 | 0 | 0 | 110.3 | P529 | P529-M531 PolarHBondContact O-N 3.23Š| ||
| 532 | E | 25.9 | Very low | 28.1 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 62% | 0.621 | 68% | 0.684 | S | S | * | * | trans | -77.7 | 126.4 | 168.2 | -76.6 | -144.3 | 128.3 | 0 | 0 | 111.6 | K36 H530 N534 | K36-E532 IonicContact NZ-OE2 3.45Å; H530-E532 PolarHBondContact O-N 2.89Å; H530-E532 VanDerWaalsContact O-N 3.15Å; E532-N534 PolarHBondContact O-N 2.94Å | ||
| 533 | N | 26.2 | Very low | 28.4 | Very low | 140 Ų | 140 | 115.6 Ų | 115.6 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | trans | -70.4 | 109.4 | 173.5 | -88.3 | -47.9 | 0 | 0 | 0 | 111.1 | S535 | N533-S535 PolarHBondContact O-N 2.97Š| ||
| 534 | N | 31 | Very low | 28.7 | Very low | 132 Ų | 132 | 116.8 Ų | 116.8 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | trans | -69.7 | 24.7 | 171.9 | -98.6 | -32.1 | 0 | 0 | 0 | 114.4 | E532 L536 | E532-N534 PolarHBondContact O-N 2.94Å; N534-L536 VanDerWaalsContact C-N 3.29Å; N534-L536 PolarHBondContact O-N 2.83Å | ||
| 535 | S | 34.7 | Very low | 29.2 | Very low | 71 Ų | 71 | 111.6 Ų | 111.6 | 50% | 0.497 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -81.4 | 0.9 | -177.2 | 64.7 | 0 | 0 | 0 | 0 | 114.5 | N533 F537 S538 | N533-S535 PolarHBondContact O-N 2.97Å; S535-F537 PolarHBondContact O-N 3.18Å; S535-F537 VanDerWaalsContact O-N 3.13Å; S535-S538 PolarHBondContact O-N 3.02Å; S535-S538 PolarHBondContact O-OG 3.26Å; S535-S538 VanDerWaalsContact O-OG 3.08Å |
| 536 | L | 40.1 | Very low | 29.2 | Very low | 75 Ų | 75 | 112.3 Ų | 112.3 | 39% | 0.393 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -59.9 | -22.2 | 178.7 | -83.3 | 160.7 | 0 | 0 | 0 | 113.6 | K36 L40 N534 | K36-L536 VanDerWaalsContact CE-CD1 3.43Å; L40-L536 HydrophobicContact CD1-CD2 4.01Å; L40-L536 HydrophobicContact CD2-CD2 4.48Å; N534-L536 VanDerWaalsContact C-N 3.29Å; N534-L536 PolarHBondContact O-N 2.83Å |
| 537 | F | 44.1 | Very low | 29.1 | Very low | 30 Ų | 30 | 115.2 Ų | 115.2 | 13% | 0.132 | 62% | 0.619 | C | S | . | * | G | 310 helix | trans | -112.8 | 23.9 | -177 | -52.7 | -78.4 | 0 | 0 | 0 | 112.7 | F84 N120 R123 V124 S535 H539 | F84-F537 HydrophobicContact CB-CE1 4.42Å; F84-F537 HydrophobicContact CD2-CE1 4.42Å; F84-F537 HydrophobicContact CG-CE1 4.42Å; N120-F537 WeakPolarHBondContact ND2-CE2 3.48Å; N120-F537 VanDerWaalsContact ND2-CZ 3.26Å; N120-F537 WeakPolarHBondContact ND2-CZ 3.48Å; N120-F537 WeakPolarHBondContact OD1-CD2 3.42Å; N120-F537 VanDerWaalsContact OD1-CE2 3.22Å; N120-F537 WeakPolarHBondContact OD1-CE2 3.43Å; R123-F537 PolarHBondContact NH2-O 3.08Å; V124-F537 HydrophobicContact CG1-CD1 4Å; V124-F537 HydrophobicContact CG1-CE1 3.46Å; V124-F537 VanDerWaalsContact CG1-CE1 3.46Å; V124-F537 HydrophobicContact CG1-CZ 4.13Å; S535-F537 PolarHBondContact O-N 3.18Å; S535-F537 VanDerWaalsContact O-N 3.13Å; F537-H539 PolarHBondContact O-N 2.83Å |
| 538 | S | 27.5 | Very low | 29.1 | Very low | 81 Ų | 81 | 114 Ų | 114 | 57% | 0.566 | 61% | 0.608 | S | S | * | * | trans | -89.2 | 50.2 | 169.7 | 73.4 | 0 | 0 | 0 | 0 | 111.9 | S535 P540 | S535-S538 PolarHBondContact O-N 3.02Å; S535-S538 PolarHBondContact O-OG 3.26Å; S535-S538 VanDerWaalsContact O-OG 3.08Å; S538-P540 WeakPolarHBondContact O-CD 3.32Å | ||
| 539 | H | 33.2 | Very low | 29.2 | Very low | 153 Ų | 153 | 114.6 Ų | 114.6 | 71% | 0.708 | 61% | 0.608 | S | S | * | * | trans | -86.3 | 114.2 | 152.7 | -112.8 | -77.5 | 0 | 0 | 0 | 106.9 | F537 L541 | F537-H539 PolarHBondContact O-N 2.83Å; H539-L541 PolarHBondContact O-N 3.44Å | ||
| 540 | P | 28.4 | Very low | 29.2 | Very low | 91 Ų | 91 | 111.9 Ų | 111.9 | 59% | 0.591 | 60% | 0.602 | S | S | * | * | trans | -55.8 | 131.8 | 154.4 | -13.6 | 28.4 | 0 | 0 | 0 | 106.6 | S538 S542 | S538-P540 WeakPolarHBondContact O-CD 3.32Å; P540-S542 PolarHBondContact O-N 3.2Å; P540-S542 PolarHBondContact O-OG 2.88Å | ||
| 541 | L | 34.7 | Very low | 29.5 | Very low | 83 Ų | 83 | 110 Ų | 110 | 44% | 0.435 | 60% | 0.596 | S | S | . | * | trans | -66.9 | 82.1 | 157.9 | -70.9 | 166.8 | 0 | 0 | 0 | 105.6 | H539 V543 | H539-L541 PolarHBondContact O-N 3.44Å; L541-V543 VanDerWaalsContact C-N 3.28Å; L541-V543 PolarHBondContact O-N 3.3Å | ||
| 542 | S | 25.9 | Very low | 29.3 | Very low | 96 Ų | 96 | 112.1 Ų | 112.1 | 67% | 0.671 | 59% | 0.594 | S | S | * | * | trans | -65.3 | 86.7 | -172.2 | -65.9 | 0 | 0 | 0 | 0 | 110.2 | P540 W544 | P540-S542 PolarHBondContact O-N 3.2Å; P540-S542 PolarHBondContact O-OG 2.88Å; S542-W544 PolarHBondContact O-N 3.16Å | ||
| 543 | V | 29 | Very low | 29.2 | Very low | 92 Ų | 92 | 111.1 Ų | 111.1 | 56% | 0.558 | 60% | 0.601 | S | S | * | * | trans | 39.8 | 76.8 | 166.5 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | L541 L545 | L541-V543 VanDerWaalsContact C-N 3.28Å; L541-V543 PolarHBondContact O-N 3.3Å; V543-L545 HydrophobicContact CG1-CB 3.99Å; V543-L545 HydrophobicContact CG1-CD1 4.12Å; V543-L545 HydrophobicContact CG1-CG 4.39Å; V543-L545 PolarHBondContact O-N 2.81Å | ||
| 544 | W | 29.7 | Very low | 29.1 | Very low | 127 Ų | 127 | 110.2 Ų | 110.2 | 48% | 0.481 | 60% | 0.604 | S | S | . | * | trans | -75.6 | 62.2 | 169 | -151.1 | 69.4 | 0 | 0 | 0 | 110.9 | F130 A134 H135 S542 T546 | F130-W544 HydrophobicContact CZ-CE3 4.39Å; A134-W544 HydrophobicContact CB-CH2 4.32Å; H135-W544 AromaticContact CD2-CH2 3.73Å; H135-W544 AromaticContact CD2-CZ2 3.85Å; H135-W544 AromaticContact CE1-CH2 3.39Å; H135-W544 WeakPolarHBondContact CE1-CH2 3.36Å; H135-W544 AromaticContact ND1-CH2 3.94Å; H135-W544 AromaticContact NE2-CH2 3.25Å; H135-W544 WeakPolarHBondContact NE2-CH2 3.31Å; H135-W544 AromaticContact NE2-CZ2 3.45Å; H135-W544 WeakPolarHBondContact NE2-CZ2 3.29Å; S542-W544 PolarHBondContact O-N 3.16Å; W544-T546 VanDerWaalsContact C-N 3.32Å; W544-T546 PolarHBondContact NE1-OG1 3.22Å | ||
| 545 | L | 32 | Very low | 28.8 | Very low | 93 Ų | 93 | 114.6 Ų | 114.6 | 49% | 0.487 | 61% | 0.612 | S | S | . | * | trans | -100.5 | 44.7 | 160.8 | -86.4 | 165.5 | 0 | 0 | 0 | 109.4 | V543 K547 | V543-L545 HydrophobicContact CG1-CB 3.99Å; V543-L545 HydrophobicContact CG1-CD1 4.12Å; V543-L545 HydrophobicContact CG1-CG 4.39Å; V543-L545 PolarHBondContact O-N 2.81Å; L545-K547 PolarHBondContact O-N 2.99Å | ||
| 546 | T | 23.8 | Very low | 28.3 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 57% | 0.571 | 63% | 0.631 | S | S | * | * | trans | -67.3 | 90 | 154.6 | 36 | 0 | 0 | 0 | 0 | 108.2 | W544 | W544-T546 VanDerWaalsContact C-N 3.32Å; W544-T546 PolarHBondContact NE1-OG1 3.22Å | ||
| 547 | K | 25.1 | Very low | 27.5 | Very low | 143 Ų | 143 | 122.9 Ų | 122.9 | 62% | 0.622 | 66% | 0.655 | S | S | * | * | trans | 21.8 | 110 | 161.7 | -57.8 | -167.9 | 175.6 | -154.8 | 0 | 114.8 | D316 L545 K549 | D316-K547 IonicContact OD2-NZ 3.21Å; D316-K547 PolarHBondContact OD2-NZ 2.96Å; L545-K547 PolarHBondContact O-N 2.99Å; K547-K549 PolarHBondContact O-N 3.49Å; K547-K549 VanDerWaalsContact O-N 3.17Å | ||
| 548 | P | 24.6 | Very low | 26.6 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 58% | 0.584 | 69% | 0.692 | S | S | * | * | trans | -48.8 | 128.2 | 154.2 | -19.3 | 31.2 | 0 | 0 | 0 | 107.6 | G550 | P548-G550 VanDerWaalsContact C-N 3.3Å; P548-G550 PolarHBondContact O-N 3.43Å | ||
