| 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 | 58.9 | Low | 82.4 | Confident | 244 Ų | 244 | 117.8 Ų | 117.8 | 100% | 1.202 | 56% | 0.564 | S | S | * | * | 0 | 145.4 | 0 | -69.1 | -164 | -170.3 | 0 | 0 | 108.1 | |||||
| 2 | R | 77 | Confident | 82 | Confident | 164 Ų | 164 | 114.7 Ų | 114.7 | 62% | 0.619 | 56% | 0.557 | S | S | * | * | trans | -60.9 | 142.7 | 171.6 | -59.3 | -178 | -163.3 | 178.1 | 1.7 | 109.4 | D6 R7 E10 | R2-D6 HydrophobicContact CB-CB 4.35Å; R2-R7 HydrophobicContact CB-CG 4.18Å; R2-E10 IonicContact CZ-OE1 2.68Å; R2-E10 IonicContact CZ-OE2 2.76Å; R2-E10 IonicContact NH1-OE1 2.65Å; R2-E10 PolarHBondContact NH1-OE1 3.17Å; R2-E10 IonicContact NH1-OE2 3.78Å; R2-E10 PolarHBondContact NH1-OE2 2.95Å | ||
| 3 | T | 89.1 | Confident | 81.4 | Confident | 73 Ų | 73 | 107.5 Ų | 107.5 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | trans | -73 | 160.9 | 175.4 | 70.8 | 0 | 0 | 0 | 0 | 110.5 | H5 D6 R7 | T3-H5 PolarHBondContact O-N 3.1Å; T3-D6 WeakPolarHBondContact CB-OD2 3.38Å; T3-D6 WeakPolarHBondContact CG2-OD2 3.33Å; T3-D6 PolarHBondContact N-OD2 3.29Å; T3-D6 PolarHBondContact O-N 2.85Å; T3-D6 PolarHBondContact OG1-N 3.46Å; T3-D6 VanDerWaalsContact OG1-N 3.07Å; T3-D6 PolarHBondContact OG1-OD1 3Å; T3-D6 PolarHBondContact OG1-OD2 3.37Å; T3-R7 WeakPolarHBondContact O-CG 3.46Å; T3-R7 PolarHBondContact O-N 3.49Å; T3-R7 VanDerWaalsContact O-N 3.14Å | ||
| 4 | L | 89.5 | Confident | 80.7 | Confident | 123 Ų | 123 | 103.4 Ų | 103.4 | 64% | 0.644 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.3 | -37.1 | 173.1 | 178.3 | 62.8 | 0 | 0 | 0 | 111.1 | R7 I8 | L4-R7 PolarHBondContact O-N 3.45Å; L4-I8 HydrophobicContact CD1-CD1 4.24Å; L4-I8 HydrophobicContact CD1-CG1 4.41Å; L4-I8 HydrophobicContact CG-CD1 3.92Å; L4-I8 HydrophobicContact CG-CG1 4.49Å; L4-I8 WeakPolarHBondContact O-CG1 3.43Å; L4-I8 PolarHBondContact O-N 3.41Å |
| 5 | H | 90 | Very high | 79.7 | Confident | 120 Ų | 120 | 102.6 Ų | 102.6 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.6 | -44.3 | 177.8 | -168.3 | 65.3 | 0 | 0 | 0 | 111.7 | T3 R7 I8 N9 | T3-H5 PolarHBondContact O-N 3.1Å; H5-R7 VanDerWaalsContact C-N 3.27Å; H5-R7 PolarHBondContact O-N 2.86Å; H5-I8 PolarHBondContact O-N 3.07Å; H5-N9 PolarHBondContact CD2-ND2 2.95Å; H5-N9 PolarHBondContact NE2-ND2 3.3Å; H5-N9 WeakPolarHBondContact O-CB 3.45Å; H5-N9 VanDerWaalsContact O-CG 3.26Å; H5-N9 PolarHBondContact O-N 3.49Å; H5-N9 PolarHBondContact O-ND2 2.73Å |
| 6 | D | 88.3 | Confident | 78.8 | Confident | 76 Ų | 76 | 99.3 Ų | 99.3 | 41% | 0.406 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 175.3 | -57 | -35.2 | 0 | 0 | 0 | 111.4 | R2 T3 N9 E10 | R2-D6 HydrophobicContact CB-CB 4.35Å; T3-D6 WeakPolarHBondContact CB-OD2 3.38Å; T3-D6 WeakPolarHBondContact CG2-OD2 3.33Å; T3-D6 PolarHBondContact N-OD2 3.29Å; T3-D6 PolarHBondContact O-N 2.85Å; T3-D6 PolarHBondContact OG1-N 3.46Å; T3-D6 VanDerWaalsContact OG1-N 3.07Å; T3-D6 PolarHBondContact OG1-OD1 3Å; T3-D6 PolarHBondContact OG1-OD2 3.37Å; D6-N9 PolarHBondContact O-N 3.09Å; D6-E10 VanDerWaalsContact O-CB 3.27Å; D6-E10 WeakPolarHBondContact O-CB 3.48Å; D6-E10 PolarHBondContact O-N 2.92Å |
| 7 | R | 86.7 | Confident | 77.4 | Confident | 150 Ų | 150 | 103.2 Ų | 103.2 | 57% | 0.566 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.4 | -39.9 | 178.4 | -65.8 | 172.5 | 67.1 | -175.3 | 1 | 112.3 | R2 T3 L4 H5 L11 | R2-R7 HydrophobicContact CB-CG 4.18Å; T3-R7 WeakPolarHBondContact O-CG 3.46Å; T3-R7 PolarHBondContact O-N 3.49Å; T3-R7 VanDerWaalsContact O-N 3.14Å; L4-R7 PolarHBondContact O-N 3.45Å; H5-R7 VanDerWaalsContact C-N 3.27Å; H5-R7 PolarHBondContact O-N 2.86Å; R7-L11 VanDerWaalsContact O-CG 3.32Å; R7-L11 WeakPolarHBondContact O-CG 3.26Å; R7-L11 PolarHBondContact O-N 3.44Å |
| 8 | I | 84.8 | Confident | 75.5 | Confident | 80 Ų | 80 | 102.1 Ų | 102.1 | 41% | 0.41 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 175.7 | -69.9 | 167.2 | 0 | 0 | 0 | 109.8 | L4 H5 E10 L11 V12 | L4-I8 HydrophobicContact CD1-CD1 4.24Å; L4-I8 HydrophobicContact CD1-CG1 4.41Å; L4-I8 HydrophobicContact CG-CD1 3.92Å; L4-I8 HydrophobicContact CG-CG1 4.49Å; L4-I8 WeakPolarHBondContact O-CG1 3.43Å; L4-I8 PolarHBondContact O-N 3.41Å; H5-I8 PolarHBondContact O-N 3.07Å; I8-E10 VanDerWaalsContact C-N 3.3Å; I8-E10 PolarHBondContact O-N 3.3Å; I8-L11 PolarHBondContact O-N 3.46Å; I8-V12 HydrophobicContact CG2-CG2 4.31Å; I8-V12 VanDerWaalsContact O-CG2 3.32Å; I8-V12 WeakPolarHBondContact O-CG2 3.49Å; I8-V12 PolarHBondContact O-N 3.02Å |
| 9 | N | 81.7 | Confident | 74.1 | Confident | 76 Ų | 76 | 97.5 Ų | 97.5 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 178 | -68.9 | -17.6 | 0 | 0 | 0 | 111.3 | H5 D6 V12 S13 | H5-N9 PolarHBondContact CD2-ND2 2.95Å; H5-N9 PolarHBondContact NE2-ND2 3.3Å; H5-N9 WeakPolarHBondContact O-CB 3.45Å; H5-N9 VanDerWaalsContact O-CG 3.26Å; H5-N9 PolarHBondContact O-N 3.49Å; H5-N9 PolarHBondContact O-ND2 2.73Å; D6-N9 PolarHBondContact O-N 3.09Å; N9-V12 PolarHBondContact O-N 3.05Å; N9-S13 VanDerWaalsContact O-CB 3.24Å; N9-S13 WeakPolarHBondContact O-CB 3.42Å; N9-S13 PolarHBondContact O-N 2.81Å |
| 10 | E | 81.1 | Confident | 72.5 | Confident | 84 Ų | 84 | 98.2 Ų | 98.2 | 39% | 0.393 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 173.2 | -171.3 | 176.5 | -173.1 | 0 | 0 | 111 | R2 D6 I8 V12 S13 L14 | R2-E10 IonicContact CZ-OE1 2.68Å; R2-E10 IonicContact CZ-OE2 2.76Å; R2-E10 IonicContact NH1-OE1 2.65Å; R2-E10 PolarHBondContact NH1-OE1 3.17Å; R2-E10 IonicContact NH1-OE2 3.78Å; R2-E10 PolarHBondContact NH1-OE2 2.95Å; D6-E10 VanDerWaalsContact O-CB 3.27Å; D6-E10 WeakPolarHBondContact O-CB 3.48Å; D6-E10 PolarHBondContact O-N 2.92Å; I8-E10 VanDerWaalsContact C-N 3.3Å; I8-E10 PolarHBondContact O-N 3.3Å; E10-V12 PolarHBondContact O-N 3.47Å; E10-S13 WeakPolarHBondContact CA-OG 3.39Å; E10-S13 WeakPolarHBondContact O-CB 3.47Å; E10-S13 PolarHBondContact O-N 2.99Å; E10-S13 VanDerWaalsContact O-N 3.15Å; E10-S13 PolarHBondContact O-OG 3.46Å; E10-L14 WeakPolarHBondContact O-CG 3.42Å; E10-L14 PolarHBondContact O-N 3.43Å; E10-L14 VanDerWaalsContact O-N 3.11Å |
| 11 | L | 79.6 | Confident | 71.2 | Confident | 106 Ų | 106 | 98.5 Ų | 98.5 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.1 | -42.9 | 175.7 | -74.5 | 171.2 | 0 | 0 | 0 | 112.9 | R7 I8 S13 L14 Y15 | R7-L11 VanDerWaalsContact O-CG 3.32Å; R7-L11 WeakPolarHBondContact O-CG 3.26Å; R7-L11 PolarHBondContact O-N 3.44Å; I8-L11 PolarHBondContact O-N 3.46Å; L11-S13 VanDerWaalsContact C-N 3.28Å; L11-L14 HydrophobicContact CD2-CD1 4.03Å; L11-L14 WeakPolarHBondContact O-CB 3.34Å; L11-L14 PolarHBondContact O-N 2.94Å; L11-Y15 WeakPolarHBondContact O-CD2 3.39Å |
| 12 | V | 77.6 | Confident | 70.5 | Confident | 80 Ų | 80 | 89.2 Ų | 89.2 | 49% | 0.485 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 174.3 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | I8 N9 E10 L14 Y15 T16 | I8-V12 HydrophobicContact CG2-CG2 4.31Å; I8-V12 VanDerWaalsContact O-CG2 3.32Å; I8-V12 WeakPolarHBondContact O-CG2 3.49Å; I8-V12 PolarHBondContact O-N 3.02Å; N9-V12 PolarHBondContact O-N 3.05Å; E10-V12 PolarHBondContact O-N 3.47Å; V12-L14 PolarHBondContact O-N 2.9Å; V12-Y15 PolarHBondContact O-N 3.23Å; V12-Y15 VanDerWaalsContact O-N 3.14Å; V12-T16 HydrophobicContact CG1-CG2 4.05Å; V12-T16 WeakPolarHBondContact O-CG2 3.46Å; V12-T16 PolarHBondContact O-N 3.44Å; V12-T16 PolarHBondContact O-OG1 3.09Å |
| 13 | S | 74.1 | Confident | 69 | Low | 22 Ų | 22 | 90.6 Ų | 90.6 | 15% | 0.154 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.5 | -24.8 | 177 | 80 | 0 | 0 | 0 | 0 | 113 | N9 E10 L11 Y15 T16 S19 | N9-S13 VanDerWaalsContact O-CB 3.24Å; N9-S13 WeakPolarHBondContact O-CB 3.42Å; N9-S13 PolarHBondContact O-N 2.81Å; E10-S13 WeakPolarHBondContact CA-OG 3.39Å; E10-S13 WeakPolarHBondContact O-CB 3.47Å; E10-S13 PolarHBondContact O-N 2.99Å; E10-S13 VanDerWaalsContact O-N 3.15Å; E10-S13 PolarHBondContact O-OG 3.46Å; L11-S13 VanDerWaalsContact C-N 3.28Å; S13-Y15 PolarHBondContact O-N 3.25Å; S13-T16 WeakPolarHBondContact CA-OG1 3.36Å; S13-T16 PolarHBondContact O-N 2.97Å; S13-S19 VanDerWaalsContact O-CA 3.24Å; S13-S19 WeakPolarHBondContact O-CA 3.47Å; S13-S19 WeakPolarHBondContact O-CB 3.12Å; S13-S19 PolarHBondContact O-N 3.4Å |
| 14 | L | 70.9 | Confident | 67 | Low | 49 Ų | 49 | 92.8 Ų | 92.8 | 26% | 0.257 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.3 | 175.6 | -60.9 | 179.9 | 0 | 0 | 0 | 113 | E10 L11 V12 S19 L21 | E10-L14 WeakPolarHBondContact O-CG 3.42Å; E10-L14 PolarHBondContact O-N 3.43Å; E10-L14 VanDerWaalsContact O-N 3.11Å; L11-L14 HydrophobicContact CD2-CD1 4.03Å; L11-L14 WeakPolarHBondContact O-CB 3.34Å; L11-L14 PolarHBondContact O-N 2.94Å; V12-L14 PolarHBondContact O-N 2.9Å; L14-S19 PolarHBondContact O-OG 3.24Å; L14-L21 HydrophobicContact CD2-CD1 3.94Å |
| 15 | Y | 66.7 | Low | 65.4 | Low | 92 Ų | 92 | 89.3 Ų | 89.3 | 36% | 0.361 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 8.1 | -176.5 | -58 | -80.8 | 0 | 0 | 0 | 113.1 | L11 V12 S13 | L11-Y15 WeakPolarHBondContact O-CD2 3.39Å; V12-Y15 PolarHBondContact O-N 3.23Å; V12-Y15 VanDerWaalsContact O-N 3.14Å; S13-Y15 PolarHBondContact O-N 3.25Å |
| 16 | T | 64.2 | Low | 63.8 | Low | 50 Ų | 50 | 86.9 Ų | 86.9 | 31% | 0.307 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -132.7 | 173.1 | -179.3 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | V12 S13 S18 S19 E413 | V12-T16 HydrophobicContact CG1-CG2 4.05Å; V12-T16 WeakPolarHBondContact O-CG2 3.46Å; V12-T16 PolarHBondContact O-N 3.44Å; V12-T16 PolarHBondContact O-OG1 3.09Å; S13-T16 WeakPolarHBondContact CA-OG1 3.36Å; S13-T16 PolarHBondContact O-N 2.97Å; T16-S18 PolarHBondContact O-N 3.34Å; T16-S19 PolarHBondContact O-N 2.89Å; T16-E413 VanDerWaalsContact CA-OE1 3.3Å; T16-E413 WeakPolarHBondContact CA-OE1 3.5Å; T16-E413 WeakPolarHBondContact CA-OE2 3.47Å |
| 17 | K | 55.3 | Low | 62.9 | Low | 165 Ų | 165 | 87.2 Ų | 87.2 | 72% | 0.717 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44 | -5.1 | -165.8 | -62.8 | -173.5 | 177.7 | 178.6 | 0 | 119.7 | E413 | K17-E413 VanDerWaalsContact CA-OE2 3.27Å; K17-E413 WeakPolarHBondContact CA-OE2 3.3Å; K17-E413 VanDerWaalsContact CG-OE1 3.28Å; K17-E413 WeakPolarHBondContact CG-OE1 3.46Å; K17-E413 VanDerWaalsContact N-CD 3.27Å; K17-E413 PolarHBondContact N-OE1 3.42Å; K17-E413 PolarHBondContact N-OE2 3.1Å |
| 18 | S | 44.4 | Very low | 62.4 | Low | 84 Ų | 84 | 81.1 Ų | 81.1 | 59% | 0.587 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | 34.1 | -170.8 | 40.7 | 0 | 0 | 0 | 0 | 113.1 | T16 P20 | T16-S18 PolarHBondContact O-N 3.34Å; S18-P20 WeakPolarHBondContact O-CD 3.37Å |
| 19 | S | 47.3 | Very low | 62.3 | Low | 14 Ų | 14 | 79.6 Ų | 79.6 | 10% | 0.098 | 43% | 0.429 | C | S | . | . | trans | -76 | 122.3 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | S13 L14 T16 L21 L22 | S13-S19 VanDerWaalsContact O-CA 3.24Å; S13-S19 WeakPolarHBondContact O-CA 3.47Å; S13-S19 WeakPolarHBondContact O-CB 3.12Å; S13-S19 PolarHBondContact O-N 3.4Å; L14-S19 PolarHBondContact O-OG 3.24Å; T16-S19 PolarHBondContact O-N 2.89Å; S19-L21 PolarHBondContact O-N 3.11Å; S19-L21 VanDerWaalsContact O-N 3.17Å; S19-L21 PolarHBondContact OG-N 2.98Å; S19-L22 WeakPolarHBondContact O-CB 3.48Å; S19-L22 WeakPolarHBondContact O-CD1 3.42Å; S19-L22 WeakPolarHBondContact O-CG 3.42Å; S19-L22 PolarHBondContact O-N 3.08Å; S19-L22 VanDerWaalsContact O-N 3.15Å | ||
| 20 | P | 43.9 | Very low | 62.6 | Low | 111 Ų | 111 | 76 Ų | 76 | 72% | 0.721 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -10.4 | 173.5 | 26.1 | -32.4 | 0 | 0 | 0 | 113.8 | S18 L22 | S18-P20 WeakPolarHBondContact O-CD 3.37Å; P20-L22 PolarHBondContact O-N 3.42Å |
| 21 | L | 44.4 | Very low | 62.8 | Low | 106 Ų | 106 | 75.8 Ų | 75.8 | 56% | 0.555 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 4 | 173.5 | -68.3 | 163.2 | 0 | 0 | 0 | 112.7 | L14 S19 E23 D24 | L14-L21 HydrophobicContact CD2-CD1 3.94Å; S19-L21 PolarHBondContact O-N 3.11Å; S19-L21 VanDerWaalsContact O-N 3.17Å; S19-L21 PolarHBondContact OG-N 2.98Å; L21-E23 PolarHBondContact O-N 3.2Å; L21-D24 PolarHBondContact O-N 3.05Å |
| 22 | L | 43.6 | Very low | 63.3 | Low | 48 Ų | 48 | 74.4 Ų | 74.4 | 25% | 0.251 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -67.5 | -11.5 | -177 | -83.4 | 159.6 | 0 | 0 | 0 | 115 | S19 P20 D24 N25 | S19-L22 WeakPolarHBondContact O-CB 3.48Å; S19-L22 WeakPolarHBondContact O-CD1 3.42Å; S19-L22 WeakPolarHBondContact O-CG 3.42Å; S19-L22 PolarHBondContact O-N 3.08Å; S19-L22 VanDerWaalsContact O-N 3.15Å; P20-L22 PolarHBondContact O-N 3.42Å; L22-D24 PolarHBondContact O-N 3.31Å; L22-N25 PolarHBondContact O-N 3.37Å; L22-N25 PolarHBondContact O-OD1 3.32Å; L22-N25 VanDerWaalsContact O-OD1 3.1Å |
| 23 | E | 45.4 | Very low | 63.9 | Low | 194 Ų | 194 | 72.5 Ų | 72.5 | 91% | 0.907 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -60.8 | -27.6 | 171.2 | -74.5 | -172.9 | 168.1 | 0 | 0 | 111.8 | L21 | L21-E23 PolarHBondContact O-N 3.2Š|
| 24 | D | 48.7 | Very low | 64.8 | Low | 118 Ų | 118 | 71.4 Ų | 71.4 | 63% | 0.631 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -102 | -0.5 | 178.2 | -97.5 | -21.7 | 0 | 0 | 0 | 115 | L21 L22 S26 | L21-D24 PolarHBondContact O-N 3.05Å; L22-D24 PolarHBondContact O-N 3.31Å; D24-S26 WeakPolarHBondContact O-CB 3.48Å; D24-S26 PolarHBondContact O-N 2.86Å |
| 25 | N | 54.3 | Low | 65.8 | Low | 50 Ų | 50 | 70.7 Ų | 70.7 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | trans | 46.9 | 21.8 | 170.2 | -85 | -20.8 | 0 | 0 | 0 | 116.8 | L22 L414 Y419 | L22-N25 PolarHBondContact O-N 3.37Å; L22-N25 PolarHBondContact O-OD1 3.32Å; L22-N25 VanDerWaalsContact O-OD1 3.1Å; N25-L414 HydrophobicContact CB-CD2 3.98Å; N25-Y419 PolarHBondContact ND2-OH 3.28Å | ||
| 26 | S | 57.1 | Low | 67.1 | Low | 69 Ų | 69 | 68.8 Ų | 68.8 | 48% | 0.483 | 37% | 0.372 | S | S | . | . | trans | -96.5 | -20.5 | -161.3 | 56.2 | 0 | 0 | 0 | 0 | 115.3 | D24 Y31 | D24-S26 WeakPolarHBondContact O-CB 3.48Å; D24-S26 PolarHBondContact O-N 2.86Å; S26-Y31 WeakPolarHBondContact O-CD2 3.32Å | ||
| 27 | L | 69.3 | Low | 68.5 | Low | 84 Ų | 84 | 66.4 Ų | 66.4 | 44% | 0.44 | 36% | 0.357 | S | S | . | . | trans | -120.1 | 117.2 | -170.5 | -69.1 | 163.6 | 0 | 0 | 0 | 111.6 | Y31 | L27-Y31 HydrophobicContact CD2-CD1 3.58Å; L27-Y31 HydrophobicContact CD2-CD2 4.37Å; L27-Y31 HydrophobicContact CD2-CE1 3.6Å; L27-Y31 HydrophobicContact CD2-CE2 4.39Å; L27-Y31 HydrophobicContact CD2-CG 4Å | ||
| 28 | S | 76.6 | Confident | 70.3 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | trans | -127.1 | 173.6 | 177.2 | 70.4 | 0 | 0 | 0 | 0 | 111.6 | E30 Y31 L32 | S28-E30 PolarHBondContact O-N 2.91Å; S28-E30 PolarHBondContact OG-N 2.68Å; S28-Y31 VanDerWaalsContact O-CB 3.31Å; S28-Y31 WeakPolarHBondContact O-CB 3.44Å; S28-Y31 PolarHBondContact O-N 3.23Å; S28-Y31 PolarHBondContact OG-N 2.79Å; S28-Y31 VanDerWaalsContact OG-N 3.1Å; S28-L32 PolarHBondContact O-N 3.36Å | ||
| 29 | V | 83.3 | Confident | 72.6 | Confident | 48 Ų | 48 | 57.6 Ų | 57.6 | 29% | 0.291 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -34 | 171.4 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | Y31 L32 L33 L411 | V29-Y31 VanDerWaalsContact C-N 3.32Å; V29-Y31 PolarHBondContact O-N 3.19Å; V29-L32 WeakPolarHBondContact O-CB 3.47Å; V29-L32 PolarHBondContact O-N 3.28Å; V29-L33 WeakPolarHBondContact O-CG 3.39Å; V29-L33 PolarHBondContact O-N 2.8Å; V29-L411 HydrophobicContact CB-CB 4.28Å; V29-L411 HydrophobicContact CB-CD2 4.31Å; V29-L411 HydrophobicContact CG1-CD2 3.96Å; V29-L411 PolarHBondContact N-O 3.47Å |
| 30 | E | 86.8 | Confident | 74.7 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.009 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 172.6 | -62.3 | -166.8 | 138.4 | 0 | 0 | 111.8 | S28 L32 L33 D34 F405 T406 L411 N412 | S28-E30 PolarHBondContact O-N 2.91Å; S28-E30 PolarHBondContact OG-N 2.68Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 3.18Å; E30-L33 PolarHBondContact O-N 3.31Å; E30-D34 WeakPolarHBondContact O-CB 3.44Å; E30-D34 PolarHBondContact O-N 3.42Å; E30-F405 WeakPolarHBondContact OE2-CA 3.25Å; E30-T406 WeakPolarHBondContact OE1-CB 3.14Å; E30-T406 PolarHBondContact OE1-N 3.24Å; E30-T406 PolarHBondContact OE1-OG1 3.03Å; E30-T406 PolarHBondContact OE2-N 3.26Å; E30-L411 HydrophobicContact CG-CB 3.79Å; E30-N412 HydrophobicContact CG-CB 4.39Å; E30-N412 WeakPolarHBondContact OE2-CB 3.41Å; E30-N412 VanDerWaalsContact OE2-CG 3.22Å; E30-N412 PolarHBondContact OE2-ND2 3.17Å |
| 31 | Y | 86.5 | Confident | 77 | Confident | 78 Ų | 78 | 51.9 Ų | 51.9 | 31% | 0.306 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.5 | -40.6 | 173.5 | -169.9 | -77.8 | 0 | 0 | 0 | 112.2 | S26 L27 S28 V29 T35 I401 G402 | S26-Y31 WeakPolarHBondContact O-CD2 3.32Å; L27-Y31 HydrophobicContact CD2-CD1 3.58Å; L27-Y31 HydrophobicContact CD2-CD2 4.37Å; L27-Y31 HydrophobicContact CD2-CE1 3.6Å; L27-Y31 HydrophobicContact CD2-CE2 4.39Å; L27-Y31 HydrophobicContact CD2-CG 4Å; S28-Y31 VanDerWaalsContact O-CB 3.31Å; S28-Y31 WeakPolarHBondContact O-CB 3.44Å; S28-Y31 PolarHBondContact O-N 3.23Å; S28-Y31 PolarHBondContact OG-N 2.79Å; S28-Y31 VanDerWaalsContact OG-N 3.1Å; V29-Y31 VanDerWaalsContact C-N 3.32Å; V29-Y31 PolarHBondContact O-N 3.19Å; Y31-T35 PolarHBondContact O-N 2.89Å; Y31-T35 PolarHBondContact O-OG1 3.11Å; Y31-I401 HydrophobicContact CD1-CG2 3.83Å; Y31-I401 HydrophobicContact CD2-CG2 4.17Å; Y31-I401 HydrophobicContact CE1-CG2 3.46Å; Y31-I401 VanDerWaalsContact CE1-CG2 3.46Å; Y31-I401 HydrophobicContact CE2-CG2 3.83Å; Y31-I401 HydrophobicContact CG-CG2 4.16Å; Y31-I401 VanDerWaalsContact CZ-CG2 3.46Å; Y31-G402 VanDerWaalsContact CD2-CA 3.45Å |
| 32 | L | 88.2 | Confident | 79.1 | Confident | 77 Ų | 77 | 47.2 Ų | 47.2 | 40% | 0.403 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.5 | -39.1 | 177.2 | -178.2 | 62.8 | 0 | 0 | 0 | 112 | S28 V29 E30 T35 I36 | S28-L32 PolarHBondContact O-N 3.36Å; V29-L32 WeakPolarHBondContact O-CB 3.47Å; V29-L32 PolarHBondContact O-N 3.28Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 3.18Å; L32-T35 WeakPolarHBondContact O-CB 3.38Å; L32-T35 PolarHBondContact O-N 3.32Å; L32-I36 PolarHBondContact O-N 2.72Å |
| 33 | L | 91.7 | Very high | 81.2 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 175.3 | -65.2 | 176.2 | 0 | 0 | 0 | 111 | V29 E30 T35 I36 V37 I68 W72 L411 | V29-L33 WeakPolarHBondContact O-CG 3.39Å; V29-L33 PolarHBondContact O-N 2.8Å; E30-L33 PolarHBondContact O-N 3.31Å; L33-T35 VanDerWaalsContact C-N 3.27Å; L33-T35 PolarHBondContact O-N 3.19Å; L33-I36 PolarHBondContact O-N 3.02Å; L33-V37 WeakPolarHBondContact O-CG2 3.49Å; L33-V37 PolarHBondContact O-N 3.44Å; L33-I68 HydrophobicContact CD2-CD1 3.89Å; L33-I68 HydrophobicContact CD2-CG1 4.17Å; L33-W72 HydrophobicContact CB-CZ2 3.82Å; L33-L411 HydrophobicContact CD1-CD1 4.34Å |
| 34 | D | 91.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.3 | -44.8 | 171.4 | -87.7 | 0.2 | 0 | 0 | 0 | 111.3 | E30 I36 V37 C38 W72 Q149 I401 G402 F403 T404 | E30-D34 WeakPolarHBondContact O-CB 3.44Å; E30-D34 PolarHBondContact O-N 3.42Å; D34-I36 VanDerWaalsContact C-N 3.32Å; D34-I36 PolarHBondContact O-N 3.06Å; D34-V37 PolarHBondContact O-N 3.33Å; D34-C38 VanDerWaalsContact O-CB 3.23Å; D34-C38 WeakPolarHBondContact O-CB 3.44Å; D34-C38 PolarHBondContact O-N 3.4Å; D34-C38 PolarHBondContact O-SG 3.49Å; D34-C38 VanDerWaalsContact O-SG 3.37Å; D34-W72 WeakPolarHBondContact OD1-CH2 3.48Å; D34-W72 WeakPolarHBondContact OD1-CZ2 3.41Å; D34-Q149 PolarHBondContact OD1-NE2 3.47Å; D34-Q149 VanDerWaalsContact OD1-NE2 3.15Å; D34-Q149 PolarHBondContact OD2-NE2 3.4Å; D34-Q149 VanDerWaalsContact OD2-NE2 3.09Å; D34-I401 HydrophobicContact CB-CG2 4.2Å; D34-G402 WeakPolarHBondContact OD2-CA 3.45Å; D34-G402 PolarHBondContact OD2-N 2.87Å; D34-F403 PolarHBondContact OD2-N 3.16Å; D34-T404 WeakPolarHBondContact OD1-CB 3.45Å; D34-T404 PolarHBondContact OD1-OG1 2.79Å; D34-T404 PolarHBondContact OD2-N 2.97Å; D34-T404 PolarHBondContact OD2-OG1 3.24Å |
| 35 | T | 92.5 | Very high | 84.7 | Confident | 34 Ų | 34 | 34.2 Ų | 34.2 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.4 | -46.1 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | Y31 L32 L33 L39 I401 | Y31-T35 PolarHBondContact O-N 2.89Å; Y31-T35 PolarHBondContact O-OG1 3.11Å; L32-T35 WeakPolarHBondContact O-CB 3.38Å; L32-T35 PolarHBondContact O-N 3.32Å; L33-T35 VanDerWaalsContact C-N 3.27Å; L33-T35 PolarHBondContact O-N 3.19Å; T35-L39 HydrophobicContact CG2-CD1 3.85Å; T35-L39 HydrophobicContact CG2-CG 4.5Å; T35-L39 VanDerWaalsContact O-CB 3.29Å; T35-L39 WeakPolarHBondContact O-CB 3.39Å; T35-L39 WeakPolarHBondContact O-CD1 3.47Å; T35-L39 WeakPolarHBondContact O-CG 3.45Å; T35-L39 PolarHBondContact O-N 3.09Å; T35-L39 VanDerWaalsContact O-N 3.12Å; T35-I401 HydrophobicContact CG2-CD1 4.31Å; T35-I401 VanDerWaalsContact OG1-CG2 3.28Å; T35-I401 WeakPolarHBondContact OG1-CG2 3.48Å |
| 36 | I | 93.6 | Very high | 85.9 | Confident | 52 Ų | 52 | 35.9 Ų | 35.9 | 27% | 0.267 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.7 | -43.2 | -179.7 | -64.6 | 169.6 | 0 | 0 | 0 | 111 | L32 L33 D34 S40 V61 V65 I68 | L32-I36 PolarHBondContact O-N 2.72Å; L33-I36 PolarHBondContact O-N 3.02Å; D34-I36 VanDerWaalsContact C-N 3.32Å; D34-I36 PolarHBondContact O-N 3.06Å; I36-S40 WeakPolarHBondContact O-CB 3.4Å; I36-S40 PolarHBondContact O-N 3.01Å; I36-S40 VanDerWaalsContact O-N 3.14Å; I36-V61 HydrophobicContact CG2-CB 4.2Å; I36-V61 HydrophobicContact CG2-CG1 4.39Å; I36-V65 HydrophobicContact CG2-CG2 3.96Å; I36-I68 HydrophobicContact CG2-CD1 4.49Å |
| 37 | V | 94 | Very high | 86.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.1 | -49.1 | -177.9 | 176 | 0 | 0 | 0 | 0 | 111.4 | L33 D34 L39 S40 Y41 V65 I68 W72 | L33-V37 WeakPolarHBondContact O-CG2 3.49Å; L33-V37 PolarHBondContact O-N 3.44Å; D34-V37 PolarHBondContact O-N 3.33Å; V37-L39 PolarHBondContact O-N 3.35Å; V37-S40 WeakPolarHBondContact O-CA 3.32Å; V37-S40 VanDerWaalsContact O-CB 3.29Å; V37-S40 WeakPolarHBondContact O-CB 3.49Å; V37-S40 PolarHBondContact O-N 3.31Å; V37-S40 VanDerWaalsContact O-N 3.09Å; V37-Y41 HydrophobicContact CG1-CD2 4.07Å; V37-Y41 HydrophobicContact CG1-CE1 4.09Å; V37-Y41 HydrophobicContact CG1-CE2 3.48Å; V37-Y41 VanDerWaalsContact CG1-CE2 3.48Å; V37-Y41 VanDerWaalsContact CG1-CZ 3.49Å; V37-Y41 PolarHBondContact O-N 3.1Å; V37-V65 HydrophobicContact CG1-CG1 4.4Å; V37-V65 HydrophobicContact CG2-CG1 4.31Å; V37-I68 HydrophobicContact CG2-CB 4.2Å; V37-I68 HydrophobicContact CG2-CD1 4.19Å; V37-I68 HydrophobicContact CG2-CG2 3.73Å; V37-W72 HydrophobicContact CB-CH2 3.84Å; V37-W72 HydrophobicContact CB-CZ3 3.95Å; V37-W72 HydrophobicContact CG1-CH2 4.22Å; V37-W72 HydrophobicContact CG1-CZ3 3.81Å; V37-W72 HydrophobicContact CG2-CH2 3.58Å; V37-W72 HydrophobicContact CG2-CZ2 4.4Å; V37-W72 HydrophobicContact CG2-CZ3 3.76Å |
| 38 | C | 92.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 179.4 | -72 | 0 | 0 | 0 | 0 | 112.3 | D34 S40 Y41 E42 Q397 I401 | D34-C38 VanDerWaalsContact O-CB 3.23Å; D34-C38 WeakPolarHBondContact O-CB 3.44Å; D34-C38 PolarHBondContact O-N 3.4Å; D34-C38 PolarHBondContact O-SG 3.49Å; D34-C38 VanDerWaalsContact O-SG 3.37Å; C38-S40 VanDerWaalsContact C-N 3.28Å; C38-S40 PolarHBondContact O-N 3.23Å; C38-Y41 PolarHBondContact O-N 3.32Å; C38-E42 PolarHBondContact O-N 3.29Å; C38-Q397 HydrophobicContact CB-CB 4.05Å; C38-Q397 VanDerWaalsContact CB-O 3.29Å; C38-Q397 WeakPolarHBondContact CB-O 3.38Å; C38-Q397 VanDerWaalsContact O-CB 3.32Å; C38-Q397 WeakPolarHBondContact O-CB 3.31Å; C38-Q397 PolarHBondContact SG-O 3.06Å; C38-Q397 VanDerWaalsContact SG-O 3.35Å; C38-I401 HydrophobicContact CB-CD1 4.35Å; C38-I401 HydrophobicContact CB-CG1 3.74Å |
| 39 | L | 92.4 | Very high | 87 | Confident | 63 Ų | 63 | 38.5 Ų | 38.5 | 33% | 0.33 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.6 | -34 | 175.1 | -71.1 | 174.6 | 0 | 0 | 0 | 112.2 | T35 V37 E42 C43 F57 V398 | T35-L39 HydrophobicContact CG2-CD1 3.85Å; T35-L39 HydrophobicContact CG2-CG 4.5Å; T35-L39 VanDerWaalsContact O-CB 3.29Å; T35-L39 WeakPolarHBondContact O-CB 3.39Å; T35-L39 WeakPolarHBondContact O-CD1 3.47Å; T35-L39 WeakPolarHBondContact O-CG 3.45Å; T35-L39 PolarHBondContact O-N 3.09Å; T35-L39 VanDerWaalsContact O-N 3.12Å; V37-L39 PolarHBondContact O-N 3.35Å; L39-E42 PolarHBondContact O-N 3.08Å; L39-C43 WeakPolarHBondContact O-CB 3.34Å; L39-C43 PolarHBondContact O-N 3.2Å; L39-C43 PolarHBondContact O-SG 2.88Å; L39-F57 HydrophobicContact CB-CE1 3.71Å; L39-F57 HydrophobicContact CB-CZ 3.84Å; L39-F57 HydrophobicContact CD1-CZ 4.32Å; L39-V398 HydrophobicContact CD2-CG2 4.18Å |
| 40 | S | 92.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 173.7 | 179 | 0 | 0 | 0 | 0 | 111.6 | I36 V37 C38 C43 K44 | I36-S40 WeakPolarHBondContact O-CB 3.4Å; I36-S40 PolarHBondContact O-N 3.01Å; I36-S40 VanDerWaalsContact O-N 3.14Å; V37-S40 WeakPolarHBondContact O-CA 3.32Å; V37-S40 VanDerWaalsContact O-CB 3.29Å; V37-S40 WeakPolarHBondContact O-CB 3.49Å; V37-S40 PolarHBondContact O-N 3.31Å; V37-S40 VanDerWaalsContact O-N 3.09Å; C38-S40 VanDerWaalsContact C-N 3.28Å; C38-S40 PolarHBondContact O-N 3.23Å; S40-C43 PolarHBondContact O-N 2.88Å; S40-K44 WeakPolarHBondContact O-CG 3.39Å; S40-K44 PolarHBondContact O-N 3.28Å; S40-K44 VanDerWaalsContact O-N 3.11Å |
| 41 | Y | 91.4 | Very high | 86.8 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | 173.9 | -66.2 | -24.5 | 0 | 0 | 0 | 112.3 | V37 C38 C43 K44 L45 E69 E151 | V37-Y41 HydrophobicContact CG1-CD2 4.07Å; V37-Y41 HydrophobicContact CG1-CE1 4.09Å; V37-Y41 HydrophobicContact CG1-CE2 3.48Å; V37-Y41 VanDerWaalsContact CG1-CE2 3.48Å; V37-Y41 VanDerWaalsContact CG1-CZ 3.49Å; V37-Y41 PolarHBondContact O-N 3.1Å; C38-Y41 PolarHBondContact O-N 3.32Å; Y41-C43 VanDerWaalsContact C-N 3.31Å; Y41-C43 PolarHBondContact O-N 2.77Å; Y41-K44 HydrophobicContact CD1-CD 4.46Å; Y41-K44 WeakPolarHBondContact O-CB 3.45Å; Y41-K44 PolarHBondContact O-N 3.08Å; Y41-K44 VanDerWaalsContact O-N 3.08Å; Y41-L45 PolarHBondContact O-N 3.4Å; Y41-E69 WeakPolarHBondContact CE1-OE1 3.33Å; Y41-E69 VanDerWaalsContact CZ-OE1 3.23Å; Y41-E69 PolarHBondContact OH-OE1 2.86Å; Y41-E151 HydrophobicContact CD1-CB 4.19Å; Y41-E151 HydrophobicContact CD1-CG 4.04Å; Y41-E151 HydrophobicContact CD2-CB 4.46Å; Y41-E151 HydrophobicContact CE1-CB 4Å; Y41-E151 HydrophobicContact CE1-CG 4.34Å; Y41-E151 HydrophobicContact CE2-CB 4.26Å; Y41-E151 HydrophobicContact CG-CB 4.43Å; Y41-E151 HydrophobicContact CG-CG 4.19Å |
| 42 | E | 88.4 | Confident | 86.9 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 176.6 | -159.3 | 70.8 | -155.7 | 0 | 0 | 111 | C38 L39 K44 L45 H48 F393 Q397 | C38-E42 PolarHBondContact O-N 3.29Å; L39-E42 PolarHBondContact O-N 3.08Å; E42-K44 VanDerWaalsContact C-N 3.26Å; E42-K44 PolarHBondContact O-N 2.83Å; E42-L45 HydrophobicContact CG-CD1 4.47Å; E42-L45 WeakPolarHBondContact O-CB 3.14Å; E42-L45 WeakPolarHBondContact O-CG 3.17Å; E42-L45 PolarHBondContact O-N 3.48Å; E42-L45 VanDerWaalsContact O-N 3.15Å; E42-H48 PolarHBondContact O-CD2 2.9Å; E42-F393 HydrophobicContact CG-CD2 4.44Å; E42-F393 HydrophobicContact CG-CE2 3.82Å; E42-Q397 HydrophobicContact CB-CB 4.35Å; E42-Q397 WeakPolarHBondContact OE2-CB 3.42Å; E42-Q397 VanDerWaalsContact OE2-CG 3.29Å; E42-Q397 WeakPolarHBondContact OE2-CG 3.32Å; E42-Q397 PolarHBondContact OE2-N 3.41Å |
| 43 | C | 88.7 | Confident | 87 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 14% | 0.142 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.9 | -19.6 | 176.6 | -68 | 0 | 0 | 0 | 0 | 114.2 | L39 S40 Y41 L45 C54 | L39-C43 WeakPolarHBondContact O-CB 3.34Å; L39-C43 PolarHBondContact O-N 3.2Å; L39-C43 PolarHBondContact O-SG 2.88Å; S40-C43 PolarHBondContact O-N 2.88Å; Y41-C43 VanDerWaalsContact C-N 3.31Å; Y41-C43 PolarHBondContact O-N 2.77Å; C43-L45 VanDerWaalsContact C-N 3.35Å; C43-C54 HydrophobicContact CB-CB 4.13Å |