| 549 | K | 24.6 | Very low | 26.5 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 84% | 0.839 | 70% | 0.704 | S | S | * | * | trans | -67.6 | 96.5 | 173.5 | -82.4 | -176.9 | 175.3 | 178 | 0 | 107.7 | K547 I551 | K547-K549 PolarHBondContact O-N 3.49Å; K547-K549 VanDerWaalsContact O-N 3.17Å; K549-I551 PolarHBondContact O-N 3.01Å | ||
| 550 | G | 24.6 | Very low | 26.1 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 71% | 0.709 | S | S | * | * | trans | -51.6 | 137.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109 | P548 R552 | P548-G550 VanDerWaalsContact C-N 3.3Å; P548-G550 PolarHBondContact O-N 3.43Å; G550-R552 PolarHBondContact O-N 2.94Å | ||
| 551 | I | 30.3 | Very low | 26 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -71.3 | 91.4 | -176.7 | -60.4 | 169.5 | 0 | 0 | 0 | 109.2 | K549 | K549-I551 PolarHBondContact O-N 3.01Š|
| 552 | R | 21.1 | Very low | 25.6 | Very low | 230 Ų | 230 | 137 Ų | 137 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | trans | -166.8 | 155.6 | 151.7 | -159.4 | 151.5 | -86 | -171.2 | -6.4 | 114 | G550 | G550-R552 PolarHBondContact O-N 2.94Š| ||
| 553 | C | 23.3 | Very low | 25.6 | Very low | 112 Ų | 112 | 140 Ų | 140 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | -48.9 | 144.6 | -172.8 | -64.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 554 | C | 22.6 | Very low | 25.5 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 16.1 | 110.6 | 143.4 | -51.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 555 | Y | 25.6 | Very low | 25.2 | Very low | 223 Ų | 223 | 141.7 Ų | 141.7 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | -165.9 | 156.6 | 113.2 | 51.7 | -99.4 | 0 | 0 | 0 | 111.1 | |||||
| 556 | E | 24 | Very low | 24.9 | Very low | 193 Ų | 193 | 148 Ų | 148 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -94.8 | 146.7 | -174.3 | -59.8 | 178.4 | 135.6 | 0 | 0 | 112.9 | ||||
| 557 | S | 24.1 | Very low | 25 | Very low | 127 Ų | 127 | 153 Ų | 153 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -161.3 | 151.9 | 145.3 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 558 | Q | 25.4 | Very low | 25.2 | Very low | 196 Ų | 196 | 153.7 Ų | 153.7 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -93.9 | 146.3 | -170.1 | -66.2 | 172.4 | -7.9 | 0 | 0 | 112.9 | ||||
| 559 | G | 24.9 | Very low | 25.5 | Very low | 78 Ų | 78 | 154.8 Ų | 154.8 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -130.6 | 132.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 560 | S | 24.7 | Very low | 25.9 | Very low | 118 Ų | 118 | 151 Ų | 151 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -100 | 134.8 | -174.4 | 44.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 561 | N | 25.8 | Very low | 26.1 | Very low | 164 Ų | 164 | 156.5 Ų | 156.5 | 88% | 0.877 | 84% | 0.835 | S | S | * | * | trans | -89.4 | 137.3 | 176.5 | -78.5 | -36 | 0 | 0 | 0 | 111.8 | ||||
| 562 | L | 26.6 | Very low | 26.1 | Very low | 180 Ų | 180 | 156.7 Ų | 156.7 | 94% | 0.942 | 83% | 0.833 | S | S | * | * | trans | -115.8 | 116.9 | 165.1 | -76.1 | 170.3 | 0 | 0 | 0 | 108.7 | ||||
| 563 | N | 26.4 | Very low | 26.3 | Very low | 158 Ų | 158 | 153.1 Ų | 153.1 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | -114.6 | 132 | 178.1 | -160.7 | 4.9 | 0 | 0 | 0 | 109.7 | ||||
| 564 | G | 25.7 | Very low | 26.5 | Very low | 75 Ų | 75 | 152.8 Ų | 152.8 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -142.2 | 82.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 565 | M | 24.7 | Very low | 27.3 | Very low | 179 Ų | 179 | 154.3 Ų | 154.3 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -84.4 | 131.2 | -172.3 | -152.7 | 172.9 | -165.6 | 0 | 0 | 111.8 | ||||
| 566 | R | 24.6 | Very low | 27.6 | Very low | 227 Ų | 227 | 148.1 Ų | 148.1 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | -118.5 | 123.7 | 172.3 | -159.3 | 177.2 | -167.2 | -174.5 | 2.2 | 110 | ||||
| 567 | K | 26.9 | Very low | 28.7 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | trans | -81.2 | 153.5 | -179.3 | -64.9 | -176.8 | 176.5 | -175.5 | 0 | 111.9 | ||||
| 568 | I | 28.5 | Very low | 29.5 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -126.8 | 142.6 | 177.7 | -58 | 174.2 | 0 | 0 | 0 | 108.7 | ||||
| 569 | P | 30.4 | Very low | 30.7 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | trans | -85.4 | 165.5 | 170.4 | -4.4 | 24.4 | 0 | 0 | 0 | 113.4 | ||||
| 570 | P | 33.2 | Very low | 32.1 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -91.3 | 161.5 | -159.8 | 36.7 | -37.8 | 0 | 0 | 0 | 116.4 | ||||
| 571 | E | 29.3 | Very low | 33.3 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | 41.2 | 141.3 | 143.1 | -71.8 | 175 | -175.6 | 0 | 0 | 120.5 | ||||
| 572 | E | 29.5 | Very low | 34.6 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | cis | -165 | -177.2 | -12.5 | -144 | -164.7 | -140.2 | 0 | 0 | 108.4 | ||||
| 573 | H | 26.3 | Very low | 36.1 | Very low | 156 Ų | 156 | 130.8 Ų | 130.8 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | 101.4 | 132.2 | 159.7 | -51.8 | -31.5 | 0 | 0 | 0 | 121.9 | ||||
| 574 | S | 27.5 | Very low | 37.4 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | 68.8 | 117.7 | 153.6 | 72.3 | 0 | 0 | 0 | 0 | 119.8 | S576 | S574-S576 PolarHBondContact O-N 3.2Š| ||
| 575 | V | 40.1 | Very low | 38.8 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 93% | 0.933 | 71% | 0.709 | S | S | * | * | trans | -64.4 | 110.4 | 163.6 | 176.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 576 | S | 31.7 | Very low | 40.3 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | trans | -142.8 | 133 | 165.1 | 60.7 | 0 | 0 | 0 | 0 | 110.6 | S574 G578 | S574-S576 PolarHBondContact O-N 3.2Å; S576-G578 PolarHBondContact O-N 2.84Å | ||
| 577 | N | 47.3 | Very low | 41.9 | Very low | 176 Ų | 176 | 119.2 Ų | 119.2 | 94% | 0.941 | 67% | 0.672 | S | S | * | * | trans | -74.2 | 71.2 | 177.3 | -91.6 | -22.6 | 0 | 0 | 0 | 110.8 | R579 | N577-R579 PolarHBondContact O-N 3.49Š| ||
| 578 | G | 39.7 | Very low | 43.2 | Very low | 61 Ų | 61 | 118.8 Ų | 118.8 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | trans | -81.1 | 99.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | S576 | S576-G578 PolarHBondContact O-N 2.84Š| ||
| 579 | R | 50.1 | Low | 44.5 | Very low | 229 Ų | 229 | 116 Ų | 116 | 86% | 0.864 | 66% | 0.657 | S | S | * | * | trans | -68 | 132.3 | 162.4 | -63.5 | -176.7 | -176.8 | -175.3 | 1 | 108.8 | N577 | N577-R579 PolarHBondContact O-N 3.49Š| ||
| 580 | C | 56.3 | Low | 46 | Very low | 35 Ų | 35 | 112.4 Ų | 112.4 | 24% | 0.236 | 63% | 0.633 | C | S | . | * | trans | -79.4 | 156.3 | 174.1 | 93.2 | 0 | 0 | 0 | 0 | 111 | G582 C583 | C580-G582 PolarHBondContact O-N 3.32Å; C580-G582 PolarHBondContact SG-N 3.17Å; C580-C583 WeakPolarHBondContact O-CB 3.43Å; C580-C583 PolarHBondContact O-N 3.39Å; C580-C583 PolarHBondContact SG-SG 2.82Å | ||
| 581 | A | 48.3 | Very low | 47.3 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 88% | 0.884 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -14 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 582 | G | 53.6 | Low | 48.9 | Very low | 44 Ų | 44 | 108 Ų | 108 | 45% | 0.454 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -10 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | C580 V584 | C580-G582 PolarHBondContact O-N 3.32Å; C580-G582 PolarHBondContact SG-N 3.17Å; G582-V584 VanDerWaalsContact C-N 3.28Å; G582-V584 PolarHBondContact O-N 2.87Å; G582-V584 VanDerWaalsContact O-N 3.16Å |
| 583 | C | 59.2 | Low | 49.9 | Very low | 41 Ų | 41 | 111.8 Ų | 111.8 | 28% | 0.277 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.5 | 46.8 | -175.6 | -69.6 | 0 | 0 | 0 | 0 | 113.3 | C580 | C580-C583 WeakPolarHBondContact O-CB 3.43Å; C580-C583 PolarHBondContact O-N 3.39Å; C580-C583 PolarHBondContact SG-SG 2.82Å |
| 584 | V | 53.5 | Low | 51.5 | Low | 123 Ų | 123 | 105.8 Ų | 105.8 | 75% | 0.745 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -17.8 | 174.9 | -175 | 0 | 0 | 0 | 0 | 112 | G582 | G582-V584 VanDerWaalsContact C-N 3.28Å; G582-V584 PolarHBondContact O-N 2.87Å; G582-V584 VanDerWaalsContact O-N 3.16Å |
| 585 | L | 54.3 | Low | 53.2 | Low | 82 Ų | 82 | 103.8 Ų | 103.8 | 43% | 0.429 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -81.6 | 141.4 | 179.3 | -61.3 | 175.9 | 0 | 0 | 0 | 112.3 | E589 | L585-E589 VanDerWaalsContact CA-OE2 3.24Å; L585-E589 WeakPolarHBondContact CA-OE2 3.16Å; L585-E589 HydrophobicContact CB-CB 4.27Å; L585-E589 HydrophobicContact CD2-CB 4.2Å; L585-E589 WeakPolarHBondContact CD2-OE2 3.38Å |
| 586 | T | 57 | Low | 54.2 | Low | 72 Ų | 72 | 99.6 Ų | 99.6 | 44% | 0.442 | 56% | 0.564 | S | S | . | * | trans | -77.4 | 164.2 | 169.2 | 69 | 0 | 0 | 0 | 0 | 110.8 | E588 E589 | T586-E588 PolarHBondContact O-N 3.49Å; T586-E588 VanDerWaalsContact O-N 3.12Å; T586-E589 PolarHBondContact N-OE2 3.15Å; T586-E589 PolarHBondContact O-N 3.09Å; T586-E589 VanDerWaalsContact O-N 3.11Å | ||
| 587 | F | 57 | Low | 55.6 | Low | 119 Ų | 119 | 99 Ų | 99 | 52% | 0.522 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -59.5 | -27.3 | -178.3 | -142.8 | -69.6 | 0 | 0 | 0 | 112.3 | E589 M608 V611 | F587-E589 VanDerWaalsContact C-N 3.34Å; F587-M608 HydrophobicContact CB-CE 4.46Å; F587-M608 HydrophobicContact CD2-CE 3.62Å; F587-M608 HydrophobicContact CD2-SD 3.41Å; F587-M608 WeakPolarHBondContact CD2-SD 3.31Å; F587-M608 HydrophobicContact CE2-CE 4.24Å; F587-M608 HydrophobicContact CE2-SD 3.45Å; F587-M608 WeakPolarHBondContact CE2-SD 3.45Å; F587-M608 HydrophobicContact CG-CE 4.34Å; F587-M608 HydrophobicContact CG-SD 4.24Å; F587-M608 HydrophobicContact CZ-SD 4.31Å; F587-V611 HydrophobicContact CE2-CG1 4.16Å; F587-V611 HydrophobicContact CZ-CG1 3.9Å |
| 588 | E | 55.2 | Low | 56.3 | Low | 186 Ų | 186 | 91.7 Ų | 91.7 | 87% | 0.869 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -76.5 | -17.9 | -178.1 | -65.6 | 164.6 | 178.4 | 0 | 0 | 113 | T586 | T586-E588 PolarHBondContact O-N 3.49Å; T586-E588 VanDerWaalsContact O-N 3.12Å |
| 589 | E | 55.4 | Low | 57.5 | Low | 100 Ų | 100 | 92.3 Ų | 92.3 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -93.3 | -1.7 | -178.3 | -64.3 | 171.6 | 146.6 | 0 | 0 | 113.1 | L585 T586 F587 T591 | L585-E589 VanDerWaalsContact CA-OE2 3.24Å; L585-E589 WeakPolarHBondContact CA-OE2 3.16Å; L585-E589 HydrophobicContact CB-CB 4.27Å; L585-E589 HydrophobicContact CD2-CB 4.2Å; L585-E589 WeakPolarHBondContact CD2-OE2 3.38Å; T586-E589 PolarHBondContact N-OE2 3.15Å; T586-E589 PolarHBondContact O-N 3.09Å; T586-E589 VanDerWaalsContact O-N 3.11Å; F587-E589 VanDerWaalsContact C-N 3.34Å; E589-T591 PolarHBondContact O-N 2.79Å |
| 590 | V | 62.5 | Low | 58.1 | Low | 39 Ų | 39 | 86 Ų | 86 | 24% | 0.236 | 50% | 0.5 | C | S | . | . | trans | -80 | 108.8 | 178.4 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | F595 | V590-F595 HydrophobicContact CG1-CD2 4.25Š| ||
| 591 | T | 60.1 | Low | 58.2 | Low | 80 Ų | 80 | 87.7 Ų | 87.7 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | trans | -106.8 | 165.3 | 177.3 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | E589 R593 S594 F595 | E589-T591 PolarHBondContact O-N 2.79Å; T591-R593 PolarHBondContact O-N 3.34Å; T591-R593 PolarHBondContact OG1-N 2.79Å; T591-S594 PolarHBondContact N-OG 3.42Å; T591-S594 PolarHBondContact O-N 2.98Å; T591-S594 VanDerWaalsContact O-N 3.1Å; T591-S594 PolarHBondContact O-OG 3.42Å; T591-S594 PolarHBondContact OG1-N 3.02Å; T591-S594 PolarHBondContact OG1-OG 3.43Å; T591-F595 WeakPolarHBondContact O-CB 3.43Å; T591-F595 PolarHBondContact O-N 3.45Å | ||
| 592 | S | 61.8 | Low | 58.6 | Low | 119 Ų | 119 | 83.9 Ų | 83.9 | 83% | 0.832 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -19.8 | 175.2 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 593 | R | 51.7 | Low | 58.7 | Low | 229 Ų | 229 | 88.5 Ų | 88.5 | 86% | 0.864 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -36.2 | 176.6 | -62.8 | -173.7 | -179.9 | -142.5 | 1.2 | 113.2 | T591 | T591-R593 PolarHBondContact O-N 3.34Å; T591-R593 PolarHBondContact OG1-N 2.79Å |
| 594 | S | 58.9 | Low | 58.4 | Low | 29 Ų | 29 | 93 Ų | 93 | 20% | 0.203 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -24.3 | 176 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | T591 A596 S597 V598 | T591-S594 PolarHBondContact N-OG 3.42Å; T591-S594 PolarHBondContact O-N 2.98Å; T591-S594 VanDerWaalsContact O-N 3.1Å; T591-S594 PolarHBondContact O-OG 3.42Å; T591-S594 PolarHBondContact OG1-N 3.02Å; T591-S594 PolarHBondContact OG1-OG 3.43Å; S594-A596 PolarHBondContact O-N 3.16Å; S594-S597 WeakPolarHBondContact O-CB 3.47Å; S594-S597 PolarHBondContact O-N 3.49Å; S594-V598 WeakPolarHBondContact O-CG2 3.33Å; S594-V598 PolarHBondContact O-N 3.03Å |
| 595 | F | 63.5 | Low | 58.5 | Low | 62 Ų | 62 | 91.4 Ų | 91.4 | 27% | 0.272 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -46.9 | -52.1 | -176 | -172 | -90.7 | 0 | 0 | 0 | 115.1 | V590 T591 S597 V598 Q599 L612 T616 | V590-F595 HydrophobicContact CG1-CD2 4.25Å; T591-F595 WeakPolarHBondContact O-CB 3.43Å; T591-F595 PolarHBondContact O-N 3.45Å; F595-S597 VanDerWaalsContact C-N 3.33Å; F595-S597 PolarHBondContact O-N 3.46Å; F595-V598 PolarHBondContact O-N 2.86Å; F595-Q599 WeakPolarHBondContact O-CB 3.39Å; F595-Q599 PolarHBondContact O-N 3.44Å; F595-L612 HydrophobicContact CD2-CD2 4.49Å; F595-L612 HydrophobicContact CE2-CB 4.48Å; F595-L612 HydrophobicContact CE2-CD2 3.99Å; F595-T616 WeakPolarHBondContact CZ-OG1 3.3Å |
| 596 | A | 61 | Low | 59.1 | Low | 66 Ų | 66 | 89 Ų | 89 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.6 | -31.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S594 S600 | S594-A596 PolarHBondContact O-N 3.16Å; A596-S600 WeakPolarHBondContact O-CB 3.43Å; A596-S600 PolarHBondContact O-N 3.34Å; A596-S600 PolarHBondContact O-OG 3.31Å |
| 597 | S | 60.3 | Low | 59.2 | Low | 80 Ų | 80 | 90.4 Ų | 90.4 | 56% | 0.559 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.5 | -39.8 | 174.9 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | S594 F595 S600 S601 | S594-S597 WeakPolarHBondContact O-CB 3.47Å; S594-S597 PolarHBondContact O-N 3.49Å; F595-S597 VanDerWaalsContact C-N 3.33Å; F595-S597 PolarHBondContact O-N 3.46Å; S597-S600 PolarHBondContact O-OG 2.96Å; S597-S601 VanDerWaalsContact O-CB 3.31Å; S597-S601 WeakPolarHBondContact O-CB 3.45Å; S597-S601 PolarHBondContact O-N 3.44Å; S597-S601 PolarHBondContact O-OG 3.34Å |