| 44 | K | 84.1 | Confident | 86.9 | Confident | 59 Ų | 59 | 56.7 Ų | 56.7 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -77.6 | -19.7 | 174.1 | -73.7 | 178.9 | -174.2 | 175 | 0 | 112.7 | S40 Y41 E42 Y58 E151 | S40-K44 WeakPolarHBondContact O-CG 3.39Å; S40-K44 PolarHBondContact O-N 3.28Å; S40-K44 VanDerWaalsContact O-N 3.11Å; Y41-K44 HydrophobicContact CD1-CD 4.46Å; Y41-K44 WeakPolarHBondContact O-CB 3.45Å; Y41-K44 PolarHBondContact O-N 3.08Å; Y41-K44 VanDerWaalsContact O-N 3.08Å; E42-K44 VanDerWaalsContact C-N 3.26Å; E42-K44 PolarHBondContact O-N 2.83Å; K44-Y58 HydrophobicContact CD-CE2 3.99Å; K44-Y58 WeakPolarHBondContact CE-OH 3.47Å; K44-Y58 HydrophobicContact CG-CD2 3.97Å; K44-Y58 HydrophobicContact CG-CE2 3.45Å; K44-Y58 VanDerWaalsContact CG-CE2 3.45Å; K44-E151 IonicContact NZ-OE2 3.88Å |
| 45 | L | 84.1 | Confident | 86.7 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -58.8 | 144.6 | -174.8 | -68.7 | 175.3 | 0 | 0 | 0 | 111.5 | Y41 E42 C43 Q47 H48 K49 P387 | Y41-L45 PolarHBondContact O-N 3.4Å; E42-L45 HydrophobicContact CG-CD1 4.47Å; E42-L45 WeakPolarHBondContact O-CB 3.14Å; E42-L45 WeakPolarHBondContact O-CG 3.17Å; E42-L45 PolarHBondContact O-N 3.48Å; E42-L45 VanDerWaalsContact O-N 3.15Å; C43-L45 VanDerWaalsContact C-N 3.35Å; L45-Q47 PolarHBondContact O-N 3.16Å; L45-H48 PolarHBondContact O-N 3.13Å; L45-K49 PolarHBondContact O-N 3.17Å; L45-P387 HydrophobicContact CD2-CB 3.95Å; L45-P387 HydrophobicContact CD2-CG 3.94Å |
| 46 | P | 77.7 | Confident | 86.7 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -31.5 | -179.9 | -26.9 | 34.3 | 0 | 0 | 0 | 114 | ||
| 47 | Q | 75.5 | Confident | 86.7 | Confident | 57 Ų | 57 | 66.8 Ų | 66.8 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -38 | 179 | -64.3 | 159.2 | 14 | 0 | 0 | 112.4 | L45 P388 G390 | L45-Q47 PolarHBondContact O-N 3.16Å; Q47-P388 PolarHBondContact NE2-O 2.94Å; Q47-G390 WeakPolarHBondContact CG-O 3.45Å; Q47-G390 PolarHBondContact NE2-O 3.43Å; Q47-G390 PolarHBondContact OE1-O 3.21Å |
| 48 | H | 79 | Confident | 86.6 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 15% | 0.148 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -4.3 | -176.9 | -60.6 | -52.6 | 0 | 0 | 0 | 113.4 | E42 L45 N50 E51 C54 F393 | E42-H48 PolarHBondContact O-CD2 2.9Å; L45-H48 PolarHBondContact O-N 3.13Å; H48-N50 PolarHBondContact O-N 3.14Å; H48-N50 VanDerWaalsContact O-N 3.14Å; H48-E51 WeakPolarHBondContact O-CB 3.36Å; H48-E51 PolarHBondContact O-N 3.27Å; H48-C54 HydrophobicContact CB-CB 4.24Å; H48-F393 AromaticContact NE2-CD2 3.81Å |
| 49 | K | 73.5 | Confident | 86.6 | Confident | 141 Ų | 141 | 74.1 Ų | 74.1 | 61% | 0.613 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25 | -176.8 | -169 | 176.2 | 179.9 | -179.4 | 0 | 113.9 | L45 I55 | L45-K49 PolarHBondContact O-N 3.17Å; K49-I55 VanDerWaalsContact O-CD1 3.24Å; K49-I55 WeakPolarHBondContact O-CD1 3.1Å; K49-I55 WeakPolarHBondContact O-CG1 3.19Å |
| 50 | N | 78.6 | Confident | 86.6 | Confident | 147 Ų | 147 | 74.1 Ų | 74.1 | 79% | 0.786 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -8 | 177.9 | -66.5 | -23.8 | 0 | 0 | 0 | 113.2 | H48 R52 | H48-N50 PolarHBondContact O-N 3.14Å; H48-N50 VanDerWaalsContact O-N 3.14Å; N50-R52 PolarHBondContact O-N 3.37Å |
| 51 | E | 86.9 | Confident | 86.7 | Confident | 110 Ų | 110 | 75.1 Ų | 75.1 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | trans | -78.9 | 119.3 | -177.1 | -72.2 | -59.3 | 155.4 | 0 | 0 | 111.4 | H48 N53 C54 I55 | H48-E51 WeakPolarHBondContact O-CB 3.36Å; H48-E51 PolarHBondContact O-N 3.27Å; E51-N53 VanDerWaalsContact C-N 3.26Å; E51-N53 PolarHBondContact O-N 3.49Å; E51-C54 HydrophobicContact CB-CB 3.89Å; E51-C54 VanDerWaalsContact CB-SG 3.58Å; E51-C54 PolarHBondContact O-N 3.47Å; E51-C54 VanDerWaalsContact O-N 3.12Å; E51-I55 WeakPolarHBondContact O-CG1 3.21Å; E51-I55 PolarHBondContact O-N 3.04Å | ||
| 52 | R | 87.1 | Confident | 86.8 | Confident | 212 Ų | 212 | 79 Ų | 79 | 80% | 0.8 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -56.2 | -39.6 | -173.6 | -175.5 | -179.9 | 179.3 | -178.9 | 0.5 | 112.9 | N50 K56 | N50-R52 PolarHBondContact O-N 3.37Å; R52-K56 WeakPolarHBondContact O-CB 3.19Å; R52-K56 PolarHBondContact O-N 3.46Å; R52-K56 VanDerWaalsContact O-N 3.09Å |
| 53 | N | 90.5 | Very high | 87 | Confident | 130 Ų | 130 | 86.9 Ų | 86.9 | 70% | 0.695 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -72.4 | -40.2 | -179.2 | -70.2 | -27.4 | 0 | 0 | 0 | 111.8 | E51 K56 F57 | E51-N53 VanDerWaalsContact C-N 3.26Å; E51-N53 PolarHBondContact O-N 3.49Å; N53-K56 PolarHBondContact O-N 3.35Å; N53-F57 PolarHBondContact O-N 3.01Å |
| 54 | C | 89.4 | Confident | 87.3 | Confident | 28 Ų | 28 | 93.5 Ų | 93.5 | 19% | 0.189 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 176 | -58.3 | 0 | 0 | 0 | 0 | 111 | C43 H48 E51 K56 F57 Y58 | C43-C54 HydrophobicContact CB-CB 4.13Å; H48-C54 HydrophobicContact CB-CB 4.24Å; E51-C54 HydrophobicContact CB-CB 3.89Å; E51-C54 VanDerWaalsContact CB-SG 3.58Å; E51-C54 PolarHBondContact O-N 3.47Å; E51-C54 VanDerWaalsContact O-N 3.12Å; C54-K56 VanDerWaalsContact C-N 3.34Å; C54-K56 PolarHBondContact O-N 3.29Å; C54-F57 PolarHBondContact O-N 3.36Å; C54-Y58 WeakPolarHBondContact O-CB 3.38Å; C54-Y58 PolarHBondContact O-N 2.89Å |
| 55 | I | 89.2 | Confident | 87.7 | Confident | 70 Ų | 70 | 90.7 Ų | 90.7 | 36% | 0.359 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 175 | -62.4 | 165.9 | 0 | 0 | 0 | 111.1 | K49 E51 N59 | K49-I55 VanDerWaalsContact O-CD1 3.24Å; K49-I55 WeakPolarHBondContact O-CD1 3.1Å; K49-I55 WeakPolarHBondContact O-CG1 3.19Å; E51-I55 WeakPolarHBondContact O-CG1 3.21Å; E51-I55 PolarHBondContact O-N 3.04Å; I55-N59 WeakPolarHBondContact CG2-ND2 3.38Å; I55-N59 WeakPolarHBondContact O-CB 3.41Å; I55-N59 VanDerWaalsContact O-CG 3.31Å; I55-N59 PolarHBondContact O-N 3.14Å; I55-N59 PolarHBondContact O-ND2 3.2Å; I55-N59 VanDerWaalsContact O-ND2 3.16Å |
| 56 | K | 92.1 | Very high | 88.1 | Confident | 156 Ų | 156 | 93.9 Ų | 93.9 | 68% | 0.678 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.4 | -47.1 | 179.1 | -174.2 | -175.5 | 177.1 | -171.7 | 0 | 111.2 | R52 N53 C54 A60 | R52-K56 WeakPolarHBondContact O-CB 3.19Å; R52-K56 PolarHBondContact O-N 3.46Å; R52-K56 VanDerWaalsContact O-N 3.09Å; N53-K56 PolarHBondContact O-N 3.35Å; C54-K56 VanDerWaalsContact C-N 3.34Å; C54-K56 PolarHBondContact O-N 3.29Å; K56-A60 WeakPolarHBondContact O-CB 3.33Å; K56-A60 PolarHBondContact O-N 2.73Å; K56-A60 VanDerWaalsContact O-N 3.12Å |
| 57 | F | 93.6 | Very high | 88.8 | Confident | 71 Ų | 71 | 96.1 Ų | 96.1 | 31% | 0.311 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.6 | -53.5 | 176.1 | 174.8 | -97.1 | 0 | 0 | 0 | 110.8 | L39 N53 C54 N59 A60 V61 | L39-F57 HydrophobicContact CB-CE1 3.71Å; L39-F57 HydrophobicContact CB-CZ 3.84Å; L39-F57 HydrophobicContact CD1-CZ 4.32Å; N53-F57 PolarHBondContact O-N 3.01Å; C54-F57 PolarHBondContact O-N 3.36Å; F57-N59 PolarHBondContact O-N 3.31Å; F57-A60 WeakPolarHBondContact O-CA 3.49Å; F57-A60 WeakPolarHBondContact O-CB 3.23Å; F57-A60 PolarHBondContact O-N 3.22Å; F57-V61 HydrophobicContact CD1-CG2 4.12Å; F57-V61 HydrophobicContact CD2-CG1 4.15Å; F57-V61 HydrophobicContact CE1-CG1 4.3Å; F57-V61 HydrophobicContact CE1-CG2 3.76Å; F57-V61 HydrophobicContact CE2-CG1 3.71Å; F57-V61 HydrophobicContact CZ-CG1 3.8Å; F57-V61 HydrophobicContact CZ-CG2 4.06Å; F57-V61 WeakPolarHBondContact O-CG2 3.25Å; F57-V61 PolarHBondContact O-N 2.93Å |
| 58 | Y | 92.2 | Very high | 89.6 | Confident | 51 Ų | 51 | 94.6 Ų | 94.6 | 20% | 0.2 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -53.1 | -50.7 | 179.8 | 175.7 | -110.6 | 0 | 0 | 0 | 112 | K44 C54 A60 V61 K62 | K44-Y58 HydrophobicContact CD-CE2 3.99Å; K44-Y58 WeakPolarHBondContact CE-OH 3.47Å; K44-Y58 HydrophobicContact CG-CD2 3.97Å; K44-Y58 HydrophobicContact CG-CE2 3.45Å; K44-Y58 VanDerWaalsContact CG-CE2 3.45Å; C54-Y58 WeakPolarHBondContact O-CB 3.38Å; C54-Y58 PolarHBondContact O-N 2.89Å; Y58-A60 VanDerWaalsContact C-N 3.28Å; Y58-A60 PolarHBondContact O-N 3.28Å; Y58-V61 PolarHBondContact O-N 3.13Å; Y58-K62 HydrophobicContact CE1-CD 4.25Å; Y58-K62 WeakPolarHBondContact O-CA 3.29Å; Y58-K62 VanDerWaalsContact O-CB 3.23Å; Y58-K62 WeakPolarHBondContact O-CB 3.41Å; Y58-K62 PolarHBondContact O-N 3.13Å |
| 59 | N | 92 | Very high | 90.2 | Very high | 103 Ų | 103 | 96 Ų | 96 | 55% | 0.551 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64 | -31.8 | 178.7 | -73.5 | -33.2 | 0 | 0 | 0 | 113.2 | I55 F57 | I55-N59 WeakPolarHBondContact CG2-ND2 3.38Å; I55-N59 WeakPolarHBondContact O-CB 3.41Å; I55-N59 VanDerWaalsContact O-CG 3.31Å; I55-N59 PolarHBondContact O-N 3.14Å; I55-N59 PolarHBondContact O-ND2 3.2Å; I55-N59 VanDerWaalsContact O-ND2 3.16Å; F57-N59 PolarHBondContact O-N 3.31Å |
| 60 | A | 93 | Very high | 91.1 | Very high | 64 Ų | 64 | 93.1 Ų | 93.1 | 53% | 0.529 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.6 | -39.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | K56 F57 Y58 | K56-A60 WeakPolarHBondContact O-CB 3.33Å; K56-A60 PolarHBondContact O-N 2.73Å; K56-A60 VanDerWaalsContact O-N 3.12Å; F57-A60 WeakPolarHBondContact O-CA 3.49Å; F57-A60 WeakPolarHBondContact O-CB 3.23Å; F57-A60 PolarHBondContact O-N 3.22Å; Y58-A60 VanDerWaalsContact C-N 3.28Å; Y58-A60 PolarHBondContact O-N 3.28Å |
| 61 | V | 94.3 | Very high | 91.6 | Very high | 21 Ų | 21 | 90.3 Ų | 90.3 | 13% | 0.127 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -91.8 | -19.7 | -175.8 | -56.3 | 0 | 0 | 0 | 0 | 114 | I36 F57 Y58 K63 Y64 V65 | I36-V61 HydrophobicContact CG2-CB 4.2Å; I36-V61 HydrophobicContact CG2-CG1 4.39Å; F57-V61 HydrophobicContact CD1-CG2 4.12Å; F57-V61 HydrophobicContact CD2-CG1 4.15Å; F57-V61 HydrophobicContact CE1-CG1 4.3Å; F57-V61 HydrophobicContact CE1-CG2 3.76Å; F57-V61 HydrophobicContact CE2-CG1 3.71Å; F57-V61 HydrophobicContact CZ-CG1 3.8Å; F57-V61 HydrophobicContact CZ-CG2 4.06Å; F57-V61 WeakPolarHBondContact O-CG2 3.25Å; F57-V61 PolarHBondContact O-N 2.93Å; Y58-V61 PolarHBondContact O-N 3.13Å; V61-K63 VanDerWaalsContact C-N 3.34Å; V61-K63 PolarHBondContact O-N 3.46Å; V61-K63 VanDerWaalsContact O-N 3.14Å; V61-Y64 WeakPolarHBondContact O-CA 3.1Å; V61-Y64 WeakPolarHBondContact O-CB 3.3Å; V61-Y64 PolarHBondContact O-N 3.44Å; V61-V65 HydrophobicContact CB-CG2 4.22Å; V61-V65 HydrophobicContact CG2-CG2 3.97Å; V61-V65 PolarHBondContact O-N 2.85Å |
| 62 | K | 92.9 | Very high | 91.8 | Very high | 87 Ų | 87 | 86.4 Ų | 86.4 | 38% | 0.378 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -45.9 | -50.9 | -171.7 | -179.1 | 177.6 | 179.6 | -175.4 | 0 | 114 | Y58 Y64 V65 D66 | Y58-K62 HydrophobicContact CE1-CD 4.25Å; Y58-K62 WeakPolarHBondContact O-CA 3.29Å; Y58-K62 VanDerWaalsContact O-CB 3.23Å; Y58-K62 WeakPolarHBondContact O-CB 3.41Å; Y58-K62 PolarHBondContact O-N 3.13Å; K62-Y64 VanDerWaalsContact C-N 3.25Å; K62-Y64 PolarHBondContact O-N 3.29Å; K62-V65 PolarHBondContact O-N 2.59Å; K62-D66 WeakPolarHBondContact O-CB 3.26Å; K62-D66 PolarHBondContact O-N 3.24Å |
| 63 | K | 93.5 | Very high | 92.1 | Very high | 173 Ų | 173 | 77.7 Ų | 77.7 | 75% | 0.752 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.7 | -32.3 | -179.3 | -66 | -178.1 | -179.9 | 179.6 | 0 | 113 | V61 K67 | V61-K63 VanDerWaalsContact C-N 3.34Å; V61-K63 PolarHBondContact O-N 3.46Å; V61-K63 VanDerWaalsContact O-N 3.14Å; K63-K67 WeakPolarHBondContact O-CB 3.25Å; K63-K67 PolarHBondContact O-N 3.3Å |
| 64 | Y | 93.4 | Very high | 92.1 | Very high | 159 Ų | 159 | 73.9 Ų | 73.9 | 62% | 0.624 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -77.2 | -41.4 | 177.1 | -56.1 | -77.5 | 0 | 0 | 0 | 110.6 | V61 K62 K67 I68 | V61-Y64 WeakPolarHBondContact O-CA 3.1Å; V61-Y64 WeakPolarHBondContact O-CB 3.3Å; V61-Y64 PolarHBondContact O-N 3.44Å; K62-Y64 VanDerWaalsContact C-N 3.25Å; K62-Y64 PolarHBondContact O-N 3.29Å; Y64-K67 CarbonylContact O-C 3.57Å; Y64-K67 WeakPolarHBondContact O-CA 2.93Å; Y64-K67 WeakPolarHBondContact O-CB 3.48Å; Y64-K67 PolarHBondContact O-N 2.65Å; Y64-K67 VanDerWaalsContact O-N 3.13Å; Y64-I68 VanDerWaalsContact O-CG1 3.23Å; Y64-I68 WeakPolarHBondContact O-CG1 3.48Å; Y64-I68 PolarHBondContact O-N 3.07Å |
| 65 | V | 93.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 174.3 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | I36 V37 V61 K62 K67 I68 E69 | I36-V65 HydrophobicContact CG2-CG2 3.96Å; V37-V65 HydrophobicContact CG1-CG1 4.4Å; V37-V65 HydrophobicContact CG2-CG1 4.31Å; V61-V65 HydrophobicContact CB-CG2 4.22Å; V61-V65 HydrophobicContact CG2-CG2 3.97Å; V61-V65 PolarHBondContact O-N 2.85Å; K62-V65 PolarHBondContact O-N 2.59Å; V65-K67 PolarHBondContact O-N 3.07Å; V65-I68 PolarHBondContact O-N 3.09Å; V65-I68 VanDerWaalsContact O-N 3.09Å; V65-E69 HydrophobicContact CG1-CG 4.32Å; V65-E69 WeakPolarHBondContact O-CG 3.42Å; V65-E69 PolarHBondContact O-N 2.77Å |
| 66 | D | 92.1 | Very high | 92.4 | Very high | 75 Ų | 75 | 77.2 Ų | 77.2 | 40% | 0.401 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.8 | -35.8 | 176 | -62.8 | -20.5 | 0 | 0 | 0 | 111.1 | K62 S70 | K62-D66 WeakPolarHBondContact O-CB 3.26Å; K62-D66 PolarHBondContact O-N 3.24Å; D66-S70 WeakPolarHBondContact O-CB 3.38Å; D66-S70 PolarHBondContact O-N 3.26Å; D66-S70 VanDerWaalsContact O-N 3.14Å |
| 67 | K | 93.2 | Very high | 92.5 | Very high | 130 Ų | 130 | 72.9 Ų | 72.9 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -73.2 | -41.5 | 177.2 | -177.4 | 58.9 | -173.3 | 155.9 | 0 | 112.4 | K63 Y64 V65 S70 C71 | K63-K67 WeakPolarHBondContact O-CB 3.25Å; K63-K67 PolarHBondContact O-N 3.3Å; Y64-K67 CarbonylContact O-C 3.57Å; Y64-K67 WeakPolarHBondContact O-CA 2.93Å; Y64-K67 WeakPolarHBondContact O-CB 3.48Å; Y64-K67 PolarHBondContact O-N 2.65Å; Y64-K67 VanDerWaalsContact O-N 3.13Å; V65-K67 PolarHBondContact O-N 3.07Å; K67-S70 PolarHBondContact O-N 3.36Å; K67-S70 PolarHBondContact O-OG 2.95Å; K67-C71 PolarHBondContact O-N 3.5Å; K67-C71 PolarHBondContact O-SG 3.44Å |
| 68 | I | 92.1 | Very high | 92.6 | Very high | 25 Ų | 25 | 70 Ų | 70 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.9 | -50.7 | 176 | -68.1 | 162.2 | 0 | 0 | 0 | 109.5 | L33 I36 V37 Y64 V65 S70 C71 W72 | L33-I68 HydrophobicContact CD2-CD1 3.89Å; L33-I68 HydrophobicContact CD2-CG1 4.17Å; I36-I68 HydrophobicContact CG2-CD1 4.49Å; V37-I68 HydrophobicContact CG2-CB 4.2Å; V37-I68 HydrophobicContact CG2-CD1 4.19Å; V37-I68 HydrophobicContact CG2-CG2 3.73Å; Y64-I68 VanDerWaalsContact O-CG1 3.23Å; Y64-I68 WeakPolarHBondContact O-CG1 3.48Å; Y64-I68 PolarHBondContact O-N 3.07Å; V65-I68 PolarHBondContact O-N 3.09Å; V65-I68 VanDerWaalsContact O-N 3.09Å; I68-S70 VanDerWaalsContact C-N 3.25Å; I68-S70 PolarHBondContact O-N 3.08Å; I68-C71 CarbonylContact O-C 3.25Å; I68-C71 WeakPolarHBondContact O-CA 3.37Å; I68-C71 PolarHBondContact O-N 3.25Å; I68-W72 HydrophobicContact CG2-CD2 3.69Å; I68-W72 VanDerWaalsContact CG2-CE2 3.42Å; I68-W72 HydrophobicContact CG2-CE3 4.03Å; I68-W72 HydrophobicContact CG2-CG 4.32Å; I68-W72 HydrophobicContact CG2-CH2 3.93Å; I68-W72 HydrophobicContact CG2-CZ2 3.56Å; I68-W72 HydrophobicContact CG2-CZ3 4.16Å; I68-W72 PolarHBondContact O-N 3.47Å |
| 69 | E | 91.7 | Very high | 92.7 | Very high | 62 Ų | 62 | 72.8 Ų | 72.8 | 29% | 0.29 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.8 | -36.6 | 177.2 | -70.8 | 178.9 | 153.8 | 0 | 0 | 112.2 | Y41 V65 C71 | Y41-E69 WeakPolarHBondContact CE1-OE1 3.33Å; Y41-E69 VanDerWaalsContact CZ-OE1 3.23Å; Y41-E69 PolarHBondContact OH-OE1 2.86Å; V65-E69 HydrophobicContact CG1-CG 4.32Å; V65-E69 WeakPolarHBondContact O-CG 3.42Å; V65-E69 PolarHBondContact O-N 2.77Å; E69-C71 PolarHBondContact O-N 2.81Å |
| 70 | S | 91.1 | Very high | 92.8 | Very high | 81 Ų | 81 | 71.4 Ų | 71.4 | 57% | 0.566 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -16 | 176.1 | 77.9 | 0 | 0 | 0 | 0 | 114.7 | D66 K67 I68 | D66-S70 WeakPolarHBondContact O-CB 3.38Å; D66-S70 PolarHBondContact O-N 3.26Å; D66-S70 VanDerWaalsContact O-N 3.14Å; K67-S70 PolarHBondContact O-N 3.36Å; K67-S70 PolarHBondContact O-OG 2.95Å; I68-S70 VanDerWaalsContact C-N 3.25Å; I68-S70 PolarHBondContact O-N 3.08Å |
| 71 | C | 90.9 | Very high | 92.7 | Very high | 88 Ų | 88 | 71.3 Ų | 71.3 | 60% | 0.595 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -17.2 | -179 | -71 | 0 | 0 | 0 | 0 | 112.9 | K67 I68 E69 | K67-C71 PolarHBondContact O-N 3.5Å; K67-C71 PolarHBondContact O-SG 3.44Å; I68-C71 CarbonylContact O-C 3.25Å; I68-C71 WeakPolarHBondContact O-CA 3.37Å; I68-C71 PolarHBondContact O-N 3.25Å; E69-C71 PolarHBondContact O-N 2.81Å |
| 72 | W | 90.5 | Very high | 92.5 | Very high | 27 Ų | 27 | 75.8 Ų | 75.8 | 10% | 0.102 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -78.9 | 154.4 | 173.3 | -78.4 | -15.4 | 0 | 0 | 0 | 112.2 | L33 D34 V37 I68 S74 T404 | L33-W72 HydrophobicContact CB-CZ2 3.82Å; D34-W72 WeakPolarHBondContact OD1-CH2 3.48Å; D34-W72 WeakPolarHBondContact OD1-CZ2 3.41Å; V37-W72 HydrophobicContact CB-CH2 3.84Å; V37-W72 HydrophobicContact CB-CZ3 3.95Å; V37-W72 HydrophobicContact CG1-CH2 4.22Å; V37-W72 HydrophobicContact CG1-CZ3 3.81Å; V37-W72 HydrophobicContact CG2-CH2 3.58Å; V37-W72 HydrophobicContact CG2-CZ2 4.4Å; V37-W72 HydrophobicContact CG2-CZ3 3.76Å; I68-W72 HydrophobicContact CG2-CD2 3.69Å; I68-W72 VanDerWaalsContact CG2-CE2 3.42Å; I68-W72 HydrophobicContact CG2-CE3 4.03Å; I68-W72 HydrophobicContact CG2-CG 4.32Å; I68-W72 HydrophobicContact CG2-CH2 3.93Å; I68-W72 HydrophobicContact CG2-CZ2 3.56Å; I68-W72 HydrophobicContact CG2-CZ3 4.16Å; I68-W72 PolarHBondContact O-N 3.47Å; W72-S74 PolarHBondContact O-N 2.49Å; W72-T404 HydrophobicContact CZ2-CG2 4.46Å |
| 73 | I | 92 | Very high | 92.4 | Very high | 30 Ų | 30 | 73.2 Ų | 73.2 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | trans | -59.8 | 128.2 | 170.7 | -61.7 | 171.6 | 0 | 0 | 0 | 108.2 | F78 H146 F148 | I73-F78 HydrophobicContact CG2-CE2 3.53Å; I73-F78 HydrophobicContact CG2-CZ 3.74Å; I73-H146 HydrophobicContact CD1-CB 3.77Å; I73-F148 HydrophobicContact CB-CB 4.3Å; I73-F148 HydrophobicContact CB-CD1 4.01Å; I73-F148 HydrophobicContact CB-CD2 4.47Å; I73-F148 HydrophobicContact CB-CE1 4.47Å; I73-F148 HydrophobicContact CB-CG 4.02Å; I73-F148 HydrophobicContact CG2-CD1 3.67Å; I73-F148 HydrophobicContact CG2-CD2 4.28Å; I73-F148 HydrophobicContact CG2-CE1 3.63Å; I73-F148 HydrophobicContact CG2-CE2 4.24Å; I73-F148 HydrophobicContact CG2-CG 4.01Å; I73-F148 HydrophobicContact CG2-CZ 3.92Å; I73-F148 WeakPolarHBondContact O-CD2 3.27Å | ||
| 74 | S | 92 | Very high | 92 | Very high | 50 Ų | 50 | 65.9 Ų | 65.9 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | trans | -113.9 | 147.3 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | W72 S76 E77 F78 | W72-S74 PolarHBondContact O-N 2.49Å; S74-S76 WeakPolarHBondContact CB-OG 3.43Å; S74-S76 PolarHBondContact O-N 2.65Å; S74-S76 PolarHBondContact OG-N 3Å; S74-S76 PolarHBondContact OG-OG 3.04Å; S74-E77 PolarHBondContact N-OE1 3.21Å; S74-E77 WeakPolarHBondContact O-CB 3.47Å; S74-E77 PolarHBondContact O-N 3.5Å; S74-F78 WeakPolarHBondContact O-CD2 3.44Å | ||
| 75 | K | 93 | Very high | 91.5 | Very high | 86 Ų | 86 | 59.2 Ų | 59.2 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -51.6 | -29 | 170.2 | -179.5 | 169.8 | 178.5 | 170.2 | 0 | 112.7 | E77 F78 Y155 | K75-E77 PolarHBondContact O-N 3.48Å; K75-F78 PolarHBondContact O-N 3.49Å; K75-F78 VanDerWaalsContact O-N 3.14Å; K75-Y155 HydrophobicContact CB-CE1 4.42Å; K75-Y155 HydrophobicContact CB-CE2 4.38Å; K75-Y155 HydrophobicContact CD-CE1 3.78Å; K75-Y155 VanDerWaalsContact CD-OH 3.29Å; K75-Y155 WeakPolarHBondContact CD-OH 3.14Å; K75-Y155 HydrophobicContact CG-CE1 4.46Å |
| 76 | S | 91.8 | Very high | 90.9 | Very high | 82 Ų | 82 | 60.6 Ų | 60.6 | 57% | 0.573 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -65.6 | -18.1 | 178.6 | 65 | 0 | 0 | 0 | 0 | 114.7 | S74 F78 K98 | S74-S76 WeakPolarHBondContact CB-OG 3.43Å; S74-S76 PolarHBondContact O-N 2.65Å; S74-S76 PolarHBondContact OG-N 3Å; S74-S76 PolarHBondContact OG-OG 3.04Å; S76-F78 VanDerWaalsContact C-N 3.27Å; S76-K98 PolarHBondContact O-NZ 3.27Å |
| 77 | E | 93.6 | Very high | 89.9 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -79.8 | -9.1 | 175.1 | -65.4 | 179.2 | -134 | 0 | 0 | 113.4 | S74 K75 W97 K98 | S74-E77 PolarHBondContact N-OE1 3.21Å; S74-E77 WeakPolarHBondContact O-CB 3.47Å; S74-E77 PolarHBondContact O-N 3.5Å; K75-E77 PolarHBondContact O-N 3.48Å; E77-W97 PolarHBondContact OE2-NE1 3.22Å; E77-K98 VanDerWaalsContact O-CB 3.23Å; E77-K98 WeakPolarHBondContact O-CB 3.38Å; E77-K98 WeakPolarHBondContact O-CD 3.08Å; E77-K98 WeakPolarHBondContact O-CG 3.37Å; E77-K98 PolarHBondContact O-N 3.04Å |
| 78 | F | 95.8 | Very high | 88.7 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.4 | -179.8 | -60.4 | -83.9 | 0 | 0 | 0 | 110.1 | I73 S74 K75 S76 V95 K96 W97 F148 L157 | I73-F78 HydrophobicContact CG2-CE2 3.53Å; I73-F78 HydrophobicContact CG2-CZ 3.74Å; S74-F78 WeakPolarHBondContact O-CD2 3.44Å; K75-F78 PolarHBondContact O-N 3.49Å; K75-F78 VanDerWaalsContact O-N 3.14Å; S76-F78 VanDerWaalsContact C-N 3.27Å; F78-V95 HydrophobicContact CB-CB 4.03Å; F78-V95 HydrophobicContact CB-CG1 4.28Å; F78-V95 HydrophobicContact CB-CG2 4.35Å; F78-V95 HydrophobicContact CD1-CB 4.24Å; F78-V95 HydrophobicContact CD1-CG2 3.68Å; F78-V95 HydrophobicContact CE1-CG2 4.43Å; F78-V95 HydrophobicContact CG-CB 4.5Å; F78-V95 HydrophobicContact CG-CG2 4.28Å; F78-K96 WeakPolarHBondContact CA-O 3.42Å; F78-W97 HydrophobicContact CD1-CB 3.88Å; F78-W97 AromaticContact CD1-CD1 3.9Å; F78-W97 HydrophobicContact CD1-CG 4.03Å; F78-W97 HydrophobicContact CE1-CB 3.7Å; F78-W97 AromaticContact CE1-CD1 3.5Å; F78-W97 VanDerWaalsContact CE1-CD1 3.5Å; F78-W97 HydrophobicContact CE1-CD2 4.07Å; F78-W97 AromaticContact CE1-CG 3.5Å; F78-W97 HydrophobicContact CE1-CG 3.5Å; F78-W97 AromaticContact CZ-CD1 3.85Å; F78-W97 HydrophobicContact CZ-CD2 4.43Å; F78-W97 HydrophobicContact CZ-CG 4.16Å; F78-W97 AromaticContact CZ-NE1 3.98Å; F78-F148 HydrophobicContact CD2-CZ 4.24Å; F78-F148 AromaticContact CE2-CE1 3.93Å; F78-F148 HydrophobicContact CE2-CE1 3.93Å; F78-F148 HydrophobicContact CE2-CE2 4.47Å; F78-F148 AromaticContact CE2-CZ 3.56Å; F78-F148 HydrophobicContact CE2-CZ 3.56Å; F78-F148 HydrophobicContact CZ-CE1 4.2Å; F78-F148 HydrophobicContact CZ-CZ 4.27Å; F78-L157 HydrophobicContact CD1-CD1 4.15Å; F78-L157 HydrophobicContact CE1-CD1 3.44Å; F78-L157 VanDerWaalsContact CE1-CD1 3.44Å; F78-L157 HydrophobicContact CE1-CD2 3.9Å; F78-L157 HydrophobicContact CE1-CG 4.31Å; F78-L157 HydrophobicContact CZ-CD1 3.92Å; F78-L157 HydrophobicContact CZ-CD2 3.94Å; F78-L157 HydrophobicContact CZ-CG 4.49Å |
| 79 | E | 94.7 | Very high | 87.6 | Confident | 109 Ų | 109 | 56 Ų | 56 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 110.4 | 165.5 | 177.8 | -178.1 | -175.1 | 0 | 0 | 107.6 | I81 V95 K96 | E79-I81 PolarHBondContact O-N 3.47Å; E79-V95 CarbonylContact O-C 3.42Å; E79-V95 VanDerWaalsContact O-CA 3.29Å; E79-V95 WeakPolarHBondContact O-CA 3.34Å; E79-K96 HydrophobicContact CB-CB 4.3Å; E79-K96 PolarHBondContact N-O 3.47Å; E79-K96 PolarHBondContact O-N 2.85Å |
| 80 | T | 93.4 | Very high | 87.1 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 45% | 0.454 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 114.1 | 174.5 | -58.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 81 | I | 91.3 | Very high | 87.1 | Confident | 61 Ų | 61 | 50.5 Ų | 50.5 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -52.9 | 177.4 | -57 | -175.7 | 0 | 0 | 0 | 109.1 | E79 V94 K96 I103 D370 | E79-I81 PolarHBondContact O-N 3.47Å; I81-V94 HydrophobicContact CB-CB 4.49Å; I81-V94 HydrophobicContact CB-CG1 4.35Å; I81-V94 HydrophobicContact CD1-CG1 4.25Å; I81-V94 PolarHBondContact N-O 3.11Å; I81-K96 HydrophobicContact CD1-CB 4.14Å; I81-K96 HydrophobicContact CG1-CB 4.42Å; I81-I103 HydrophobicContact CD1-CD1 3.55Å; I81-D370 HydrophobicContact CD1-CB 3.95Å |
| 82 | R | 90.1 | Very high | 87.1 | Confident | 116 Ų | 116 | 47.9 Ų | 47.9 | 44% | 0.438 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 148.5 | -173.5 | -169.6 | 166.4 | -84 | -170.3 | -6.1 | 112.1 | S93 V94 T372 | R82-S93 CarbonylContact O-C 3.55Å; R82-S93 VanDerWaalsContact O-CA 3.27Å; R82-S93 WeakPolarHBondContact O-CA 3.47Å; R82-S93 WeakPolarHBondContact O-CB 3.3Å; R82-V94 PolarHBondContact N-O 3.19Å; R82-V94 PolarHBondContact O-N 3.29Å; R82-T372 HydrophobicContact CB-CG2 4.25Å; R82-T372 WeakPolarHBondContact CD-OG1 3.45Å; R82-T372 HydrophobicContact CG-CG2 4.5Å; R82-T372 PolarHBondContact NH1-OG1 2.69Å |
| 83 | L | 90.2 | Very high | 87.3 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.3 | 169.3 | 179.5 | 69.7 | 0 | 0 | 0 | 108.7 | D91 V92 E378 | L83-D91 HydrophobicContact CD1-CB 3.69Å; L83-V92 WeakPolarHBondContact CD1-O 3.19Å; L83-E378 WeakPolarHBondContact CD2-O 3.44Å |
| 84 | I | 85.8 | Confident | 87.4 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -11.4 | -177.4 | 54.8 | 166.8 | 0 | 0 | 0 | 113.9 | V92 V94 F160 T372 F375 | I84-V92 HydrophobicContact CD1-CG1 3.92Å; I84-V92 HydrophobicContact CG1-CB 4.24Å; I84-V92 HydrophobicContact CG1-CG1 3.91Å; I84-V92 VanDerWaalsContact CG1-O 3.23Å; I84-V92 WeakPolarHBondContact CG1-O 3.46Å; I84-V92 PolarHBondContact N-O 2.85Å; I84-V94 HydrophobicContact CB-CG2 4.42Å; I84-V94 HydrophobicContact CD1-CG2 3.76Å; I84-V94 HydrophobicContact CG1-CG2 4.08Å; I84-V94 HydrophobicContact CG2-CG2 3.54Å; I84-F160 HydrophobicContact CD1-CD2 4.14Å; I84-F160 HydrophobicContact CD1-CE2 3.81Å; I84-T372 HydrophobicContact CG2-CG2 4.06Å; I84-F375 HydrophobicContact CB-CB 4.42Å; I84-F375 HydrophobicContact CB-CD1 4.41Å; I84-F375 HydrophobicContact CB-CG 4.26Å; I84-F375 HydrophobicContact CD1-CE1 4.38Å; I84-F375 HydrophobicContact CD1-CZ 4.32Å; I84-F375 HydrophobicContact CG2-CB 4.37Å; I84-F375 HydrophobicContact CG2-CD2 4.33Å; I84-F375 HydrophobicContact CG2-CG 4.3Å |
| 85 | G | 83.9 | Confident | 87.6 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 145.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D91 V92 | G85-D91 CarbonylContact O-C 3.59Å; G85-D91 WeakPolarHBondContact O-CA 3.15Å; G85-V92 PolarHBondContact N-O 3.42Å; G85-V92 PolarHBondContact O-N 3.5Å |
| 86 | S | 79.7 | Confident | 87.8 | Confident | 30 Ų | 30 | 43.4 Ų | 43.4 | 21% | 0.21 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 80 | 175.2 | 159.5 | 0 | 0 | 0 | 0 | 110.5 | E378 | S86-E378 VanDerWaalsContact CB-OE2 3.31Å; S86-E378 WeakPolarHBondContact CB-OE2 3.24Å; S86-E378 PolarHBondContact N-OE2 2.73Å |
| 87 | G | 70.9 | Confident | 88 | Confident | 37 Ų | 37 | 40.8 Ų | 40.8 | 38% | 0.381 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 163.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F89 G90 R382 | G87-F89 PolarHBondContact O-N 3.15Å; G87-G90 PolarHBondContact N-O 3.34Å; G87-G90 VanDerWaalsContact N-O 3.08Å; G87-G90 PolarHBondContact O-N 3.47Å; G87-G90 VanDerWaalsContact O-N 3.12Å; G87-R382 VanDerWaalsContact C-NH2 3.28Å; G87-R382 PolarHBondContact O-NH1 2.62Å; G87-R382 PolarHBondContact O-NH2 3.16Å |
| 88 | A | 68.3 | Low | 88 | Confident | 59 Ų | 59 | 44 Ų | 44 | 49% | 0.488 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -21.8 | -166.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | R117 | A88-R117 PolarHBondContact O-NH1 3.41Š|
| 89 | F | 68.1 | Low | 87.7 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -11.9 | -175.5 | -54.4 | -72.1 | 0 | 0 | 0 | 114.6 | G87 L109 H110 M114 R117 R120 | G87-F89 PolarHBondContact O-N 3.15Å; F89-L109 HydrophobicContact CB-CD2 3.79Å; F89-H110 PolarHBondContact O-N 3.05Å; F89-M114 HydrophobicContact CB-CE 4.47Å; F89-M114 HydrophobicContact CB-CG 4.25Å; F89-M114 HydrophobicContact CD1-CG 4.43Å; F89-R117 HydrophobicContact CE1-CB 4.16Å; F89-R117 HydrophobicContact CE1-CG 4.47Å; F89-R120 HydrophobicContact CE1-CB 4.36Å; F89-R120 HydrophobicContact CZ-CB 3.77Å |
| 90 | G | 82.3 | Confident | 87.6 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.2 | -179.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | G87 S108 | G87-G90 PolarHBondContact N-O 3.34Å; G87-G90 VanDerWaalsContact N-O 3.08Å; G87-G90 PolarHBondContact O-N 3.47Å; G87-G90 VanDerWaalsContact O-N 3.12Å; G90-S108 CarbonylContact C-O 3.6Å; G90-S108 WeakPolarHBondContact CA-O 3.35Å |
| 91 | D | 90.7 | Very high | 87.5 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.4 | -171.6 | -68.7 | 0.7 | 0 | 0 | 0 | 109.1 | L83 G85 K107 S108 R382 | L83-D91 HydrophobicContact CD1-CB 3.69Å; G85-D91 CarbonylContact O-C 3.59Å; G85-D91 WeakPolarHBondContact O-CA 3.15Å; D91-K107 CarbonylContact O-C 3.39Å; D91-K107 WeakPolarHBondContact O-CA 3.39Å; D91-S108 PolarHBondContact N-O 3.16Å; D91-S108 PolarHBondContact O-N 3.22Å; D91-R382 IonicContact OD1-NH1 3.35Å |
| 92 | V | 92 | Very high | 87.7 | Confident | 33 Ų | 33 | 48.6 Ų | 48.6 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 118.2 | 173.8 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | L83 I84 G85 A105 K107 | L83-V92 WeakPolarHBondContact CD1-O 3.19Å; I84-V92 HydrophobicContact CD1-CG1 3.92Å; I84-V92 HydrophobicContact CG1-CB 4.24Å; I84-V92 HydrophobicContact CG1-CG1 3.91Å; I84-V92 VanDerWaalsContact CG1-O 3.23Å; I84-V92 WeakPolarHBondContact CG1-O 3.46Å; I84-V92 PolarHBondContact N-O 2.85Å; G85-V92 PolarHBondContact N-O 3.42Å; G85-V92 PolarHBondContact O-N 3.5Å; V92-A105 HydrophobicContact CG1-CB 4.29Å; V92-K107 HydrophobicContact CG2-CB 4.13Å; V92-K107 HydrophobicContact CG2-CD 4.38Å; V92-K107 HydrophobicContact CG2-CG 3.92Å |
| 93 | S | 93.7 | Very high | 88 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.1 | 179.2 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | R82 V95 L106 | R82-S93 CarbonylContact O-C 3.55Å; R82-S93 VanDerWaalsContact O-CA 3.27Å; R82-S93 WeakPolarHBondContact O-CA 3.47Å; R82-S93 WeakPolarHBondContact O-CB 3.3Å; S93-V95 PolarHBondContact O-N 2.84Å; S93-L106 PolarHBondContact N-O 3.32Å; S93-L106 PolarHBondContact O-N 3.04Å |
| 94 | V | 94.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 125 | 164.4 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | I81 R82 I84 I103 F160 T372 | I81-V94 HydrophobicContact CB-CB 4.49Å; I81-V94 HydrophobicContact CB-CG1 4.35Å; I81-V94 HydrophobicContact CD1-CG1 4.25Å; I81-V94 PolarHBondContact N-O 3.11Å; R82-V94 PolarHBondContact N-O 3.19Å; R82-V94 PolarHBondContact O-N 3.29Å; I84-V94 HydrophobicContact CB-CG2 4.42Å; I84-V94 HydrophobicContact CD1-CG2 3.76Å; I84-V94 HydrophobicContact CG1-CG2 4.08Å; I84-V94 HydrophobicContact CG2-CG2 3.54Å; V94-I103 HydrophobicContact CG1-CG2 3.51Å; V94-F160 HydrophobicContact CG1-CD1 4.22Å; V94-F160 HydrophobicContact CG1-CE1 4.19Å; V94-F160 HydrophobicContact CG1-CG 4.42Å; V94-F160 HydrophobicContact CG1-CZ 4.41Å; V94-F160 HydrophobicContact CG2-CD2 3.77Å; V94-F160 HydrophobicContact CG2-CE1 4.23Å; V94-F160 HydrophobicContact CG2-CE2 3.38Å; V94-F160 HydrophobicContact CG2-CG 4.37Å; V94-F160 HydrophobicContact CG2-CZ 3.63Å; V94-T372 HydrophobicContact CG2-CG2 3.95Å |
| 95 | V | 96.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.6 | -178.4 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | F78 E79 S93 I103 Y104 L106 L157 | F78-V95 HydrophobicContact CB-CB 4.03Å; F78-V95 HydrophobicContact CB-CG1 4.28Å; F78-V95 HydrophobicContact CB-CG2 4.35Å; F78-V95 HydrophobicContact CD1-CB 4.24Å; F78-V95 HydrophobicContact CD1-CG2 3.68Å; F78-V95 HydrophobicContact CE1-CG2 4.43Å; F78-V95 HydrophobicContact CG-CB 4.5Å; F78-V95 HydrophobicContact CG-CG2 4.28Å; E79-V95 CarbonylContact O-C 3.42Å; E79-V95 VanDerWaalsContact O-CA 3.29Å; E79-V95 WeakPolarHBondContact O-CA 3.34Å; S93-V95 PolarHBondContact O-N 2.84Å; V95-I103 WeakPolarHBondContact O-CA 3.21Å; V95-Y104 PolarHBondContact N-O 3.11Å; V95-Y104 PolarHBondContact O-N 2.87Å; V95-L106 HydrophobicContact CB-CB 4.4Å; V95-L106 HydrophobicContact CG1-CB 3.68Å; V95-L106 HydrophobicContact CG1-CD2 4.01Å; V95-L106 HydrophobicContact CG2-CB 3.75Å; V95-L157 HydrophobicContact CG2-CD1 4.12Å |
| 96 | K | 96.4 | Very high | 89.3 | Confident | 84 Ų | 84 | 42.3 Ų | 42.3 | 37% | 0.365 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 122.6 | 164.3 | -172.1 | 175.5 | -176.3 | 176.4 | 0 | 109.1 | F78 E79 I81 K98 G101 K102 I103 | F78-K96 WeakPolarHBondContact CA-O 3.42Å; E79-K96 HydrophobicContact CB-CB 4.3Å; E79-K96 PolarHBondContact N-O 3.47Å; E79-K96 PolarHBondContact O-N 2.85Å; I81-K96 HydrophobicContact CD1-CB 4.14Å; I81-K96 HydrophobicContact CG1-CB 4.42Å; K96-K98 PolarHBondContact O-N 2.69Å; K96-G101 WeakPolarHBondContact CE-O 3.49Å; K96-K102 WeakPolarHBondContact CA-O 3.35Å; K96-I103 HydrophobicContact CB-CD1 3.99Å; K96-I103 HydrophobicContact CD-CD1 4.43Å; K96-I103 HydrophobicContact CG-CD1 4.09Å |
| 97 | W | 96.1 | Very high | 90.1 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 123.3 | 174.1 | -168.9 | 16 | 0 | 0 | 0 | 109.3 | E77 F78 N99 G101 K102 Y104 H146 L157 | E77-W97 PolarHBondContact OE2-NE1 3.22Å; F78-W97 HydrophobicContact CD1-CB 3.88Å; F78-W97 AromaticContact CD1-CD1 3.9Å; F78-W97 HydrophobicContact CD1-CG 4.03Å; F78-W97 HydrophobicContact CE1-CB 3.7Å; F78-W97 AromaticContact CE1-CD1 3.5Å; F78-W97 VanDerWaalsContact CE1-CD1 3.5Å; F78-W97 HydrophobicContact CE1-CD2 4.07Å; F78-W97 AromaticContact CE1-CG 3.5Å; F78-W97 HydrophobicContact CE1-CG 3.5Å; F78-W97 AromaticContact CZ-CD1 3.85Å; F78-W97 HydrophobicContact CZ-CD2 4.43Å; F78-W97 HydrophobicContact CZ-CG 4.16Å; F78-W97 AromaticContact CZ-NE1 3.98Å; W97-N99 HydrophobicContact CD2-CB 3.94Å; W97-N99 HydrophobicContact CG-CB 4.13Å; W97-N99 HydrophobicContact CZ2-CB 4.09Å; W97-N99 PolarHBondContact O-N 2.97Å; W97-G101 WeakPolarHBondContact O-CA 3.36Å; W97-G101 PolarHBondContact O-N 3.03Å; W97-K102 PolarHBondContact N-O 3Å; W97-Y104 HydrophobicContact CB-CD2 3.86Å; W97-Y104 HydrophobicContact CB-CE2 3.79Å; W97-Y104 AromaticContact CE3-CE2 3.88Å; W97-Y104 HydrophobicContact CE3-CE2 3.88Å; W97-H146 AromaticContact CH2-CD2 3.98Å; W97-H146 AromaticContact CH2-NE2 3.88Å; W97-L157 HydrophobicContact CE3-CD2 4.42Å |
| 98 | K | 94.6 | Very high | 91.1 | Very high | 134 Ų | 134 | 40.3 Ų | 40.3 | 58% | 0.583 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.1 | -177.3 | -67.7 | 169.1 | -170.5 | 168.5 | 0 | 113.1 | S76 E77 K96 | S76-K98 PolarHBondContact O-NZ 3.27Å; E77-K98 VanDerWaalsContact O-CB 3.23Å; E77-K98 WeakPolarHBondContact O-CB 3.38Å; E77-K98 WeakPolarHBondContact O-CD 3.08Å; E77-K98 WeakPolarHBondContact O-CG 3.37Å; E77-K98 PolarHBondContact O-N 3.04Å; K96-K98 PolarHBondContact O-N 2.69Å |
| 99 | N | 89.5 | Confident | 92.2 | Very high | 123 Ų | 123 | 37.6 Ų | 37.6 | 66% | 0.658 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -47.6 | -176.3 | -174.4 | 43.4 | 0 | 0 | 0 | 112.6 | W97 | W97-N99 HydrophobicContact CD2-CB 3.94Å; W97-N99 HydrophobicContact CG-CB 4.13Å; W97-N99 HydrophobicContact CZ2-CB 4.09Å; W97-N99 PolarHBondContact O-N 2.97Å |
| 100 | D | 92.5 | Very high | 93.1 | Very high | 61 Ų | 61 | 36.2 Ų | 36.2 | 33% | 0.326 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -8.7 | -178.4 | 70.5 | -5.7 | 0 | 0 | 0 | 113.8 | K102 Y104 | D100-K102 HydrophobicContact CB-CG 4.44Å; D100-K102 PolarHBondContact O-N 3.08Å; D100-K102 PolarHBondContact OD1-N 3.41Å; D100-K102 WeakPolarHBondContact OD2-CD 3.17Å; D100-Y104 PolarHBondContact OD2-OH 2.87Å |
| 101 | G | 91.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 36.1 Ų | 36.1 | 37% | 0.371 | 18% | 0.184 | S | C | . | . | trans | 72.6 | 9.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K96 W97 | K96-G101 WeakPolarHBondContact CE-O 3.49Å; W97-G101 WeakPolarHBondContact O-CA 3.36Å; W97-G101 PolarHBondContact O-N 3.03Å | ||
| 102 | K | 95.1 | Very high | 92.9 | Very high | 130 Ų | 130 | 35.6 Ų | 35.6 | 57% | 0.565 | 18% | 0.181 | S | C | * | . | trans | -88.2 | 162.9 | -179.6 | -62.7 | -175.6 | -167.5 | 165.3 | 0 | 112.1 | K96 W97 D100 Y104 | K96-K102 WeakPolarHBondContact CA-O 3.35Å; W97-K102 PolarHBondContact N-O 3Å; D100-K102 HydrophobicContact CB-CG 4.44Å; D100-K102 PolarHBondContact O-N 3.08Å; D100-K102 PolarHBondContact OD1-N 3.41Å; D100-K102 WeakPolarHBondContact OD2-CD 3.17Å; K102-Y104 HydrophobicContact CB-CD2 4.42Å; K102-Y104 HydrophobicContact CB-CE2 3.6Å; K102-Y104 WeakPolarHBondContact O-CD2 3.42Å | ||
| 103 | I | 95.7 | Very high | 92.2 | Very high | 37 Ų | 37 | 35.7 Ų | 35.7 | 19% | 0.19 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 135.4 | -178.9 | -52.5 | -58.4 | 0 | 0 | 0 | 109.7 | I81 V94 V95 K96 F160 P369 D370 | I81-I103 HydrophobicContact CD1-CD1 3.55Å; V94-I103 HydrophobicContact CG1-CG2 3.51Å; V95-I103 WeakPolarHBondContact O-CA 3.21Å; K96-I103 HydrophobicContact CB-CD1 3.99Å; K96-I103 HydrophobicContact CD-CD1 4.43Å; K96-I103 HydrophobicContact CG-CD1 4.09Å; I103-F160 HydrophobicContact CG2-CB 4.2Å; I103-F160 HydrophobicContact CG2-CD1 3.61Å; I103-F160 HydrophobicContact CG2-CE1 4.36Å; I103-F160 HydrophobicContact CG2-CG 4.17Å; I103-P369 HydrophobicContact CG1-CB 4.29Å; I103-D370 HydrophobicContact CD1-CB 3.98Å; I103-D370 HydrophobicContact CG1-CB 4.08Å; I103-D370 HydrophobicContact CG2-CB 4.44Å |
| 104 | Y | 96.5 | Very high | 91.3 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 162.2 | -179 | -62.2 | -81.5 | 0 | 0 | 0 | 110.5 | V95 W97 D100 K102 H145 L157 M158 | V95-Y104 PolarHBondContact N-O 3.11Å; V95-Y104 PolarHBondContact O-N 2.87Å; W97-Y104 HydrophobicContact CB-CD2 3.86Å; W97-Y104 HydrophobicContact CB-CE2 3.79Å; W97-Y104 AromaticContact CE3-CE2 3.88Å; W97-Y104 HydrophobicContact CE3-CE2 3.88Å; D100-Y104 PolarHBondContact OD2-OH 2.87Å; K102-Y104 HydrophobicContact CB-CD2 4.42Å; K102-Y104 HydrophobicContact CB-CE2 3.6Å; K102-Y104 WeakPolarHBondContact O-CD2 3.42Å; Y104-H145 AromaticContact CD1-CD2 3.87Å; Y104-H145 AromaticContact CD1-NE2 3.94Å; Y104-H145 AromaticContact CE1-CD2 3.85Å; Y104-H145 AromaticContact CE1-CE1 3.68Å; Y104-H145 AromaticContact CE1-CG 3.98Å; Y104-H145 AromaticContact CE1-ND1 3.9Å; Y104-H145 AromaticContact CE1-NE2 3.63Å; Y104-L157 HydrophobicContact CD1-CG 4.38Å; Y104-L157 HydrophobicContact CD2-CD1 4.46Å; Y104-L157 HydrophobicContact CG-CD1 3.97Å; Y104-L157 HydrophobicContact CG-CG 4.24Å; Y104-M158 WeakPolarHBondContact CB-O 3.34Å |
| 105 | A | 95.8 | Very high | 90 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V92 M158 F160 | V92-A105 HydrophobicContact CG1-CB 4.29Å; A105-M158 HydrophobicContact CB-CE 4.4Å; A105-M158 PolarHBondContact N-O 3.34Å; A105-M158 PolarHBondContact O-N 3.23Å; A105-F160 HydrophobicContact CB-CB 4.4Å; A105-F160 HydrophobicContact CB-CD2 4.49Å |
| 106 | L | 96.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 105.3 | 176.9 | -173.7 | 72 | 0 | 0 | 0 | 109.7 | S93 V95 F148 Y155 F156 L157 | S93-L106 PolarHBondContact N-O 3.32Å; S93-L106 PolarHBondContact O-N 3.04Å; V95-L106 HydrophobicContact CB-CB 4.4Å; V95-L106 HydrophobicContact CG1-CB 3.68Å; V95-L106 HydrophobicContact CG1-CD2 4.01Å; V95-L106 HydrophobicContact CG2-CB 3.75Å; L106-F148 HydrophobicContact CD1-CE1 3.99Å; L106-F148 HydrophobicContact CD1-CZ 3.82Å; L106-Y155 HydrophobicContact CD1-CD1 4.25Å; L106-Y155 HydrophobicContact CD2-CD1 4.21Å; L106-Y155 HydrophobicContact CG-CD1 4.23Å; L106-F156 CarbonylContact C-O 3.45Å; L106-F156 WeakPolarHBondContact CA-O 3.43Å; L106-L157 HydrophobicContact CD1-CB 4.44Å; L106-L157 HydrophobicContact CD1-CD1 4.12Å |
| 107 | K | 94.7 | Very high | 86.8 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 119.2 | 172.1 | -172.4 | 175.5 | -169.9 | -178.2 | 0 | 109 | D91 V92 L109 E126 Y155 F156 D223 | D91-K107 CarbonylContact O-C 3.39Å; D91-K107 WeakPolarHBondContact O-CA 3.39Å; V92-K107 HydrophobicContact CG2-CB 4.13Å; V92-K107 HydrophobicContact CG2-CD 4.38Å; V92-K107 HydrophobicContact CG2-CG 3.92Å; K107-L109 HydrophobicContact CG-CD2 4.4Å; K107-L109 HydrophobicContact CG-CG 4.49Å; K107-E126 IonicContact NZ-OE1 2.59Å; K107-E126 PolarHBondContact NZ-OE1 3.4Å; K107-E126 IonicContact NZ-OE2 3.52Å; K107-E126 PolarHBondContact NZ-OE2 3.42Å; K107-Y155 CarbonylContact O-C 3.59Å; K107-Y155 VanDerWaalsContact O-CA 3.31Å; K107-Y155 WeakPolarHBondContact O-CA 3.31Å; K107-F156 HydrophobicContact CB-CB 4.16Å; K107-F156 HydrophobicContact CD-CD2 4.47Å; K107-F156 PolarHBondContact N-O 3.4Å; K107-F156 PolarHBondContact O-N 3.43Å; K107-D223 IonicContact NZ-OD1 3.74Å; K107-D223 PolarHBondContact NZ-OD1 3.43Å |
| 108 | S | 93.6 | Very high | 84.7 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 108.8 | -177.9 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | G90 D91 L154 Y155 | G90-S108 CarbonylContact C-O 3.6Å; G90-S108 WeakPolarHBondContact CA-O 3.35Å; D91-S108 PolarHBondContact N-O 3.16Å; D91-S108 PolarHBondContact O-N 3.22Å; S108-L154 CarbonylContact C-O 3.53Å; S108-L154 WeakPolarHBondContact CA-O 3.49Å; S108-Y155 WeakPolarHBondContact OG-CD1 3.5Å; S108-Y155 WeakPolarHBondContact OG-CE1 3.4Å |
| 109 | L | 90.2 | Very high | 82.7 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.5 | 179.5 | -58.7 | 169.8 | 0 | 0 | 0 | 110.4 | F89 K107 M114 F123 F153 L154 F156 | F89-L109 HydrophobicContact CB-CD2 3.79Å; K107-L109 HydrophobicContact CG-CD2 4.4Å; K107-L109 HydrophobicContact CG-CG 4.49Å; L109-M114 HydrophobicContact CB-SD 3.72Å; L109-M114 HydrophobicContact CD1-CE 4.03Å; L109-M114 HydrophobicContact CD1-SD 3.91Å; L109-M114 HydrophobicContact CG-SD 4.32Å; L109-F123 HydrophobicContact CD1-CB 4.39Å; L109-F153 CarbonylContact O-C 3.5Å; L109-F153 WeakPolarHBondContact O-CA 3.47Å; L109-L154 HydrophobicContact CB-CB 4.26Å; L109-L154 PolarHBondContact N-O 3.3Å; L109-L154 PolarHBondContact O-N 2.84Å; L109-F156 HydrophobicContact CD1-CD2 4.17Å; L109-F156 HydrophobicContact CD1-CE2 3.62Å |
| 110 | H | 88 | Confident | 80.8 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 118.6 | -179.8 | -172.6 | -107.1 | 0 | 0 | 0 | 111.2 | F89 Y112 D113 M114 K152 F153 H384 E385 | F89-H110 PolarHBondContact O-N 3.05Å; H110-Y112 VanDerWaalsContact C-N 3.32Å; H110-Y112 AromaticContact CE1-CD2 3.7Å; H110-Y112 PolarHBondContact O-N 2.88Å; H110-D113 HydrophobicContact CB-CB 4.13Å; H110-D113 WeakPolarHBondContact CB-OD2 3.39Å; H110-D113 IonicContact CG-OD2 3.69Å; H110-D113 PolarHBondContact ND1-N 3.4Å; H110-D113 IonicContact ND1-OD1 2.76Å; H110-D113 PolarHBondContact ND1-OD1 3.03Å; H110-D113 IonicContact ND1-OD2 3.75Å; H110-D113 PolarHBondContact ND1-OD2 2.8Å; H110-D113 VanDerWaalsContact ND1-OD2 3.14Å; H110-D113 PolarHBondContact O-N 3.43Å; H110-D113 VanDerWaalsContact O-N 3.12Å; H110-M114 WeakPolarHBondContact O-CG 3.5Å; H110-M114 PolarHBondContact O-N 3.17Å; H110-K152 PolarHBondContact CD2-O 3.41Å; H110-F153 HydrophobicContact CB-CD1 4.04Å; H110-F153 HydrophobicContact CB-CE1 3.8Å; H110-F153 AromaticContact CD2-CE1 3.6Å; H110-F153 AromaticContact CD2-CZ 3.6Å; H110-H384 AromaticContact CD2-CG 3.99Å; H110-H384 AromaticContact CD2-ND1 3.98Å; H110-H384 AromaticContact CG-CG 3.99Å; H110-H384 AromaticContact CG-ND1 3.54Å; H110-H384 AromaticContact ND1-ND1 3.91Å; H110-E385 PolarHBondContact CE1-O 3.25Å; H110-E385 VanDerWaalsContact CE1-O 3.24Å |
| 111 | K | 87.5 | Confident | 78.8 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.3 | -46.9 | -171.8 | -73 | 180 | 167.9 | -174.3 | 0 | 112.8 | M114 L115 D150 K152 L154 | K111-M114 PolarHBondContact O-N 3.45Å; K111-L115 WeakPolarHBondContact O-CD1 3.05Å; K111-L115 PolarHBondContact O-N 3.36Å; K111-D150 VanDerWaalsContact CE-O 3.25Å; K111-D150 WeakPolarHBondContact CE-O 3.41Å; K111-D150 PolarHBondContact NZ-O 3.43Å; K111-K152 WeakPolarHBondContact CB-O 3.12Å; K111-K152 WeakPolarHBondContact CG-O 3.23Å; K111-K152 PolarHBondContact N-O 3.32Å; K111-L154 HydrophobicContact CD-CD2 4.38Å; K111-L154 HydrophobicContact CG-CD2 4.14Å; K111-L154 HydrophobicContact CG-CG 4Å |
| 112 | Y | 80.1 | Confident | 77.7 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -75.5 | -28.8 | -176 | -57.1 | -64.9 | 0 | 0 | 0 | 113.8 | H110 M114 L115 K116 P387 C396 Q397 | H110-Y112 VanDerWaalsContact C-N 3.32Å; H110-Y112 AromaticContact CE1-CD2 3.7Å; H110-Y112 PolarHBondContact O-N 2.88Å; Y112-M114 VanDerWaalsContact C-N 3.31Å; Y112-L115 PolarHBondContact O-N 3.32Å; Y112-K116 PolarHBondContact O-N 3.28Å; Y112-P387 HydrophobicContact CD1-CB 3.98Å; Y112-P387 HydrophobicContact CE1-CB 3.55Å; Y112-P387 HydrophobicContact CE2-CB 4.2Å; Y112-P387 HydrophobicContact CE2-CG 4.41Å; Y112-P387 HydrophobicContact CG-CB 4.47Å; Y112-C396 HydrophobicContact CD1-CB 4.44Å; Y112-C396 HydrophobicContact CE1-CB 4.17Å; Y112-Q397 PolarHBondContact OH-NE2 2.78Å |
| 113 | D | 78.4 | Confident | 76.9 | Confident | 35 Ų | 35 | 35.5 Ų | 35.5 | 19% | 0.187 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.5 | -33.3 | 177.5 | -65.1 | -16.6 | 0 | 0 | 0 | 110.3 | H110 H384 | H110-D113 HydrophobicContact CB-CB 4.13Å; H110-D113 WeakPolarHBondContact CB-OD2 3.39Å; H110-D113 IonicContact CG-OD2 3.69Å; H110-D113 PolarHBondContact ND1-N 3.4Å; H110-D113 IonicContact ND1-OD1 2.76Å; H110-D113 PolarHBondContact ND1-OD1 3.03Å; H110-D113 IonicContact ND1-OD2 3.75Å; H110-D113 PolarHBondContact ND1-OD2 2.8Å; H110-D113 VanDerWaalsContact ND1-OD2 3.14Å; H110-D113 PolarHBondContact O-N 3.43Å; H110-D113 VanDerWaalsContact O-N 3.12Å; D113-H384 IonicContact OD2-CE1 3.54Å; D113-H384 IonicContact OD2-CG 2.64Å; D113-H384 IonicContact OD2-ND1 3.74Å; D113-H384 PolarHBondContact OD2-ND1 2.97Å |
| 114 | M | 74.6 | Confident | 76.2 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.039 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 174.2 | -64.4 | -166.2 | 84.9 | 0 | 0 | 112.5 | F89 L109 H110 K111 Y112 K116 R117 A121 F123 L154 | F89-M114 HydrophobicContact CB-CE 4.47Å; F89-M114 HydrophobicContact CB-CG 4.25Å; F89-M114 HydrophobicContact CD1-CG 4.43Å; L109-M114 HydrophobicContact CB-SD 3.72Å; L109-M114 HydrophobicContact CD1-CE 4.03Å; L109-M114 HydrophobicContact CD1-SD 3.91Å; L109-M114 HydrophobicContact CG-SD 4.32Å; H110-M114 WeakPolarHBondContact O-CG 3.5Å; H110-M114 PolarHBondContact O-N 3.17Å; K111-M114 PolarHBondContact O-N 3.45Å; Y112-M114 VanDerWaalsContact C-N 3.31Å; M114-K116 VanDerWaalsContact C-N 3.34Å; M114-K116 PolarHBondContact O-N 3.26Å; M114-R117 CarbonylContact O-C 3.58Å; M114-R117 PolarHBondContact O-N 3.47Å; M114-A121 HydrophobicContact CB-CB 3.93Å; M114-A121 HydrophobicContact CE-CB 3.79Å; M114-F123 HydrophobicContact CE-CB 4.04Å; M114-F123 HydrophobicContact CE-CD1 3.85Å; M114-F123 HydrophobicContact CE-CG 4.42Å; M114-F123 HydrophobicContact SD-CD1 4.09Å; M114-L154 HydrophobicContact SD-CD1 4.29Å |
| 115 | L | 67.4 | Low | 75.7 | Confident | 43 Ų | 43 | 38.1 Ų | 38.1 | 23% | 0.225 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.6 | -23.6 | -176.3 | -76.5 | 151.7 | 0 | 0 | 0 | 114.5 | K111 Y112 R117 S118 C396 A399 | K111-L115 WeakPolarHBondContact O-CD1 3.05Å; K111-L115 PolarHBondContact O-N 3.36Å; Y112-L115 PolarHBondContact O-N 3.32Å; L115-R117 PolarHBondContact O-N 2.6Å; L115-S118 PolarHBondContact O-N 2.97Å; L115-C396 HydrophobicContact CD1-CB 3.28Å; L115-C396 VanDerWaalsContact CD1-SG 3.6Å; L115-A399 HydrophobicContact CD2-CB 4.34Å |
| 116 | K | 65.8 | Low | 75.4 | Confident | 100 Ų | 100 | 38.1 Ų | 38.1 | 44% | 0.435 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.5 | 169.9 | -78.7 | -177.9 | 177.5 | 178.5 | 0 | 112.4 | Y112 M114 E385 | Y112-K116 PolarHBondContact O-N 3.28Å; M114-K116 VanDerWaalsContact C-N 3.34Å; M114-K116 PolarHBondContact O-N 3.26Å; K116-E385 IonicContact NZ-OE2 3.2Å; K116-E385 PolarHBondContact NZ-OE2 2.91Å |
| 117 | R | 59.6 | Low | 75.1 | Confident | 111 Ų | 111 | 39 Ų | 39 | 42% | 0.419 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 47.5 | -179.5 | -67.7 | 176.7 | 160 | 162.8 | -5 | 109.8 | A88 F89 M114 L115 D119 R120 | A88-R117 PolarHBondContact O-NH1 3.41Å; F89-R117 HydrophobicContact CE1-CB 4.16Å; F89-R117 HydrophobicContact CE1-CG 4.47Å; M114-R117 CarbonylContact O-C 3.58Å; M114-R117 PolarHBondContact O-N 3.47Å; L115-R117 PolarHBondContact O-N 2.6Å; R117-D119 PolarHBondContact O-N 2.92Å; R117-R120 HydrophobicContact CB-CB 4.33Å; R117-R120 PolarHBondContact O-N 2.84Å |
| 118 | S | 51 | Low | 74.8 | Confident | 84 Ų | 84 | 40.2 Ų | 40.2 | 59% | 0.587 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -38.4 | -32.5 | -173 | 46 | 0 | 0 | 0 | 0 | 115.2 | L115 R120 | L115-S118 PolarHBondContact O-N 2.97Å; S118-R120 VanDerWaalsContact C-N 3.33Å; S118-R120 PolarHBondContact O-N 3.38Å |
| 119 | D | 52.9 | Low | 74.6 | Confident | 106 Ų | 106 | 39.9 Ų | 39.9 | 57% | 0.567 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5 | -172.5 | -38 | -23.5 | 0 | 0 | 0 | 112.9 | R117 T240 | R117-D119 PolarHBondContact O-N 2.92Å; D119-T240 HydrophobicContact CB-CG2 3.23Å; D119-T240 WeakPolarHBondContact O-CG2 3.14Å; D119-T240 PolarHBondContact O-OG1 3.26Å |
| 120 | R | 48.8 | Very low | 74.7 | Confident | 98 Ų | 98 | 39.8 Ų | 39.8 | 37% | 0.37 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -17 | -176.6 | -64.1 | -173.1 | 155.9 | 149.5 | -7.2 | 114.8 | F89 R117 S118 C122 A241 V242 | F89-R120 HydrophobicContact CE1-CB 4.36Å; F89-R120 HydrophobicContact CZ-CB 3.77Å; R117-R120 HydrophobicContact CB-CB 4.33Å; R117-R120 PolarHBondContact O-N 2.84Å; S118-R120 VanDerWaalsContact C-N 3.33Å; S118-R120 PolarHBondContact O-N 3.38Å; R120-C122 PolarHBondContact O-N 3.46Å; R120-A241 PolarHBondContact NH2-O 3.28Å; R120-V242 HydrophobicContact CG-CG2 3.91Å |
| 121 | A | 51.5 | Low | 74.7 | Confident | 25 Ų | 25 | 39.7 Ų | 39.7 | 21% | 0.207 | 20% | 0.196 | C | C | . | . | trans | -83.2 | 77.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M114 F123 | M114-A121 HydrophobicContact CB-CB 3.93Å; M114-A121 HydrophobicContact CE-CB 3.79Å; A121-F123 VanDerWaalsContact C-N 3.33Å; A121-F123 PolarHBondContact O-N 3.04Å | ||
| 122 | C | 68.3 | Low | 74.7 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 8% | 0.081 | 20% | 0.204 | C | C | . | . | trans | -90.3 | 44.5 | 177.8 | -69.8 | 0 | 0 | 0 | 0 | 113.2 | R120 Q124 E125 E126 | R120-C122 PolarHBondContact O-N 3.46Å; C122-Q124 PolarHBondContact O-N 3.24Å; C122-E125 VanDerWaalsContact C-OE2 3.27Å; C122-E125 WeakPolarHBondContact CA-OE2 3.23Å; C122-E125 HydrophobicContact CB-CB 4.17Å; C122-E125 HydrophobicContact CB-CG 4.35Å; C122-E125 WeakPolarHBondContact CB-OE2 3.41Å; C122-E125 PolarHBondContact O-N 2.99Å; C122-E126 PolarHBondContact O-N 3.44Å | ||
| 123 | F | 78.2 | Confident | 75.1 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 9% | 0.088 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -25.9 | -179.3 | 59.6 | -95.7 | 0 | 0 | 0 | 112.7 | L109 M114 A121 R127 L154 A399 F403 | L109-F123 HydrophobicContact CD1-CB 4.39Å; M114-F123 HydrophobicContact CE-CB 4.04Å; M114-F123 HydrophobicContact CE-CD1 3.85Å; M114-F123 HydrophobicContact CE-CG 4.42Å; M114-F123 HydrophobicContact SD-CD1 4.09Å; A121-F123 VanDerWaalsContact C-N 3.33Å; A121-F123 PolarHBondContact O-N 3.04Å; F123-R127 WeakPolarHBondContact O-CB 3.4Å; F123-R127 PolarHBondContact O-N 3.24Å; F123-L154 HydrophobicContact CB-CD1 4.38Å; F123-L154 HydrophobicContact CD1-CD1 4.07Å; F123-L154 HydrophobicContact CD2-CD1 3.96Å; F123-L154 HydrophobicContact CE1-CD1 4.34Å; F123-L154 HydrophobicContact CE2-CD1 4.23Å; F123-L154 HydrophobicContact CG-CD1 3.86Å; F123-L154 HydrophobicContact CZ-CD1 4.41Å; F123-A399 VanDerWaalsContact CZ-O 3.29Å; F123-A399 WeakPolarHBondContact CZ-O 3.41Å; F123-F403 HydrophobicContact CB-CE2 4.42Å; F123-F403 AromaticContact CD2-CD2 3.64Å; F123-F403 HydrophobicContact CD2-CD2 3.64Å; F123-F403 HydrophobicContact CD2-CE2 4.17Å; F123-F403 HydrophobicContact CE2-CD2 4.21Å |
| 124 | Q | 80.5 | Confident | 75.5 | Confident | 49 Ų | 49 | 41.4 Ų | 41.4 | 23% | 0.229 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.9 | -43.2 | 179 | -157.2 | 67.7 | 25.8 | 0 | 0 | 109.9 | C122 R127 D128 G402 | C122-Q124 PolarHBondContact O-N 3.24Å; Q124-R127 PolarHBondContact O-N 2.7Å; Q124-D128 WeakPolarHBondContact O-CB 3.36Å; Q124-D128 PolarHBondContact O-N 3.13Å; Q124-G402 PolarHBondContact NE2-O 3.03Å |
| 125 | E | 85.8 | Confident | 75.8 | Confident | 55 Ų | 55 | 41.8 Ų | 41.8 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 172.7 | -64.4 | 80.9 | 174.1 | 0 | 0 | 111.5 | C122 R127 D128 V129 Y201 | C122-E125 VanDerWaalsContact C-OE2 3.27Å; C122-E125 WeakPolarHBondContact CA-OE2 3.23Å; C122-E125 HydrophobicContact CB-CB 4.17Å; C122-E125 HydrophobicContact CB-CG 4.35Å; C122-E125 WeakPolarHBondContact CB-OE2 3.41Å; C122-E125 PolarHBondContact O-N 2.99Å; E125-R127 VanDerWaalsContact C-N 3.32Å; E125-R127 PolarHBondContact O-N 3.19Å; E125-D128 PolarHBondContact O-N 3.4Å; E125-V129 WeakPolarHBondContact O-CB 3.16Å; E125-V129 VanDerWaalsContact O-CG2 3.29Å; E125-V129 WeakPolarHBondContact O-CG2 3.14Å; E125-V129 PolarHBondContact O-N 3.39Å; E125-Y201 HydrophobicContact CB-CE1 4.3Å; E125-Y201 HydrophobicContact CG-CE1 4.43Å |
| 126 | E | 90.8 | Very high | 76.7 | Confident | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.023 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.1 | -47.6 | 175.7 | 172.3 | 163.1 | -156.4 | 0 | 0 | 111.2 | K107 C122 M130 F156 F224 G225 | K107-E126 IonicContact NZ-OE1 2.59Å; K107-E126 PolarHBondContact NZ-OE1 3.4Å; K107-E126 IonicContact NZ-OE2 3.52Å; K107-E126 PolarHBondContact NZ-OE2 3.42Å; C122-E126 PolarHBondContact O-N 3.44Å; E126-M130 HydrophobicContact CG-CE 3.55Å; E126-M130 VanDerWaalsContact O-CE 3.28Å; E126-M130 WeakPolarHBondContact O-CE 3.44Å; E126-M130 PolarHBondContact O-N 3.4Å; E126-F156 HydrophobicContact CB-CZ 4.28Å; E126-F156 HydrophobicContact CG-CE1 4.11Å; E126-F156 HydrophobicContact CG-CE2 4.34Å; E126-F156 HydrophobicContact CG-CZ 3.81Å; E126-F224 HydrophobicContact CB-CB 4.18Å; E126-F224 HydrophobicContact CG-CB 4.03Å; E126-G225 WeakPolarHBondContact OE2-CA 3.39Å |
| 127 | R | 89.4 | Confident | 77.7 | Confident | 19 Ų | 19 | 46 Ų | 46 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -49.3 | 174 | -171.8 | -157.4 | 75.6 | 118.4 | 3.3 | 111.7 | F123 Q124 E125 V129 M130 V131 T147 F156 G402 F403 | F123-R127 WeakPolarHBondContact O-CB 3.4Å; F123-R127 PolarHBondContact O-N 3.24Å; Q124-R127 PolarHBondContact O-N 2.7Å; E125-R127 VanDerWaalsContact C-N 3.32Å; E125-R127 PolarHBondContact O-N 3.19Å; R127-V129 PolarHBondContact O-N 3.04Å; R127-M130 PolarHBondContact O-N 3.23Å; R127-V131 HydrophobicContact CG-CG2 4.35Å; R127-V131 VanDerWaalsContact O-CG2 3.31Å; R127-V131 WeakPolarHBondContact O-CG2 3.3Å; R127-V131 PolarHBondContact O-N 2.99Å; R127-T147 HydrophobicContact CG-CG2 4.15Å; R127-F156 HydrophobicContact CB-CE1 3.81Å; R127-F156 HydrophobicContact CB-CZ 4.27Å; R127-F156 HydrophobicContact CG-CE1 4.31Å; R127-G402 PolarHBondContact NH1-O 2.83Å; R127-F403 WeakPolarHBondContact CD-O 3.25Å |
| 128 | D | 87.4 | Confident | 79.2 | Confident | 43 Ų | 43 | 41.5 Ų | 41.5 | 23% | 0.23 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | -175.1 | -73.1 | -4.3 | 0 | 0 | 0 | 112.5 | Q124 E125 V131 K132 | Q124-D128 WeakPolarHBondContact O-CB 3.36Å; Q124-D128 PolarHBondContact O-N 3.13Å; E125-D128 PolarHBondContact O-N 3.4Å; D128-V131 PolarHBondContact O-N 3.32Å; D128-K132 VanDerWaalsContact O-CB 3.31Å; D128-K132 WeakPolarHBondContact O-CB 3.21Å; D128-K132 VanDerWaalsContact O-CG 3.3Å; D128-K132 WeakPolarHBondContact O-CG 3.37Å; D128-K132 PolarHBondContact O-N 3.08Å |