| 598 | V | 63.8 | Low | 59.4 | Low | 22 Ų | 22 | 87.5 Ų | 87.5 | 13% | 0.133 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.4 | -52.1 | 172.7 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | S594 F595 S600 S601 H609 L612 | S594-V598 WeakPolarHBondContact O-CG2 3.33Å; S594-V598 PolarHBondContact O-N 3.03Å; F595-V598 PolarHBondContact O-N 2.86Å; V598-S600 PolarHBondContact O-N 3.46Å; V598-S600 VanDerWaalsContact O-N 3.13Å; V598-S601 PolarHBondContact O-N 2.88Å; V598-S601 PolarHBondContact O-OG 3.16Å; V598-H609 PolarHBondContact O-CD2 3.45Å; V598-H609 PolarHBondContact O-NE2 2.96Å; V598-L612 HydrophobicContact CG1-CD1 3.82Å |
| 599 | Q | 64.6 | Low | 60 | Low | 75 Ų | 75 | 79.5 Ų | 79.5 | 35% | 0.35 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.2 | -27.7 | -176.3 | -171.7 | 168.9 | 44.3 | 0 | 0 | 114.3 | F595 T616 | F595-Q599 WeakPolarHBondContact O-CB 3.39Å; F595-Q599 PolarHBondContact O-N 3.44Å; Q599-T616 PolarHBondContact NE2-OG1 2.92Å |
| 600 | S | 63 | Low | 60.5 | Low | 97 Ų | 97 | 81.6 Ų | 81.6 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -95.7 | -8 | -176.2 | 53.4 | 0 | 0 | 0 | 0 | 115.5 | A596 S597 V598 | A596-S600 WeakPolarHBondContact O-CB 3.43Å; A596-S600 PolarHBondContact O-N 3.34Å; A596-S600 PolarHBondContact O-OG 3.31Å; S597-S600 PolarHBondContact O-OG 2.96Å; V598-S600 PolarHBondContact O-N 3.46Å; V598-S600 VanDerWaalsContact O-N 3.13Å |
| 601 | S | 58.1 | Low | 60.6 | Low | 69 Ų | 69 | 82.9 Ų | 82.9 | 48% | 0.483 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -98.9 | 3.7 | -169.1 | 49 | 0 | 0 | 0 | 0 | 115.9 | S597 V598 | S597-S601 VanDerWaalsContact O-CB 3.31Å; S597-S601 WeakPolarHBondContact O-CB 3.45Å; S597-S601 PolarHBondContact O-N 3.44Å; S597-S601 PolarHBondContact O-OG 3.34Å; V598-S601 PolarHBondContact O-N 2.88Å; V598-S601 PolarHBondContact O-OG 3.16Å |
| 602 | C | 56.3 | Low | 60.7 | Low | 27 Ų | 27 | 79.6 Ų | 79.6 | 18% | 0.182 | 45% | 0.45 | C | S | . | . | trans | -125.2 | 120.7 | -178.2 | -168.9 | 0 | 0 | 0 | 0 | 112.2 | H609 | C602-H609 VanDerWaalsContact CB-CE1 3.41Å; C602-H609 WeakPolarHBondContact CB-CE1 3.3Å; C602-H609 VanDerWaalsContact CB-NE2 3.33Å; C602-H609 WeakPolarHBondContact CB-NE2 3.39Å | ||
| 603 | V | 56.1 | Low | 60.9 | Low | 141 Ų | 141 | 78.4 Ų | 78.4 | 86% | 0.855 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -85.8 | -22.5 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 604 | N | 52.8 | Low | 61.7 | Low | 135 Ų | 135 | 71.5 Ų | 71.5 | 72% | 0.722 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -106.7 | 22.1 | -168 | -64 | 4.5 | 0 | 0 | 0 | 114.3 | C606 | N604-C606 PolarHBondContact O-N 2.95Å; N604-C606 VanDerWaalsContact O-N 3.11Å |
| 605 | S | 55.9 | Low | 61.9 | Low | 90 Ų | 90 | 72.7 Ų | 72.7 | 63% | 0.629 | 42% | 0.42 | S | S | * | . | trans | 41.3 | 54.2 | 166.8 | 57.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 606 | C | 66.5 | Low | 61.9 | Low | 32 Ų | 32 | 70.6 Ų | 70.6 | 22% | 0.216 | 41% | 0.412 | C | S | . | . | trans | -66.2 | 164.3 | 175.8 | 75.1 | 0 | 0 | 0 | 0 | 111.9 | N604 M608 H609 R610 | N604-C606 PolarHBondContact O-N 2.95Å; N604-C606 VanDerWaalsContact O-N 3.11Å; C606-M608 VanDerWaalsContact C-N 3.25Å; C606-M608 PolarHBondContact O-N 3.25Å; C606-M608 VanDerWaalsContact O-N 3.13Å; C606-H609 PolarHBondContact O-N 3.01Å; C606-H609 PolarHBondContact SG-ND1 3.22Å; C606-R610 PolarHBondContact O-N 2.87Å | ||
| 607 | D | 59.2 | Low | 62.1 | Low | 102 Ų | 102 | 71.9 Ų | 71.9 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.8 | -36.5 | -172.3 | -63.9 | -64.7 | 0 | 0 | 0 | 113.8 | R610 V611 | D607-R610 PolarHBondContact O-N 3.37Å; D607-R610 IonicContact OD1-CZ 2.7Å; D607-R610 IonicContact OD1-NH1 3.93Å; D607-R610 PolarHBondContact OD1-NH1 2.93Å; D607-R610 IonicContact OD1-NH2 3.76Å; D607-R610 PolarHBondContact OD1-NH2 2.99Å; D607-V611 WeakPolarHBondContact O-CG2 3.47Å; D607-V611 PolarHBondContact O-N 3.33Å |
| 608 | M | 59.8 | Low | 62.2 | Low | 58 Ų | 58 | 75.9 Ų | 75.9 | 29% | 0.286 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 175.1 | -176.2 | 67.7 | 76.8 | 0 | 0 | 111.7 | F587 C606 V611 L612 | F587-M608 HydrophobicContact CB-CE 4.46Å; F587-M608 HydrophobicContact CD2-CE 3.62Å; F587-M608 HydrophobicContact CD2-SD 3.41Å; F587-M608 WeakPolarHBondContact CD2-SD 3.31Å; F587-M608 HydrophobicContact CE2-CE 4.24Å; F587-M608 HydrophobicContact CE2-SD 3.45Å; F587-M608 WeakPolarHBondContact CE2-SD 3.45Å; F587-M608 HydrophobicContact CG-CE 4.34Å; F587-M608 HydrophobicContact CG-SD 4.24Å; F587-M608 HydrophobicContact CZ-SD 4.31Å; C606-M608 VanDerWaalsContact C-N 3.25Å; C606-M608 PolarHBondContact O-N 3.25Å; C606-M608 VanDerWaalsContact O-N 3.13Å; M608-V611 PolarHBondContact O-N 2.88Å; M608-L612 HydrophobicContact CG-CD1 4.17Å; M608-L612 WeakPolarHBondContact O-CG 3.42Å; M608-L612 PolarHBondContact O-N 2.98Å |
| 609 | H | 68 | Low | 61.9 | Low | 18 Ų | 18 | 81.5 Ų | 81.5 | 8% | 0.083 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.8 | -37 | 177.2 | -74.9 | 79.7 | 0 | 0 | 0 | 112.2 | V598 C602 C606 L612 Q613 | V598-H609 PolarHBondContact O-CD2 3.45Å; V598-H609 PolarHBondContact O-NE2 2.96Å; C602-H609 VanDerWaalsContact CB-CE1 3.41Å; C602-H609 WeakPolarHBondContact CB-CE1 3.3Å; C602-H609 VanDerWaalsContact CB-NE2 3.33Å; C602-H609 WeakPolarHBondContact CB-NE2 3.39Å; C606-H609 PolarHBondContact O-N 3.01Å; C606-H609 PolarHBondContact SG-ND1 3.22Å; H609-L612 PolarHBondContact O-N 3.48Å; H609-Q613 WeakPolarHBondContact O-CB 3.49Å; H609-Q613 PolarHBondContact O-N 3.06Å |
| 610 | R | 65.6 | Low | 61.8 | Low | 144 Ų | 144 | 85.6 Ų | 85.6 | 54% | 0.543 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 174.8 | -169.6 | 175.7 | 69.9 | -129.5 | -10.8 | 111.1 | C606 D607 Q613 E614 | C606-R610 PolarHBondContact O-N 2.87Å; D607-R610 PolarHBondContact O-N 3.37Å; D607-R610 IonicContact OD1-CZ 2.7Å; D607-R610 IonicContact OD1-NH1 3.93Å; D607-R610 PolarHBondContact OD1-NH1 2.93Å; D607-R610 IonicContact OD1-NH2 3.76Å; D607-R610 PolarHBondContact OD1-NH2 2.99Å; R610-Q613 PolarHBondContact O-N 3.32Å; R610-E614 WeakPolarHBondContact O-CB 3.43Å; R610-E614 PolarHBondContact O-N 3.46Å |
| 611 | V | 66.1 | Low | 61.6 | Low | 65 Ų | 65 | 87.2 Ų | 87.2 | 39% | 0.394 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 178.3 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | F587 D607 M608 E614 A615 | F587-V611 HydrophobicContact CE2-CG1 4.16Å; F587-V611 HydrophobicContact CZ-CG1 3.9Å; D607-V611 WeakPolarHBondContact O-CG2 3.47Å; D607-V611 PolarHBondContact O-N 3.33Å; M608-V611 PolarHBondContact O-N 2.88Å; V611-E614 PolarHBondContact O-N 3.28Å; V611-A615 WeakPolarHBondContact O-CB 3.41Å; V611-A615 PolarHBondContact O-N 3.44Å |
| 612 | L | 62.6 | Low | 61.3 | Low | 12 Ų | 12 | 89.9 Ų | 89.9 | 6% | 0.063 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67 | -36.5 | 177.5 | -68.2 | 171.5 | 0 | 0 | 0 | 112.6 | F595 V598 M608 H609 T616 | F595-L612 HydrophobicContact CD2-CD2 4.49Å; F595-L612 HydrophobicContact CE2-CB 4.48Å; F595-L612 HydrophobicContact CE2-CD2 3.99Å; V598-L612 HydrophobicContact CG1-CD1 3.82Å; M608-L612 HydrophobicContact CG-CD1 4.17Å; M608-L612 WeakPolarHBondContact O-CG 3.42Å; M608-L612 PolarHBondContact O-N 2.98Å; H609-L612 PolarHBondContact O-N 3.48Å; L612-T616 PolarHBondContact O-N 2.85Å; L612-T616 VanDerWaalsContact O-N 3.09Å; L612-T616 PolarHBondContact O-OG1 2.91Å |