| 129 | V | 90.6 | Very high | 81.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.1 | -50.7 | 174.4 | 166.8 | 0 | 0 | 0 | 0 | 109.9 | E125 R127 K132 A133 L196 Y201 F224 C227 | E125-V129 WeakPolarHBondContact O-CB 3.16Å; E125-V129 VanDerWaalsContact O-CG2 3.29Å; E125-V129 WeakPolarHBondContact O-CG2 3.14Å; E125-V129 PolarHBondContact O-N 3.39Å; R127-V129 PolarHBondContact O-N 3.04Å; V129-K132 PolarHBondContact O-N 2.87Å; V129-A133 VanDerWaalsContact O-CB 3.27Å; V129-A133 WeakPolarHBondContact O-CB 3.24Å; V129-A133 PolarHBondContact O-N 3.09Å; V129-L196 HydrophobicContact CB-CD1 4.39Å; V129-L196 HydrophobicContact CG1-CD1 3.39Å; V129-L196 HydrophobicContact CG2-CD1 4.03Å; V129-Y201 HydrophobicContact CG2-CD1 3.53Å; V129-Y201 HydrophobicContact CG2-CD2 3.69Å; V129-Y201 HydrophobicContact CG2-CE1 3.88Å; V129-Y201 HydrophobicContact CG2-CE2 4.03Å; V129-Y201 HydrophobicContact CG2-CG 3.45Å; V129-Y201 VanDerWaalsContact CG2-CG 3.45Å; V129-F224 HydrophobicContact CB-CB 4.34Å; V129-F224 HydrophobicContact CB-CG 4.28Å; V129-F224 HydrophobicContact CG1-CB 4.24Å; V129-F224 HydrophobicContact CG1-CD1 3.7Å; V129-F224 HydrophobicContact CG1-CD2 4Å; V129-F224 HydrophobicContact CG1-CE1 4Å; V129-F224 HydrophobicContact CG1-CE2 4.27Å; V129-F224 HydrophobicContact CG1-CG 3.68Å; V129-F224 HydrophobicContact CG1-CZ 4.27Å; V129-C227 HydrophobicContact CG2-CB 4.21Å |
| 130 | M | 91.7 | Very high | 83.2 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68 | -37.9 | -178.4 | -73.7 | -173.2 | -78.8 | 0 | 0 | 113.2 | E126 R127 A133 M134 L144 F156 M158 F224 | E126-M130 HydrophobicContact CG-CE 3.55Å; E126-M130 VanDerWaalsContact O-CE 3.28Å; E126-M130 WeakPolarHBondContact O-CE 3.44Å; E126-M130 PolarHBondContact O-N 3.4Å; R127-M130 PolarHBondContact O-N 3.23Å; M130-A133 PolarHBondContact O-N 3.44Å; M130-M134 WeakPolarHBondContact O-CB 3.22Å; M130-M134 PolarHBondContact O-N 3.11Å; M130-L144 HydrophobicContact CB-CB 3.65Å; M130-L144 HydrophobicContact CB-CD2 3.84Å; M130-L144 HydrophobicContact CB-CG 4.33Å; M130-L144 HydrophobicContact CE-CD1 4.35Å; M130-L144 HydrophobicContact CG-CB 4.35Å; M130-L144 HydrophobicContact SD-CB 4.02Å; M130-L144 HydrophobicContact SD-CD1 4.25Å; M130-F156 HydrophobicContact CE-CD1 3.29Å; M130-F156 HydrophobicContact CE-CE1 3.4Å; M130-F156 HydrophobicContact CE-CG 4.14Å; M130-F156 HydrophobicContact CE-CZ 4.29Å; M130-M158 HydrophobicContact CE-SD 4.49Å; M130-M158 HydrophobicContact SD-CG 4.45Å; M130-M158 HydrophobicContact SD-SD 3.82Å; M130-F224 HydrophobicContact CG-CD2 3.49Å; M130-F224 VanDerWaalsContact CG-CD2 3.49Å; M130-F224 HydrophobicContact CG-CE2 3.59Å; M130-F224 HydrophobicContact SD-CD2 4.13Å; M130-F224 HydrophobicContact SD-CE2 4.32Å |
| 131 | V | 87.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -47.3 | 174.3 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | R127 D128 A133 M134 V135 L144 F405 | R127-V131 HydrophobicContact CG-CG2 4.35Å; R127-V131 VanDerWaalsContact O-CG2 3.31Å; R127-V131 WeakPolarHBondContact O-CG2 3.3Å; R127-V131 PolarHBondContact O-N 2.99Å; D128-V131 PolarHBondContact O-N 3.32Å; V131-A133 PolarHBondContact O-N 2.94Å; V131-M134 WeakPolarHBondContact O-CB 3.38Å; V131-M134 PolarHBondContact O-N 3.21Å; V131-V135 VanDerWaalsContact O-CG2 3.28Å; V131-V135 WeakPolarHBondContact O-CG2 3.41Å; V131-V135 PolarHBondContact O-N 2.94Å; V131-L144 HydrophobicContact CG2-CD2 3.91Å; V131-F405 HydrophobicContact CB-CE2 4.32Å; V131-F405 HydrophobicContact CG1-CD2 4.38Å; V131-F405 HydrophobicContact CG1-CE2 3.7Å; V131-F405 HydrophobicContact CG1-CZ 4.09Å; V131-F405 HydrophobicContact CG2-CD1 4.12Å; V131-F405 HydrophobicContact CG2-CD2 3.63Å; V131-F405 HydrophobicContact CG2-CE1 4.05Å; V131-F405 HydrophobicContact CG2-CE2 3.59Å; V131-F405 HydrophobicContact CG2-CG 3.96Å; V131-F405 HydrophobicContact CG2-CZ 3.82Å |
| 132 | K | 88.1 | Confident | 87.5 | Confident | 44 Ų | 44 | 32.3 Ų | 32.3 | 19% | 0.191 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 177 | -77.9 | 173.1 | 173.4 | -178.4 | 0 | 112.1 | D128 V129 V135 S136 L199 Y201 | D128-K132 VanDerWaalsContact O-CB 3.31Å; D128-K132 WeakPolarHBondContact O-CB 3.21Å; D128-K132 VanDerWaalsContact O-CG 3.3Å; D128-K132 WeakPolarHBondContact O-CG 3.37Å; D128-K132 PolarHBondContact O-N 3.08Å; V129-K132 PolarHBondContact O-N 2.87Å; K132-V135 PolarHBondContact O-N 3.38Å; K132-S136 WeakPolarHBondContact O-CB 3.37Å; K132-S136 PolarHBondContact O-N 3.21Å; K132-S136 PolarHBondContact O-OG 2.93Å; K132-L199 HydrophobicContact CB-CD1 4.09Å; K132-L199 HydrophobicContact CB-CD2 4.11Å; K132-Y201 HydrophobicContact CD-CE2 3.7Å; K132-Y201 VanDerWaalsContact NZ-CE2 3.29Å; K132-Y201 PolarHBondContact NZ-OH 3.39Å |
| 133 | A | 89.2 | Confident | 88.7 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V129 M130 V131 V135 S136 K137 S138 L141 L199 | V129-A133 VanDerWaalsContact O-CB 3.27Å; V129-A133 WeakPolarHBondContact O-CB 3.24Å; V129-A133 PolarHBondContact O-N 3.09Å; M130-A133 PolarHBondContact O-N 3.44Å; V131-A133 PolarHBondContact O-N 2.94Å; A133-V135 VanDerWaalsContact C-N 3.28Å; A133-V135 PolarHBondContact O-N 2.91Å; A133-S136 PolarHBondContact O-OG 3.36Å; A133-K137 WeakPolarHBondContact O-CA 3.49Å; A133-K137 PolarHBondContact O-N 3.5Å; A133-S138 PolarHBondContact O-N 2.78Å; A133-L141 HydrophobicContact CB-CB 3.87Å; A133-L141 HydrophobicContact CB-CD1 3.6Å; A133-L141 HydrophobicContact CB-CG 4.33Å; A133-L199 HydrophobicContact CB-CD1 4.01Å |
| 134 | M | 87.1 | Confident | 89.5 | Confident | 38 Ų | 38 | 34.9 Ų | 34.9 | 19% | 0.187 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 175.2 | -171.9 | -166.3 | 90.7 | 0 | 0 | 110.7 | M130 V131 K137 F405 N407 | M130-M134 WeakPolarHBondContact O-CB 3.22Å; M130-M134 PolarHBondContact O-N 3.11Å; V131-M134 WeakPolarHBondContact O-CB 3.38Å; V131-M134 PolarHBondContact O-N 3.21Å; M134-K137 PolarHBondContact O-N 3.48Å; M134-F405 HydrophobicContact CE-CZ 4.2Å; M134-N407 WeakPolarHBondContact CE-OD1 3.36Å; M134-N407 HydrophobicContact SD-CB 4.35Å; M134-N407 VanDerWaalsContact SD-CG 3.52Å; M134-N407 PolarHBondContact SD-ND2 3.35Å; M134-N407 VanDerWaalsContact SD-ND2 3.37Å |
| 135 | V | 80.9 | Confident | 90 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 10% | 0.097 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -75.2 | -39.5 | -176.8 | -178.1 | 0 | 0 | 0 | 0 | 112.7 | V131 K132 A133 K137 Y419 | V131-V135 VanDerWaalsContact O-CG2 3.28Å; V131-V135 WeakPolarHBondContact O-CG2 3.41Å; V131-V135 PolarHBondContact O-N 2.94Å; K132-V135 PolarHBondContact O-N 3.38Å; A133-V135 VanDerWaalsContact C-N 3.28Å; A133-V135 PolarHBondContact O-N 2.91Å; V135-K137 PolarHBondContact O-N 2.84Å; V135-Y419 HydrophobicContact CB-CD2 3.92Å; V135-Y419 HydrophobicContact CB-CE2 4.21Å; V135-Y419 HydrophobicContact CB-CG 4.14Å; V135-Y419 HydrophobicContact CG1-CD1 4.04Å; V135-Y419 HydrophobicContact CG1-CD2 3.22Å; V135-Y419 HydrophobicContact CG1-CE2 3.99Å; V135-Y419 HydrophobicContact CG1-CG 3.2Å; V135-Y419 HydrophobicContact CG2-CD2 4.07Å; V135-Y419 HydrophobicContact CG2-CE2 4.16Å |
| 136 | S | 84.8 | Confident | 90.3 | Very high | 68 Ų | 68 | 33.1 Ų | 33.1 | 48% | 0.476 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.8 | -7.2 | 170.6 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | K132 A133 S138 | K132-S136 WeakPolarHBondContact O-CB 3.37Å; K132-S136 PolarHBondContact O-N 3.21Å; K132-S136 PolarHBondContact O-OG 2.93Å; A133-S136 PolarHBondContact O-OG 3.36Å; S136-S138 PolarHBondContact O-N 3.23Å |
| 137 | K | 87 | Confident | 90.5 | Very high | 165 Ų | 165 | 33 Ų | 33 | 72% | 0.717 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 40.1 | -174.7 | -57.6 | 178.3 | -179.4 | 177.5 | 0 | 111.8 | A133 M134 V135 L139 | A133-K137 WeakPolarHBondContact O-CA 3.49Å; A133-K137 PolarHBondContact O-N 3.5Å; M134-K137 PolarHBondContact O-N 3.48Å; V135-K137 PolarHBondContact O-N 2.84Å; K137-L139 PolarHBondContact O-N 3.39Å |
| 138 | S | 91 | Very high | 90.7 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 11% | 0.105 | 16% | 0.16 | C | C | . | . | trans | -57.9 | 130.7 | 176 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | A133 S136 W140 | A133-S138 PolarHBondContact O-N 2.78Å; S136-S138 PolarHBondContact O-N 3.23Å; S138-W140 VanDerWaalsContact C-N 3.32Å; S138-W140 PolarHBondContact OG-N 2.99Å | ||
| 139 | L | 93.1 | Very high | 91 | Very high | 86 Ų | 86 | 30.6 Ų | 30.6 | 45% | 0.45 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -84.7 | -15 | 175.5 | -60.8 | 172.9 | 0 | 0 | 0 | 111.7 | K137 H356 | K137-L139 PolarHBondContact O-N 3.39Å; L139-H356 VanDerWaalsContact CD1-CD2 3.48Å; L139-H356 WeakPolarHBondContact CD1-CD2 3.28Å |
| 140 | W | 96 | Very high | 91.1 | Very high | 32 Ų | 32 | 33 Ų | 33 | 12% | 0.121 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -99.5 | -9 | -167.1 | -55.2 | 108 | 0 | 0 | 0 | 114.9 | S138 E188 L191 A192 V220 L221 I355 H356 | S138-W140 VanDerWaalsContact C-N 3.32Å; S138-W140 PolarHBondContact OG-N 2.99Å; W140-E188 HydrophobicContact CH2-CG 4.3Å; W140-E188 HydrophobicContact CZ3-CB 3.82Å; W140-E188 HydrophobicContact CZ3-CG 3.92Å; W140-L191 HydrophobicContact CD2-CB 4.16Å; W140-L191 HydrophobicContact CE3-CB 4.48Å; W140-L191 HydrophobicContact CH2-CB 4.19Å; W140-L191 HydrophobicContact CH2-CD1 3.71Å; W140-L191 HydrophobicContact CZ2-CB 3.83Å; W140-L191 HydrophobicContact CZ2-CD1 3.49Å; W140-L191 VanDerWaalsContact CZ2-CD1 3.49Å; W140-L191 HydrophobicContact CZ2-CG 4.3Å; W140-L191 HydrophobicContact CZ3-CB 4.5Å; W140-A192 HydrophobicContact CB-CB 3.7Å; W140-A192 HydrophobicContact CE3-CB 4.32Å; W140-A192 HydrophobicContact CG-CB 4.32Å; W140-V220 CarbonylContact O-C 3.58Å; W140-V220 WeakPolarHBondContact O-CA 3.45Å; W140-L221 PolarHBondContact O-N 3.25Å; W140-I355 HydrophobicContact CH2-CG2 3.86Å; W140-I355 HydrophobicContact CZ2-CG2 4.35Å; W140-H356 HydrophobicContact CH2-CB 4.26Å |
| 141 | L | 96.3 | Very high | 91 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -118.7 | 144.5 | -174.5 | -57.1 | 179.6 | 0 | 0 | 0 | 109.7 | A133 K143 L196 L199 L221 F224 | A133-L141 HydrophobicContact CB-CB 3.87Å; A133-L141 HydrophobicContact CB-CD1 3.6Å; A133-L141 HydrophobicContact CB-CG 4.33Å; L141-K143 PolarHBondContact O-N 2.71Å; L141-L196 HydrophobicContact CD1-CD1 4.46Å; L141-L196 HydrophobicContact CD2-CB 4.26Å; L141-L199 HydrophobicContact CD1-CD1 3.63Å; L141-L221 HydrophobicContact CD2-CB 3.97Å; L141-L221 HydrophobicContact CD2-CD1 4.25Å; L141-F224 HydrophobicContact CB-CZ 3.94Å; L141-F224 HydrophobicContact CD2-CE1 3.95Å; L141-F224 HydrophobicContact CD2-CZ 3.95Å; L141-F224 HydrophobicContact CG-CZ 4.41Å |
| 142 | A | 94.6 | Very high | 91 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 131.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y161 L221 A222 F224 | A142-Y161 WeakPolarHBondContact CA-OH 3.49Å; A142-Y161 HydrophobicContact CB-CE2 4.01Å; A142-L221 WeakPolarHBondContact CB-O 3.31Å; A142-L221 PolarHBondContact N-O 2.8Å; A142-A222 HydrophobicContact CB-CB 4.09Å; A142-F224 HydrophobicContact CB-CE2 4.22Å |
| 143 | K | 93.6 | Very high | 91.2 | Very high | 84 Ų | 84 | 41.6 Ų | 41.6 | 37% | 0.365 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -86.2 | 124.5 | -174.2 | -70.4 | 174.4 | -178.8 | 168.2 | 0 | 111.4 | L141 M158 D159 Y161 | L141-K143 PolarHBondContact O-N 2.71Å; K143-M158 CarbonylContact O-C 3.55Å; K143-M158 VanDerWaalsContact O-CA 3.27Å; K143-M158 WeakPolarHBondContact O-CA 3.28Å; K143-M158 WeakPolarHBondContact O-CB 3.42Å; K143-D159 HydrophobicContact CB-CB 4.27Å; K143-D159 WeakPolarHBondContact CB-OD2 3.25Å; K143-D159 VanDerWaalsContact CD-OD2 3.28Å; K143-D159 WeakPolarHBondContact CD-OD2 3.45Å; K143-D159 PolarHBondContact O-N 2.87Å; K143-Y161 PolarHBondContact N-OH 3.22Å |
| 144 | L | 93.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 134.3 | 174.6 | 178.2 | 70.3 | 0 | 0 | 0 | 111.3 | M130 V131 T147 F156 M158 F405 | M130-L144 HydrophobicContact CB-CB 3.65Å; M130-L144 HydrophobicContact CB-CD2 3.84Å; M130-L144 HydrophobicContact CB-CG 4.33Å; M130-L144 HydrophobicContact CE-CD1 4.35Å; M130-L144 HydrophobicContact CG-CB 4.35Å; M130-L144 HydrophobicContact SD-CB 4.02Å; M130-L144 HydrophobicContact SD-CD1 4.25Å; V131-L144 HydrophobicContact CG2-CD2 3.91Å; L144-T147 HydrophobicContact CD1-CG2 3.71Å; L144-T147 HydrophobicContact CD2-CG2 3.93Å; L144-T147 HydrophobicContact CG-CG2 4.34Å; L144-F156 HydrophobicContact CD1-CB 4.3Å; L144-F156 HydrophobicContact CD1-CD1 3.93Å; L144-M158 HydrophobicContact CD1-CG 4.26Å; L144-F405 HydrophobicContact CD2-CD1 4.16Å; L144-F405 HydrophobicContact CD2-CE1 4.42Å |
| 145 | H | 92.1 | Very high | 91.8 | Very high | 44 Ų | 44 | 39.9 Ų | 39.9 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -57.2 | 171.5 | -69.5 | -93.6 | 0 | 0 | 0 | 111.1 | Y104 L157 D159 N407 | Y104-H145 AromaticContact CD1-CD2 3.87Å; Y104-H145 AromaticContact CD1-NE2 3.94Å; Y104-H145 AromaticContact CE1-CD2 3.85Å; Y104-H145 AromaticContact CE1-CE1 3.68Å; Y104-H145 AromaticContact CE1-CG 3.98Å; Y104-H145 AromaticContact CE1-ND1 3.9Å; Y104-H145 AromaticContact CE1-NE2 3.63Å; H145-L157 HydrophobicContact CB-CD2 4.15Å; H145-L157 HydrophobicContact CB-CG 4.35Å; H145-L157 WeakPolarHBondContact CB-O 3.4Å; H145-L157 PolarHBondContact N-O 3.24Å; H145-D159 IonicContact CD2-OD1 3.71Å; H145-D159 IonicContact CE1-OD1 2.69Å; H145-D159 IonicContact NE2-OD1 3.59Å; H145-D159 PolarHBondContact NE2-OD1 2.92Å; H145-N407 WeakPolarHBondContact O-CB 3.45Å |
| 146 | H | 92.3 | Very high | 92.5 | Very high | 23 Ų | 23 | 39.1 Ų | 39.1 | 11% | 0.106 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 149.2 | -174.4 | -60.8 | -62.6 | 0 | 0 | 0 | 110.4 | I73 W97 L157 F405 N407 | I73-H146 HydrophobicContact CD1-CB 3.77Å; W97-H146 AromaticContact CH2-CD2 3.98Å; W97-H146 AromaticContact CH2-NE2 3.88Å; H146-L157 HydrophobicContact CB-CB 4.33Å; H146-L157 HydrophobicContact CB-CD2 4.43Å; H146-L157 PolarHBondContact N-O 3.18Å; H146-L157 WeakPolarHBondContact O-CB 3.48Å; H146-L157 PolarHBondContact O-N 3.4Å; H146-F405 CarbonylContact C-O 3.59Å; H146-F405 WeakPolarHBondContact CA-O 3.44Å; H146-N407 PolarHBondContact ND1-N 3.38Å |
| 147 | T | 93.6 | Very high | 93 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.6 | 162.2 | 63 | 0 | 0 | 0 | 0 | 110 | R127 L144 Y155 F156 F403 T404 F405 | R127-T147 HydrophobicContact CG-CG2 4.15Å; L144-T147 HydrophobicContact CD1-CG2 3.71Å; L144-T147 HydrophobicContact CD2-CG2 3.93Å; L144-T147 HydrophobicContact CG-CG2 4.34Å; T147-Y155 WeakPolarHBondContact CA-O 3.23Å; T147-Y155 WeakPolarHBondContact CB-O 3.29Å; T147-F156 HydrophobicContact CG2-CD1 3.28Å; T147-F156 HydrophobicContact CG2-CE1 3.65Å; T147-F156 HydrophobicContact CG2-CG 4.09Å; T147-F403 HydrophobicContact CG2-CZ 4.26Å; T147-F403 PolarHBondContact OG1-O 3.2Å; T147-T404 WeakPolarHBondContact O-CA 3.5Å; T147-F405 PolarHBondContact N-O 3.29Å; T147-F405 PolarHBondContact O-N 3.15Å; T147-F405 WeakPolarHBondContact OG1-CB 3.42Å; T147-F405 PolarHBondContact OG1-N 3.49Å |
| 148 | F | 94.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 163.5 | -178.7 | 60.6 | -85.7 | 0 | 0 | 0 | 110 | I73 F78 L106 Y155 F403 | I73-F148 HydrophobicContact CB-CB 4.3Å; I73-F148 HydrophobicContact CB-CD1 4.01Å; I73-F148 HydrophobicContact CB-CD2 4.47Å; I73-F148 HydrophobicContact CB-CE1 4.47Å; I73-F148 HydrophobicContact CB-CG 4.02Å; I73-F148 HydrophobicContact CG2-CD1 3.67Å; I73-F148 HydrophobicContact CG2-CD2 4.28Å; I73-F148 HydrophobicContact CG2-CE1 3.63Å; I73-F148 HydrophobicContact CG2-CE2 4.24Å; I73-F148 HydrophobicContact CG2-CG 4.01Å; I73-F148 HydrophobicContact CG2-CZ 3.92Å; I73-F148 WeakPolarHBondContact O-CD2 3.27Å; F78-F148 HydrophobicContact CD2-CZ 4.24Å; F78-F148 AromaticContact CE2-CE1 3.93Å; F78-F148 HydrophobicContact CE2-CE1 3.93Å; F78-F148 HydrophobicContact CE2-CE2 4.47Å; F78-F148 AromaticContact CE2-CZ 3.56Å; F78-F148 HydrophobicContact CE2-CZ 3.56Å; F78-F148 HydrophobicContact CZ-CE1 4.2Å; F78-F148 HydrophobicContact CZ-CZ 4.27Å; L106-F148 HydrophobicContact CD1-CE1 3.99Å; L106-F148 HydrophobicContact CD1-CZ 3.82Å; F148-Y155 AromaticContact CD2-CD2 3.48Å; F148-Y155 HydrophobicContact CD2-CD2 3.48Å; F148-Y155 VanDerWaalsContact CD2-CD2 3.48Å; F148-Y155 HydrophobicContact CD2-CE2 4.36Å; F148-Y155 AromaticContact CD2-CG 3.96Å; F148-Y155 HydrophobicContact CD2-CG 3.96Å; F148-Y155 HydrophobicContact CE1-CG 4.44Å; F148-Y155 HydrophobicContact CE2-CD1 4.35Å; F148-Y155 AromaticContact CE2-CD2 3.24Å; F148-Y155 HydrophobicContact CE2-CD2 3.24Å; F148-Y155 AromaticContact CE2-CE2 3.98Å; F148-Y155 HydrophobicContact CE2-CE2 3.98Å; F148-Y155 AromaticContact CE2-CG 3.45Å; F148-Y155 HydrophobicContact CE2-CG 3.45Å; F148-Y155 VanDerWaalsContact CE2-CG 3.45Å; F148-Y155 HydrophobicContact CG-CD2 4.41Å; F148-Y155 VanDerWaalsContact CZ-CB 3.47Å; F148-Y155 HydrophobicContact CZ-CD1 4.44Å; F148-Y155 HydrophobicContact CZ-CD2 4.03Å; F148-Y155 AromaticContact CZ-CG 3.73Å; F148-Y155 HydrophobicContact CZ-CG 3.73Å; F148-Y155 PolarHBondContact N-O 3.3Å; F148-Y155 VanDerWaalsContact N-O 3.1Å; F148-Y155 WeakPolarHBondContact O-CA 3.4Å; F148-Y155 WeakPolarHBondContact O-CB 3.48Å; F148-Y155 PolarHBondContact O-N 3.22Å; F148-F403 VanDerWaalsContact O-CE1 3.28Å; F148-F403 WeakPolarHBondContact O-CE1 3.49Å |
| 149 | Q | 93.7 | Very high | 93.6 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 155 | -175.2 | 58.5 | 179 | -49.1 | 0 | 0 | 112.2 | D34 F153 L154 C400 F403 | D34-Q149 PolarHBondContact OD1-NE2 3.47Å; D34-Q149 VanDerWaalsContact OD1-NE2 3.15Å; D34-Q149 PolarHBondContact OD2-NE2 3.4Å; D34-Q149 VanDerWaalsContact OD2-NE2 3.09Å; Q149-F153 WeakPolarHBondContact CA-O 3.48Å; Q149-L154 HydrophobicContact CB-CD2 3.63Å; Q149-C400 PolarHBondContact NE2-O 2.91Å; Q149-F403 HydrophobicContact CB-CD1 4.1Å |
| 150 | D | 92.2 | Very high | 93.7 | Very high | 52 Ų | 52 | 27.3 Ų | 27.3 | 28% | 0.278 | 13% | 0.126 | S | C | . | . | trans | -123.8 | -167.7 | 167.5 | 72.4 | 22.3 | 0 | 0 | 0 | 110.8 | K111 K152 F153 Y155 | K111-D150 VanDerWaalsContact CE-O 3.25Å; K111-D150 WeakPolarHBondContact CE-O 3.41Å; K111-D150 PolarHBondContact NZ-O 3.43Å; D150-K152 PolarHBondContact O-N 2.86Å; D150-K152 WeakPolarHBondContact OD1-CA 3.35Å; D150-K152 PolarHBondContact OD1-N 2.86Å; D150-F153 PolarHBondContact N-O 2.82Å; D150-F153 PolarHBondContact OD1-N 3.35Å; D150-Y155 HydrophobicContact CB-CE2 4.44Å; D150-Y155 PolarHBondContact OD2-OH 3.21Å | ||
| 151 | E | 89.5 | Confident | 93.6 | Very high | 75 Ų | 75 | 26.5 Ų | 26.5 | 35% | 0.35 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -60.5 | -27.9 | -179 | -170.8 | 172.6 | 159.8 | 0 | 0 | 113.3 | Y41 K44 Q397 | Y41-E151 HydrophobicContact CD1-CB 4.19Å; Y41-E151 HydrophobicContact CD1-CG 4.04Å; Y41-E151 HydrophobicContact CD2-CB 4.46Å; Y41-E151 HydrophobicContact CE1-CB 4Å; Y41-E151 HydrophobicContact CE1-CG 4.34Å; Y41-E151 HydrophobicContact CE2-CB 4.26Å; Y41-E151 HydrophobicContact CG-CB 4.43Å; Y41-E151 HydrophobicContact CG-CG 4.19Å; K44-E151 IonicContact NZ-OE2 3.88Å; E151-Q397 PolarHBondContact O-NE2 3.16Å |
| 152 | K | 89 | Confident | 93.4 | Very high | 119 Ų | 119 | 27.4 Ų | 27.4 | 52% | 0.517 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -116.8 | -29.3 | -170 | -65 | -177.5 | -178.8 | -177.6 | 0 | 114.3 | H110 K111 D150 | H110-K152 PolarHBondContact CD2-O 3.41Å; K111-K152 WeakPolarHBondContact CB-O 3.12Å; K111-K152 WeakPolarHBondContact CG-O 3.23Å; K111-K152 PolarHBondContact N-O 3.32Å; D150-K152 PolarHBondContact O-N 2.86Å; D150-K152 WeakPolarHBondContact OD1-CA 3.35Å; D150-K152 PolarHBondContact OD1-N 2.86Å |
| 153 | F | 92.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 27.5 Ų | 27.5 | 15% | 0.154 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 152.4 | -169.3 | -65.6 | -88.7 | 0 | 0 | 0 | 112.8 | L109 H110 Q149 D150 Y155 H384 | L109-F153 CarbonylContact O-C 3.5Å; L109-F153 WeakPolarHBondContact O-CA 3.47Å; H110-F153 HydrophobicContact CB-CD1 4.04Å; H110-F153 HydrophobicContact CB-CE1 3.8Å; H110-F153 AromaticContact CD2-CE1 3.6Å; H110-F153 AromaticContact CD2-CZ 3.6Å; Q149-F153 WeakPolarHBondContact CA-O 3.48Å; D150-F153 PolarHBondContact N-O 2.82Å; D150-F153 PolarHBondContact OD1-N 3.35Å; F153-Y155 HydrophobicContact CB-CD2 4.46Å; F153-Y155 HydrophobicContact CB-CE1 3.91Å; F153-Y155 HydrophobicContact CB-CE2 3.72Å; F153-Y155 VanDerWaalsContact CB-OH 3.31Å; F153-Y155 WeakPolarHBondContact CB-OH 3.34Å; F153-Y155 HydrophobicContact CG-CE1 4.48Å; F153-H384 AromaticContact CE1-NE2 3.94Å |
| 154 | L | 93.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 141.4 | 163.8 | -56.6 | -179.3 | 0 | 0 | 0 | 108.5 | S108 L109 K111 M114 F123 Q149 C400 F403 | S108-L154 CarbonylContact C-O 3.53Å; S108-L154 WeakPolarHBondContact CA-O 3.49Å; L109-L154 HydrophobicContact CB-CB 4.26Å; L109-L154 PolarHBondContact N-O 3.3Å; L109-L154 PolarHBondContact O-N 2.84Å; K111-L154 HydrophobicContact CD-CD2 4.38Å; K111-L154 HydrophobicContact CG-CD2 4.14Å; K111-L154 HydrophobicContact CG-CG 4Å; M114-L154 HydrophobicContact SD-CD1 4.29Å; F123-L154 HydrophobicContact CB-CD1 4.38Å; F123-L154 HydrophobicContact CD1-CD1 4.07Å; F123-L154 HydrophobicContact CD2-CD1 3.96Å; F123-L154 HydrophobicContact CE1-CD1 4.34Å; F123-L154 HydrophobicContact CE2-CD1 4.23Å; F123-L154 HydrophobicContact CG-CD1 3.86Å; F123-L154 HydrophobicContact CZ-CD1 4.41Å; Q149-L154 HydrophobicContact CB-CD2 3.63Å; L154-C400 HydrophobicContact CD2-CB 4.1Å; L154-F403 HydrophobicContact CB-CD1 4.18Å; L154-F403 HydrophobicContact CB-CD2 4.48Å; L154-F403 HydrophobicContact CB-CE1 3.69Å; L154-F403 HydrophobicContact CB-CE2 4.01Å; L154-F403 HydrophobicContact CB-CZ 3.6Å; L154-F403 HydrophobicContact CD1-CD2 4Å; L154-F403 HydrophobicContact CD1-CE2 4.05Å; L154-F403 HydrophobicContact CD1-CG 4.34Å; L154-F403 HydrophobicContact CD1-CZ 4.49Å; L154-F403 HydrophobicContact CD2-CB 4.33Å; L154-F403 HydrophobicContact CD2-CD1 3.73Å; L154-F403 HydrophobicContact CD2-CD2 4.31Å; L154-F403 HydrophobicContact CD2-CE1 4.13Å; L154-F403 HydrophobicContact CD2-CG 3.83Å; L154-F403 HydrophobicContact CG-CD1 4.43Å; L154-F403 HydrophobicContact CG-CE1 4.41Å; L154-F403 HydrophobicContact CG-CE2 4.46Å; L154-F403 HydrophobicContact CG-CG 4.47Å; L154-F403 HydrophobicContact CG-CZ 4.44Å |
| 155 | Y | 95.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.5 | -175.7 | -60.9 | -74 | 0 | 0 | 0 | 111.9 | K75 L106 K107 S108 T147 F148 D150 F153 F403 | K75-Y155 HydrophobicContact CB-CE1 4.42Å; K75-Y155 HydrophobicContact CB-CE2 4.38Å; K75-Y155 HydrophobicContact CD-CE1 3.78Å; K75-Y155 VanDerWaalsContact CD-OH 3.29Å; K75-Y155 WeakPolarHBondContact CD-OH 3.14Å; K75-Y155 HydrophobicContact CG-CE1 4.46Å; L106-Y155 HydrophobicContact CD1-CD1 4.25Å; L106-Y155 HydrophobicContact CD2-CD1 4.21Å; L106-Y155 HydrophobicContact CG-CD1 4.23Å; K107-Y155 CarbonylContact O-C 3.59Å; K107-Y155 VanDerWaalsContact O-CA 3.31Å; K107-Y155 WeakPolarHBondContact O-CA 3.31Å; S108-Y155 WeakPolarHBondContact OG-CD1 3.5Å; S108-Y155 WeakPolarHBondContact OG-CE1 3.4Å; T147-Y155 WeakPolarHBondContact CA-O 3.23Å; T147-Y155 WeakPolarHBondContact CB-O 3.29Å; F148-Y155 AromaticContact CD2-CD2 3.48Å; F148-Y155 HydrophobicContact CD2-CD2 3.48Å; F148-Y155 VanDerWaalsContact CD2-CD2 3.48Å; F148-Y155 HydrophobicContact CD2-CE2 4.36Å; F148-Y155 AromaticContact CD2-CG 3.96Å; F148-Y155 HydrophobicContact CD2-CG 3.96Å; F148-Y155 HydrophobicContact CE1-CG 4.44Å; F148-Y155 HydrophobicContact CE2-CD1 4.35Å; F148-Y155 AromaticContact CE2-CD2 3.24Å; F148-Y155 HydrophobicContact CE2-CD2 3.24Å; F148-Y155 AromaticContact CE2-CE2 3.98Å; F148-Y155 HydrophobicContact CE2-CE2 3.98Å; F148-Y155 AromaticContact CE2-CG 3.45Å; F148-Y155 HydrophobicContact CE2-CG 3.45Å; F148-Y155 VanDerWaalsContact CE2-CG 3.45Å; F148-Y155 HydrophobicContact CG-CD2 4.41Å; F148-Y155 VanDerWaalsContact CZ-CB 3.47Å; F148-Y155 HydrophobicContact CZ-CD1 4.44Å; F148-Y155 HydrophobicContact CZ-CD2 4.03Å; F148-Y155 AromaticContact CZ-CG 3.73Å; F148-Y155 HydrophobicContact CZ-CG 3.73Å; F148-Y155 PolarHBondContact N-O 3.3Å; F148-Y155 VanDerWaalsContact N-O 3.1Å; F148-Y155 WeakPolarHBondContact O-CA 3.4Å; F148-Y155 WeakPolarHBondContact O-CB 3.48Å; F148-Y155 PolarHBondContact O-N 3.22Å; D150-Y155 HydrophobicContact CB-CE2 4.44Å; D150-Y155 PolarHBondContact OD2-OH 3.21Å; F153-Y155 HydrophobicContact CB-CD2 4.46Å; F153-Y155 HydrophobicContact CB-CE1 3.91Å; F153-Y155 HydrophobicContact CB-CE2 3.72Å; F153-Y155 VanDerWaalsContact CB-OH 3.31Å; F153-Y155 WeakPolarHBondContact CB-OH 3.34Å; F153-Y155 HydrophobicContact CG-CE1 4.48Å; Y155-F403 WeakPolarHBondContact O-CE1 3.33Å |
| 156 | F | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.4 | 165.4 | -63.7 | -93.6 | 0 | 0 | 0 | 109.6 | L106 K107 L109 E126 R127 M130 L144 T147 M158 F403 | L106-F156 CarbonylContact C-O 3.45Å; L106-F156 WeakPolarHBondContact CA-O 3.43Å; K107-F156 HydrophobicContact CB-CB 4.16Å; K107-F156 HydrophobicContact CD-CD2 4.47Å; K107-F156 PolarHBondContact N-O 3.4Å; K107-F156 PolarHBondContact O-N 3.43Å; L109-F156 HydrophobicContact CD1-CD2 4.17Å; L109-F156 HydrophobicContact CD1-CE2 3.62Å; E126-F156 HydrophobicContact CB-CZ 4.28Å; E126-F156 HydrophobicContact CG-CE1 4.11Å; E126-F156 HydrophobicContact CG-CE2 4.34Å; E126-F156 HydrophobicContact CG-CZ 3.81Å; R127-F156 HydrophobicContact CB-CE1 3.81Å; R127-F156 HydrophobicContact CB-CZ 4.27Å; R127-F156 HydrophobicContact CG-CE1 4.31Å; M130-F156 HydrophobicContact CE-CD1 3.29Å; M130-F156 HydrophobicContact CE-CE1 3.4Å; M130-F156 HydrophobicContact CE-CG 4.14Å; M130-F156 HydrophobicContact CE-CZ 4.29Å; L144-F156 HydrophobicContact CD1-CB 4.3Å; L144-F156 HydrophobicContact CD1-CD1 3.93Å; T147-F156 HydrophobicContact CG2-CD1 3.28Å; T147-F156 HydrophobicContact CG2-CE1 3.65Å; T147-F156 HydrophobicContact CG2-CG 4.09Å; F156-M158 HydrophobicContact CB-CG 4.11Å; F156-M158 HydrophobicContact CB-SD 4.23Å; F156-F403 HydrophobicContact CD1-CZ 4.41Å; F156-F403 HydrophobicContact CD2-CE2 4.42Å; F156-F403 AromaticContact CD2-CZ 3.98Å; F156-F403 HydrophobicContact CD2-CZ 3.98Å; F156-F403 AromaticContact CE1-CE2 3.99Å; F156-F403 HydrophobicContact CE1-CE2 3.99Å; F156-F403 HydrophobicContact CE1-CZ 4.11Å; F156-F403 AromaticContact CE2-CE2 3.64Å; F156-F403 HydrophobicContact CE2-CE2 3.64Å; F156-F403 AromaticContact CE2-CZ 3.65Å; F156-F403 HydrophobicContact CE2-CZ 3.65Å; F156-F403 HydrophobicContact CG-CZ 4.37Å; F156-F403 AromaticContact CZ-CE2 3.4Å; F156-F403 HydrophobicContact CZ-CE2 3.4Å; F156-F403 AromaticContact CZ-CZ 3.74Å; F156-F403 HydrophobicContact CZ-CZ 3.74Å |
| 157 | L | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116 | 171.7 | -172.9 | 74.1 | 0 | 0 | 0 | 109.2 | F78 V95 W97 Y104 L106 H145 H146 | F78-L157 HydrophobicContact CD1-CD1 4.15Å; F78-L157 HydrophobicContact CE1-CD1 3.44Å; F78-L157 VanDerWaalsContact CE1-CD1 3.44Å; F78-L157 HydrophobicContact CE1-CD2 3.9Å; F78-L157 HydrophobicContact CE1-CG 4.31Å; F78-L157 HydrophobicContact CZ-CD1 3.92Å; F78-L157 HydrophobicContact CZ-CD2 3.94Å; F78-L157 HydrophobicContact CZ-CG 4.49Å; V95-L157 HydrophobicContact CG2-CD1 4.12Å; W97-L157 HydrophobicContact CE3-CD2 4.42Å; Y104-L157 HydrophobicContact CD1-CG 4.38Å; Y104-L157 HydrophobicContact CD2-CD1 4.46Å; Y104-L157 HydrophobicContact CG-CD1 3.97Å; Y104-L157 HydrophobicContact CG-CG 4.24Å; L106-L157 HydrophobicContact CD1-CB 4.44Å; L106-L157 HydrophobicContact CD1-CD1 4.12Å; H145-L157 HydrophobicContact CB-CD2 4.15Å; H145-L157 HydrophobicContact CB-CG 4.35Å; H145-L157 WeakPolarHBondContact CB-O 3.4Å; H145-L157 PolarHBondContact N-O 3.24Å; H146-L157 HydrophobicContact CB-CB 4.33Å; H146-L157 HydrophobicContact CB-CD2 4.43Å; H146-L157 PolarHBondContact N-O 3.18Å; H146-L157 WeakPolarHBondContact O-CB 3.48Å; H146-L157 PolarHBondContact O-N 3.4Å |