| 613 | Q | 65.9 | Low | 61 | Low | 93 Ų | 93 | 97.5 Ų | 97.5 | 44% | 0.435 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.3 | -47.2 | 173.6 | -177.3 | 177.8 | -18 | 0 | 0 | 111.2 | H609 R610 A615 T616 E617 | H609-Q613 WeakPolarHBondContact O-CB 3.49Å; H609-Q613 PolarHBondContact O-N 3.06Å; R610-Q613 PolarHBondContact O-N 3.32Å; Q613-A615 VanDerWaalsContact C-N 3.34Å; Q613-A615 PolarHBondContact O-N 3.33Å; Q613-T616 WeakPolarHBondContact O-CA 3.41Å; Q613-T616 VanDerWaalsContact O-CB 3.23Å; Q613-T616 WeakPolarHBondContact O-CB 3.44Å; Q613-T616 PolarHBondContact O-N 3.22Å; Q613-E617 WeakPolarHBondContact CG-OE1 3.49Å; Q613-E617 PolarHBondContact NE2-OE1 3.45Å; Q613-E617 PolarHBondContact O-N 2.9Å |
| 614 | E | 68.2 | Low | 60.6 | Low | 85 Ų | 85 | 98.3 Ų | 98.3 | 40% | 0.397 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | -179.9 | -165.4 | -179.7 | 164.4 | 0 | 0 | 111.9 | R610 V611 T616 E617 R618 | R610-E614 WeakPolarHBondContact O-CB 3.43Å; R610-E614 PolarHBondContact O-N 3.46Å; V611-E614 PolarHBondContact O-N 3.28Å; E614-T616 VanDerWaalsContact C-N 3.3Å; E614-T616 PolarHBondContact O-N 2.73Å; E614-E617 PolarHBondContact O-N 2.69Å; E614-R618 VanDerWaalsContact O-CG 3.3Å; E614-R618 WeakPolarHBondContact O-CG 3.44Å; E614-R618 PolarHBondContact O-N 2.98Å; E614-R618 IonicContact OE1-CZ 2.77Å; E614-R618 IonicContact OE1-NE 2.8Å; E614-R618 PolarHBondContact OE1-NE 3.04Å; E614-R618 IonicContact OE1-NH2 2.61Å; E614-R618 PolarHBondContact OE1-NH2 3.07Å |
| 615 | A | 62.8 | Low | 60.5 | Low | 54 Ų | 54 | 96.8 Ų | 96.8 | 45% | 0.446 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.7 | -38.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V611 Q613 F619 | V611-A615 WeakPolarHBondContact O-CB 3.41Å; V611-A615 PolarHBondContact O-N 3.44Å; Q613-A615 VanDerWaalsContact C-N 3.34Å; Q613-A615 PolarHBondContact O-N 3.33Å; A615-F619 PolarHBondContact O-N 3.28Å; A615-F619 VanDerWaalsContact O-N 3.09Å |
| 616 | T | 63.1 | Low | 60 | Low | 18 Ų | 18 | 99.5 Ų | 99.5 | 11% | 0.11 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.5 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | F595 Q599 L612 Q613 E614 F619 R620 | F595-T616 WeakPolarHBondContact CZ-OG1 3.3Å; Q599-T616 PolarHBondContact NE2-OG1 2.92Å; L612-T616 PolarHBondContact O-N 2.85Å; L612-T616 VanDerWaalsContact O-N 3.09Å; L612-T616 PolarHBondContact O-OG1 2.91Å; Q613-T616 WeakPolarHBondContact O-CA 3.41Å; Q613-T616 VanDerWaalsContact O-CB 3.23Å; Q613-T616 WeakPolarHBondContact O-CB 3.44Å; Q613-T616 PolarHBondContact O-N 3.22Å; E614-T616 VanDerWaalsContact C-N 3.3Å; E614-T616 PolarHBondContact O-N 2.73Å; T616-F619 PolarHBondContact O-N 3.06Å; T616-R620 WeakPolarHBondContact O-CG 3.43Å; T616-R620 PolarHBondContact O-N 3.31Å |
| 617 | E | 65.2 | Low | 58.8 | Low | 92 Ų | 92 | 99.8 Ų | 99.8 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.5 | -43.6 | -178.2 | -72.1 | 174.2 | -167.8 | 0 | 0 | 111.1 | Q613 E614 F619 R620 M621 | Q613-E617 WeakPolarHBondContact CG-OE1 3.49Å; Q613-E617 PolarHBondContact NE2-OE1 3.45Å; Q613-E617 PolarHBondContact O-N 2.9Å; E614-E617 PolarHBondContact O-N 2.69Å; E617-F619 VanDerWaalsContact C-N 3.34Å; E617-F619 PolarHBondContact O-N 3.33Å; E617-R620 PolarHBondContact O-N 3.06Å; E617-R620 VanDerWaalsContact O-N 3.16Å; E617-M621 WeakPolarHBondContact O-CG 3.47Å; E617-M621 PolarHBondContact O-N 3.4Å |
| 618 | R | 63.7 | Low | 58.2 | Low | 165 Ų | 165 | 97.6 Ų | 97.6 | 62% | 0.623 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -56.9 | -43.2 | 172.4 | -69.7 | 174.5 | -175.9 | -155.9 | 3.9 | 112.2 | E614 M621 H622 | E614-R618 VanDerWaalsContact O-CG 3.3Å; E614-R618 WeakPolarHBondContact O-CG 3.44Å; E614-R618 PolarHBondContact O-N 2.98Å; E614-R618 IonicContact OE1-CZ 2.77Å; E614-R618 IonicContact OE1-NE 2.8Å; E614-R618 PolarHBondContact OE1-NE 3.04Å; E614-R618 IonicContact OE1-NH2 2.61Å; E614-R618 PolarHBondContact OE1-NH2 3.07Å; R618-M621 PolarHBondContact O-N 2.89Å; R618-H622 WeakPolarHBondContact O-CB 3.38Å; R618-H622 PolarHBondContact O-N 3.14Å |
| 619 | F | 55.9 | Low | 57.4 | Low | 139 Ų | 139 | 103.8 Ų | 103.8 | 61% | 0.61 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.9 | -41.4 | 175.9 | -178.3 | -100.2 | 0 | 0 | 0 | 112.8 | A615 T616 E617 H622 R623 | A615-F619 PolarHBondContact O-N 3.28Å; A615-F619 VanDerWaalsContact O-N 3.09Å; T616-F619 PolarHBondContact O-N 3.06Å; E617-F619 VanDerWaalsContact C-N 3.34Å; E617-F619 PolarHBondContact O-N 3.33Å; F619-H622 PolarHBondContact O-N 3.05Å; F619-R623 PolarHBondContact O-N 3.08Å |
| 620 | R | 63 | Low | 56 | Low | 162 Ų | 162 | 113 Ų | 113 | 61% | 0.611 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 176.4 | -74.2 | 175 | -179.9 | 170.2 | 2.9 | 111.8 | T616 E617 R623 F624 | T616-R620 WeakPolarHBondContact O-CG 3.43Å; T616-R620 PolarHBondContact O-N 3.31Å; E617-R620 PolarHBondContact O-N 3.06Å; E617-R620 VanDerWaalsContact O-N 3.16Å; R620-R623 PolarHBondContact O-N 3.42Å; R620-F624 PolarHBondContact O-N 3.42Å |
| 621 | M | 58.8 | Low | 54.8 | Low | 131 Ų | 131 | 112.6 Ų | 112.6 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 175.3 | -70.8 | -172.5 | 72.9 | 0 | 0 | 112.1 | E617 R618 R623 F624 N625 | E617-M621 WeakPolarHBondContact O-CG 3.47Å; E617-M621 PolarHBondContact O-N 3.4Å; R618-M621 PolarHBondContact O-N 2.89Å; M621-R623 VanDerWaalsContact C-N 3.31Å; M621-R623 PolarHBondContact O-N 3.33Å; M621-F624 PolarHBondContact O-N 3.42Å; M621-N625 PolarHBondContact O-N 2.67Å |
| 622 | H | 51.9 | Low | 53.7 | Low | 125 Ų | 125 | 115.5 Ų | 115.5 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.6 | -37.5 | 178.9 | -164.4 | -80.5 | 0 | 0 | 0 | 112.4 | R618 F619 F626 | R618-H622 WeakPolarHBondContact O-CB 3.38Å; R618-H622 PolarHBondContact O-N 3.14Å; F619-H622 PolarHBondContact O-N 3.05Å; H622-F626 PolarHBondContact O-N 2.73Å |
| 623 | R | 50.3 | Low | 52.6 | Low | 187 Ų | 187 | 122.8 Ų | 122.8 | 71% | 0.706 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.6 | -35 | 175.2 | -168.8 | 175.3 | 176.1 | 120.6 | -1.6 | 112.6 | F619 R620 M621 F626 G627 | F619-R623 PolarHBondContact O-N 3.08Å; R620-R623 PolarHBondContact O-N 3.42Å; M621-R623 VanDerWaalsContact C-N 3.31Å; M621-R623 PolarHBondContact O-N 3.33Å; R623-F626 PolarHBondContact O-N 3.04Å; R623-G627 PolarHBondContact O-N 2.78Å |
| 624 | F | 47.9 | Very low | 51.4 | Low | 157 Ų | 157 | 121.8 Ų | 121.8 | 69% | 0.689 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.8 | -46.7 | 176.3 | -159.5 | -92.5 | 0 | 0 | 0 | 111.5 | R620 M621 F626 G627 V628 | R620-F624 PolarHBondContact O-N 3.42Å; M621-F624 PolarHBondContact O-N 3.42Å; F624-F626 PolarHBondContact O-N 3.08Å; F624-G627 PolarHBondContact O-N 2.98Å; F624-V628 HydrophobicContact CD1-CG2 4.5Å; F624-V628 HydrophobicContact CE1-CG2 4.43Å; F624-V628 PolarHBondContact O-N 3.33Å |
| 625 | N | 49.1 | Very low | 50.2 | Low | 103 Ų | 103 | 121.7 Ų | 121.7 | 55% | 0.551 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.3 | -28.4 | 176.4 | -73.4 | -12.4 | 0 | 0 | 0 | 113.5 | M621 | M621-N625 PolarHBondContact O-N 2.67Å |
| 626 | F | 45.4 | Very low | 49 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 65% | 0.645 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -75.4 | -27.1 | 175.1 | -120.3 | -86.7 | 0 | 0 | 0 | 113.7 | H622 R623 F624 | H622-F626 PolarHBondContact O-N 2.73Å; R623-F626 PolarHBondContact O-N 3.04Å; F624-F626 PolarHBondContact O-N 3.08Å |
| 627 | G | 42.6 | Very low | 47.7 | Very low | 39 Ų | 39 | 131.3 Ų | 131.3 | 40% | 0.402 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.7 | -50.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R623 F624 R629 R630 E631 | R623-G627 PolarHBondContact O-N 2.78Å; F624-G627 PolarHBondContact O-N 2.98Å; G627-R629 VanDerWaalsContact C-N 3.29Å; G627-R629 PolarHBondContact O-N 3.44Å; G627-R630 WeakPolarHBondContact O-CB 3.39Å; G627-R630 PolarHBondContact O-N 3.4Å; G627-E631 PolarHBondContact O-N 3.2Å |
| 628 | V | 47 | Very low | 46.3 | Very low | 56 Ų | 56 | 134.1 Ų | 134.1 | 34% | 0.339 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -58.7 | -38.3 | -178.2 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | F624 R630 E631 Q632 | F624-V628 HydrophobicContact CD1-CG2 4.5Å; F624-V628 HydrophobicContact CE1-CG2 4.43Å; F624-V628 PolarHBondContact O-N 3.33Å; V628-R630 PolarHBondContact O-N 3.3Å; V628-E631 PolarHBondContact O-N 3.1Å; V628-Q632 WeakPolarHBondContact O-CG 3.35Å; V628-Q632 PolarHBondContact O-N 2.93Å |
| 629 | R | 42.3 | Very low | 45.2 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.9 | -15.9 | 175.6 | -79.5 | -168.9 | 176.2 | -150.9 | -1.2 | 114.5 | G627 | G627-R629 VanDerWaalsContact C-N 3.29Å; G627-R629 PolarHBondContact O-N 3.44Å |
| 630 | R | 38.3 | Very low | 44.2 | Very low | 211 Ų | 211 | 130.5 Ų | 130.5 | 80% | 0.796 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -88 | -39.2 | 178 | -138.9 | 177.9 | -169.9 | -172.2 | 2.4 | 111.7 | G627 V628 K633 S634 | G627-R630 WeakPolarHBondContact O-CB 3.39Å; G627-R630 PolarHBondContact O-N 3.4Å; V628-R630 PolarHBondContact O-N 3.3Å; R630-K633 PolarHBondContact O-N 3.22Å; R630-S634 PolarHBondContact O-N 2.95Å |
| 631 | E | 40.6 | Very low | 42.9 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.7 | -36.2 | 176.6 | -68.4 | 175.6 | 152.5 | 0 | 0 | 112.3 | G627 V628 K633 S634 V635 | G627-E631 PolarHBondContact O-N 3.2Å; V628-E631 PolarHBondContact O-N 3.1Å; E631-K633 PolarHBondContact O-N 2.98Å; E631-S634 PolarHBondContact O-N 3.47Å; E631-S634 PolarHBondContact O-OG 3.07Å; E631-V635 PolarHBondContact O-N 2.99Å |
| 632 | Q | 43.4 | Very low | 41.8 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 59% | 0.589 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.2 | -25.3 | 174.6 | -72.6 | 177.3 | -18 | 0 | 0 | 113.5 | V628 T636 | V628-Q632 WeakPolarHBondContact O-CG 3.35Å; V628-Q632 PolarHBondContact O-N 2.93Å; Q632-T636 PolarHBondContact O-OG1 3.49Å |
| 633 | K | 39.9 | Very low | 40.9 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 72% | 0.717 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -83.9 | -18.3 | 177.1 | -80.3 | -170.7 | 172.8 | -170.2 | 0 | 114.4 | R630 E631 | R630-K633 PolarHBondContact O-N 3.22Å; E631-K633 PolarHBondContact O-N 2.98Å |
| 634 | S | 39.1 | Very low | 39.9 | Very low | 72 Ų | 72 | 127 Ų | 127 | 50% | 0.503 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -78.7 | -42.8 | 170.6 | 34.8 | 0 | 0 | 0 | 0 | 111.6 | R630 E631 T636 K637 | R630-S634 PolarHBondContact O-N 2.95Å; E631-S634 PolarHBondContact O-N 3.47Å; E631-S634 PolarHBondContact O-OG 3.07Å; S634-T636 VanDerWaalsContact C-N 3.33Å; S634-T636 PolarHBondContact O-N 2.99Å; S634-K637 PolarHBondContact O-N 3.46Å; S634-K637 VanDerWaalsContact O-N 3.11Å |
| 635 | V | 43 | Very low | 39 | Very low | 83 Ų | 83 | 124.3 Ų | 124.3 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -65.3 | -33.9 | -177.6 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | E631 K637 E638 | E631-V635 PolarHBondContact O-N 2.99Å; V635-K637 PolarHBondContact O-N 3.49Å; V635-E638 PolarHBondContact O-N 3.34Å |
| 636 | T | 38.8 | Very low | 38 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -12.3 | 176.6 | 20.8 | 0 | 0 | 0 | 0 | 114.2 | Q632 S634 | Q632-T636 PolarHBondContact O-OG1 3.49Å; S634-T636 VanDerWaalsContact C-N 3.33Å; S634-T636 PolarHBondContact O-N 2.99Å |
| 637 | K | 35 | Very low | 37.2 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 74% | 0.735 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -9.7 | -178.8 | -141.2 | -177.1 | -178.3 | -169.3 | 0 | 114.3 | S634 V635 | S634-K637 PolarHBondContact O-N 3.46Å; S634-K637 VanDerWaalsContact O-N 3.11Å; V635-K637 PolarHBondContact O-N 3.49Å |
| 638 | E | 36.3 | Very low | 36.5 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -95.8 | 0.2 | 173.5 | -72.8 | -173.3 | 141.9 | 0 | 0 | 113.2 | V635 | V635-E638 PolarHBondContact O-N 3.34Š|
| 639 | H | 40.7 | Very low | 35.6 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -111.2 | 0.9 | -177.9 | -73.2 | -1.9 | 0 | 0 | 0 | 114.5 | ||
| 640 | S | 34.8 | Very low | 34.9 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 56% | 0.559 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -81 | -26.8 | 171.6 | 49.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 641 | D | 35.6 | Very low | 34.5 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -103.3 | 13.8 | -159.1 | -66.6 | 15.5 | 0 | 0 | 0 | 113.7 | ||
| 642 | T | 36.4 | Very low | 33.7 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | trans | -129 | 29 | -173 | -25.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 643 | N | 31.8 | Very low | 32.8 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | trans | -124.1 | 66.6 | 170.7 | -84.7 | -44.4 | 0 | 0 | 0 | 112.2 | ||||
| 644 | S | 30.1 | Very low | 32.1 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -146.1 | 146.5 | 158.9 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 645 | A | 28 | Very low | 31.4 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | 59.6 | 99.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 646 | R | 29.2 | Very low | 30.5 | Very low | 248 Ų | 248 | 142.1 Ų | 142.1 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | trans | -116.2 | 122.3 | 153 | -172.5 | -171.1 | -157.8 | -171.1 | 8.6 | 107.4 | ||||
| 647 | V | 28.1 | Very low | 29.8 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -174.2 | 125.1 | 151.2 | 134.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 648 | S | 28.8 | Very low | 29.3 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | 70.6 | 133.1 | 145.7 | -65.3 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 649 | T | 27 | Very low | 28.8 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | 95.2 | 150.7 | 135 | 42.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 650 | T | 27.7 | Very low | 27.9 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | -98.8 | 151.3 | -156 | 33 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 651 | K | 29 | Very low | 27.4 | Very low | 196 Ų | 196 | 143.3 Ų | 143.3 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | 53.5 | 114.6 | 150.8 | -70.5 | -177.8 | 176.7 | 178.9 | 0 | 118 | ||||
| 652 | L | 24.5 | Very low | 26.8 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | trans | -144.1 | 172.1 | 130.8 | -128.2 | 121.9 | 0 | 0 | 0 | 111.7 | ||||
| 653 | H | 25.3 | Very low | 26.4 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -125 | 163.5 | -157.2 | -170.5 | -118.8 | 0 | 0 | 0 | 110.9 | ||||
| 654 | R | 25.4 | Very low | 26 | Very low | 216 Ų | 216 | 140.8 Ų | 140.8 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | trans | 85.2 | 119.6 | 161.3 | -107.4 | -178.3 | -161 | 161.8 | 3.7 | 121.4 | ||||