| 158 | M | 95.4 | Very high | 92.9 | Very high | 18 Ų | 18 | 24 Ų | 24 | 9% | 0.089 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 165.3 | -170.4 | -47.4 | -178.3 | -36.9 | 0 | 0 | 111.1 | Y104 A105 M130 K143 L144 F156 F160 | Y104-M158 WeakPolarHBondContact CB-O 3.34Å; A105-M158 HydrophobicContact CB-CE 4.4Å; A105-M158 PolarHBondContact N-O 3.34Å; A105-M158 PolarHBondContact O-N 3.23Å; M130-M158 HydrophobicContact CE-SD 4.49Å; M130-M158 HydrophobicContact SD-CG 4.45Å; M130-M158 HydrophobicContact SD-SD 3.82Å; K143-M158 CarbonylContact O-C 3.55Å; K143-M158 VanDerWaalsContact O-CA 3.27Å; K143-M158 WeakPolarHBondContact O-CA 3.28Å; K143-M158 WeakPolarHBondContact O-CB 3.42Å; L144-M158 HydrophobicContact CD1-CG 4.26Å; F156-M158 HydrophobicContact CB-CG 4.11Å; F156-M158 HydrophobicContact CB-SD 4.23Å; M158-F160 PolarHBondContact O-N 2.89Å |
| 159 | D | 95.2 | Very high | 92.5 | Very high | 46 Ų | 46 | 24 Ų | 24 | 25% | 0.246 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 136.7 | 166.9 | -86.5 | -13 | 0 | 0 | 0 | 110.4 | K143 H145 Y161 | K143-D159 HydrophobicContact CB-CB 4.27Å; K143-D159 WeakPolarHBondContact CB-OD2 3.25Å; K143-D159 VanDerWaalsContact CD-OD2 3.28Å; K143-D159 WeakPolarHBondContact CD-OD2 3.45Å; K143-D159 PolarHBondContact O-N 2.87Å; H145-D159 IonicContact CD2-OD1 3.71Å; H145-D159 IonicContact CE1-OD1 2.69Å; H145-D159 IonicContact NE2-OD1 3.59Å; H145-D159 PolarHBondContact NE2-OD1 2.92Å; D159-Y161 HydrophobicContact CB-CE1 4.42Å; D159-Y161 HydrophobicContact CB-CE2 3.85Å; D159-Y161 WeakPolarHBondContact O-CD2 3.45Å; D159-Y161 WeakPolarHBondContact O-CE2 3.38Å |
| 160 | F | 95.1 | Very high | 92.2 | Very high | 23 Ų | 23 | 23.9 Ų | 23.9 | 10% | 0.101 | 12% | 0.117 | C | C | . | . | trans | -89.4 | 116.6 | 171.2 | 175.4 | -125.2 | 0 | 0 | 0 | 109.8 | I84 V94 I103 A105 M158 N162 P369 D371 T372 F375 | I84-F160 HydrophobicContact CD1-CD2 4.14Å; I84-F160 HydrophobicContact CD1-CE2 3.81Å; V94-F160 HydrophobicContact CG1-CD1 4.22Å; V94-F160 HydrophobicContact CG1-CE1 4.19Å; V94-F160 HydrophobicContact CG1-CG 4.42Å; V94-F160 HydrophobicContact CG1-CZ 4.41Å; V94-F160 HydrophobicContact CG2-CD2 3.77Å; V94-F160 HydrophobicContact CG2-CE1 4.23Å; V94-F160 HydrophobicContact CG2-CE2 3.38Å; V94-F160 HydrophobicContact CG2-CG 4.37Å; V94-F160 HydrophobicContact CG2-CZ 3.63Å; I103-F160 HydrophobicContact CG2-CB 4.2Å; I103-F160 HydrophobicContact CG2-CD1 3.61Å; I103-F160 HydrophobicContact CG2-CE1 4.36Å; I103-F160 HydrophobicContact CG2-CG 4.17Å; A105-F160 HydrophobicContact CB-CB 4.4Å; A105-F160 HydrophobicContact CB-CD2 4.49Å; M158-F160 PolarHBondContact O-N 2.89Å; F160-N162 HydrophobicContact CD1-CB 4.12Å; F160-N162 HydrophobicContact CE1-CB 3.6Å; F160-N162 HydrophobicContact CZ-CB 4.05Å; F160-N162 PolarHBondContact O-N 3Å; F160-P369 WeakPolarHBondContact CD1-O 3.32Å; F160-P369 WeakPolarHBondContact CE1-O 3.41Å; F160-D371 WeakPolarHBondContact CZ-O 3.24Å; F160-T372 HydrophobicContact CZ-CG2 4.32Å; F160-F375 HydrophobicContact CE2-CD2 4.33Å; F160-F375 AromaticContact CE2-CE2 3.5Å; F160-F375 HydrophobicContact CE2-CE2 3.5Å; F160-F375 VanDerWaalsContact CE2-CE2 3.5Å; F160-F375 AromaticContact CE2-CZ 3.95Å; F160-F375 HydrophobicContact CE2-CZ 3.95Å; F160-F375 HydrophobicContact CZ-CD2 4.43Å; F160-F375 AromaticContact CZ-CE2 3.79Å; F160-F375 HydrophobicContact CZ-CE2 3.79Å | ||
| 161 | Y | 94.5 | Very high | 91.9 | Very high | 14 Ų | 14 | 24.6 Ų | 24.6 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | trans | -93.5 | 89.5 | 179.3 | -62.9 | -81 | 0 | 0 | 0 | 109.8 | A142 K143 D159 G163 G164 L212 Q214 V220 F375 | A142-Y161 WeakPolarHBondContact CA-OH 3.49Å; A142-Y161 HydrophobicContact CB-CE2 4.01Å; K143-Y161 PolarHBondContact N-OH 3.22Å; D159-Y161 HydrophobicContact CB-CE1 4.42Å; D159-Y161 HydrophobicContact CB-CE2 3.85Å; D159-Y161 WeakPolarHBondContact O-CD2 3.45Å; D159-Y161 WeakPolarHBondContact O-CE2 3.38Å; Y161-G163 PolarHBondContact O-N 3.38Å; Y161-G164 PolarHBondContact O-N 2.86Å; Y161-L212 HydrophobicContact CD2-CB 4.49Å; Y161-L212 HydrophobicContact CD2-CD1 3.77Å; Y161-L212 HydrophobicContact CG-CB 4.29Å; Y161-L212 HydrophobicContact CG-CD1 4.29Å; Y161-Q214 HydrophobicContact CD1-CG 3.79Å; Y161-Q214 HydrophobicContact CE1-CG 3.98Å; Y161-V220 HydrophobicContact CD1-CG2 3.76Å; Y161-V220 HydrophobicContact CD2-CG2 4.06Å; Y161-V220 HydrophobicContact CE1-CB 4.39Å; Y161-V220 HydrophobicContact CE1-CG1 3.95Å; Y161-V220 HydrophobicContact CE1-CG2 3.6Å; Y161-V220 HydrophobicContact CE2-CG2 3.91Å; Y161-V220 HydrophobicContact CG-CG2 3.99Å; Y161-F375 WeakPolarHBondContact O-CE2 3.35Å; Y161-F375 WeakPolarHBondContact O-CZ 3.34Å | ||
| 162 | N | 92 | Very high | 91.6 | Very high | 20 Ų | 20 | 25.6 Ų | 25.6 | 11% | 0.107 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -1.3 | -174.3 | 59.5 | -3.8 | 0 | 0 | 0 | 115.6 | F160 G164 S215 V366 S368 N374 | F160-N162 HydrophobicContact CD1-CB 4.12Å; F160-N162 HydrophobicContact CE1-CB 3.6Å; F160-N162 HydrophobicContact CZ-CB 4.05Å; F160-N162 PolarHBondContact O-N 3Å; N162-G164 PolarHBondContact O-N 2.84Å; N162-S215 WeakPolarHBondContact OD1-CB 3.31Å; N162-V366 HydrophobicContact CB-CG1 4.27Å; N162-V366 WeakPolarHBondContact ND2-CG1 3.29Å; N162-S368 PolarHBondContact ND2-O 3.22Å; N162-N374 PolarHBondContact O-ND2 3.32Å; N162-N374 VanDerWaalsContact O-ND2 3.13Å |
| 163 | G | 91.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -11.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y161 L213 N374 | Y161-G163 PolarHBondContact O-N 3.38Å; G163-L213 WeakPolarHBondContact CA-O 3.24Å; G163-L213 PolarHBondContact N-O 3.39Å; G163-N374 WeakPolarHBondContact O-CB 3.46Å |
| 164 | G | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | 91.5 | -165.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y161 N162 L212 L213 N374 | Y161-G164 PolarHBondContact O-N 2.86Å; N162-G164 PolarHBondContact O-N 2.84Å; G164-L212 CarbonylContact O-C 3.49Å; G164-L212 WeakPolarHBondContact O-CA 3.16Å; G164-L213 PolarHBondContact O-N 3.39Å; G164-N374 WeakPolarHBondContact CA-O 3.37Å | ||
| 165 | D | 92.3 | Very high | 89.8 | Confident | 22 Ų | 22 | 32.1 Ų | 32.1 | 12% | 0.118 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -103.3 | 163 | 170.6 | 51.5 | 58.4 | 0 | 0 | 0 | 111.6 | L167 T168 M169 V211 L212 | D165-L167 PolarHBondContact O-N 2.76Å; D165-L167 WeakPolarHBondContact OD1-CB 3.29Å; D165-L167 PolarHBondContact OD1-N 3.03Å; D165-T168 PolarHBondContact O-N 2.72Å; D165-T168 VanDerWaalsContact OD1-CB 3.3Å; D165-T168 WeakPolarHBondContact OD1-CB 3.42Å; D165-T168 PolarHBondContact OD1-N 3.47Å; D165-T168 PolarHBondContact OD1-OG1 2.93Å; D165-M169 PolarHBondContact O-N 2.93Å; D165-V211 CarbonylContact C-O 3.55Å; D165-V211 WeakPolarHBondContact CA-O 3.43Å; D165-L212 HydrophobicContact CB-CD2 3.88Å |
| 166 | M | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.1 | -25 | 179.1 | -178.2 | 175.9 | -78 | 0 | 0 | 111.9 | M169 L170 Y185 M189 P208 V211 I219 V275 M279 | M166-M169 WeakPolarHBondContact O-CB 3.4Å; M166-M169 PolarHBondContact O-N 3.47Å; M166-L170 WeakPolarHBondContact O-CG 3.38Å; M166-L170 PolarHBondContact O-N 3.47Å; M166-Y185 HydrophobicContact CE-CD1 4.09Å; M166-Y185 HydrophobicContact CE-CG 4.05Å; M166-M189 HydrophobicContact CE-SD 4.12Å; M166-M189 HydrophobicContact SD-SD 4.05Å; M166-P208 HydrophobicContact CB-CB 4.12Å; M166-P208 WeakPolarHBondContact CB-O 3.44Å; M166-P208 HydrophobicContact CG-CB 4.2Å; M166-P208 PolarHBondContact N-O 2.96Å; M166-V211 HydrophobicContact CB-CB 3.92Å; M166-V211 HydrophobicContact CB-CG1 4.22Å; M166-V211 HydrophobicContact CE-CB 4.35Å; M166-V211 HydrophobicContact CE-CG1 3.63Å; M166-V211 PolarHBondContact N-O 2.95Å; M166-V211 HydrophobicContact SD-CB 4.34Å; M166-V211 HydrophobicContact SD-CG1 4.25Å; M166-I219 HydrophobicContact CE-CG2 4.04Å; M166-V275 HydrophobicContact SD-CG1 4.39Å; M166-M279 HydrophobicContact CE-CE 4.46Å; M166-M279 HydrophobicContact SD-CE 4.18Å; M166-M279 HydrophobicContact SD-SD 4.28Å |
| 167 | L | 90.3 | Very high | 88.9 | Confident | 47 Ų | 47 | 37.2 Ų | 37.2 | 25% | 0.246 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 173.6 | -175.7 | 64.6 | 0 | 0 | 0 | 111.1 | D165 M169 L170 S171 P208 D209 | D165-L167 PolarHBondContact O-N 2.76Å; D165-L167 WeakPolarHBondContact OD1-CB 3.29Å; D165-L167 PolarHBondContact OD1-N 3.03Å; L167-M169 PolarHBondContact O-N 3.32Å; L167-L170 WeakPolarHBondContact O-CB 3.38Å; L167-L170 PolarHBondContact O-N 3.31Å; L167-L170 VanDerWaalsContact O-N 3.11Å; L167-S171 PolarHBondContact O-N 2.86Å; L167-S171 PolarHBondContact O-OG 2.68Å; L167-P208 HydrophobicContact CB-CB 3.97Å; L167-P208 HydrophobicContact CD1-CB 4.4Å; L167-P208 PolarHBondContact N-O 2.96Å; L167-D209 VanDerWaalsContact CD2-OD1 3.25Å; L167-D209 WeakPolarHBondContact CD2-OD1 3.47Å |
| 168 | T | 88.1 | Confident | 88.6 | Confident | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.08 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -33.6 | 175.8 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | D165 K172 N374 | D165-T168 PolarHBondContact O-N 2.72Å; D165-T168 VanDerWaalsContact OD1-CB 3.3Å; D165-T168 WeakPolarHBondContact OD1-CB 3.42Å; D165-T168 PolarHBondContact OD1-N 3.47Å; D165-T168 PolarHBondContact OD1-OG1 2.93Å; T168-K172 WeakPolarHBondContact O-CG 3.25Å; T168-K172 PolarHBondContact O-N 2.74Å; T168-N374 WeakPolarHBondContact CG2-O 3.47Å; T168-N374 PolarHBondContact OG1-O 2.76Å |
| 169 | M | 87.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.3 | -46.1 | 171.4 | -174.5 | -157.4 | -73.9 | 0 | 0 | 111.5 | D165 M166 L167 S171 K172 F173 I177 Y185 L213 Y362 | D165-M169 PolarHBondContact O-N 2.93Å; M166-M169 WeakPolarHBondContact O-CB 3.4Å; M166-M169 PolarHBondContact O-N 3.47Å; L167-M169 PolarHBondContact O-N 3.32Å; M169-S171 VanDerWaalsContact C-N 3.33Å; M169-S171 PolarHBondContact O-N 2.84Å; M169-K172 WeakPolarHBondContact O-CB 3.46Å; M169-K172 PolarHBondContact O-N 2.86Å; M169-F173 HydrophobicContact CG-CD2 3.88Å; M169-F173 HydrophobicContact CG-CE2 3.7Å; M169-F173 WeakPolarHBondContact O-CD2 3.42Å; M169-F173 PolarHBondContact O-N 3.23Å; M169-F173 HydrophobicContact SD-CE2 4.13Å; M169-I177 HydrophobicContact SD-CD1 4.22Å; M169-Y185 HydrophobicContact CE-CD2 4.43Å; M169-Y185 HydrophobicContact CE-CE1 4.02Å; M169-Y185 HydrophobicContact CE-CE2 3.63Å; M169-Y185 WeakPolarHBondContact CE-OH 3.45Å; M169-Y185 HydrophobicContact SD-CD2 4.29Å; M169-Y185 HydrophobicContact SD-CE2 3.78Å; M169-L213 HydrophobicContact CB-CD1 4.38Å; M169-L213 HydrophobicContact CE-CD1 3.7Å; M169-L213 HydrophobicContact CE-CD2 3.19Å; M169-L213 HydrophobicContact CE-CG 4.02Å; M169-Y362 HydrophobicContact CE-CD1 3.46Å; M169-Y362 VanDerWaalsContact CE-CD1 3.46Å; M169-Y362 HydrophobicContact CE-CE1 4.01Å; M169-Y362 HydrophobicContact CE-CG 4.19Å; M169-Y362 HydrophobicContact CG-CD1 4.15Å; M169-Y362 HydrophobicContact CG-CE1 4.09Å; M169-Y362 HydrophobicContact SD-CD1 4.28Å |
| 170 | L | 87.2 | Confident | 88.3 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.7 | -48.3 | 177.7 | -79.6 | 165.1 | 0 | 0 | 0 | 111.5 | M166 L167 K172 F173 D175 I177 P208 E278 M279 | M166-L170 WeakPolarHBondContact O-CG 3.38Å; M166-L170 PolarHBondContact O-N 3.47Å; L167-L170 WeakPolarHBondContact O-CB 3.38Å; L167-L170 PolarHBondContact O-N 3.31Å; L167-L170 VanDerWaalsContact O-N 3.11Å; L170-K172 PolarHBondContact O-N 2.97Å; L170-K172 VanDerWaalsContact O-N 3.16Å; L170-F173 PolarHBondContact O-N 2.87Å; L170-D175 PolarHBondContact O-N 3.23Å; L170-I177 HydrophobicContact CD2-CD1 3.44Å; L170-I177 VanDerWaalsContact CD2-CD1 3.44Å; L170-I177 HydrophobicContact CD2-CG1 3.9Å; L170-I177 HydrophobicContact CG-CD1 4.1Å; L170-P208 HydrophobicContact CD1-CB 3.73Å; L170-P208 HydrophobicContact CD1-CG 3.66Å; L170-E278 HydrophobicContact CD1-CG 4.46Å; L170-M279 HydrophobicContact CD2-CB 4.23Å; L170-M279 HydrophobicContact CD2-CG 3.95Å |
| 171 | S | 85.1 | Confident | 88.2 | Confident | 67 Ų | 67 | 44.1 Ų | 44.1 | 47% | 0.469 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.9 | -27.4 | 176.5 | -59 | 0 | 0 | 0 | 0 | 113.5 | L167 M169 | L167-S171 PolarHBondContact O-N 2.86Å; L167-S171 PolarHBondContact O-OG 2.68Å; M169-S171 VanDerWaalsContact C-N 3.33Å; M169-S171 PolarHBondContact O-N 2.84Å |
| 172 | K | 84.1 | Confident | 88.3 | Confident | 95 Ų | 95 | 43.4 Ų | 43.4 | 41% | 0.413 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -79 | -20.6 | 176.6 | -74 | 176.5 | -176.3 | 178.7 | 0 | 113.7 | T168 M169 L170 Y362 N374 | T168-K172 WeakPolarHBondContact O-CG 3.25Å; T168-K172 PolarHBondContact O-N 2.74Å; M169-K172 WeakPolarHBondContact O-CB 3.46Å; M169-K172 PolarHBondContact O-N 2.86Å; L170-K172 PolarHBondContact O-N 2.97Å; L170-K172 VanDerWaalsContact O-N 3.16Å; K172-Y362 WeakPolarHBondContact CD-OH 3.27Å; K172-Y362 PolarHBondContact NZ-OH 2.83Å; K172-N374 PolarHBondContact NZ-OD1 3.45Å |
| 173 | F | 83.1 | Confident | 88.5 | Confident | 54 Ų | 54 | 44.7 Ų | 44.7 | 24% | 0.237 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 24.9 | -179.3 | -80.5 | -78.5 | 0 | 0 | 0 | 113 | M169 L170 D175 K176 I177 I181 Y362 | M169-F173 HydrophobicContact CG-CD2 3.88Å; M169-F173 HydrophobicContact CG-CE2 3.7Å; M169-F173 WeakPolarHBondContact O-CD2 3.42Å; M169-F173 PolarHBondContact O-N 3.23Å; M169-F173 HydrophobicContact SD-CE2 4.13Å; L170-F173 PolarHBondContact O-N 2.87Å; F173-D175 PolarHBondContact O-N 2.85Å; F173-K176 PolarHBondContact O-N 3.24Å; F173-K176 VanDerWaalsContact O-N 3.13Å; F173-K176 VanDerWaalsContact O-O 3.13Å; F173-I177 HydrophobicContact CB-CG1 3.83Å; F173-I177 HydrophobicContact CD2-CD1 4.23Å; F173-I177 HydrophobicContact CD2-CG1 3.93Å; F173-I177 HydrophobicContact CG-CG1 3.96Å; F173-I181 HydrophobicContact CE1-CD1 4.11Å; F173-I181 HydrophobicContact CZ-CD1 4.14Å; F173-Y362 AromaticContact CE2-CD2 3.79Å; F173-Y362 HydrophobicContact CE2-CD2 3.79Å; F173-Y362 HydrophobicContact CE2-CE2 4.2Å; F173-Y362 HydrophobicContact CE2-CG 4.18Å; F173-Y362 AromaticContact CZ-CD2 3.7Å; F173-Y362 HydrophobicContact CZ-CD2 3.7Å; F173-Y362 HydrophobicContact CZ-CE2 4.37Å; F173-Y362 HydrophobicContact CZ-CG 4.28Å |
| 174 | D | 77.9 | Confident | 88.7 | Confident | 148 Ų | 148 | 45.2 Ų | 45.2 | 79% | 0.791 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 44.5 | -174 | -63.3 | -35.8 | 0 | 0 | 0 | 111.5 | K176 | D174-K176 PolarHBondContact O-N 3.47Š|
| 175 | D | 73.5 | Confident | 89 | Confident | 91 Ų | 91 | 45.2 Ų | 45.2 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | -0.9 | -179.7 | -48.2 | -42.2 | 0 | 0 | 0 | 115.6 | L170 F173 G282 | L170-D175 PolarHBondContact O-N 3.23Å; F173-D175 PolarHBondContact O-N 2.85Å; D175-G282 WeakPolarHBondContact O-CA 3.48Å |
| 176 | K | 83.9 | Confident | 89.2 | Confident | 105 Ų | 105 | 44.2 Ų | 44.2 | 46% | 0.457 | 23% | 0.229 | S | C | . | . | trans | -132.4 | 114.3 | -179.6 | -67.5 | 177.7 | -175.7 | 171.6 | 0 | 112.7 | F173 D174 F281 | F173-K176 PolarHBondContact O-N 3.24Å; F173-K176 VanDerWaalsContact O-N 3.13Å; F173-K176 VanDerWaalsContact O-O 3.13Å; D174-K176 PolarHBondContact O-N 3.47Å; K176-F281 WeakPolarHBondContact CE-O 3.35Å | ||
| 177 | I | 88.1 | Confident | 89.4 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | trans | -90.1 | 132.2 | 179.4 | -61.5 | 179.7 | 0 | 0 | 0 | 109.8 | M169 L170 F173 E179 I181 V182 M279 | M169-I177 HydrophobicContact SD-CD1 4.22Å; L170-I177 HydrophobicContact CD2-CD1 3.44Å; L170-I177 VanDerWaalsContact CD2-CD1 3.44Å; L170-I177 HydrophobicContact CD2-CG1 3.9Å; L170-I177 HydrophobicContact CG-CD1 4.1Å; F173-I177 HydrophobicContact CB-CG1 3.83Å; F173-I177 HydrophobicContact CD2-CD1 4.23Å; F173-I177 HydrophobicContact CD2-CG1 3.93Å; F173-I177 HydrophobicContact CG-CG1 3.96Å; I177-E179 PolarHBondContact O-N 3.31Å; I177-I181 HydrophobicContact CG2-CB 3.57Å; I177-I181 HydrophobicContact CG2-CG2 3.46Å; I177-I181 VanDerWaalsContact CG2-CG2 3.46Å; I177-V182 HydrophobicContact CB-CG2 3.75Å; I177-V182 HydrophobicContact CG2-CG2 3.62Å; I177-M279 HydrophobicContact CD1-CE 3.69Å; I177-M279 HydrophobicContact CD1-CG 4.43Å; I177-M279 PolarHBondContact N-O 3.08Å | ||
| 178 | P | 90.8 | Very high | 89.8 | Confident | 58 Ų | 58 | 42 Ų | 42 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | trans | -53.8 | 138.5 | 173.1 | -26.9 | 34.2 | 0 | 0 | 0 | 112.8 | N180 I181 V182 | P178-N180 WeakPolarHBondContact CB-OD1 3.3Å; P178-N180 PolarHBondContact O-N 3Å; P178-N180 VanDerWaalsContact O-N 3.08Å; P178-I181 HydrophobicContact CB-CD1 4.4Å; P178-I181 HydrophobicContact CB-CG1 4.3Å; P178-I181 HydrophobicContact CG-CD1 4.18Å; P178-I181 WeakPolarHBondContact O-CA 3.47Å; P178-I181 WeakPolarHBondContact O-CB 3.27Å; P178-I181 PolarHBondContact O-N 3.35Å; P178-V182 PolarHBondContact O-N 2.89Å; P178-V182 VanDerWaalsContact O-N 3.08Å | ||
| 179 | E | 92.4 | Very high | 90.3 | Very high | 51 Ų | 51 | 41.3 Ų | 41.3 | 24% | 0.238 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.6 | -35.9 | -172.7 | -171.1 | -178.7 | 142.5 | 0 | 0 | 114 | I177 I181 V182 Q183 L280 S315 A318 F346 | I177-E179 PolarHBondContact O-N 3.31Å; E179-I181 VanDerWaalsContact C-N 3.29Å; E179-I181 PolarHBondContact O-N 3.32Å; E179-V182 PolarHBondContact O-N 3.22Å; E179-Q183 WeakPolarHBondContact O-CB 3.38Å; E179-Q183 PolarHBondContact O-N 3.17Å; E179-L280 HydrophobicContact CB-CD2 4.2Å; E179-L280 HydrophobicContact CG-CD2 4.29Å; E179-S315 VanDerWaalsContact CD-OG 3.31Å; E179-S315 WeakPolarHBondContact OE1-CB 3.47Å; E179-S315 PolarHBondContact OE1-OG 3.47Å; E179-S315 WeakPolarHBondContact OE2-CB 3.3Å; E179-S315 PolarHBondContact OE2-N 3Å; E179-S315 PolarHBondContact OE2-OG 2.86Å; E179-A318 HydrophobicContact CG-CB 4.38Å; E179-F346 HydrophobicContact CG-CE2 3.86Å |
| 180 | N | 92 | Very high | 90.8 | Very high | 104 Ų | 104 | 41.2 Ų | 41.2 | 56% | 0.556 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -67 | -29.6 | 177.5 | 68.2 | -74.1 | 0 | 0 | 0 | 113.2 | P178 | P178-N180 WeakPolarHBondContact CB-OD1 3.3Å; P178-N180 PolarHBondContact O-N 3Å; P178-N180 VanDerWaalsContact O-N 3.08Å |
| 181 | I | 93.7 | Very high | 91.2 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -77.3 | -42.4 | 175.6 | -58.7 | -171.8 | 0 | 0 | 0 | 109.1 | F173 I177 P178 E179 Q183 F184 Y185 P361 | F173-I181 HydrophobicContact CE1-CD1 4.11Å; F173-I181 HydrophobicContact CZ-CD1 4.14Å; I177-I181 HydrophobicContact CG2-CB 3.57Å; I177-I181 HydrophobicContact CG2-CG2 3.46Å; I177-I181 VanDerWaalsContact CG2-CG2 3.46Å; P178-I181 HydrophobicContact CB-CD1 4.4Å; P178-I181 HydrophobicContact CB-CG1 4.3Å; P178-I181 HydrophobicContact CG-CD1 4.18Å; P178-I181 WeakPolarHBondContact O-CA 3.47Å; P178-I181 WeakPolarHBondContact O-CB 3.27Å; P178-I181 PolarHBondContact O-N 3.35Å; E179-I181 VanDerWaalsContact C-N 3.29Å; E179-I181 PolarHBondContact O-N 3.32Å; I181-Q183 VanDerWaalsContact C-N 3.3Å; I181-Q183 PolarHBondContact O-N 2.99Å; I181-F184 PolarHBondContact O-N 2.77Å; I181-Y185 HydrophobicContact CG2-CD2 3.71Å; I181-Y185 HydrophobicContact CG2-CE2 3.61Å; I181-Y185 WeakPolarHBondContact O-CD2 3.43Å; I181-Y185 PolarHBondContact O-N 3.15Å; I181-Y185 VanDerWaalsContact O-N 3.16Å; I181-P361 HydrophobicContact CB-CG 4.31Å; I181-P361 HydrophobicContact CD1-CB 4.48Å; I181-P361 HydrophobicContact CG1-CB 3.98Å; I181-P361 HydrophobicContact CG1-CG 4.33Å; I181-P361 HydrophobicContact CG2-CB 4.39Å; I181-P361 HydrophobicContact CG2-CG 3.92Å |
| 182 | V | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.8 | -43.3 | 172.7 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | I177 P178 E179 F184 Y185 V186 M276 M279 L280 F346 | I177-V182 HydrophobicContact CB-CG2 3.75Å; I177-V182 HydrophobicContact CG2-CG2 3.62Å; P178-V182 PolarHBondContact O-N 2.89Å; P178-V182 VanDerWaalsContact O-N 3.08Å; E179-V182 PolarHBondContact O-N 3.22Å; V182-F184 VanDerWaalsContact C-N 3.29Å; V182-F184 PolarHBondContact O-N 3.44Å; V182-Y185 PolarHBondContact O-N 2.97Å; V182-V186 HydrophobicContact CG1-CG2 3.64Å; V182-V186 VanDerWaalsContact O-CB 3.29Å; V182-V186 WeakPolarHBondContact O-CB 3.44Å; V182-V186 VanDerWaalsContact O-CG2 3.25Å; V182-V186 WeakPolarHBondContact O-CG2 3.06Å; V182-V186 PolarHBondContact O-N 3.37Å; V182-M276 HydrophobicContact CG1-CG 4.2Å; V182-M279 HydrophobicContact CG1-CB 4.27Å; V182-M279 HydrophobicContact CG1-SD 4.11Å; V182-M279 HydrophobicContact CG2-CB 3.85Å; V182-M279 HydrophobicContact CG2-CE 4.21Å; V182-L280 HydrophobicContact CB-CD2 4.1Å; V182-L280 HydrophobicContact CG1-CD1 4.39Å; V182-L280 HydrophobicContact CG1-CD2 4.22Å; V182-L280 HydrophobicContact CG1-CG 4.12Å; V182-L280 HydrophobicContact CG2-CD2 3.72Å; V182-L280 HydrophobicContact CG2-CG 4.15Å; V182-F346 HydrophobicContact CG1-CZ 4.37Å |
| 183 | Q | 96.5 | Very high | 92.5 | Very high | 47 Ų | 47 | 33.9 Ų | 33.9 | 22% | 0.22 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.9 | -44.4 | 177.9 | -166.4 | -166.2 | 33.7 | 0 | 0 | 112 | E179 I181 S187 F346 N348 I350 | E179-Q183 WeakPolarHBondContact O-CB 3.38Å; E179-Q183 PolarHBondContact O-N 3.17Å; I181-Q183 VanDerWaalsContact C-N 3.3Å; I181-Q183 PolarHBondContact O-N 2.99Å; Q183-S187 WeakPolarHBondContact O-CB 3.37Å; Q183-S187 PolarHBondContact O-N 3.34Å; Q183-S187 VanDerWaalsContact O-N 3.16Å; Q183-S187 PolarHBondContact O-OG 2.91Å; Q183-F346 HydrophobicContact CB-CE1 4.15Å; Q183-F346 HydrophobicContact CB-CZ 3.88Å; Q183-F346 HydrophobicContact CG-CD1 4.48Å; Q183-F346 HydrophobicContact CG-CE1 4.09Å; Q183-F346 HydrophobicContact CG-CZ 4.18Å; Q183-F346 PolarHBondContact NE2-O 3.15Å; Q183-N348 PolarHBondContact NE2-O 3.44Å; Q183-I350 HydrophobicContact CG-CD1 4.01Å; Q183-I350 HydrophobicContact CG-CG1 4.22Å |
| 184 | F | 96.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 32.5 Ų | 32.5 | 7% | 0.066 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.8 | -54.3 | 178.1 | -175.5 | -87.7 | 0 | 0 | 0 | 111.6 | I181 V182 V186 S187 E188 I355 Q358 P360 P361 | I181-F184 PolarHBondContact O-N 2.77Å; V182-F184 VanDerWaalsContact C-N 3.29Å; V182-F184 PolarHBondContact O-N 3.44Å; F184-V186 PolarHBondContact O-N 3.14Å; F184-S187 WeakPolarHBondContact O-CB 2.98Å; F184-S187 PolarHBondContact O-N 3.44Å; F184-S187 VanDerWaalsContact O-N 3.15Å; F184-E188 HydrophobicContact CD1-CG 4.43Å; F184-E188 VanDerWaalsContact CE1-CD 3.46Å; F184-E188 HydrophobicContact CE1-CG 4.03Å; F184-E188 WeakPolarHBondContact CE1-OE1 3.47Å; F184-E188 HydrophobicContact CZ-CG 4.43Å; F184-E188 WeakPolarHBondContact CZ-OE1 3.27Å; F184-E188 PolarHBondContact O-N 3.4Å; F184-E188 VanDerWaalsContact O-N 3.08Å; F184-I355 HydrophobicContact CD2-CD1 4.33Å; F184-I355 HydrophobicContact CD2-CG1 4.32Å; F184-I355 HydrophobicContact CE2-CD1 4.23Å; F184-I355 HydrophobicContact CE2-CG1 3.77Å; F184-I355 HydrophobicContact CZ-CG1 4.16Å; F184-Q358 HydrophobicContact CE2-CB 4.4Å; F184-P360 HydrophobicContact CE1-CB 3.73Å; F184-P360 HydrophobicContact CE1-CG 4.02Å; F184-P360 HydrophobicContact CZ-CB 4Å; F184-P360 HydrophobicContact CZ-CG 3.98Å; F184-P361 HydrophobicContact CB-CG 3.93Å; F184-P361 HydrophobicContact CD1-CG 4.05Å; F184-P361 VanDerWaalsContact CG-CD 3.47Å; F184-P361 HydrophobicContact CG-CG 3.99Å |
| 185 | Y | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.1 | -38.8 | -175.3 | -75.7 | -58.9 | 0 | 0 | 0 | 113.4 | M166 M169 I181 V182 S187 E188 M189 L213 G217 I219 M279 P361 Y362 | M166-Y185 HydrophobicContact CE-CD1 4.09Å; M166-Y185 HydrophobicContact CE-CG 4.05Å; M169-Y185 HydrophobicContact CE-CD2 4.43Å; M169-Y185 HydrophobicContact CE-CE1 4.02Å; M169-Y185 HydrophobicContact CE-CE2 3.63Å; M169-Y185 WeakPolarHBondContact CE-OH 3.45Å; M169-Y185 HydrophobicContact SD-CD2 4.29Å; M169-Y185 HydrophobicContact SD-CE2 3.78Å; I181-Y185 HydrophobicContact CG2-CD2 3.71Å; I181-Y185 HydrophobicContact CG2-CE2 3.61Å; I181-Y185 WeakPolarHBondContact O-CD2 3.43Å; I181-Y185 PolarHBondContact O-N 3.15Å; I181-Y185 VanDerWaalsContact O-N 3.16Å; V182-Y185 PolarHBondContact O-N 2.97Å; Y185-S187 VanDerWaalsContact C-N 3.27Å; Y185-S187 PolarHBondContact O-N 2.73Å; Y185-E188 PolarHBondContact O-N 3.4Å; Y185-M189 VanDerWaalsContact O-CG 3.3Å; Y185-M189 WeakPolarHBondContact O-CG 3.31Å; Y185-M189 PolarHBondContact O-N 3.25Å; Y185-L213 HydrophobicContact CE1-CD2 4.21Å; Y185-G217 WeakPolarHBondContact CE1-O 3.46Å; Y185-G217 PolarHBondContact OH-O 2.82Å; Y185-I219 HydrophobicContact CD1-CG2 3.54Å; Y185-I219 HydrophobicContact CE1-CG2 3.75Å; Y185-M279 HydrophobicContact CD2-CE 4.43Å; Y185-P361 HydrophobicContact CE2-CG 4.16Å; Y185-Y362 WeakPolarHBondContact OH-CB 3.21Å; Y185-Y362 PolarHBondContact OH-O 2.59Å |
| 186 | V | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.7 | -35.8 | 173.6 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | V182 F184 M189 V190 L272 M276 M279 F347 | V182-V186 HydrophobicContact CG1-CG2 3.64Å; V182-V186 VanDerWaalsContact O-CB 3.29Å; V182-V186 WeakPolarHBondContact O-CB 3.44Å; V182-V186 VanDerWaalsContact O-CG2 3.25Å; V182-V186 WeakPolarHBondContact O-CG2 3.06Å; V182-V186 PolarHBondContact O-N 3.37Å; F184-V186 PolarHBondContact O-N 3.14Å; V186-M189 PolarHBondContact O-N 3.03Å; V186-V190 VanDerWaalsContact O-CG2 3.25Å; V186-V190 WeakPolarHBondContact O-CG2 3.46Å; V186-V190 PolarHBondContact O-N 3.05Å; V186-L272 HydrophobicContact CG1-CD1 4.29Å; V186-M276 HydrophobicContact CG1-SD 4.37Å; V186-M276 HydrophobicContact CG2-CB 4.16Å; V186-M276 HydrophobicContact CG2-CG 4.11Å; V186-M279 HydrophobicContact CG2-SD 4.2Å; V186-F347 HydrophobicContact CB-CE1 4.43Å; V186-F347 HydrophobicContact CG1-CE1 3.91Å; V186-F347 HydrophobicContact CG1-CZ 3.83Å |
| 187 | S | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 174.5 | -57.7 | 0 | 0 | 0 | 0 | 112 | Q183 F184 Y185 V190 L191 F347 W352 | Q183-S187 WeakPolarHBondContact O-CB 3.37Å; Q183-S187 PolarHBondContact O-N 3.34Å; Q183-S187 VanDerWaalsContact O-N 3.16Å; Q183-S187 PolarHBondContact O-OG 2.91Å; F184-S187 WeakPolarHBondContact O-CB 2.98Å; F184-S187 PolarHBondContact O-N 3.44Å; F184-S187 VanDerWaalsContact O-N 3.15Å; Y185-S187 VanDerWaalsContact C-N 3.27Å; Y185-S187 PolarHBondContact O-N 2.73Å; S187-V190 PolarHBondContact O-N 3.03Å; S187-L191 PolarHBondContact O-N 3.1Å; S187-F347 VanDerWaalsContact OG-CD1 3.23Å; S187-F347 WeakPolarHBondContact OG-CD1 3.27Å; S187-F347 WeakPolarHBondContact OG-CE1 3.29Å; S187-W352 WeakPolarHBondContact O-CZ3 3.46Å |
| 188 | E | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 175.4 | -67.6 | -160.9 | 150.4 | 0 | 0 | 112.1 | W140 F184 Y185 V190 L191 A192 H218 I219 I355 | W140-E188 HydrophobicContact CH2-CG 4.3Å; W140-E188 HydrophobicContact CZ3-CB 3.82Å; W140-E188 HydrophobicContact CZ3-CG 3.92Å; F184-E188 HydrophobicContact CD1-CG 4.43Å; F184-E188 VanDerWaalsContact CE1-CD 3.46Å; F184-E188 HydrophobicContact CE1-CG 4.03Å; F184-E188 WeakPolarHBondContact CE1-OE1 3.47Å; F184-E188 HydrophobicContact CZ-CG 4.43Å; F184-E188 WeakPolarHBondContact CZ-OE1 3.27Å; F184-E188 PolarHBondContact O-N 3.4Å; F184-E188 VanDerWaalsContact O-N 3.08Å; Y185-E188 PolarHBondContact O-N 3.4Å; E188-V190 VanDerWaalsContact C-N 3.31Å; E188-V190 PolarHBondContact O-N 3.37Å; E188-L191 PolarHBondContact O-N 3.21Å; E188-A192 WeakPolarHBondContact O-CB 3.47Å; E188-A192 PolarHBondContact O-N 2.96Å; E188-H218 IonicContact OE1-CE1 3.02Å; E188-H218 IonicContact OE1-CG 2.79Å; E188-H218 IonicContact OE1-ND1 2.72Å; E188-H218 PolarHBondContact OE1-ND1 2.89Å; E188-I219 HydrophobicContact CB-CD1 3.98Å; E188-I219 HydrophobicContact CB-CG1 3.47Å; E188-I219 VanDerWaalsContact CB-CG1 3.47Å; E188-I219 HydrophobicContact CG-CG1 4.43Å; E188-I219 VanDerWaalsContact OE2-CG1 3.26Å; E188-I219 WeakPolarHBondContact OE2-CG1 3.19Å; E188-I219 PolarHBondContact OE2-N 2.97Å; E188-I355 HydrophobicContact CG-CD1 3.92Å; E188-I355 HydrophobicContact CG-CG1 4.35Å |