| 655 | S | 24.3 | Very low | 25.9 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | 100.6 | 120.8 | 118.7 | -106.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 656 | C | 23.8 | Very low | 25.7 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 63% | 0.628 | 79% | 0.791 | S | S | * | * | trans | 63.4 | 112 | 133.7 | -69.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 657 | E | 24.5 | Very low | 25.5 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | 58.1 | 112.4 | 113.9 | -62.6 | 166.5 | 146 | 0 | 0 | 120.7 | |||||
| 658 | N | 24.6 | Very low | 25.2 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | -173 | 129.8 | 103.8 | -89.2 | -38.6 | 0 | 0 | 0 | 108.7 | |||||
| 659 | M | 24.1 | Very low | 25 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | 63.4 | 117.7 | 69.5 | -80.9 | -77.8 | -84.3 | 0 | 0 | 114.2 | |||||
| 660 | G | 23.3 | Very low | 24.9 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 155.2 | 82.3 | 161 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 661 | A | 23.8 | Very low | 24.7 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | 59 | 151.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 662 | G | 23.1 | Very low | 24.5 | Very low | 62 Ų | 62 | 136.5 Ų | 136.5 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | cis | 143.5 | 158.6 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 663 | I | 27.4 | Very low | 24.4 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | 74.4 | 135.1 | 167.4 | -54.5 | 173.9 | 0 | 0 | 0 | 115.1 | ||||
| 664 | D | 25.1 | Very low | 24.4 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | cis | -160.8 | 173.4 | -26.6 | -121 | -47 | 0 | 0 | 0 | 113.4 | ||||
| 665 | T | 26.8 | Very low | 24.4 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | -34.5 | 147.8 | 173.9 | 57.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 666 | S | 24.3 | Very low | 24.6 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -177.8 | 116.9 | 130.9 | 30.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 667 | S | 24 | Very low | 24.7 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | 68.8 | 139.2 | 85.6 | 88.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 668 | L | 22.8 | Very low | 24.7 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | cis | -169.5 | -179.7 | -11 | -146.2 | 128.6 | 0 | 0 | 0 | 107.8 | ||||
| 669 | Q | 24.6 | Very low | 24.7 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 71.4 | 121.6 | 170.8 | -57.9 | 178.6 | -13.6 | 0 | 0 | 116.1 | ||||
| 670 | Q | 24.1 | Very low | 24.7 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | cis | 78.4 | 97.2 | 18.2 | -156.4 | -176 | 60.8 | 0 | 0 | 116.2 | ||||
| 671 | H | 25.1 | Very low | 24.7 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | trans | -161.3 | 166.5 | 152.4 | -93.7 | -53.8 | 0 | 0 | 0 | 110.9 | ||||
| 672 | S | 23.9 | Very low | 24.8 | Very low | 75 Ų | 75 | 141.1 Ų | 141.1 | 52% | 0.524 | 76% | 0.759 | S | S | . | * | -168.8 | 147.3 | -99.1 | 57.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 673 | W | 22.8 | Very low | 24.9 | Very low | 201 Ų | 201 | 144 Ų | 144 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | 68.6 | 123.9 | 163.6 | -54.8 | 100.2 | 0 | 0 | 0 | 120.8 | K675 | W673-K675 HydrophobicContact CZ3-CD 4.01Å; W673-K675 HydrophobicContact CZ3-CG 4.44Å | ||
| 674 | R | 24.6 | Very low | 24.7 | Very low | 253 Ų | 253 | 148 Ų | 148 | 96% | 0.955 | 77% | 0.772 | S | S | * | * | -148.9 | 153.1 | 103.7 | -98.1 | -176.1 | -167.5 | -131.1 | 2 | 110.5 | |||||
| 675 | K | 25.9 | Very low | 24.6 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | trans | -131.3 | 178.8 | -173.7 | -107.1 | -166.2 | -172.7 | 177.8 | 0 | 110.3 | W673 | W673-K675 HydrophobicContact CZ3-CD 4.01Å; W673-K675 HydrophobicContact CZ3-CG 4.44Å | ||
| 676 | H | 27.3 | Very low | 24.6 | Very low | 164 Ų | 164 | 154.9 Ų | 154.9 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 98 | 129.7 | 163.7 | -63.1 | -75.4 | 0 | 0 | 0 | 115.5 | ||||
| 677 | N | 26.4 | Very low | 24.6 | Very low | 143 Ų | 143 | 156.9 Ų | 156.9 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | cis | -135 | 158 | -1.6 | -76.6 | -44 | 0 | 0 | 0 | 108.6 | ||||
| 678 | G | 23.8 | Very low | 24.9 | Very low | 69 Ų | 69 | 157.9 Ų | 157.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | 97.6 | 115.6 | 44.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 679 | V | 25 | Very low | 25 | Very low | 140 Ų | 140 | 162.6 Ų | 162.6 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | -146.1 | 151.5 | 70.3 | 170.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 680 | T | 23.8 | Very low | 25.3 | Very low | 118 Ų | 118 | 164.6 Ų | 164.6 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | trans | -122.1 | 151.3 | 173.3 | -51.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 681 | L | 23.8 | Very low | 25.3 | Very low | 170 Ų | 170 | 159.9 Ų | 159.9 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -130.3 | 148.7 | 156.6 | -75.7 | 178.9 | 0 | 0 | 0 | 111.9 | ||||
| 682 | T | 25.4 | Very low | 25.3 | Very low | 119 Ų | 119 | 156.4 Ų | 156.4 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | trans | -118.5 | 146.1 | -153.9 | -20.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 683 | P | 26.1 | Very low | 25.6 | Very low | 122 Ų | 122 | 162.7 Ų | 162.7 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | trans | -74.8 | 141.8 | 168.5 | 30.6 | -34.4 | 0 | 0 | 0 | 111.7 | ||||
| 684 | R | 22.2 | Very low | 26.5 | Very low | 251 Ų | 251 | 158.9 Ų | 158.9 | 95% | 0.947 | 83% | 0.826 | S | S | * | * | trans | -105.1 | 147 | 178.7 | -120.4 | -175.6 | 173 | -160.3 | -2.8 | 111.4 | ||||
| 685 | Y | 23.2 | Very low | 26.6 | Very low | 219 Ų | 219 | 151.1 Ų | 151.1 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -134.7 | 158.6 | -178.9 | -126.2 | -75.3 | 0 | 0 | 0 | 112.3 | ||||
| 686 | K | 27 | Very low | 26.8 | Very low | 179 Ų | 179 | 152 Ų | 152 | 78% | 0.778 | 81% | 0.814 | S | S | * | * | trans | 75 | 125.1 | 164.7 | -65.4 | -177.9 | 176.7 | 177.9 | 0 | 119.1 | ||||
| 687 | T | 25 | Very low | 26.8 | Very low | 150 Ų | 150 | 154.9 Ų | 154.9 | 92% | 0.92 | 82% | 0.818 | S | S | * | * | -146.9 | 152.2 | 110.6 | -22.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 688 | T | 29.4 | Very low | 27 | Very low | 128 Ų | 128 | 159.4 Ų | 159.4 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -109.6 | 151.4 | -173.4 | 0.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 689 | R | 26.3 | Very low | 27.2 | Very low | 251 Ų | 251 | 164.1 Ų | 164.1 | 95% | 0.947 | 83% | 0.832 | S | S | * | * | trans | -151.6 | 151.2 | 152 | -112.9 | 178.1 | -175.2 | -164.5 | 0.3 | 112.1 | ||||
| 690 | Q | 29.3 | Very low | 27.3 | Very low | 202 Ų | 202 | 160.4 Ų | 160.4 | 94% | 0.944 | 82% | 0.822 | S | S | * | * | trans | -94.8 | 162.4 | -169 | -62.9 | 160.6 | -49.6 | 0 | 0 | 112.8 | ||||
| 691 | G | 26.1 | Very low | 28.1 | Very low | 74 Ų | 74 | 160.9 Ų | 160.9 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | 171.5 | 96.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 692 | A | 24.9 | Very low | 28.4 | Very low | 105 Ų | 105 | 157.6 Ų | 157.6 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | 60.5 | 124.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 693 | F | 30 | Very low | 28.6 | Very low | 206 Ų | 206 | 160 Ų | 160 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | trans | -90.4 | 175.6 | 152 | -79.9 | -77.5 | 0 | 0 | 0 | 109.7 | ||||
| 694 | P | 40.2 | Very low | 28.9 | Very low | 121 Ų | 121 | 160.3 Ų | 160.3 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | cis | -135.7 | -153.7 | 17.8 | 40 | -15.8 | 0 | 0 | 0 | 112.7 | ||||
| 695 | S | 27.8 | Very low | 29.8 | Very low | 90 Ų | 90 | 153.4 Ų | 153.4 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | cis | -161.1 | 158.8 | 4 | 96.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 696 | K | 30.1 | Very low | 29.9 | Very low | 171 Ų | 171 | 149.7 Ų | 149.7 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | 65.4 | 117.7 | 144.8 | -70 | 174.5 | -177.9 | 170.7 | 0 | 123.7 | ||||
| 697 | R | 27.4 | Very low | 30 | Very low | 225 Ų | 225 | 150.3 Ų | 150.3 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | 82.3 | 118.8 | 125.5 | -68.6 | -174.6 | -173.7 | -158.4 | 3.1 | 122.4 | |||||
| 698 | R | 30.1 | Very low | 30.2 | Very low | 237 Ų | 237 | 153.4 Ų | 153.4 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | 1 | 140.2 | 141.7 | -58.9 | 180 | 178.8 | -179.2 | -1.1 | 118.3 | ||||
| 699 | I | 28.7 | Very low | 30.6 | Very low | 168 Ų | 168 | 153.5 Ų | 153.5 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | -179.6 | 139.6 | 106.3 | -88.7 | 154.1 | 0 | 0 | 0 | 108.8 | |||||
| 700 | G | 27.2 | Very low | 31 | Very low | 62 Ų | 62 | 148.9 Ų | 148.9 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | -110.1 | 164.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 701 | P | 40.3 | Very low | 31.8 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | -150.3 | -166.3 | 69.9 | 39.8 | -19.1 | 0 | 0 | 0 | 115.6 | |||||
| 702 | S | 30.8 | Very low | 32 | Very low | 101 Ų | 101 | 150.2 Ų | 150.2 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -54.8 | 155.8 | 175.9 | 52.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 703 | L | 27.7 | Very low | 32.3 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | -178.5 | 135.4 | 125.7 | -96.1 | 165.9 | 0 | 0 | 0 | 112.6 | |||||
| 704 | T | 32.9 | Very low | 32.3 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -88.9 | -179.2 | 159.5 | 28 | 0 | 0 | 0 | 0 | 110 | ||||
| 705 | P | 42 | Very low | 31.8 | Very low | 106 Ų | 106 | 147 Ų | 147 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | cis | -135.3 | -169 | 6.1 | 42.4 | -24.1 | 0 | 0 | 0 | 115 | ||||
| 706 | L | 25.8 | Very low | 31.9 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | 176.8 | 133.1 | 126.8 | -94.2 | 164.7 | 0 | 0 | 0 | 116.4 | |||||
| 707 | K | 27.7 | Very low | 31.9 | Very low | 193 Ų | 193 | 152.3 Ų | 152.3 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | 62.2 | 132.7 | 147.2 | -76.9 | 173.1 | -176.3 | 177.8 | 0 | 124.4 | ||||
| 708 | R | 30.6 | Very low | 32.1 | Very low | 215 Ų | 215 | 147.6 Ų | 147.6 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -81.1 | 179.6 | 160.7 | -56.3 | 177.6 | 178.9 | 162.7 | -2.8 | 111.2 | ||||
| 709 | P | 37.8 | Very low | 32.2 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | -132.8 | 168.2 | 89.9 | 31.8 | -17.5 | 0 | 0 | 0 | 115.4 | |||||
| 710 | H | 33.8 | Very low | 32.3 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | -121.2 | 153 | 175.7 | -135.1 | 22.2 | 0 | 0 | 0 | 107.8 | ||||
| 711 | P | 45.8 | Very low | 32.4 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | -149.3 | 175.4 | 105 | 37.8 | -21.2 | 0 | 0 | 0 | 112.6 | |||||
| 712 | R | 30.9 | Very low | 32 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 73% | 0.725 | 76% | 0.757 | S | S | * | * | cis | -162.5 | 148.3 | -25.1 | -110.2 | -173.4 | 149.2 | 165.6 | -9.4 | 108.3 | ||||
| 713 | E | 31.4 | Very low | 32 | Very low | 145 Ų | 145 | 146 Ų | 146 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | 36.3 | 146.2 | 132 | -61 | 151.4 | -153 | 0 | 0 | 120.2 | ||||
| 714 | A | 28.5 | Very low | 32.3 | Very low | 84 Ų | 84 | 147.2 Ų | 147.2 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | cis | -148.4 | 142.1 | 29.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 715 | N | 31.2 | Very low | 32.2 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | 48.7 | 130.5 | 95.9 | -58.5 | -17.6 | 0 | 0 | 0 | 114.5 | |||||
| 716 | Y | 29.4 | Very low | 32 | Very low | 204 Ų | 204 | 151.6 Ų | 151.6 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | -145.9 | 139.4 | 53.7 | -86.5 | -101.2 | 0 | 0 | 0 | 110.4 | |||||
| 717 | Q | 29.8 | Very low | 32.1 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | 91.9 | 124 | 57.6 | -150.3 | 173 | 20.4 | 0 | 0 | 113.8 | |||||
| 718 | T | 31.4 | Very low | 32.8 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -85.3 | 151.9 | 180 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 719 | S | 31.7 | Very low | 33.4 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | 158.7 | 131.2 | 106.7 | 62.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 720 | D | 30.8 | Very low | 33.5 | Very low | 155 Ų | 155 | 153.8 Ų | 153.8 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | 61.1 | 136.3 | 138.9 | -71.9 | -35.1 | 0 | 0 | 0 | 126.2 | ||||
| 721 | S | 30.8 | Very low | 33.5 | Very low | 105 Ų | 105 | 153.8 Ų | 153.8 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 101 | 112.8 | 134.9 | 71.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 722 | E | 31.8 | Very low | 32.8 | Very low | 147 Ų | 147 | 156 Ų | 156 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | 74 | 127.8 | 134 | -70.7 | -151.2 | 126.9 | 0 | 0 | 125.3 | ||||
| 723 | K | 31.2 | Very low | 32.9 | Very low | 153 Ų | 153 | 154 Ų | 154 | 67% | 0.665 | 79% | 0.792 | S | S | * | * | trans | 83.4 | 117.6 | 134.3 | -75.9 | 167.4 | -179.1 | 146.7 | 0 | 122.4 | ||||
| 724 | K | 32.9 | Very low | 33 | Very low | 195 Ų | 195 | 154.5 Ų | 154.5 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | 61.9 | 114.6 | 137.1 | -68.7 | -175.4 | 173.5 | -177.3 | 0 | 120.3 | ||||
| 725 | K | 31.1 | Very low | 33.3 | Very low | 190 Ų | 190 | 158.9 Ų | 158.9 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | 179.9 | 116.8 | 113.6 | -99.5 | 173.7 | 179.2 | 179.7 | 0 | 110.1 | |||||
| 726 | T | 37.7 | Very low | 33.4 | Very low | 136 Ų | 136 | 160.4 Ų | 160.4 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | 53.9 | 117.9 | 102.6 | 63.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 727 | G | 28.4 | Very low | 33.7 | Very low | 80 Ų | 80 | 157.3 Ų | 157.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -179.1 | 90.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 728 | L | 42.9 | Very low | 34 | Very low | 167 Ų | 167 | 156.5 Ų | 156.5 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -74.6 | 145.7 | 158.5 | -76 | 85 | 0 | 0 | 0 | 108.5 | ||||
| 729 | Q | 41.7 | Very low | 34.2 | Very low | 163 Ų | 163 | 159 Ų | 159 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | 175.2 | 146.8 | 107.8 | -97.3 | -172.7 | -18.1 | 0 | 0 | 112.3 | |||||
| 730 | W | 39.9 | Very low | 34.5 | Very low | 314 Ų | 314 | 164.1 Ų | 164.1 | 100% | 1.189 | 83% | 0.825 | S | S | * | * | trans | 73.9 | 0 | 178.4 | -53.6 | 96.1 | 0 | 0 | 0 | 115.8 |
Retrieved 730 of 730 residues in 599.7 ms
(Link to these results)