| 189 | M | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.6 | -40.4 | 176 | -72.9 | 179.7 | 72.8 | 0 | 0 | 111.7 | M166 Y185 V186 L191 A192 I193 I206 V211 I219 L272 V275 | M166-M189 HydrophobicContact CE-SD 4.12Å; M166-M189 HydrophobicContact SD-SD 4.05Å; Y185-M189 VanDerWaalsContact O-CG 3.3Å; Y185-M189 WeakPolarHBondContact O-CG 3.31Å; Y185-M189 PolarHBondContact O-N 3.25Å; V186-M189 PolarHBondContact O-N 3.03Å; M189-L191 VanDerWaalsContact C-N 3.35Å; M189-L191 PolarHBondContact O-N 3.45Å; M189-A192 PolarHBondContact O-N 3.12Å; M189-I193 WeakPolarHBondContact O-CB 3.46Å; M189-I193 WeakPolarHBondContact O-CG1 3.35Å; M189-I193 PolarHBondContact O-N 2.92Å; M189-I206 HydrophobicContact CE-CG2 3.85Å; M189-V211 HydrophobicContact CE-CG2 3.8Å; M189-V211 HydrophobicContact CG-CG1 4.5Å; M189-V211 HydrophobicContact SD-CG2 4.34Å; M189-I219 HydrophobicContact CB-CD1 4.44Å; M189-I219 HydrophobicContact CG-CD1 3.8Å; M189-L272 HydrophobicContact CB-CD1 3.72Å; M189-L272 HydrophobicContact CE-CD1 3.67Å; M189-L272 HydrophobicContact CG-CD1 4.49Å; M189-L272 HydrophobicContact SD-CD1 3.99Å; M189-V275 HydrophobicContact CE-CB 4.35Å; M189-V275 HydrophobicContact CE-CG1 3.98Å; M189-V275 HydrophobicContact CE-CG2 4.46Å; M189-V275 HydrophobicContact SD-CG1 4.17Å |
| 190 | V | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 174.9 | 167.6 | 0 | 0 | 0 | 0 | 110.9 | V186 S187 E188 A192 D194 L272 I338 L341 F347 W352 | V186-V190 VanDerWaalsContact O-CG2 3.25Å; V186-V190 WeakPolarHBondContact O-CG2 3.46Å; V186-V190 PolarHBondContact O-N 3.05Å; S187-V190 PolarHBondContact O-N 3.03Å; E188-V190 VanDerWaalsContact C-N 3.31Å; E188-V190 PolarHBondContact O-N 3.37Å; V190-A192 VanDerWaalsContact C-N 3.35Å; V190-D194 WeakPolarHBondContact O-CB 3.36Å; V190-D194 PolarHBondContact O-N 2.99Å; V190-L272 HydrophobicContact CG2-CD2 3.58Å; V190-I338 HydrophobicContact CG1-CD1 3.61Å; V190-I338 HydrophobicContact CG1-CG1 3.68Å; V190-L341 HydrophobicContact CG1-CB 4.23Å; V190-L341 HydrophobicContact CG1-CD1 4.05Å; V190-L341 HydrophobicContact CG2-CD1 4.26Å; V190-F347 HydrophobicContact CG2-CZ 4.26Å; V190-W352 HydrophobicContact CB-CH2 4.37Å; V190-W352 HydrophobicContact CB-CZ3 4.17Å; V190-W352 HydrophobicContact CG1-CH2 4.2Å; V190-W352 HydrophobicContact CG1-CZ3 4.02Å |
| 191 | L | 97.2 | Very high | 96 | Very high | 15 Ų | 15 | 17.4 Ų | 17.4 | 8% | 0.079 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.7 | -36.1 | 176.8 | -67.9 | 174.1 | 0 | 0 | 0 | 112.5 | W140 S187 E188 M189 S195 I338 W352 I355 | W140-L191 HydrophobicContact CD2-CB 4.16Å; W140-L191 HydrophobicContact CE3-CB 4.48Å; W140-L191 HydrophobicContact CH2-CB 4.19Å; W140-L191 HydrophobicContact CH2-CD1 3.71Å; W140-L191 HydrophobicContact CZ2-CB 3.83Å; W140-L191 HydrophobicContact CZ2-CD1 3.49Å; W140-L191 VanDerWaalsContact CZ2-CD1 3.49Å; W140-L191 HydrophobicContact CZ2-CG 4.3Å; W140-L191 HydrophobicContact CZ3-CB 4.5Å; S187-L191 PolarHBondContact O-N 3.1Å; E188-L191 PolarHBondContact O-N 3.21Å; M189-L191 VanDerWaalsContact C-N 3.35Å; M189-L191 PolarHBondContact O-N 3.45Å; L191-S195 VanDerWaalsContact O-CB 3.3Å; L191-S195 WeakPolarHBondContact O-CB 3.47Å; L191-S195 PolarHBondContact O-N 3.16Å; L191-S195 PolarHBondContact O-OG 3.38Å; L191-I338 HydrophobicContact CD2-CD1 4.08Å; L191-W352 HydrophobicContact CD1-CE3 4.12Å; L191-W352 HydrophobicContact CD2-CE3 3.94Å; L191-W352 HydrophobicContact CD2-CZ3 4.46Å; L191-W352 HydrophobicContact CG-CE3 3.91Å; L191-W352 HydrophobicContact CG-CZ3 4.16Å; L191-I355 HydrophobicContact CD1-CG2 3.54Å |
| 192 | A | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -70.5 | -43.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W140 E188 M189 V190 S195 L196 I219 L221 | W140-A192 HydrophobicContact CB-CB 3.7Å; W140-A192 HydrophobicContact CE3-CB 4.32Å; W140-A192 HydrophobicContact CG-CB 4.32Å; E188-A192 WeakPolarHBondContact O-CB 3.47Å; E188-A192 PolarHBondContact O-N 2.96Å; M189-A192 PolarHBondContact O-N 3.12Å; V190-A192 VanDerWaalsContact C-N 3.35Å; A192-S195 WeakPolarHBondContact O-CB 3.4Å; A192-S195 PolarHBondContact O-N 3.1Å; A192-L196 PolarHBondContact O-N 3.34Å; A192-L196 VanDerWaalsContact O-N 3.16Å; A192-I219 HydrophobicContact CB-CD1 4.17Å; A192-L221 VanDerWaalsContact C-CD1 3.47Å; A192-L221 HydrophobicContact CB-CD1 3.58Å; A192-L221 HydrophobicContact CB-CG 3.65Å |
| 193 | I | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 175.1 | -69.6 | 167.8 | 0 | 0 | 0 | 109.8 | M189 S195 L196 H197 I206 L221 D268 Y269 L272 | M189-I193 WeakPolarHBondContact O-CB 3.46Å; M189-I193 WeakPolarHBondContact O-CG1 3.35Å; M189-I193 PolarHBondContact O-N 2.92Å; I193-S195 VanDerWaalsContact C-N 3.3Å; I193-S195 PolarHBondContact O-N 3.16Å; I193-L196 WeakPolarHBondContact O-CB 3.36Å; I193-L196 PolarHBondContact O-N 2.82Å; I193-L196 VanDerWaalsContact O-N 3.1Å; I193-H197 WeakPolarHBondContact CG2-CE1 3.16Å; I193-H197 PolarHBondContact O-CD2 2.64Å; I193-H197 PolarHBondContact O-N 3.09Å; I193-I206 HydrophobicContact CD1-CD1 4.32Å; I193-I206 HydrophobicContact CD1-CG1 4.3Å; I193-I206 HydrophobicContact CD1-CG2 4.29Å; I193-I206 HydrophobicContact CG1-CD1 3.95Å; I193-I206 HydrophobicContact CG1-CG1 4.39Å; I193-L221 HydrophobicContact CG1-CD1 4.04Å; I193-D268 HydrophobicContact CG2-CB 3.94Å; I193-Y269 HydrophobicContact CB-CE1 4.43Å; I193-Y269 HydrophobicContact CG2-CD1 4.4Å; I193-Y269 HydrophobicContact CG2-CE1 3.8Å; I193-L272 HydrophobicContact CD1-CB 4.12Å; I193-L272 HydrophobicContact CD1-CD1 4.2Å; I193-L272 HydrophobicContact CD1-CD2 4.35Å; I193-L272 HydrophobicContact CD1-CG 4.46Å |
| 194 | D | 96.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 14.4 Ų | 14.4 | 13% | 0.128 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63 | -37.1 | 178 | -176.6 | 63.9 | 0 | 0 | 0 | 112 | V190 L196 H197 Q198 I338 | V190-D194 WeakPolarHBondContact O-CB 3.36Å; V190-D194 PolarHBondContact O-N 2.99Å; D194-L196 VanDerWaalsContact C-N 3.28Å; D194-L196 PolarHBondContact O-N 3.12Å; D194-H197 PolarHBondContact O-N 2.81Å; D194-H197 VanDerWaalsContact O-N 3.12Å; D194-Q198 WeakPolarHBondContact O-CB 3.21Å; D194-Q198 VanDerWaalsContact O-CG 3.29Å; D194-Q198 WeakPolarHBondContact O-CG 3.49Å; D194-Q198 PolarHBondContact O-N 3.33Å; D194-Q198 PolarHBondContact OD2-NE2 3.15Å; D194-I338 HydrophobicContact CB-CB 4.4Å; D194-I338 HydrophobicContact CB-CD1 3.53Å; D194-I338 HydrophobicContact CB-CG1 4.33Å |
| 195 | S | 95.6 | Very high | 95.5 | Very high | 21 Ų | 21 | 14.2 Ų | 14.2 | 15% | 0.147 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.1 | -37.3 | 174.2 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | L191 A192 I193 L199 | L191-S195 VanDerWaalsContact O-CB 3.3Å; L191-S195 WeakPolarHBondContact O-CB 3.47Å; L191-S195 PolarHBondContact O-N 3.16Å; L191-S195 PolarHBondContact O-OG 3.38Å; A192-S195 WeakPolarHBondContact O-CB 3.4Å; A192-S195 PolarHBondContact O-N 3.1Å; I193-S195 VanDerWaalsContact C-N 3.3Å; I193-S195 PolarHBondContact O-N 3.16Å; S195-L199 WeakPolarHBondContact O-CG 3.38Å; S195-L199 PolarHBondContact O-N 3.47Å |
| 196 | L | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.3 | -43.3 | 172.7 | 179.6 | 66.7 | 0 | 0 | 0 | 111.7 | V129 L141 A192 I193 D194 Q198 L199 Y201 H203 F224 | V129-L196 HydrophobicContact CB-CD1 4.39Å; V129-L196 HydrophobicContact CG1-CD1 3.39Å; V129-L196 HydrophobicContact CG2-CD1 4.03Å; L141-L196 HydrophobicContact CD1-CD1 4.46Å; L141-L196 HydrophobicContact CD2-CB 4.26Å; A192-L196 PolarHBondContact O-N 3.34Å; A192-L196 VanDerWaalsContact O-N 3.16Å; I193-L196 WeakPolarHBondContact O-CB 3.36Å; I193-L196 PolarHBondContact O-N 2.82Å; I193-L196 VanDerWaalsContact O-N 3.1Å; D194-L196 VanDerWaalsContact C-N 3.28Å; D194-L196 PolarHBondContact O-N 3.12Å; L196-Q198 VanDerWaalsContact C-N 3.3Å; L196-Q198 PolarHBondContact O-N 3.49Å; L196-L199 WeakPolarHBondContact O-CB 3.28Å; L196-L199 PolarHBondContact O-N 3.08Å; L196-Y201 PolarHBondContact O-N 3.43Å; L196-H203 HydrophobicContact CD2-CB 3.57Å; L196-F224 HydrophobicContact CD1-CD1 4.39Å; L196-F224 HydrophobicContact CD1-CE1 4.43Å |
| 197 | H | 95.4 | Very high | 95.3 | Very high | 19 Ų | 19 | 15.6 Ų | 15.6 | 9% | 0.088 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 178.2 | -65 | 171.9 | 0 | 0 | 0 | 111.9 | I193 D194 L199 G200 Y201 V265 D268 Y269 | I193-H197 WeakPolarHBondContact CG2-CE1 3.16Å; I193-H197 PolarHBondContact O-CD2 2.64Å; I193-H197 PolarHBondContact O-N 3.09Å; D194-H197 PolarHBondContact O-N 2.81Å; D194-H197 VanDerWaalsContact O-N 3.12Å; H197-L199 PolarHBondContact O-N 3.24Å; H197-G200 WeakPolarHBondContact O-CA 3.31Å; H197-G200 PolarHBondContact O-N 3.42Å; H197-Y201 WeakPolarHBondContact CA-O 3.08Å; H197-Y201 PolarHBondContact CD2-O 2.83Å; H197-Y201 VanDerWaalsContact CD2-O 3.24Å; H197-V265 HydrophobicContact CB-CG1 3.98Å; H197-V265 VanDerWaalsContact CE1-CB 3.49Å; H197-V265 WeakPolarHBondContact CE1-CB 3.44Å; H197-V265 PolarHBondContact CE1-O 2.97Å; H197-V265 WeakPolarHBondContact ND1-CB 3.33Å; H197-D268 IonicContact CD2-OD2 3.24Å; H197-D268 IonicContact CE1-OD2 3.46Å; H197-D268 IonicContact NE2-OD2 3.63Å; H197-D268 PolarHBondContact NE2-OD2 2.89Å; H197-Y269 AromaticContact CE1-CE2 3.68Å; H197-Y269 AromaticContact CE1-CZ 3.89Å; H197-Y269 AromaticContact ND1-CE2 3.84Å; H197-Y269 AromaticContact ND1-CZ 3.91Å |
| 198 | Q | 93.5 | Very high | 95.2 | Very high | 146 Ų | 146 | 15.6 Ų | 15.6 | 68% | 0.682 | 8% | 0.083 | S | C | * | . | H | α-helix | trans | -63.3 | -26.5 | 173.9 | -72.4 | -179.6 | 24.9 | 0 | 0 | 113.1 | D194 L196 G200 | D194-Q198 WeakPolarHBondContact O-CB 3.21Å; D194-Q198 VanDerWaalsContact O-CG 3.29Å; D194-Q198 WeakPolarHBondContact O-CG 3.49Å; D194-Q198 PolarHBondContact O-N 3.33Å; D194-Q198 PolarHBondContact OD2-NE2 3.15Å; L196-Q198 VanDerWaalsContact C-N 3.3Å; L196-Q198 PolarHBondContact O-N 3.49Å; Q198-G200 PolarHBondContact O-N 3.19Å |
| 199 | L | 91.8 | Very high | 94.8 | Very high | 33 Ų | 33 | 18.5 Ų | 18.5 | 17% | 0.173 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -5.2 | 171.6 | -62.1 | -179.2 | 0 | 0 | 0 | 113.1 | K132 A133 L141 S195 L196 H197 Y201 | K132-L199 HydrophobicContact CB-CD1 4.09Å; K132-L199 HydrophobicContact CB-CD2 4.11Å; A133-L199 HydrophobicContact CB-CD1 4.01Å; L141-L199 HydrophobicContact CD1-CD1 3.63Å; S195-L199 WeakPolarHBondContact O-CG 3.38Å; S195-L199 PolarHBondContact O-N 3.47Å; L196-L199 WeakPolarHBondContact O-CB 3.28Å; L196-L199 PolarHBondContact O-N 3.08Å; H197-L199 PolarHBondContact O-N 3.24Å; L199-Y201 HydrophobicContact CB-CD2 4.09Å; L199-Y201 VanDerWaalsContact O-CD2 3.27Å; L199-Y201 WeakPolarHBondContact O-CD2 3.19Å; L199-Y201 VanDerWaalsContact O-CE2 3.29Å; L199-Y201 WeakPolarHBondContact O-CE2 3.35Å |
| 200 | G | 92.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 19 Ų | 19 | 24% | 0.237 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 31.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H197 Q198 K229 L230 | H197-G200 WeakPolarHBondContact O-CA 3.31Å; H197-G200 PolarHBondContact O-N 3.42Å; Q198-G200 PolarHBondContact O-N 3.19Å; G200-K229 CarbonylContact O-C 3.59Å; G200-K229 WeakPolarHBondContact O-CA 3.49Å; G200-L230 WeakPolarHBondContact O-CB 3.03Å; G200-L230 PolarHBondContact O-N 3.23Å |
| 201 | Y | 94.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 156.2 | 178.5 | -64.1 | -98 | 0 | 0 | 0 | 111.9 | E125 V129 K132 L196 H197 L199 L228 K229 | E125-Y201 HydrophobicContact CB-CE1 4.3Å; E125-Y201 HydrophobicContact CG-CE1 4.43Å; V129-Y201 HydrophobicContact CG2-CD1 3.53Å; V129-Y201 HydrophobicContact CG2-CD2 3.69Å; V129-Y201 HydrophobicContact CG2-CE1 3.88Å; V129-Y201 HydrophobicContact CG2-CE2 4.03Å; V129-Y201 HydrophobicContact CG2-CG 3.45Å; V129-Y201 VanDerWaalsContact CG2-CG 3.45Å; K132-Y201 HydrophobicContact CD-CE2 3.7Å; K132-Y201 VanDerWaalsContact NZ-CE2 3.29Å; K132-Y201 PolarHBondContact NZ-OH 3.39Å; L196-Y201 PolarHBondContact O-N 3.43Å; H197-Y201 WeakPolarHBondContact CA-O 3.08Å; H197-Y201 PolarHBondContact CD2-O 2.83Å; H197-Y201 VanDerWaalsContact CD2-O 3.24Å; L199-Y201 HydrophobicContact CB-CD2 4.09Å; L199-Y201 VanDerWaalsContact O-CD2 3.27Å; L199-Y201 WeakPolarHBondContact O-CD2 3.19Å; L199-Y201 VanDerWaalsContact O-CE2 3.29Å; L199-Y201 WeakPolarHBondContact O-CE2 3.35Å; Y201-L228 CarbonylContact C-O 3.6Å; Y201-L228 VanDerWaalsContact CA-O 3.24Å; Y201-L228 WeakPolarHBondContact CA-O 3.49Å; Y201-K229 HydrophobicContact CD1-CB 4.1Å; Y201-K229 HydrophobicContact CE1-CB 3.81Å; Y201-K229 HydrophobicContact CE1-CG 4.23Å |
| 202 | V | 93.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 138.4 | 170.2 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | R204 C227 L228 L230 V236 V265 C267 D268 | V202-R204 HydrophobicContact CB-CG 4.33Å; V202-R204 HydrophobicContact CG1-CG 3.86Å; V202-C227 VanDerWaalsContact O-CA 3.23Å; V202-C227 WeakPolarHBondContact O-CA 3.41Å; V202-L228 PolarHBondContact N-O 3.43Å; V202-L228 PolarHBondContact O-N 3.14Å; V202-L228 VanDerWaalsContact O-N 3.09Å; V202-L230 HydrophobicContact CG2-CD1 4.21Å; V202-L230 HydrophobicContact CG2-CD2 3.31Å; V202-L230 HydrophobicContact CG2-CG 3.71Å; V202-V236 HydrophobicContact CG2-CG2 4.01Å; V202-V265 HydrophobicContact CG2-CG1 4.22Å; V202-C267 WeakPolarHBondContact CG1-SG 3.29Å; V202-D268 VanDerWaalsContact CG1-OD2 3.3Å; V202-D268 WeakPolarHBondContact CG1-OD2 3.49Å |
| 203 | H | 93.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -75.7 | -48.8 | -175 | -163.6 | -61.8 | 0 | 0 | 0 | 113.3 | L196 D205 I206 A222 D223 S226 D268 | L196-H203 HydrophobicContact CD2-CB 3.57Å; H203-D205 PolarHBondContact CE1-O 3.02Å; H203-D205 PolarHBondContact ND1-N 3.22Å; H203-D205 PolarHBondContact O-N 2.85Å; H203-I206 HydrophobicContact CB-CD1 3.62Å; H203-I206 HydrophobicContact CB-CG1 3.97Å; H203-I206 VanDerWaalsContact CD2-CD1 3.46Å; H203-I206 WeakPolarHBondContact CD2-CD1 3.48Å; H203-I206 VanDerWaalsContact CG-CD1 3.42Å; H203-A222 PolarHBondContact NE2-O 3.29Å; H203-D223 PolarHBondContact CE1-O 2.9Å; H203-D223 VanDerWaalsContact CE1-O 3.32Å; H203-S226 CarbonylContact O-C 3.43Å; H203-D268 PolarHBondContact N-OD1 3.32Å; H203-D268 PolarHBondContact N-OD2 3.28Å | ||
| 204 | R | 92 | Very high | 94.2 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 64.6 | 3.4 | -178.2 | -47.9 | -170.7 | -60.1 | 154.7 | 0.3 | 117.1 | V202 S226 L228 I252 Y263 D268 | V202-R204 HydrophobicContact CB-CG 4.33Å; V202-R204 HydrophobicContact CG1-CG 3.86Å; R204-S226 PolarHBondContact NE-O 3.42Å; R204-S226 PolarHBondContact NH2-O 3.12Å; R204-L228 VanDerWaalsContact NH1-CD1 3.27Å; R204-I252 HydrophobicContact CB-CD1 4.11Å; R204-I252 HydrophobicContact CG-CD1 4.39Å; R204-Y263 WeakPolarHBondContact CD-OH 3.4Å; R204-Y263 HydrophobicContact CG-CE2 4.12Å; R204-Y263 PolarHBondContact NH1-OH 2.83Å; R204-D268 WeakPolarHBondContact CA-OD1 3.49Å; R204-D268 PolarHBondContact N-OD1 3.34Å |
| 205 | D | 92.5 | Very high | 94 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 6% | 0.064 | 13% | 0.13 | C | C | . | . | trans | -147.5 | 45.5 | -178.8 | -163 | 40.5 | 0 | 0 | 0 | 110.7 | H203 K207 N210 G243 T244 | H203-D205 PolarHBondContact CE1-O 3.02Å; H203-D205 PolarHBondContact ND1-N 3.22Å; H203-D205 PolarHBondContact O-N 2.85Å; D205-K207 PolarHBondContact O-N 2.85Å; D205-K207 IonicContact OD1-NZ 2.84Å; D205-K207 WeakPolarHBondContact OD2-CE 3.3Å; D205-K207 IonicContact OD2-NZ 3.77Å; D205-K207 PolarHBondContact OD2-NZ 2.86Å; D205-N210 PolarHBondContact O-ND2 3.44Å; D205-N210 PolarHBondContact OD2-ND2 2.88Å; D205-G243 WeakPolarHBondContact OD1-CA 3.38Å; D205-T244 PolarHBondContact OD1-N 3.46Å | ||
| 206 | I | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -72.6 | 121.6 | 173.6 | -58.8 | -64.3 | 0 | 0 | 0 | 108.2 | M189 I193 H203 L221 D268 S271 | M189-I206 HydrophobicContact CE-CG2 3.85Å; I193-I206 HydrophobicContact CD1-CD1 4.32Å; I193-I206 HydrophobicContact CD1-CG1 4.3Å; I193-I206 HydrophobicContact CD1-CG2 4.29Å; I193-I206 HydrophobicContact CG1-CD1 3.95Å; I193-I206 HydrophobicContact CG1-CG1 4.39Å; H203-I206 HydrophobicContact CB-CD1 3.62Å; H203-I206 HydrophobicContact CB-CG1 3.97Å; H203-I206 VanDerWaalsContact CD2-CD1 3.46Å; H203-I206 WeakPolarHBondContact CD2-CD1 3.48Å; H203-I206 VanDerWaalsContact CG-CD1 3.42Å; I206-L221 HydrophobicContact CD1-CD1 4.28Å; I206-L221 HydrophobicContact CD1-CD2 4.11Å; I206-D268 HydrophobicContact CG1-CB 4.06Å; I206-S271 WeakPolarHBondContact O-CB 3.16Å | ||
| 207 | K | 94.7 | Very high | 93.7 | Very high | 28 Ų | 28 | 24.7 Ų | 24.7 | 12% | 0.122 | 14% | 0.138 | C | C | . | . | trans | -160.8 | 163.8 | 179.5 | 60.9 | -177.2 | 168.4 | -173.1 | 0 | 109.4 | D205 D209 N210 T244 Y247 | D205-K207 PolarHBondContact O-N 2.85Å; D205-K207 IonicContact OD1-NZ 2.84Å; D205-K207 WeakPolarHBondContact OD2-CE 3.3Å; D205-K207 IonicContact OD2-NZ 3.77Å; D205-K207 PolarHBondContact OD2-NZ 2.86Å; K207-D209 VanDerWaalsContact C-N 3.26Å; K207-D209 HydrophobicContact CD-CB 4.18Å; K207-D209 HydrophobicContact CG-CB 4.15Å; K207-D209 PolarHBondContact O-N 3.4Å; K207-N210 VanDerWaalsContact CE-CG 3.46Å; K207-N210 WeakPolarHBondContact CE-ND2 3.47Å; K207-N210 WeakPolarHBondContact CE-OD1 3.32Å; K207-N210 HydrophobicContact CG-CB 4.1Å; K207-N210 PolarHBondContact O-N 3.37Å; K207-N210 VanDerWaalsContact O-N 3.08Å; K207-T244 VanDerWaalsContact CD-OG1 3.24Å; K207-T244 WeakPolarHBondContact CD-OG1 3.47Å; K207-T244 PolarHBondContact NZ-OG1 3.15Å; K207-Y247 HydrophobicContact CB-CD1 4.21Å; K207-Y247 HydrophobicContact CB-CD2 3.84Å; K207-Y247 HydrophobicContact CB-CE1 4.28Å; K207-Y247 HydrophobicContact CB-CE2 3.91Å; K207-Y247 HydrophobicContact CB-CG 3.99Å | ||
| 208 | P | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -60.2 | -32.7 | -176.5 | -22.4 | 34.9 | 0 | 0 | 0 | 113.6 | M166 L167 L170 N210 V211 Y247 V275 E278 | M166-P208 HydrophobicContact CB-CB 4.12Å; M166-P208 WeakPolarHBondContact CB-O 3.44Å; M166-P208 HydrophobicContact CG-CB 4.2Å; M166-P208 PolarHBondContact N-O 2.96Å; L167-P208 HydrophobicContact CB-CB 3.97Å; L167-P208 HydrophobicContact CD1-CB 4.4Å; L167-P208 PolarHBondContact N-O 2.96Å; L170-P208 HydrophobicContact CD1-CB 3.73Å; L170-P208 HydrophobicContact CD1-CG 3.66Å; P208-N210 VanDerWaalsContact C-N 3.25Å; P208-N210 PolarHBondContact O-N 3.02Å; P208-V211 PolarHBondContact O-N 2.99Å; P208-Y247 WeakPolarHBondContact CD-OH 3.2Å; P208-Y247 HydrophobicContact CG-CE1 4.33Å; P208-V275 HydrophobicContact CG-CG1 4.28Å; P208-V275 HydrophobicContact CG-CG2 4.31Å; P208-E278 VanDerWaalsContact CG-OE2 3.25Å; P208-E278 WeakPolarHBondContact CG-OE2 3.34Å |
| 209 | D | 90.8 | Very high | 93.9 | Very high | 62 Ų | 62 | 17.5 Ų | 17.5 | 33% | 0.332 | 10% | 0.104 | S | C | . | . | G | 310 helix | trans | -60.5 | -33.5 | 176.8 | -45.9 | -120.9 | 0 | 0 | 0 | 113.2 | L167 K207 V211 | L167-D209 VanDerWaalsContact CD2-OD1 3.25Å; L167-D209 WeakPolarHBondContact CD2-OD1 3.47Å; K207-D209 VanDerWaalsContact C-N 3.26Å; K207-D209 HydrophobicContact CD-CB 4.18Å; K207-D209 HydrophobicContact CG-CB 4.15Å; K207-D209 PolarHBondContact O-N 3.4Å; D209-V211 VanDerWaalsContact C-N 3.35Å |
| 210 | N | 93.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 15.9 Ų | 15.9 | 6% | 0.059 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -91.7 | 0.8 | -175.8 | -72.8 | -7.1 | 0 | 0 | 0 | 112.4 | D205 K207 P208 A222 | D205-N210 PolarHBondContact O-ND2 3.44Å; D205-N210 PolarHBondContact OD2-ND2 2.88Å; K207-N210 VanDerWaalsContact CE-CG 3.46Å; K207-N210 WeakPolarHBondContact CE-ND2 3.47Å; K207-N210 WeakPolarHBondContact CE-OD1 3.32Å; K207-N210 HydrophobicContact CG-CB 4.1Å; K207-N210 PolarHBondContact O-N 3.37Å; K207-N210 VanDerWaalsContact O-N 3.08Å; P208-N210 VanDerWaalsContact C-N 3.25Å; P208-N210 PolarHBondContact O-N 3.02Å; N210-A222 PolarHBondContact O-N 3.42Å |
| 211 | V | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 103.7 | 174.5 | -175.9 | 0 | 0 | 0 | 0 | 108 | D165 M166 M189 P208 D209 I219 L221 | D165-V211 CarbonylContact C-O 3.55Å; D165-V211 WeakPolarHBondContact CA-O 3.43Å; M166-V211 HydrophobicContact CB-CB 3.92Å; M166-V211 HydrophobicContact CB-CG1 4.22Å; M166-V211 HydrophobicContact CE-CB 4.35Å; M166-V211 HydrophobicContact CE-CG1 3.63Å; M166-V211 PolarHBondContact N-O 2.95Å; M166-V211 HydrophobicContact SD-CB 4.34Å; M166-V211 HydrophobicContact SD-CG1 4.25Å; M189-V211 HydrophobicContact CE-CG2 3.8Å; M189-V211 HydrophobicContact CG-CG1 4.5Å; M189-V211 HydrophobicContact SD-CG2 4.34Å; P208-V211 PolarHBondContact O-N 2.99Å; D209-V211 VanDerWaalsContact C-N 3.35Å; V211-I219 HydrophobicContact CG1-CB 3.73Å; V211-I219 HydrophobicContact CG1-CD1 3.87Å; V211-I219 HydrophobicContact CG1-CG1 4.36Å; V211-I219 HydrophobicContact CG1-CG2 3.8Å; V211-L221 HydrophobicContact CG2-CD2 3.94Å |
| 212 | L | 95.8 | Very high | 94.4 | Very high | 26 Ų | 26 | 15 Ų | 15 | 14% | 0.136 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 150.8 | -177.8 | -56.2 | -177.3 | 0 | 0 | 0 | 111.7 | Y161 G164 D165 I219 V220 A222 F375 | Y161-L212 HydrophobicContact CD2-CB 4.49Å; Y161-L212 HydrophobicContact CD2-CD1 3.77Å; Y161-L212 HydrophobicContact CG-CB 4.29Å; Y161-L212 HydrophobicContact CG-CD1 4.29Å; G164-L212 CarbonylContact O-C 3.49Å; G164-L212 WeakPolarHBondContact O-CA 3.16Å; D165-L212 HydrophobicContact CB-CD2 3.88Å; L212-I219 CarbonylContact O-C 3.56Å; L212-I219 VanDerWaalsContact O-CA 3.25Å; L212-I219 WeakPolarHBondContact O-CA 3.47Å; L212-V220 HydrophobicContact CB-CG2 3.86Å; L212-V220 PolarHBondContact N-O 2.87Å; L212-V220 PolarHBondContact O-N 3.2Å; L212-A222 HydrophobicContact CD1-CB 3.49Å; L212-A222 VanDerWaalsContact CD1-CB 3.49Å; L212-A222 HydrophobicContact CG-CB 3.72Å; L212-F375 HydrophobicContact CD2-CE1 4.48Å |
| 213 | L | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.4 | 177.8 | -75.7 | 118.2 | 0 | 0 | 0 | 111.8 | G163 G164 M169 Y185 | G163-L213 WeakPolarHBondContact CA-O 3.24Å; G163-L213 PolarHBondContact N-O 3.39Å; G164-L213 PolarHBondContact O-N 3.39Å; M169-L213 HydrophobicContact CB-CD1 4.38Å; M169-L213 HydrophobicContact CE-CD1 3.7Å; M169-L213 HydrophobicContact CE-CD2 3.19Å; M169-L213 HydrophobicContact CE-CG 4.02Å; Y185-L213 HydrophobicContact CE1-CD2 4.21Å |
| 214 | Q | 93.5 | Very high | 94.1 | Very high | 35 Ų | 35 | 17.4 Ų | 17.4 | 16% | 0.164 | 10% | 0.1 | C | C | . | . | trans | -71.9 | 162 | 165.1 | -65 | 178.7 | -9.9 | 0 | 0 | 110.5 | Y161 S216 G217 H218 V220 P364 | Y161-Q214 HydrophobicContact CD1-CG 3.79Å; Y161-Q214 HydrophobicContact CE1-CG 3.98Å; Q214-S216 VanDerWaalsContact CB-OG 3.32Å; Q214-S216 WeakPolarHBondContact CB-OG 3.28Å; Q214-S216 PolarHBondContact O-N 3.31Å; Q214-S216 VanDerWaalsContact O-N 3.14Å; Q214-S216 PolarHBondContact OE1-OG 2.82Å; Q214-G217 PolarHBondContact O-N 2.86Å; Q214-H218 WeakPolarHBondContact CB-O 3.29Å; Q214-H218 PolarHBondContact N-O 2.92Å; Q214-V220 HydrophobicContact CG-CG1 4.29Å; Q214-P364 WeakPolarHBondContact O-CG 3.3Å | ||
| 215 | S | 91.7 | Very high | 93.8 | Very high | 71 Ų | 71 | 17.8 Ų | 17.8 | 50% | 0.497 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.6 | 171.2 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | N162 G217 | N162-S215 WeakPolarHBondContact OD1-CB 3.31Å; S215-G217 VanDerWaalsContact C-N 3.31Å |
| 216 | S | 92.9 | Very high | 93.5 | Very high | 46 Ų | 46 | 17.8 Ų | 17.8 | 32% | 0.322 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -17.1 | 172 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | Q214 H218 P360 | Q214-S216 VanDerWaalsContact CB-OG 3.32Å; Q214-S216 WeakPolarHBondContact CB-OG 3.28Å; Q214-S216 PolarHBondContact O-N 3.31Å; Q214-S216 VanDerWaalsContact O-N 3.14Å; Q214-S216 PolarHBondContact OE1-OG 2.82Å; S216-H218 PolarHBondContact OG-CD2 2.79Å; S216-P360 WeakPolarHBondContact O-CD 3.45Å; S216-P360 WeakPolarHBondContact O-CG 3.11Å |
| 217 | G | 93.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 92.5 | -4.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y185 Q214 S215 P360 Y362 | Y185-G217 WeakPolarHBondContact CE1-O 3.46Å; Y185-G217 PolarHBondContact OH-O 2.82Å; Q214-G217 PolarHBondContact O-N 2.86Å; S215-G217 VanDerWaalsContact C-N 3.31Å; G217-P360 VanDerWaalsContact C-CG 3.48Å; G217-Y362 WeakPolarHBondContact CA-O 3.09Å |
| 218 | H | 97 | Very high | 93 | Very high | 11 Ų | 11 | 17.1 Ų | 17.1 | 5% | 0.051 | 10% | 0.104 | C | C | . | . | trans | -76.3 | 150.3 | 174.1 | -69.1 | -72.4 | 0 | 0 | 0 | 111.2 | E188 Q214 S216 H356 Q358 | E188-H218 IonicContact OE1-CE1 3.02Å; E188-H218 IonicContact OE1-CG 2.79Å; E188-H218 IonicContact OE1-ND1 2.72Å; E188-H218 PolarHBondContact OE1-ND1 2.89Å; Q214-H218 WeakPolarHBondContact CB-O 3.29Å; Q214-H218 PolarHBondContact N-O 2.92Å; S216-H218 PolarHBondContact OG-CD2 2.79Å; H218-H356 AromaticContact CD2-CE1 3.63Å; H218-H356 AromaticContact CD2-ND1 3.35Å; H218-H356 PolarHBondContact CD2-ND1 3.38Å; H218-H356 AromaticContact CE1-ND1 3.55Å; H218-H356 PolarHBondContact CE1-O 3.07Å; H218-H356 AromaticContact CG-CE1 3.69Å; H218-H356 AromaticContact CG-ND1 3.38Å; H218-H356 AromaticContact ND1-ND1 3.49Å; H218-H356 PolarHBondContact ND1-ND1 2.93Å; H218-H356 AromaticContact NE2-ND1 3.46Å; H218-H356 PolarHBondContact NE2-ND1 2.95Å; H218-H356 PolarHBondContact NE2-O 3.48Å; H218-H356 VanDerWaalsContact NE2-O 3.14Å; H218-Q358 PolarHBondContact CE1-O 3.32Å; H218-Q358 PolarHBondContact NE2-O 3.39Å | ||
| 219 | I | 97.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 155.9 | -178.8 | 67 | 123.9 | 0 | 0 | 0 | 113.7 | M166 Y185 E188 M189 A192 V211 L212 | M166-I219 HydrophobicContact CE-CG2 4.04Å; Y185-I219 HydrophobicContact CD1-CG2 3.54Å; Y185-I219 HydrophobicContact CE1-CG2 3.75Å; E188-I219 HydrophobicContact CB-CD1 3.98Å; E188-I219 HydrophobicContact CB-CG1 3.47Å; E188-I219 VanDerWaalsContact CB-CG1 3.47Å; E188-I219 HydrophobicContact CG-CG1 4.43Å; E188-I219 VanDerWaalsContact OE2-CG1 3.26Å; E188-I219 WeakPolarHBondContact OE2-CG1 3.19Å; E188-I219 PolarHBondContact OE2-N 2.97Å; M189-I219 HydrophobicContact CB-CD1 4.44Å; M189-I219 HydrophobicContact CG-CD1 3.8Å; A192-I219 HydrophobicContact CB-CD1 4.17Å; V211-I219 HydrophobicContact CG1-CB 3.73Å; V211-I219 HydrophobicContact CG1-CD1 3.87Å; V211-I219 HydrophobicContact CG1-CG1 4.36Å; V211-I219 HydrophobicContact CG1-CG2 3.8Å; L212-I219 CarbonylContact O-C 3.56Å; L212-I219 VanDerWaalsContact O-CA 3.25Å; L212-I219 WeakPolarHBondContact O-CA 3.47Å |
| 220 | V | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 144.6 | 163.6 | -61.2 | 0 | 0 | 0 | 0 | 109.2 | W140 Y161 L212 Q214 | W140-V220 CarbonylContact O-C 3.58Å; W140-V220 WeakPolarHBondContact O-CA 3.45Å; Y161-V220 HydrophobicContact CD1-CG2 3.76Å; Y161-V220 HydrophobicContact CD2-CG2 4.06Å; Y161-V220 HydrophobicContact CE1-CB 4.39Å; Y161-V220 HydrophobicContact CE1-CG1 3.95Å; Y161-V220 HydrophobicContact CE1-CG2 3.6Å; Y161-V220 HydrophobicContact CE2-CG2 3.91Å; Y161-V220 HydrophobicContact CG-CG2 3.99Å; L212-V220 HydrophobicContact CB-CG2 3.86Å; L212-V220 PolarHBondContact N-O 2.87Å; L212-V220 PolarHBondContact O-N 3.2Å; Q214-V220 HydrophobicContact CG-CG1 4.29Å |
| 221 | L | 97.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 138.2 | 169.1 | -67.1 | 174.5 | 0 | 0 | 0 | 110.4 | W140 L141 A142 A192 I193 I206 V211 F224 | W140-L221 PolarHBondContact O-N 3.25Å; L141-L221 HydrophobicContact CD2-CB 3.97Å; L141-L221 HydrophobicContact CD2-CD1 4.25Å; A142-L221 WeakPolarHBondContact CB-O 3.31Å; A142-L221 PolarHBondContact N-O 2.8Å; A192-L221 VanDerWaalsContact C-CD1 3.47Å; A192-L221 HydrophobicContact CB-CD1 3.58Å; A192-L221 HydrophobicContact CB-CG 3.65Å; I193-L221 HydrophobicContact CG1-CD1 4.04Å; I206-L221 HydrophobicContact CD1-CD1 4.28Å; I206-L221 HydrophobicContact CD1-CD2 4.11Å; V211-L221 HydrophobicContact CG2-CD2 3.94Å; L221-F224 HydrophobicContact CB-CE1 4.36Å; L221-F224 VanDerWaalsContact O-CZ 3.3Å; L221-F224 WeakPolarHBondContact O-CZ 3.28Å |
| 222 | A | 93.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 7% | 0.066 | 18% | 0.183 | C | C | . | . | trans | -132.7 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | A142 H203 N210 L212 | A142-A222 HydrophobicContact CB-CB 4.09Å; H203-A222 PolarHBondContact NE2-O 3.29Å; N210-A222 PolarHBondContact O-N 3.42Å; L212-A222 HydrophobicContact CD1-CB 3.49Å; L212-A222 VanDerWaalsContact CD1-CB 3.49Å; L212-A222 HydrophobicContact CG-CB 3.72Å | ||
| 223 | D | 89.5 | Confident | 91.1 | Very high | 49 Ų | 49 | 36.6 Ų | 36.6 | 26% | 0.262 | 20% | 0.203 | S | C | . | . | trans | 57.9 | 75 | -177.8 | -159.3 | 3.1 | 0 | 0 | 0 | 115.1 | K107 H203 G225 | K107-D223 IonicContact NZ-OD1 3.74Å; K107-D223 PolarHBondContact NZ-OD1 3.43Å; H203-D223 PolarHBondContact CE1-O 2.9Å; H203-D223 VanDerWaalsContact CE1-O 3.32Å; D223-G225 PolarHBondContact O-N 3.08Å; D223-G225 PolarHBondContact OD1-N 3.36Å | ||
| 224 | F | 91.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -85.3 | 13.2 | 177.8 | -50.2 | -68.9 | 0 | 0 | 0 | 113.3 | E126 V129 M130 L141 A142 L196 L221 S226 C227 | E126-F224 HydrophobicContact CB-CB 4.18Å; E126-F224 HydrophobicContact CG-CB 4.03Å; V129-F224 HydrophobicContact CB-CB 4.34Å; V129-F224 HydrophobicContact CB-CG 4.28Å; V129-F224 HydrophobicContact CG1-CB 4.24Å; V129-F224 HydrophobicContact CG1-CD1 3.7Å; V129-F224 HydrophobicContact CG1-CD2 4Å; V129-F224 HydrophobicContact CG1-CE1 4Å; V129-F224 HydrophobicContact CG1-CE2 4.27Å; V129-F224 HydrophobicContact CG1-CG 3.68Å; V129-F224 HydrophobicContact CG1-CZ 4.27Å; M130-F224 HydrophobicContact CG-CD2 3.49Å; M130-F224 VanDerWaalsContact CG-CD2 3.49Å; M130-F224 HydrophobicContact CG-CE2 3.59Å; M130-F224 HydrophobicContact SD-CD2 4.13Å; M130-F224 HydrophobicContact SD-CE2 4.32Å; L141-F224 HydrophobicContact CB-CZ 3.94Å; L141-F224 HydrophobicContact CD2-CE1 3.95Å; L141-F224 HydrophobicContact CD2-CZ 3.95Å; L141-F224 HydrophobicContact CG-CZ 4.41Å; A142-F224 HydrophobicContact CB-CE2 4.22Å; L196-F224 HydrophobicContact CD1-CD1 4.39Å; L196-F224 HydrophobicContact CD1-CE1 4.43Å; L221-F224 HydrophobicContact CB-CE1 4.36Å; L221-F224 VanDerWaalsContact O-CZ 3.3Å; L221-F224 WeakPolarHBondContact O-CZ 3.28Å; F224-S226 PolarHBondContact O-N 3.37Å; F224-S226 VanDerWaalsContact O-N 3.12Å; F224-C227 HydrophobicContact CB-CB 4.31Å; F224-C227 VanDerWaalsContact O-CB 3.26Å; F224-C227 WeakPolarHBondContact O-CB 3.35Å; F224-C227 PolarHBondContact O-N 3.34Å |
| 225 | G | 86.3 | Confident | 90.4 | Very high | 11 Ų | 11 | 39 Ų | 39 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -62.2 | -19.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E126 D223 | E126-G225 WeakPolarHBondContact OE2-CA 3.39Å; D223-G225 PolarHBondContact O-N 3.08Å; D223-G225 PolarHBondContact OD1-N 3.36Å |
| 226 | S | 86.2 | Confident | 90.1 | Very high | 11 Ų | 11 | 36 Ų | 36 | 8% | 0.077 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -97.3 | -3.3 | 176.1 | -62 | 0 | 0 | 0 | 0 | 113.5 | H203 R204 F224 V242 | H203-S226 CarbonylContact O-C 3.43Å; R204-S226 PolarHBondContact NE-O 3.42Å; R204-S226 PolarHBondContact NH2-O 3.12Å; F224-S226 PolarHBondContact O-N 3.37Å; F224-S226 VanDerWaalsContact O-N 3.12Å; S226-V242 WeakPolarHBondContact OG-CG1 3.36Å |
| 227 | C | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -66.6 | 148.3 | -173.9 | -75.1 | 0 | 0 | 0 | 0 | 113 | V129 V202 F224 | V129-C227 HydrophobicContact CG2-CB 4.21Å; V202-C227 VanDerWaalsContact O-CA 3.23Å; V202-C227 WeakPolarHBondContact O-CA 3.41Å; F224-C227 HydrophobicContact CB-CB 4.31Å; F224-C227 VanDerWaalsContact O-CB 3.26Å; F224-C227 WeakPolarHBondContact O-CB 3.35Å; F224-C227 PolarHBondContact O-N 3.34Å | ||
| 228 | L | 89.5 | Confident | 88.5 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 144 | 170.7 | -71.6 | 176.6 | 0 | 0 | 0 | 111.6 | Y201 V202 R204 V236 N238 | Y201-L228 CarbonylContact C-O 3.6Å; Y201-L228 VanDerWaalsContact CA-O 3.24Å; Y201-L228 WeakPolarHBondContact CA-O 3.49Å; V202-L228 PolarHBondContact N-O 3.43Å; V202-L228 PolarHBondContact O-N 3.14Å; V202-L228 VanDerWaalsContact O-N 3.09Å; R204-L228 VanDerWaalsContact NH1-CD1 3.27Å; L228-V236 HydrophobicContact CB-CG1 3.82Å; L228-V236 HydrophobicContact CB-CG2 4.35Å; L228-V236 HydrophobicContact CD1-CG1 3.42Å; L228-V236 VanDerWaalsContact CD1-CG1 3.42Å; L228-V236 HydrophobicContact CG-CG1 4.26Å; L228-N238 HydrophobicContact CD1-CB 3.6Å; L228-N238 VanDerWaalsContact CD1-ND2 3.28Å; L228-N238 WeakPolarHBondContact CD1-ND2 3.35Å |
| 229 | K | 90 | Very high | 87 | Confident | 120 Ų | 120 | 47 Ų | 47 | 52% | 0.522 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 130.7 | 174.8 | -168.1 | 178.3 | 178 | -176.8 | 0 | 110 | G200 Y201 | G200-K229 CarbonylContact O-C 3.59Å; G200-K229 WeakPolarHBondContact O-CA 3.49Å; Y201-K229 HydrophobicContact CD1-CB 4.1Å; Y201-K229 HydrophobicContact CE1-CB 3.81Å; Y201-K229 HydrophobicContact CE1-CG 4.23Å |
| 230 | L | 90.3 | Very high | 85.7 | Confident | 29 Ų | 29 | 47.9 Ų | 47.9 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 134.3 | 171.2 | -72.9 | 165.1 | 0 | 0 | 0 | 109.9 | G200 V202 G234 V236 V265 | G200-L230 WeakPolarHBondContact O-CB 3.03Å; G200-L230 PolarHBondContact O-N 3.23Å; V202-L230 HydrophobicContact CG2-CD1 4.21Å; V202-L230 HydrophobicContact CG2-CD2 3.31Å; V202-L230 HydrophobicContact CG2-CG 3.71Å; L230-G234 WeakPolarHBondContact CD2-O 2.88Å; L230-V236 HydrophobicContact CD2-CG2 3.99Å; L230-V265 HydrophobicContact CD1-CG1 3.68Å; L230-V265 HydrophobicContact CD2-CG1 4.16Å |
| 231 | G | 86.6 | Confident | 84 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 37% | 0.371 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 172 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112 | N233 G234 L235 | G231-N233 PolarHBondContact O-N 2.78Å; G231-G234 PolarHBondContact O-N 3.42Å; G231-L235 PolarHBondContact N-O 3.25Å |
| 232 | E | 81 | Confident | 82.4 | Confident | 216 Ų | 216 | 49.4 Ų | 49.4 | 100% | 1.009 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.5 | 178.4 | -64 | 179.1 | 176.1 | 0 | 0 | 113.6 | G234 | E232-G234 VanDerWaalsContact C-N 3.33Š|
| 233 | N | 84.4 | Confident | 81.2 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 57% | 0.567 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 4.3 | 177.4 | 65.1 | -10.6 | 0 | 0 | 0 | 113.9 | G231 L235 | G231-N233 PolarHBondContact O-N 2.78Å; N233-L235 VanDerWaalsContact C-N 3.25Å; N233-L235 PolarHBondContact O-N 3.48Å; N233-L235 PolarHBondContact OD1-N 3.08Å; N233-L235 VanDerWaalsContact OD1-N 3.08Å; N233-L235 PolarHBondContact OD1-O 2.78Å |
| 234 | G | 84.8 | Confident | 80.9 | Confident | 36 Ų | 36 | 49.5 Ų | 49.5 | 37% | 0.371 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 71.4 | 16.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | L230 G231 E232 | L230-G234 WeakPolarHBondContact CD2-O 2.88Å; G231-G234 PolarHBondContact O-N 3.42Å; E232-G234 VanDerWaalsContact C-N 3.33Å |
| 235 | L | 88.2 | Confident | 80.6 | Confident | 50 Ų | 50 | 51.1 Ų | 51.1 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 154.2 | 178.1 | -61.2 | 173.3 | 0 | 0 | 0 | 110.9 | G231 N233 Y263 | G231-L235 PolarHBondContact N-O 3.25Å; N233-L235 VanDerWaalsContact C-N 3.25Å; N233-L235 PolarHBondContact O-N 3.48Å; N233-L235 PolarHBondContact OD1-N 3.08Å; N233-L235 VanDerWaalsContact OD1-N 3.08Å; N233-L235 PolarHBondContact OD1-O 2.78Å; L235-Y263 WeakPolarHBondContact CA-O 3.35Å |
| 236 | V | 85.5 | Confident | 80.9 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 139.9 | 173.6 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | V202 L228 L230 N238 T262 Y263 | V202-V236 HydrophobicContact CG2-CG2 4.01Å; L228-V236 HydrophobicContact CB-CG1 3.82Å; L228-V236 HydrophobicContact CB-CG2 4.35Å; L228-V236 HydrophobicContact CD1-CG1 3.42Å; L228-V236 VanDerWaalsContact CD1-CG1 3.42Å; L228-V236 HydrophobicContact CG-CG1 4.26Å; L230-V236 HydrophobicContact CD2-CG2 3.99Å; V236-N238 HydrophobicContact CG1-CB 4.31Å; V236-T262 VanDerWaalsContact O-CA 3.29Å; V236-T262 WeakPolarHBondContact O-CA 3.21Å; V236-Y263 HydrophobicContact CB-CE2 4.21Å; V236-Y263 HydrophobicContact CG1-CE2 4.49Å; V236-Y263 PolarHBondContact N-O 2.76Å; V236-Y263 PolarHBondContact O-N 3.29Å |
| 237 | K | 77.9 | Confident | 81.3 | Confident | 171 Ų | 171 | 52.3 Ų | 52.3 | 74% | 0.743 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 102.6 | 169.5 | -73.8 | -178.6 | 179.9 | -175.1 | 0 | 108.2 | T262 | K237-T262 HydrophobicContact CD-CG2 4.21Å; K237-T262 HydrophobicContact CG-CG2 3.42Å; K237-T262 VanDerWaalsContact CG-CG2 3.42Å |
| 238 | N | 73.3 | Confident | 81.5 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 17% | 0.171 | 29% | 0.288 | C | S | . | . | trans | -146.1 | 135.4 | 173.3 | -167.1 | -27.7 | 0 | 0 | 0 | 109.5 | L228 V236 T240 | L228-N238 HydrophobicContact CD1-CB 3.6Å; L228-N238 VanDerWaalsContact CD1-ND2 3.28Å; L228-N238 WeakPolarHBondContact CD1-ND2 3.35Å; V236-N238 HydrophobicContact CG1-CB 4.31Å; N238-T240 PolarHBondContact OD1-N 3.05Å; N238-T240 PolarHBondContact OD1-OG1 2.83Å | ||
| 239 | N | 67 | Low | 81.7 | Confident | 85 Ų | 85 | 51.7 Ų | 51.7 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | trans | -93.8 | 1.5 | -176.7 | -63.8 | 1.6 | 0 | 0 | 0 | 112.6 | S256 G259 | N239-S256 VanDerWaalsContact O-CA 3.3Å; N239-S256 WeakPolarHBondContact O-CA 3.5Å; N239-S256 WeakPolarHBondContact O-CB 3.39Å; N239-G259 PolarHBondContact ND2-O 2.9Å; N239-G259 PolarHBondContact OD1-O 3.32Å; N239-G259 VanDerWaalsContact OD1-O 3.12Å | ||
| 240 | T | 68.4 | Low | 81.8 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 13% | 0.129 | 26% | 0.26 | C | S | . | . | trans | -94 | 124.4 | 176 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | D119 N238 V242 | D119-T240 HydrophobicContact CB-CG2 3.23Å; D119-T240 WeakPolarHBondContact O-CG2 3.14Å; D119-T240 PolarHBondContact O-OG1 3.26Å; N238-T240 PolarHBondContact OD1-N 3.05Å; N238-T240 PolarHBondContact OD1-OG1 2.83Å; T240-V242 PolarHBondContact O-N 3.29Å | ||
| 241 | A | 62.2 | Low | 81.8 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | trans | -70.2 | 108.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | R120 I248 L253 | R120-A241 PolarHBondContact NH2-O 3.28Å; A241-I248 HydrophobicContact CB-CD1 4.38Å; A241-L253 HydrophobicContact CB-CD2 4.48Å | ||
| 242 | V | 64.8 | Low | 82 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | trans | -126.5 | 126.9 | 172.4 | -170.9 | 0 | 0 | 0 | 0 | 106.8 | R120 S226 T240 | R120-V242 HydrophobicContact CG-CG2 3.91Å; S226-V242 WeakPolarHBondContact OG-CG1 3.36Å; T240-V242 PolarHBondContact O-N 3.29Å | ||
| 243 | G | 67.9 | Low | 82.4 | Confident | 23 Ų | 23 | 33.5 Ų | 33.5 | 24% | 0.237 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 155.4 | 155.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D205 | D205-G243 WeakPolarHBondContact OD1-CA 3.38Š|
| 244 | T | 81.7 | Confident | 82.5 | Confident | 35 Ų | 35 | 33 Ų | 33 | 22% | 0.215 | 18% | 0.182 | C | C | . | . | trans | -66.3 | 130.9 | 166.9 | -67.2 | 0 | 0 | 0 | 0 | 109.8 | D205 K207 D246 Y247 I248 | D205-T244 PolarHBondContact OD1-N 3.46Å; K207-T244 VanDerWaalsContact CD-OG1 3.24Å; K207-T244 WeakPolarHBondContact CD-OG1 3.47Å; K207-T244 PolarHBondContact NZ-OG1 3.15Å; T244-D246 VanDerWaalsContact C-N 3.27Å; T244-D246 PolarHBondContact O-N 3.01Å; T244-D246 VanDerWaalsContact O-N 3.11Å; T244-Y247 HydrophobicContact CG2-CD2 3.6Å; T244-Y247 HydrophobicContact CG2-CE2 3.8Å; T244-Y247 PolarHBondContact O-N 2.9Å; T244-Y247 VanDerWaalsContact O-N 3.08Å; T244-I248 PolarHBondContact O-N 3.48Å; T244-I248 VanDerWaalsContact O-N 3.15Å | ||
| 245 | P | 86.3 | Confident | 82.4 | Confident | 35 Ų | 35 | 31.3 Ų | 31.3 | 23% | 0.227 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -36.1 | -171 | -31 | 36.9 | 0 | 0 | 0 | 116 | Y247 I248 L291 T294 Y295 I298 | P245-Y247 VanDerWaalsContact C-N 3.33Å; P245-Y247 PolarHBondContact O-N 3.3Å; P245-I248 VanDerWaalsContact O-CG2 3.3Å; P245-I248 WeakPolarHBondContact O-CG2 3.41Å; P245-L291 HydrophobicContact CB-CD1 3.32Å; P245-L291 HydrophobicContact CG-CD1 3.29Å; P245-T294 HydrophobicContact CB-CG2 4.45Å; P245-Y295 HydrophobicContact CB-CE1 3.8Å; P245-Y295 HydrophobicContact CG-CE1 4.37Å; P245-I298 WeakPolarHBondContact O-CD1 3.3Å |
| 246 | D | 91.6 | Very high | 81.7 | Confident | 33 Ų | 33 | 30.7 Ų | 30.7 | 18% | 0.176 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -23.2 | -176.7 | -56.6 | -81.7 | 0 | 0 | 0 | 113.9 | T244 V274 T284 | T244-D246 VanDerWaalsContact C-N 3.27Å; T244-D246 PolarHBondContact O-N 3.01Å; T244-D246 VanDerWaalsContact O-N 3.11Å; D246-V274 VanDerWaalsContact O-CG1 3.29Å; D246-V274 WeakPolarHBondContact O-CG1 3.18Å; D246-T284 HydrophobicContact CB-CG2 3.97Å; D246-T284 PolarHBondContact OD1-OG1 3.11Å |
| 247 | Y | 95.9 | Very high | 81.1 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 6% | 0.055 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -10.4 | -173.8 | -51.2 | -91.5 | 0 | 0 | 0 | 113.4 | K207 P208 T244 P245 S271 V274 V275 E278 T284 | K207-Y247 HydrophobicContact CB-CD1 4.21Å; K207-Y247 HydrophobicContact CB-CD2 3.84Å; K207-Y247 HydrophobicContact CB-CE1 4.28Å; K207-Y247 HydrophobicContact CB-CE2 3.91Å; K207-Y247 HydrophobicContact CB-CG 3.99Å; P208-Y247 WeakPolarHBondContact CD-OH 3.2Å; P208-Y247 HydrophobicContact CG-CE1 4.33Å; T244-Y247 HydrophobicContact CG2-CD2 3.6Å; T244-Y247 HydrophobicContact CG2-CE2 3.8Å; T244-Y247 PolarHBondContact O-N 2.9Å; T244-Y247 VanDerWaalsContact O-N 3.08Å; P245-Y247 VanDerWaalsContact C-N 3.33Å; P245-Y247 PolarHBondContact O-N 3.3Å; Y247-S271 WeakPolarHBondContact O-CB 3.24Å; Y247-S271 PolarHBondContact O-OG 2.92Å; Y247-V274 HydrophobicContact CD1-CB 3.99Å; Y247-V274 HydrophobicContact CD1-CG1 3.43Å; Y247-V274 VanDerWaalsContact CD1-CG1 3.43Å; Y247-V274 HydrophobicContact CE1-CG1 3.91Å; Y247-V274 HydrophobicContact CG-CG1 4.12Å; Y247-V275 HydrophobicContact CD1-CG2 3.83Å; Y247-V275 HydrophobicContact CE1-CG2 3.87Å; Y247-E278 WeakPolarHBondContact CE1-OE2 3.32Å; Y247-E278 PolarHBondContact OH-OE1 2.9Å; Y247-E278 PolarHBondContact OH-OE2 2.65Å; Y247-T284 HydrophobicContact CE1-CG2 4.23Å |
| 248 | I | 93.7 | Very high | 80.4 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | trans | -64.5 | 138 | -176.6 | -162.8 | 165.2 | 0 | 0 | 0 | 110.9 | A241 T244 P245 I252 L253 W270 Y295 I298 | A241-I248 HydrophobicContact CB-CD1 4.38Å; T244-I248 PolarHBondContact O-N 3.48Å; T244-I248 VanDerWaalsContact O-N 3.15Å; P245-I248 VanDerWaalsContact O-CG2 3.3Å; P245-I248 WeakPolarHBondContact O-CG2 3.41Å; I248-I252 HydrophobicContact CD1-CB 4.43Å; I248-I252 HydrophobicContact CD1-CG2 3.78Å; I248-I252 HydrophobicContact CG1-CB 4.02Å; I248-I252 HydrophobicContact CG1-CD1 4.5Å; I248-I252 HydrophobicContact CG1-CG2 3.88Å; I248-L253 HydrophobicContact CD1-CD2 3.75Å; I248-L253 HydrophobicContact CD1-CG 4.24Å; I248-L253 HydrophobicContact CG1-CD2 4.35Å; I248-L253 HydrophobicContact CG1-CG 4.32Å; I248-L253 HydrophobicContact CG2-CD1 3.96Å; I248-L253 HydrophobicContact CG2-CD2 4.04Å; I248-L253 HydrophobicContact CG2-CG 3.96Å; I248-W270 PolarHBondContact O-NE1 2.82Å; I248-Y295 HydrophobicContact CG2-CD1 4.39Å; I248-Y295 HydrophobicContact CG2-CE1 4.11Å; I248-I298 HydrophobicContact CG2-CD1 3.92Å | ||
| 249 | S | 93.7 | Very high | 79.7 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -78.4 | 150.1 | 178.6 | 72.2 | 0 | 0 | 0 | 0 | 112.4 | E251 I252 L253 C267 | S249-E251 VanDerWaalsContact CB-CD 3.49Å; S249-E251 WeakPolarHBondContact CB-OE1 3.4Å; S249-E251 PolarHBondContact O-N 3.1Å; S249-E251 PolarHBondContact OG-OE1 3.41Å; S249-I252 PolarHBondContact O-N 3.37Å; S249-I252 VanDerWaalsContact O-N 3.15Å; S249-I252 WeakPolarHBondContact OG-CD1 3.31Å; S249-I252 VanDerWaalsContact OG-CG1 3.26Å; S249-I252 WeakPolarHBondContact OG-CG1 3.43Å; S249-I252 PolarHBondContact OG-N 2.97Å; S249-L253 PolarHBondContact O-N 3.34Å; S249-C267 WeakPolarHBondContact OG-CB 3.07Å | ||
| 250 | P | 92.8 | Very high | 79.3 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.2 | -34.9 | 177.7 | -22.2 | 29.9 | 0 | 0 | 0 | 112.6 | L253 R254 W270 I298 M299 F301 | P250-L253 PolarHBondContact O-N 3.44Å; P250-R254 WeakPolarHBondContact O-CB 3.44Å; P250-R254 VanDerWaalsContact O-CG 3.27Å; P250-R254 WeakPolarHBondContact O-CG 3.09Å; P250-R254 PolarHBondContact O-N 3.33Å; P250-W270 VanDerWaalsContact CD-CE2 3.46Å; P250-W270 HydrophobicContact CG-CD2 4.44Å; P250-W270 HydrophobicContact CG-CE3 4.33Å; P250-W270 HydrophobicContact CG-CH2 3.53Å; P250-W270 HydrophobicContact CG-CZ2 3.7Å; P250-W270 HydrophobicContact CG-CZ3 3.88Å; P250-I298 HydrophobicContact CB-CG2 4.3Å; P250-I298 HydrophobicContact CG-CG2 3.79Å; P250-M299 HydrophobicContact CB-SD 4.49Å; P250-F301 HydrophobicContact CG-CD1 3.94Å; P250-F301 HydrophobicContact CG-CE1 4.33Å |
| 251 | E | 90.9 | Very high | 79.3 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73.6 | -26.3 | 179.6 | 64.5 | -85.4 | -165.9 | 0 | 0 | 114.7 | S249 A255 C267 R332 | S249-E251 VanDerWaalsContact CB-CD 3.49Å; S249-E251 WeakPolarHBondContact CB-OE1 3.4Å; S249-E251 PolarHBondContact O-N 3.1Å; S249-E251 PolarHBondContact OG-OE1 3.41Å; E251-A255 VanDerWaalsContact O-CB 3.26Å; E251-A255 WeakPolarHBondContact O-CB 3.02Å; E251-A255 PolarHBondContact O-N 3.28Å; E251-C267 HydrophobicContact CG-CB 4.38Å; E251-C267 WeakPolarHBondContact OE1-CA 3.47Å; E251-C267 WeakPolarHBondContact OE1-CB 3.39Å; E251-R332 IonicContact OE1-CZ 3.85Å; E251-R332 IonicContact OE1-NH1 2.68Å; E251-R332 PolarHBondContact OE1-NH1 2.98Å; E251-R332 IonicContact OE1-NH2 3.04Å; E251-R332 IonicContact OE2-CZ 3.78Å; E251-R332 IonicContact OE2-NH1 2.7Å; E251-R332 IonicContact OE2-NH2 3.33Å; E251-R332 PolarHBondContact OE2-NH2 2.83Å |
| 252 | I | 89.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.9 | -44.4 | 170 | -68.8 | 169.5 | 0 | 0 | 0 | 109.1 | R204 I248 S249 A255 S256 Y263 C267 | R204-I252 HydrophobicContact CB-CD1 4.11Å; R204-I252 HydrophobicContact CG-CD1 4.39Å; I248-I252 HydrophobicContact CD1-CB 4.43Å; I248-I252 HydrophobicContact CD1-CG2 3.78Å; I248-I252 HydrophobicContact CG1-CB 4.02Å; I248-I252 HydrophobicContact CG1-CD1 4.5Å; I248-I252 HydrophobicContact CG1-CG2 3.88Å; S249-I252 PolarHBondContact O-N 3.37Å; S249-I252 VanDerWaalsContact O-N 3.15Å; S249-I252 WeakPolarHBondContact OG-CD1 3.31Å; S249-I252 VanDerWaalsContact OG-CG1 3.26Å; S249-I252 WeakPolarHBondContact OG-CG1 3.43Å; S249-I252 PolarHBondContact OG-N 2.97Å; I252-A255 PolarHBondContact O-N 3.45Å; I252-S256 PolarHBondContact O-N 3.33Å; I252-S256 VanDerWaalsContact O-N 3.16Å; I252-Y263 HydrophobicContact CG1-CD1 4.31Å; I252-Y263 HydrophobicContact CG1-CD2 4.07Å; I252-Y263 HydrophobicContact CG1-CE1 4.24Å; I252-Y263 HydrophobicContact CG1-CE2 4Å; I252-Y263 HydrophobicContact CG1-CG 4.23Å; I252-C267 HydrophobicContact CD1-CB 3.87Å; I252-C267 HydrophobicContact CG1-CB 4.14Å |
| 253 | L | 89.1 | Confident | 81.6 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -47.9 | 175.4 | -66.4 | 176.3 | 0 | 0 | 0 | 111.3 | A241 I248 S249 P250 A255 S256 E257 Y295 I298 M299 | A241-L253 HydrophobicContact CB-CD2 4.48Å; I248-L253 HydrophobicContact CD1-CD2 3.75Å; I248-L253 HydrophobicContact CD1-CG 4.24Å; I248-L253 HydrophobicContact CG1-CD2 4.35Å; I248-L253 HydrophobicContact CG1-CG 4.32Å; I248-L253 HydrophobicContact CG2-CD1 3.96Å; I248-L253 HydrophobicContact CG2-CD2 4.04Å; I248-L253 HydrophobicContact CG2-CG 3.96Å; S249-L253 PolarHBondContact O-N 3.34Å; P250-L253 PolarHBondContact O-N 3.44Å; L253-A255 VanDerWaalsContact C-N 3.3Å; L253-A255 PolarHBondContact O-N 3.2Å; L253-S256 WeakPolarHBondContact O-CB 3.48Å; L253-S256 PolarHBondContact O-N 3.32Å; L253-S256 PolarHBondContact O-OG 3.45Å; L253-E257 PolarHBondContact O-N 3.24Å; L253-Y295 HydrophobicContact CD1-CD1 3.86Å; L253-Y295 HydrophobicContact CD1-CG 4.26Å; L253-Y295 HydrophobicContact CD2-CD1 3.88Å; L253-Y295 HydrophobicContact CD2-CE1 3.86Å; L253-Y295 HydrophobicContact CD2-CG 4.27Å; L253-I298 HydrophobicContact CD1-CB 4.24Å; L253-I298 HydrophobicContact CD1-CG2 3.83Å; L253-M299 HydrophobicContact CB-CE 3.4Å; L253-M299 VanDerWaalsContact CB-CE 3.4Å; L253-M299 HydrophobicContact CB-SD 3.98Å; L253-M299 HydrophobicContact CD1-CE 4.48Å; L253-M299 HydrophobicContact CD1-CG 4.34Å; L253-M299 HydrophobicContact CD1-SD 4.4Å |
| 254 | R | 87.1 | Confident | 82.8 | Confident | 96 Ų | 96 | 32.3 Ų | 32.3 | 36% | 0.362 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.2 | -36.5 | 177.2 | -71.5 | 173.3 | -171.7 | 171.5 | 2.5 | 112.2 | P250 S256 E257 D258 M299 | P250-R254 WeakPolarHBondContact O-CB 3.44Å; P250-R254 VanDerWaalsContact O-CG 3.27Å; P250-R254 WeakPolarHBondContact O-CG 3.09Å; P250-R254 PolarHBondContact O-N 3.33Å; R254-S256 PolarHBondContact O-N 3.16Å; R254-E257 PolarHBondContact O-N 3.33Å; R254-D258 VanDerWaalsContact O-CB 3.29Å; R254-D258 WeakPolarHBondContact O-CB 3.39Å; R254-D258 PolarHBondContact O-N 3.23Å; R254-M299 HydrophobicContact CG-CE 3.73Å; R254-M299 HydrophobicContact CG-SD 3.73Å |
| 255 | A | 81.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -32.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | E251 I252 L253 G259 Y263 | E251-A255 VanDerWaalsContact O-CB 3.26Å; E251-A255 WeakPolarHBondContact O-CB 3.02Å; E251-A255 PolarHBondContact O-N 3.28Å; I252-A255 PolarHBondContact O-N 3.45Å; L253-A255 VanDerWaalsContact C-N 3.3Å; L253-A255 PolarHBondContact O-N 3.2Å; A255-G259 PolarHBondContact O-N 3Å; A255-Y263 HydrophobicContact CB-CD1 3.77Å; A255-Y263 HydrophobicContact CB-CE1 3.85Å |
| 256 | S | 73.6 | Confident | 83.9 | Confident | 37 Ų | 37 | 30.6 Ų | 30.6 | 26% | 0.259 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -73 | -37.6 | 173.8 | 74.4 | 0 | 0 | 0 | 0 | 113.8 | N239 I252 L253 R254 | N239-S256 VanDerWaalsContact O-CA 3.3Å; N239-S256 WeakPolarHBondContact O-CA 3.5Å; N239-S256 WeakPolarHBondContact O-CB 3.39Å; I252-S256 PolarHBondContact O-N 3.33Å; I252-S256 VanDerWaalsContact O-N 3.16Å; L253-S256 WeakPolarHBondContact O-CB 3.48Å; L253-S256 PolarHBondContact O-N 3.32Å; L253-S256 PolarHBondContact O-OG 3.45Å; R254-S256 PolarHBondContact O-N 3.16Å |
| 257 | E | 72.7 | Confident | 84 | Confident | 127 Ų | 127 | 29 Ų | 29 | 59% | 0.593 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -75.2 | -44.2 | 177.9 | -68.8 | 177.8 | 177.2 | 0 | 0 | 112.6 | L253 R254 G259 M299 | L253-E257 PolarHBondContact O-N 3.24Å; R254-E257 PolarHBondContact O-N 3.33Å; E257-G259 VanDerWaalsContact C-N 3.35Å; E257-G259 PolarHBondContact O-N 3.4Å; E257-M299 VanDerWaalsContact CD-CE 3.4Å; E257-M299 HydrophobicContact CG-CE 4.43Å; E257-M299 VanDerWaalsContact OE1-CE 3.29Å; E257-M299 WeakPolarHBondContact OE1-CE 3.24Å; E257-M299 VanDerWaalsContact OE2-CE 3.27Å; E257-M299 WeakPolarHBondContact OE2-CE 3.26Å |
| 258 | D | 64.3 | Low | 84.1 | Confident | 79 Ų | 79 | 28.3 Ų | 28.3 | 42% | 0.422 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -78.6 | -19.5 | -173 | -79.4 | -37.3 | 0 | 0 | 0 | 113.2 | R254 H260 K896 | R254-D258 VanDerWaalsContact O-CB 3.29Å; R254-D258 WeakPolarHBondContact O-CB 3.39Å; R254-D258 PolarHBondContact O-N 3.23Å; D258-H260 PolarHBondContact O-N 3.03Å; D258-K896 PolarHBondContact O-NZ 3.5Å; D258-K896 IonicContact OD1-NZ 3.67Å |
| 259 | G | 59.3 | Low | 84.3 | Confident | 24 Ų | 24 | 28.3 Ų | 28.3 | 25% | 0.247 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 66.9 | -0.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N239 A255 E257 | N239-G259 PolarHBondContact ND2-O 2.9Å; N239-G259 PolarHBondContact OD1-O 3.32Å; N239-G259 VanDerWaalsContact OD1-O 3.12Å; A255-G259 PolarHBondContact O-N 3Å; E257-G259 VanDerWaalsContact C-N 3.35Å; E257-G259 PolarHBondContact O-N 3.4Å |
| 260 | H | 57.5 | Low | 84.5 | Confident | 116 Ų | 116 | 28.3 Ų | 28.3 | 54% | 0.537 | 15% | 0.151 | S | C | . | . | trans | -133.3 | 5.1 | -176.7 | -71.1 | 0.8 | 0 | 0 | 0 | 113 | D258 T262 D900 | D258-H260 PolarHBondContact O-N 3.03Å; H260-T262 PolarHBondContact O-N 3.24Å; H260-D900 IonicContact CE1-OD2 3.04Å; H260-D900 PolarHBondContact CE1-OD2 3.4Å; H260-D900 VanDerWaalsContact NE2-CG 3.34Å; H260-D900 IonicContact NE2-OD1 3.83Å; H260-D900 IonicContact NE2-OD2 3.42Å; H260-D900 PolarHBondContact NE2-OD2 3.43Å | ||
| 261 | G | 68.2 | Low | 84.7 | Confident | 16 Ų | 16 | 28.3 Ų | 28.3 | 17% | 0.165 | 15% | 0.151 | C | C | . | . | trans | -67.6 | 132.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 262 | T | 85.7 | Confident | 85.1 | Confident | 44 Ų | 44 | 28 Ų | 28 | 27% | 0.27 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 143.7 | 165.3 | 43.5 | 0 | 0 | 0 | 0 | 107.8 | V236 K237 H260 R329 | V236-T262 VanDerWaalsContact O-CA 3.29Å; V236-T262 WeakPolarHBondContact O-CA 3.21Å; K237-T262 HydrophobicContact CD-CG2 4.21Å; K237-T262 HydrophobicContact CG-CG2 3.42Å; K237-T262 VanDerWaalsContact CG-CG2 3.42Å; H260-T262 PolarHBondContact O-N 3.24Å; T262-R329 PolarHBondContact O-NH1 3.39Å |
| 263 | Y | 89.9 | Confident | 85.4 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 158.6 | 169.4 | 54.4 | -90.4 | 0 | 0 | 0 | 109.4 | R204 L235 V236 I252 A255 C267 | R204-Y263 WeakPolarHBondContact CD-OH 3.4Å; R204-Y263 HydrophobicContact CG-CE2 4.12Å; R204-Y263 PolarHBondContact NH1-OH 2.83Å; L235-Y263 WeakPolarHBondContact CA-O 3.35Å; V236-Y263 HydrophobicContact CB-CE2 4.21Å; V236-Y263 HydrophobicContact CG1-CE2 4.49Å; V236-Y263 PolarHBondContact N-O 2.76Å; V236-Y263 PolarHBondContact O-N 3.29Å; I252-Y263 HydrophobicContact CG1-CD1 4.31Å; I252-Y263 HydrophobicContact CG1-CD2 4.07Å; I252-Y263 HydrophobicContact CG1-CE1 4.24Å; I252-Y263 HydrophobicContact CG1-CE2 4Å; I252-Y263 HydrophobicContact CG1-CG 4.23Å; A255-Y263 HydrophobicContact CB-CD1 3.77Å; A255-Y263 HydrophobicContact CB-CE1 3.85Å; Y263-C267 HydrophobicContact CD2-CB 4.44Å |
| 264 | G | 92.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | -159.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E266 C267 | G264-E266 WeakPolarHBondContact CA-OE2 3.5Å; G264-E266 PolarHBondContact N-OE1 3.08Å; G264-E266 PolarHBondContact N-OE2 3.45Å; G264-E266 PolarHBondContact O-N 2.69Å; G264-E266 VanDerWaalsContact O-N 3.09Å; G264-C267 PolarHBondContact O-N 3.27Å; G264-C267 PolarHBondContact O-SG 3.44Å |
| 265 | V | 95.8 | Very high | 86.3 | Confident | 28 Ų | 28 | 23 Ų | 23 | 17% | 0.17 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -23.9 | 176.6 | -66.5 | 0 | 0 | 0 | 0 | 113.9 | H197 V202 L230 C267 D268 | H197-V265 HydrophobicContact CB-CG1 3.98Å; H197-V265 VanDerWaalsContact CE1-CB 3.49Å; H197-V265 WeakPolarHBondContact CE1-CB 3.44Å; H197-V265 PolarHBondContact CE1-O 2.97Å; H197-V265 WeakPolarHBondContact ND1-CB 3.33Å; V202-V265 HydrophobicContact CG2-CG1 4.22Å; L230-V265 HydrophobicContact CD1-CG1 3.68Å; L230-V265 HydrophobicContact CD2-CG1 4.16Å; V265-C267 PolarHBondContact O-N 2.77Å; V265-C267 VanDerWaalsContact O-N 3.16Å; V265-D268 PolarHBondContact O-N 3.49Å |
| 266 | E | 95.3 | Very high | 87 | Confident | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.028 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.1 | -22.5 | -178 | 70.5 | -77.4 | 179.9 | 0 | 0 | 114.1 | G264 D268 Y269 W270 R329 R332 R335 | G264-E266 WeakPolarHBondContact CA-OE2 3.5Å; G264-E266 PolarHBondContact N-OE1 3.08Å; G264-E266 PolarHBondContact N-OE2 3.45Å; G264-E266 PolarHBondContact O-N 2.69Å; G264-E266 VanDerWaalsContact O-N 3.09Å; E266-D268 VanDerWaalsContact C-N 3.31Å; E266-D268 PolarHBondContact O-N 3.06Å; E266-Y269 PolarHBondContact O-N 3.17Å; E266-W270 PolarHBondContact O-N 3.15Å; E266-R329 HydrophobicContact CG-CB 3.98Å; E266-R329 IonicContact OE1-CZ 3.67Å; E266-R329 IonicContact OE1-NE 2.77Å; E266-R329 PolarHBondContact OE1-NE 3.45Å; E266-R329 IonicContact OE1-NH1 2.67Å; E266-R329 IonicContact OE1-NH2 3.1Å; E266-R329 PolarHBondContact OE1-NH2 3.11Å; E266-R332 VanDerWaalsContact C-NH1 3.29Å; E266-R332 WeakPolarHBondContact O-CD 3.2Å; E266-R332 PolarHBondContact O-NH1 2.77Å; E266-R335 HydrophobicContact CB-CB 4.09Å; E266-R335 HydrophobicContact CB-CG 4.44Å |
| 267 | C | 95.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.7 | -32.6 | 178.7 | 65.8 | 0 | 0 | 0 | 0 | 112.8 | V202 S249 E251 I252 Y263 G264 V265 Y269 W270 S271 | V202-C267 WeakPolarHBondContact CG1-SG 3.29Å; S249-C267 WeakPolarHBondContact OG-CB 3.07Å; E251-C267 HydrophobicContact CG-CB 4.38Å; E251-C267 WeakPolarHBondContact OE1-CA 3.47Å; E251-C267 WeakPolarHBondContact OE1-CB 3.39Å; I252-C267 HydrophobicContact CD1-CB 3.87Å; I252-C267 HydrophobicContact CG1-CB 4.14Å; Y263-C267 HydrophobicContact CD2-CB 4.44Å; G264-C267 PolarHBondContact O-N 3.27Å; G264-C267 PolarHBondContact O-SG 3.44Å; V265-C267 PolarHBondContact O-N 2.77Å; V265-C267 VanDerWaalsContact O-N 3.16Å; C267-Y269 VanDerWaalsContact C-N 3.29Å; C267-Y269 PolarHBondContact O-N 3.2Å; C267-W270 WeakPolarHBondContact O-CB 3.3Å; C267-W270 PolarHBondContact O-N 2.91Å; C267-S271 PolarHBondContact O-N 3.18Å; C267-S271 PolarHBondContact O-OG 3.33Å |
| 268 | D | 97.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.3 | -31.6 | 178.7 | -67.8 | -20.3 | 0 | 0 | 0 | 111.2 | I193 H197 V202 H203 R204 I206 V265 E266 W270 S271 L272 | I193-D268 HydrophobicContact CG2-CB 3.94Å; H197-D268 IonicContact CD2-OD2 3.24Å; H197-D268 IonicContact CE1-OD2 3.46Å; H197-D268 IonicContact NE2-OD2 3.63Å; H197-D268 PolarHBondContact NE2-OD2 2.89Å; V202-D268 VanDerWaalsContact CG1-OD2 3.3Å; V202-D268 WeakPolarHBondContact CG1-OD2 3.49Å; H203-D268 PolarHBondContact N-OD1 3.32Å; H203-D268 PolarHBondContact N-OD2 3.28Å; R204-D268 WeakPolarHBondContact CA-OD1 3.49Å; R204-D268 PolarHBondContact N-OD1 3.34Å; I206-D268 HydrophobicContact CG1-CB 4.06Å; V265-D268 PolarHBondContact O-N 3.49Å; E266-D268 VanDerWaalsContact C-N 3.31Å; E266-D268 PolarHBondContact O-N 3.06Å; D268-W270 VanDerWaalsContact C-N 3.34Å; D268-S271 PolarHBondContact O-N 3.3Å; D268-L272 PolarHBondContact O-N 3.48Å |
| 269 | Y | 98.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -74.2 | -23.4 | 175.5 | -63.2 | -61.9 | 0 | 0 | 0 | 113 | I193 H197 E266 C267 L272 G273 L325 L341 | I193-Y269 HydrophobicContact CB-CE1 4.43Å; I193-Y269 HydrophobicContact CG2-CD1 4.4Å; I193-Y269 HydrophobicContact CG2-CE1 3.8Å; H197-Y269 AromaticContact CE1-CE2 3.68Å; H197-Y269 AromaticContact CE1-CZ 3.89Å; H197-Y269 AromaticContact ND1-CE2 3.84Å; H197-Y269 AromaticContact ND1-CZ 3.91Å; E266-Y269 PolarHBondContact O-N 3.17Å; C267-Y269 VanDerWaalsContact C-N 3.29Å; C267-Y269 PolarHBondContact O-N 3.2Å; Y269-L272 HydrophobicContact CD1-CD2 4.01Å; Y269-G273 PolarHBondContact O-N 3.25Å; Y269-G273 VanDerWaalsContact O-N 3.1Å; Y269-L325 WeakPolarHBondContact O-CD2 3.5Å; Y269-L341 HydrophobicContact CD1-CD1 3.54Å; Y269-L341 HydrophobicContact CE1-CD1 3.32Å; Y269-L341 HydrophobicContact CG-CD1 4.29Å |
| 270 | W | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.6 | -51.7 | 166.4 | 172.4 | -83.6 | 0 | 0 | 0 | 110.2 | I248 P250 E266 C267 D268 L272 G273 V274 F286 I298 F301 I326 R332 | I248-W270 PolarHBondContact O-NE1 2.82Å; P250-W270 VanDerWaalsContact CD-CE2 3.46Å; P250-W270 HydrophobicContact CG-CD2 4.44Å; P250-W270 HydrophobicContact CG-CE3 4.33Å; P250-W270 HydrophobicContact CG-CH2 3.53Å; P250-W270 HydrophobicContact CG-CZ2 3.7Å; P250-W270 HydrophobicContact CG-CZ3 3.88Å; E266-W270 PolarHBondContact O-N 3.15Å; C267-W270 WeakPolarHBondContact O-CB 3.3Å; C267-W270 PolarHBondContact O-N 2.91Å; D268-W270 VanDerWaalsContact C-N 3.34Å; W270-L272 VanDerWaalsContact C-N 3.28Å; W270-L272 PolarHBondContact O-N 3.35Å; W270-G273 WeakPolarHBondContact O-CA 3.48Å; W270-G273 PolarHBondContact O-N 3.29Å; W270-V274 PolarHBondContact O-N 2.86Å; W270-F286 HydrophobicContact CH2-CE2 4.06Å; W270-F286 HydrophobicContact CH2-CZ 4.07Å; W270-F286 HydrophobicContact CZ2-CD2 4.29Å; W270-F286 AromaticContact CZ2-CE2 3.44Å; W270-F286 HydrophobicContact CZ2-CE2 3.44Å; W270-F286 VanDerWaalsContact CZ2-CE2 3.44Å; W270-F286 AromaticContact CZ2-CZ 3.91Å; W270-F286 HydrophobicContact CZ2-CZ 3.91Å; W270-I298 HydrophobicContact CZ2-CG2 4.21Å; W270-F301 HydrophobicContact CH2-CB 3.68Å; W270-F301 AromaticContact CH2-CD1 3.93Å; W270-F301 HydrophobicContact CH2-CD1 3.93Å; W270-F301 HydrophobicContact CH2-CD2 4.03Å; W270-F301 AromaticContact CH2-CG 3.59Å; W270-F301 HydrophobicContact CH2-CG 3.59Å; W270-F301 HydrophobicContact CZ2-CB 4.45Å; W270-F301 HydrophobicContact CZ3-CD1 4.32Å; W270-F301 HydrophobicContact CZ3-CD2 4.2Å; W270-F301 HydrophobicContact CZ3-CG 4.12Å; W270-I326 HydrophobicContact CE3-CG2 4.26Å; W270-I326 HydrophobicContact CH2-CG2 3.56Å; W270-I326 HydrophobicContact CZ2-CG2 4.02Å; W270-I326 HydrophobicContact CZ3-CB 4.33Å; W270-I326 HydrophobicContact CZ3-CG2 3.69Å; W270-R332 VanDerWaalsContact CE3-NH2 3.34Å |
| 271 | S | 97.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 8.3 Ų | 8.3 | 1% | 0.014 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -60.6 | -38.3 | 179.4 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | I206 Y247 C267 D268 G273 V274 V275 | I206-S271 WeakPolarHBondContact O-CB 3.16Å; Y247-S271 WeakPolarHBondContact O-CB 3.24Å; Y247-S271 PolarHBondContact O-OG 2.92Å; C267-S271 PolarHBondContact O-N 3.18Å; C267-S271 PolarHBondContact O-OG 3.33Å; D268-S271 PolarHBondContact O-N 3.3Å; S271-G273 VanDerWaalsContact C-N 3.3Å; S271-G273 PolarHBondContact O-N 3.46Å; S271-V274 PolarHBondContact O-N 3.44Å; S271-V275 WeakPolarHBondContact O-CG2 3.46Å; S271-V275 PolarHBondContact O-N 3.41Å |
| 272 | L | 98.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -57 | -41.7 | 169.1 | 179.9 | 67.5 | 0 | 0 | 0 | 112.4 | V186 M189 V190 I193 D268 Y269 W270 V275 M276 L325 | V186-L272 HydrophobicContact CG1-CD1 4.29Å; M189-L272 HydrophobicContact CB-CD1 3.72Å; M189-L272 HydrophobicContact CE-CD1 3.67Å; M189-L272 HydrophobicContact CG-CD1 4.49Å; M189-L272 HydrophobicContact SD-CD1 3.99Å; V190-L272 HydrophobicContact CG2-CD2 3.58Å; I193-L272 HydrophobicContact CD1-CB 4.12Å; I193-L272 HydrophobicContact CD1-CD1 4.2Å; I193-L272 HydrophobicContact CD1-CD2 4.35Å; I193-L272 HydrophobicContact CD1-CG 4.46Å; D268-L272 PolarHBondContact O-N 3.48Å; Y269-L272 HydrophobicContact CD1-CD2 4.01Å; W270-L272 VanDerWaalsContact C-N 3.28Å; W270-L272 PolarHBondContact O-N 3.35Å; L272-V275 PolarHBondContact O-N 2.89Å; L272-M276 WeakPolarHBondContact O-CB 3.37Å; L272-M276 PolarHBondContact O-N 2.68Å; L272-L325 HydrophobicContact CD2-CD1 4.45Å; L272-L325 HydrophobicContact CG-CD1 4.42Å |
| 273 | G | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | Y269 W270 S271 M276 Y277 | Y269-G273 PolarHBondContact O-N 3.25Å; Y269-G273 VanDerWaalsContact O-N 3.1Å; W270-G273 WeakPolarHBondContact O-CA 3.48Å; W270-G273 PolarHBondContact O-N 3.29Å; S271-G273 VanDerWaalsContact C-N 3.3Å; S271-G273 PolarHBondContact O-N 3.46Å; G273-M276 PolarHBondContact O-N 3.3Å; G273-Y277 WeakPolarHBondContact O-CB 3.3Å; G273-Y277 PolarHBondContact O-N 3.3Å |
| 274 | V | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 173.8 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | D246 Y247 W270 S271 M276 Y277 E278 T284 P285 I326 | D246-V274 VanDerWaalsContact O-CG1 3.29Å; D246-V274 WeakPolarHBondContact O-CG1 3.18Å; Y247-V274 HydrophobicContact CD1-CB 3.99Å; Y247-V274 HydrophobicContact CD1-CG1 3.43Å; Y247-V274 VanDerWaalsContact CD1-CG1 3.43Å; Y247-V274 HydrophobicContact CE1-CG1 3.91Å; Y247-V274 HydrophobicContact CG-CG1 4.12Å; W270-V274 PolarHBondContact O-N 2.86Å; S271-V274 PolarHBondContact O-N 3.44Å; V274-M276 PolarHBondContact O-N 3.45Å; V274-Y277 WeakPolarHBondContact O-CB 3.43Å; V274-Y277 PolarHBondContact O-N 3.35Å; V274-E278 PolarHBondContact O-N 3.45Å; V274-T284 HydrophobicContact CG1-CG2 4.35Å; V274-P285 HydrophobicContact CG1-CG 4.29Å; V274-P285 HydrophobicContact CG2-CG 4.35Å; V274-I326 HydrophobicContact CG2-CD1 4.37Å |
| 275 | V | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 176.2 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | M166 M189 P208 Y247 S271 L272 Y277 E278 M279 | M166-V275 HydrophobicContact SD-CG1 4.39Å; M189-V275 HydrophobicContact CE-CB 4.35Å; M189-V275 HydrophobicContact CE-CG1 3.98Å; M189-V275 HydrophobicContact CE-CG2 4.46Å; M189-V275 HydrophobicContact SD-CG1 4.17Å; P208-V275 HydrophobicContact CG-CG1 4.28Å; P208-V275 HydrophobicContact CG-CG2 4.31Å; Y247-V275 HydrophobicContact CD1-CG2 3.83Å; Y247-V275 HydrophobicContact CE1-CG2 3.87Å; S271-V275 WeakPolarHBondContact O-CG2 3.46Å; S271-V275 PolarHBondContact O-N 3.41Å; L272-V275 PolarHBondContact O-N 2.89Å; V275-Y277 VanDerWaalsContact C-N 3.29Å; V275-Y277 PolarHBondContact O-N 3.03Å; V275-E278 PolarHBondContact O-N 2.95Å; V275-M279 HydrophobicContact CG1-CG 4.22Å; V275-M279 HydrophobicContact CG1-SD 4.14Å; V275-M279 VanDerWaalsContact O-CG 3.24Å; V275-M279 WeakPolarHBondContact O-CG 3.22Å; V275-M279 PolarHBondContact O-N 3.42Å |
| 276 | M | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.6 | -39.2 | 177.5 | 179.9 | 179.1 | 175.2 | 0 | 0 | 112.1 | V182 V186 L272 G273 V274 L280 A318 L321 I322 L325 F346 | V182-M276 HydrophobicContact CG1-CG 4.2Å; V186-M276 HydrophobicContact CG1-SD 4.37Å; V186-M276 HydrophobicContact CG2-CB 4.16Å; V186-M276 HydrophobicContact CG2-CG 4.11Å; L272-M276 WeakPolarHBondContact O-CB 3.37Å; L272-M276 PolarHBondContact O-N 2.68Å; G273-M276 PolarHBondContact O-N 3.3Å; V274-M276 PolarHBondContact O-N 3.45Å; M276-L280 HydrophobicContact CE-CD1 3.88Å; M276-L280 HydrophobicContact CG-CD1 4.07Å; M276-L280 WeakPolarHBondContact O-CG 3.4Å; M276-L280 PolarHBondContact O-N 3.08Å; M276-A318 HydrophobicContact CE-CB 3.95Å; M276-L321 HydrophobicContact CE-CB 4.24Å; M276-L321 HydrophobicContact CE-CD2 3.99Å; M276-L321 HydrophobicContact CE-CG 4.42Å; M276-L321 HydrophobicContact SD-CB 4.38Å; M276-L321 HydrophobicContact SD-CD2 3.7Å; M276-L321 HydrophobicContact SD-CG 4.01Å; M276-I322 HydrophobicContact CE-CD1 4.43Å; M276-I322 HydrophobicContact CE-CG1 4.01Å; M276-I322 HydrophobicContact CG-CD1 4.31Å; M276-I322 HydrophobicContact CG-CG1 3.99Å; M276-I322 HydrophobicContact SD-CG1 3.82Å; M276-L325 HydrophobicContact SD-CD1 4.41Å; M276-F346 HydrophobicContact CE-CD1 4.07Å; M276-F346 HydrophobicContact CE-CD2 4.15Å; M276-F346 HydrophobicContact CE-CE1 3.71Å; M276-F346 HydrophobicContact CE-CE2 3.82Å; M276-F346 HydrophobicContact CE-CG 4.27Å; M276-F346 HydrophobicContact CE-CZ 3.58Å; M276-F346 HydrophobicContact SD-CE1 4.48Å |
| 277 | Y | 95.5 | Very high | 95 | Very high | 22 Ų | 22 | 20 Ų | 20 | 9% | 0.086 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.7 | -50.4 | 174.6 | -178.1 | -77.7 | 0 | 0 | 0 | 110.6 | G273 V274 V275 M279 L280 F281 E283 P285 F305 T306 I322 | G273-Y277 WeakPolarHBondContact O-CB 3.3Å; G273-Y277 PolarHBondContact O-N 3.3Å; V274-Y277 WeakPolarHBondContact O-CB 3.43Å; V274-Y277 PolarHBondContact O-N 3.35Å; V275-Y277 VanDerWaalsContact C-N 3.29Å; V275-Y277 PolarHBondContact O-N 3.03Å; Y277-M279 VanDerWaalsContact C-N 3.34Å; Y277-M279 PolarHBondContact O-N 3.15Å; Y277-L280 PolarHBondContact O-N 3.32Å; Y277-L280 VanDerWaalsContact O-N 3.11Å; Y277-F281 HydrophobicContact CD1-CB 4.18Å; Y277-F281 AromaticContact CD1-CD2 3.92Å; Y277-F281 HydrophobicContact CD1-CD2 3.92Å; Y277-F281 HydrophobicContact CD1-CG 4.45Å; Y277-F281 AromaticContact CD2-CD2 3.49Å; Y277-F281 HydrophobicContact CD2-CD2 3.49Å; Y277-F281 VanDerWaalsContact CD2-CD2 3.49Å; Y277-F281 AromaticContact CD2-CE2 3.74Å; Y277-F281 HydrophobicContact CD2-CE2 3.74Å; Y277-F281 HydrophobicContact CD2-CG 4.48Å; Y277-F281 HydrophobicContact CE1-CB 3.85Å; Y277-F281 HydrophobicContact CE1-CD2 4Å; Y277-F281 HydrophobicContact CE1-CG 4.18Å; Y277-F281 AromaticContact CE2-CD2 3.58Å; Y277-F281 HydrophobicContact CE2-CD2 3.58Å; Y277-F281 AromaticContact CE2-CE2 3.88Å; Y277-F281 HydrophobicContact CE2-CE2 3.88Å; Y277-F281 HydrophobicContact CE2-CG 4.21Å; Y277-F281 AromaticContact CG-CD2 3.67Å; Y277-F281 HydrophobicContact CG-CD2 3.67Å; Y277-F281 HydrophobicContact CG-CE2 4.3Å; Y277-F281 AromaticContact CZ-CD2 3.83Å; Y277-F281 WeakPolarHBondContact O-CB 3.42Å; Y277-F281 VanDerWaalsContact O-CD2 3.23Å; Y277-F281 WeakPolarHBondContact O-CD2 3.26Å; Y277-F281 PolarHBondContact O-N 3.34Å; Y277-E283 WeakPolarHBondContact CD1-O 3.28Å; Y277-E283 WeakPolarHBondContact CE1-O 3.48Å; Y277-P285 HydrophobicContact CD1-CB 3.8Å; Y277-P285 VanDerWaalsContact CD1-CD 3.46Å; Y277-P285 HydrophobicContact CD1-CG 4Å; Y277-P285 HydrophobicContact CD2-CB 4.09Å; Y277-P285 HydrophobicContact CE1-CB 3.78Å; Y277-P285 HydrophobicContact CE1-CG 4.45Å; Y277-P285 HydrophobicContact CE2-CB 4.07Å; Y277-P285 HydrophobicContact CG-CB 3.97Å; Y277-P285 HydrophobicContact CG-CG 4.06Å; Y277-F305 AromaticContact CD2-CE2 4Å; Y277-F305 HydrophobicContact CD2-CE2 4Å; Y277-F305 HydrophobicContact CE2-CE2 4.1Å; Y277-T306 PolarHBondContact OH-O 2.77Å; Y277-I322 HydrophobicContact CD2-CD1 4.46Å; Y277-I322 HydrophobicContact CD2-CG2 4.23Å |
| 278 | E | 94.4 | Very high | 94.7 | Very high | 25 Ų | 25 | 20.8 Ų | 20.8 | 12% | 0.117 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.7 | -44.8 | 177.8 | -177 | -173.7 | -160.4 | 0 | 0 | 111.7 | L170 P208 Y247 V274 V275 L280 F281 G282 T284 | L170-E278 HydrophobicContact CD1-CG 4.46Å; P208-E278 VanDerWaalsContact CG-OE2 3.25Å; P208-E278 WeakPolarHBondContact CG-OE2 3.34Å; Y247-E278 WeakPolarHBondContact CE1-OE2 3.32Å; Y247-E278 PolarHBondContact OH-OE1 2.9Å; Y247-E278 PolarHBondContact OH-OE2 2.65Å; V274-E278 PolarHBondContact O-N 3.45Å; V275-E278 PolarHBondContact O-N 2.95Å; E278-L280 PolarHBondContact O-N 3.29Å; E278-F281 PolarHBondContact O-N 3.01Å; E278-G282 WeakPolarHBondContact O-CA 3.05Å; E278-G282 PolarHBondContact O-N 3.4Å; E278-T284 HydrophobicContact CB-CG2 4.37Å; E278-T284 HydrophobicContact CG-CG2 4.27Å |
| 279 | M | 94 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.1 | -33.8 | 177.3 | -67.1 | 178.6 | 88.1 | 0 | 0 | 113.4 | M166 L170 I177 V182 Y185 V186 V275 Y277 | M166-M279 HydrophobicContact CE-CE 4.46Å; M166-M279 HydrophobicContact SD-CE 4.18Å; M166-M279 HydrophobicContact SD-SD 4.28Å; L170-M279 HydrophobicContact CD2-CB 4.23Å; L170-M279 HydrophobicContact CD2-CG 3.95Å; I177-M279 HydrophobicContact CD1-CE 3.69Å; I177-M279 HydrophobicContact CD1-CG 4.43Å; I177-M279 PolarHBondContact N-O 3.08Å; V182-M279 HydrophobicContact CG1-CB 4.27Å; V182-M279 HydrophobicContact CG1-SD 4.11Å; V182-M279 HydrophobicContact CG2-CB 3.85Å; V182-M279 HydrophobicContact CG2-CE 4.21Å; Y185-M279 HydrophobicContact CD2-CE 4.43Å; V186-M279 HydrophobicContact CG2-SD 4.2Å; V275-M279 HydrophobicContact CG1-CG 4.22Å; V275-M279 HydrophobicContact CG1-SD 4.14Å; V275-M279 VanDerWaalsContact O-CG 3.24Å; V275-M279 WeakPolarHBondContact O-CG 3.22Å; V275-M279 PolarHBondContact O-N 3.42Å; Y277-M279 VanDerWaalsContact C-N 3.34Å; Y277-M279 PolarHBondContact O-N 3.15Å |
| 280 | L | 93.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -93.5 | -32.1 | -175.1 | -71 | 169.3 | 0 | 0 | 0 | 113.3 | E179 V182 M276 Y277 E278 I314 A318 I322 | E179-L280 HydrophobicContact CB-CD2 4.2Å; E179-L280 HydrophobicContact CG-CD2 4.29Å; V182-L280 HydrophobicContact CB-CD2 4.1Å; V182-L280 HydrophobicContact CG1-CD1 4.39Å; V182-L280 HydrophobicContact CG1-CD2 4.22Å; V182-L280 HydrophobicContact CG1-CG 4.12Å; V182-L280 HydrophobicContact CG2-CD2 3.72Å; V182-L280 HydrophobicContact CG2-CG 4.15Å; M276-L280 HydrophobicContact CE-CD1 3.88Å; M276-L280 HydrophobicContact CG-CD1 4.07Å; M276-L280 WeakPolarHBondContact O-CG 3.4Å; M276-L280 PolarHBondContact O-N 3.08Å; Y277-L280 PolarHBondContact O-N 3.32Å; Y277-L280 VanDerWaalsContact O-N 3.11Å; E278-L280 PolarHBondContact O-N 3.29Å; L280-I314 HydrophobicContact CB-CD1 3.91Å; L280-I314 HydrophobicContact CD1-CG2 4.45Å; L280-A318 HydrophobicContact CD1-CB 4.14Å; L280-I322 HydrophobicContact CD1-CD1 4.03Å |
| 281 | F | 91.5 | Very high | 93.1 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 10% | 0.096 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -110.9 | -18.2 | -172.4 | -62.3 | -74.8 | 0 | 0 | 0 | 113.8 | K176 Y277 E278 I307 P308 I314 I322 | K176-F281 WeakPolarHBondContact CE-O 3.35Å; Y277-F281 HydrophobicContact CD1-CB 4.18Å; Y277-F281 AromaticContact CD1-CD2 3.92Å; Y277-F281 HydrophobicContact CD1-CD2 3.92Å; Y277-F281 HydrophobicContact CD1-CG 4.45Å; Y277-F281 AromaticContact CD2-CD2 3.49Å; Y277-F281 HydrophobicContact CD2-CD2 3.49Å; Y277-F281 VanDerWaalsContact CD2-CD2 3.49Å; Y277-F281 AromaticContact CD2-CE2 3.74Å; Y277-F281 HydrophobicContact CD2-CE2 3.74Å; Y277-F281 HydrophobicContact CD2-CG 4.48Å; Y277-F281 HydrophobicContact CE1-CB 3.85Å; Y277-F281 HydrophobicContact CE1-CD2 4Å; Y277-F281 HydrophobicContact CE1-CG 4.18Å; Y277-F281 AromaticContact CE2-CD2 3.58Å; Y277-F281 HydrophobicContact CE2-CD2 3.58Å; Y277-F281 AromaticContact CE2-CE2 3.88Å; Y277-F281 HydrophobicContact CE2-CE2 3.88Å; Y277-F281 HydrophobicContact CE2-CG 4.21Å; Y277-F281 AromaticContact CG-CD2 3.67Å; Y277-F281 HydrophobicContact CG-CD2 3.67Å; Y277-F281 HydrophobicContact CG-CE2 4.3Å; Y277-F281 AromaticContact CZ-CD2 3.83Å; Y277-F281 WeakPolarHBondContact O-CB 3.42Å; Y277-F281 VanDerWaalsContact O-CD2 3.23Å; Y277-F281 WeakPolarHBondContact O-CD2 3.26Å; Y277-F281 PolarHBondContact O-N 3.34Å; E278-F281 PolarHBondContact O-N 3.01Å; F281-I307 HydrophobicContact CE1-CG2 4.13Å; F281-I307 HydrophobicContact CE2-CG2 4.26Å; F281-I307 HydrophobicContact CZ-CG2 3.54Å; F281-P308 HydrophobicContact CD1-CG 4.16Å; F281-P308 HydrophobicContact CE1-CG 4.38Å; F281-I314 HydrophobicContact CD1-CD1 3.81Å; F281-I314 HydrophobicContact CE1-CD1 3.26Å; F281-I314 HydrophobicContact CE2-CD1 4.13Å; F281-I314 HydrophobicContact CG-CD1 4.45Å; F281-I314 HydrophobicContact CZ-CD1 3.41Å; F281-I314 VanDerWaalsContact CZ-CD1 3.41Å; F281-I322 HydrophobicContact CE2-CD1 3.9Å |
| 282 | G | 89.5 | Confident | 92.6 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 84.4 | -1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | D175 E278 | D175-G282 WeakPolarHBondContact O-CA 3.48Å; E278-G282 WeakPolarHBondContact O-CA 3.05Å; E278-G282 PolarHBondContact O-N 3.4Å |
| 283 | E | 90.4 | Very high | 92.2 | Very high | 144 Ų | 144 | 45.1 Ų | 45.1 | 67% | 0.673 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -139.4 | 154.8 | 173.8 | -65.7 | 179.7 | 160 | 0 | 0 | 108.5 | Y277 | Y277-E283 WeakPolarHBondContact CD1-O 3.28Å; Y277-E283 WeakPolarHBondContact CE1-O 3.48Å |
| 284 | T | 94 | Very high | 91.9 | Very high | 17 Ų | 17 | 45.3 Ų | 45.3 | 10% | 0.104 | 22% | 0.221 | C | C | . | . | trans | -73.8 | 146.2 | 175.3 | 66.8 | 0 | 0 | 0 | 0 | 110.2 | D246 Y247 V274 E278 F286 Y287 | D246-T284 HydrophobicContact CB-CG2 3.97Å; D246-T284 PolarHBondContact OD1-OG1 3.11Å; Y247-T284 HydrophobicContact CE1-CG2 4.23Å; V274-T284 HydrophobicContact CG1-CG2 4.35Å; E278-T284 HydrophobicContact CB-CG2 4.37Å; E278-T284 HydrophobicContact CG-CG2 4.27Å; T284-F286 PolarHBondContact O-N 3.36Å; T284-F286 VanDerWaalsContact O-N 3.16Å; T284-Y287 PolarHBondContact O-N 3Å; T284-Y287 WeakPolarHBondContact OG1-CB 3.37Å | ||
| 285 | P | 93.9 | Very high | 91.5 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17 | -170.3 | 24.3 | -32.4 | 0 | 0 | 0 | 115.1 | V274 Y277 F305 I326 | V274-P285 HydrophobicContact CG1-CG 4.29Å; V274-P285 HydrophobicContact CG2-CG 4.35Å; Y277-P285 HydrophobicContact CD1-CB 3.8Å; Y277-P285 VanDerWaalsContact CD1-CD 3.46Å; Y277-P285 HydrophobicContact CD1-CG 4Å; Y277-P285 HydrophobicContact CD2-CB 4.09Å; Y277-P285 HydrophobicContact CE1-CB 3.78Å; Y277-P285 HydrophobicContact CE1-CG 4.45Å; Y277-P285 HydrophobicContact CE2-CB 4.07Å; Y277-P285 HydrophobicContact CG-CB 3.97Å; Y277-P285 HydrophobicContact CG-CG 4.06Å; P285-F305 HydrophobicContact CB-CD2 4.04Å; P285-F305 HydrophobicContact CB-CE2 4.2Å; P285-I326 HydrophobicContact CG-CD1 3.93Å |
| 286 | F | 95 | Very high | 91.2 | Very high | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 11.6 | -175.2 | -54.3 | -66.6 | 0 | 0 | 0 | 113.2 | W270 T284 S288 H297 I298 F301 F305 I326 | W270-F286 HydrophobicContact CH2-CE2 4.06Å; W270-F286 HydrophobicContact CH2-CZ 4.07Å; W270-F286 HydrophobicContact CZ2-CD2 4.29Å; W270-F286 AromaticContact CZ2-CE2 3.44Å; W270-F286 HydrophobicContact CZ2-CE2 3.44Å; W270-F286 VanDerWaalsContact CZ2-CE2 3.44Å; W270-F286 AromaticContact CZ2-CZ 3.91Å; W270-F286 HydrophobicContact CZ2-CZ 3.91Å; T284-F286 PolarHBondContact O-N 3.36Å; T284-F286 VanDerWaalsContact O-N 3.16Å; F286-S288 PolarHBondContact O-N 3.26Å; F286-H297 HydrophobicContact CB-CB 4.03Å; F286-H297 HydrophobicContact CD1-CB 4.12Å; F286-I298 HydrophobicContact CB-CD1 4.47Å; F286-I298 HydrophobicContact CB-CG1 3.69Å; F286-I298 HydrophobicContact CD2-CG1 3.79Å; F286-I298 HydrophobicContact CG-CG1 3.77Å; F286-F301 HydrophobicContact CE1-CB 3.75Å; F286-F301 HydrophobicContact CZ-CB 3.67Å; F286-F305 HydrophobicContact CE1-CB 3.78Å; F286-F305 HydrophobicContact CE1-CD2 4.43Å; F286-F305 HydrophobicContact CZ-CB 3.9Å; F286-F305 HydrophobicContact CZ-CD2 4.06Å; F286-F305 HydrophobicContact CZ-CG 4.27Å; F286-I326 HydrophobicContact CE2-CG2 3.94Å; F286-I326 HydrophobicContact CZ-CG2 3.69Å |
| 287 | Y | 91 | Very high | 91.1 | Very high | 141 Ų | 141 | 53.2 Ų | 53.2 | 55% | 0.553 | 26% | 0.261 | S | S | * | . | trans | -53.8 | 139 | -178.8 | -178.8 | -106.1 | 0 | 0 | 0 | 111.8 | T284 | T284-Y287 PolarHBondContact O-N 3Å; T284-Y287 WeakPolarHBondContact OG1-CB 3.37Å | ||
| 288 | S | 87.7 | Confident | 91 | Very high | 16 Ų | 16 | 52.1 Ų | 52.1 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | trans | -152.8 | 160.1 | 166.8 | 71.2 | 0 | 0 | 0 | 0 | 109.3 | F286 N290 E293 T294 | F286-S288 PolarHBondContact O-N 3.26Å; S288-N290 PolarHBondContact O-N 3.23Å; S288-N290 PolarHBondContact OG-O 2.93Å; S288-E293 VanDerWaalsContact OG-CB 3.26Å; S288-E293 WeakPolarHBondContact OG-CB 3.44Å; S288-T294 PolarHBondContact N-OG1 3.27Å; S288-T294 PolarHBondContact O-OG1 2.88Å; S288-T294 WeakPolarHBondContact OG-CA 3.45Å; S288-T294 PolarHBondContact OG-N 2.94Å; S288-T294 PolarHBondContact OG-OG1 2.68Å | ||
| 289 | E | 86.2 | Confident | 90.8 | Very high | 189 Ų | 189 | 52.4 Ų | 52.4 | 88% | 0.883 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -68.8 | -18.4 | 179.9 | -62.9 | -172.7 | 168.5 | 0 | 0 | 112.8 | ||
| 290 | N | 86.7 | Confident | 90.7 | Very high | 57 Ų | 57 | 55.7 Ų | 55.7 | 31% | 0.305 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -112.9 | 124.5 | -178.6 | -175.5 | -23.6 | 0 | 0 | 0 | 111 | S288 I292 E293 T294 | S288-N290 PolarHBondContact O-N 3.23Å; S288-N290 PolarHBondContact OG-O 2.93Å; N290-I292 PolarHBondContact O-N 3.1Å; N290-I292 VanDerWaalsContact O-N 3.14Å; N290-I292 WeakPolarHBondContact OD1-CB 3.48Å; N290-I292 PolarHBondContact OD1-N 2.97Å; N290-E293 HydrophobicContact CB-CB 4.13Å; N290-E293 HydrophobicContact CB-CG 4Å; N290-E293 WeakPolarHBondContact O-CA 3.49Å; N290-E293 WeakPolarHBondContact O-CB 3.26Å; N290-E293 PolarHBondContact O-N 2.78Å; N290-T294 PolarHBondContact O-N 3.13Å; N290-T294 PolarHBondContact O-OG1 3Å |
| 291 | L | 86.9 | Confident | 90.7 | Very high | 83 Ų | 83 | 56 Ų | 56 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -52.2 | -39.1 | 178.3 | -178 | 60.9 | 0 | 0 | 0 | 113.7 | P245 E293 T294 Y295 | P245-L291 HydrophobicContact CB-CD1 3.32Å; P245-L291 HydrophobicContact CG-CD1 3.29Å; L291-E293 VanDerWaalsContact C-N 3.35Å; L291-T294 PolarHBondContact O-N 2.85Å; L291-Y295 HydrophobicContact CD1-CD1 4.47Å; L291-Y295 HydrophobicContact CD1-CD2 4.43Å; L291-Y295 HydrophobicContact CD1-CE1 3.9Å; L291-Y295 HydrophobicContact CD1-CE2 3.85Å; L291-Y295 HydrophobicContact CD2-CE2 4.09Å; L291-Y295 HydrophobicContact CG-CD2 4.21Å; L291-Y295 HydrophobicContact CG-CE2 3.72Å; L291-Y295 PolarHBondContact O-N 3.32Å |
| 292 | I | 87.5 | Confident | 90.6 | Very high | 86 Ų | 86 | 62.5 Ų | 62.5 | 44% | 0.441 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 179.8 | -60.2 | 172.4 | 0 | 0 | 0 | 110.4 | N290 S296 | N290-I292 PolarHBondContact O-N 3.1Å; N290-I292 VanDerWaalsContact O-N 3.14Å; N290-I292 WeakPolarHBondContact OD1-CB 3.48Å; N290-I292 PolarHBondContact OD1-N 2.97Å; I292-S296 WeakPolarHBondContact O-CB 3.33Å; I292-S296 PolarHBondContact O-N 2.97Å |
| 293 | E | 89.3 | Confident | 90.7 | Very high | 100 Ų | 100 | 69.9 Ų | 69.9 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 175.2 | -70 | -178.1 | 176.6 | 0 | 0 | 110.9 | S288 N290 L291 Y295 S296 H297 | S288-E293 VanDerWaalsContact OG-CB 3.26Å; S288-E293 WeakPolarHBondContact OG-CB 3.44Å; N290-E293 HydrophobicContact CB-CB 4.13Å; N290-E293 HydrophobicContact CB-CG 4Å; N290-E293 WeakPolarHBondContact O-CA 3.49Å; N290-E293 WeakPolarHBondContact O-CB 3.26Å; N290-E293 PolarHBondContact O-N 2.78Å; L291-E293 VanDerWaalsContact C-N 3.35Å; E293-Y295 PolarHBondContact O-N 2.81Å; E293-S296 CarbonylContact O-C 3.58Å; E293-S296 WeakPolarHBondContact O-CA 3.46Å; E293-S296 WeakPolarHBondContact O-CB 3.49Å; E293-S296 PolarHBondContact O-N 3.19Å; E293-S296 VanDerWaalsContact O-N 3.09Å; E293-H297 PolarHBondContact O-N 3.35Å |
| 294 | T | 90.7 | Very high | 90.6 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 175.3 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | P245 S288 N290 L291 S296 H297 I298 | P245-T294 HydrophobicContact CB-CG2 4.45Å; S288-T294 PolarHBondContact N-OG1 3.27Å; S288-T294 PolarHBondContact O-OG1 2.88Å; S288-T294 WeakPolarHBondContact OG-CA 3.45Å; S288-T294 PolarHBondContact OG-N 2.94Å; S288-T294 PolarHBondContact OG-OG1 2.68Å; N290-T294 PolarHBondContact O-N 3.13Å; N290-T294 PolarHBondContact O-OG1 3Å; L291-T294 PolarHBondContact O-N 2.85Å; T294-S296 VanDerWaalsContact C-N 3.34Å; T294-S296 PolarHBondContact O-N 3.17Å; T294-H297 PolarHBondContact O-N 3.23Å; T294-I298 HydrophobicContact CG2-CD1 4Å; T294-I298 VanDerWaalsContact O-CG1 3.28Å; T294-I298 WeakPolarHBondContact O-CG1 3.16Å; T294-I298 PolarHBondContact O-N 2.98Å |
| 295 | Y | 90.9 | Very high | 90.6 | Very high | 68 Ų | 68 | 67.6 Ų | 67.6 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 174.7 | -67.6 | -24 | 0 | 0 | 0 | 112.8 | P245 I248 L253 L291 E293 I298 M299 | P245-Y295 HydrophobicContact CB-CE1 3.8Å; P245-Y295 HydrophobicContact CG-CE1 4.37Å; I248-Y295 HydrophobicContact CG2-CD1 4.39Å; I248-Y295 HydrophobicContact CG2-CE1 4.11Å; L253-Y295 HydrophobicContact CD1-CD1 3.86Å; L253-Y295 HydrophobicContact CD1-CG 4.26Å; L253-Y295 HydrophobicContact CD2-CD1 3.88Å; L253-Y295 HydrophobicContact CD2-CE1 3.86Å; L253-Y295 HydrophobicContact CD2-CG 4.27Å; L291-Y295 HydrophobicContact CD1-CD1 4.47Å; L291-Y295 HydrophobicContact CD1-CD2 4.43Å; L291-Y295 HydrophobicContact CD1-CE1 3.9Å; L291-Y295 HydrophobicContact CD1-CE2 3.85Å; L291-Y295 HydrophobicContact CD2-CE2 4.09Å; L291-Y295 HydrophobicContact CG-CD2 4.21Å; L291-Y295 HydrophobicContact CG-CE2 3.72Å; L291-Y295 PolarHBondContact O-N 3.32Å; E293-Y295 PolarHBondContact O-N 2.81Å; Y295-I298 PolarHBondContact O-N 2.99Å; Y295-M299 WeakPolarHBondContact O-CB 3.29Å; Y295-M299 VanDerWaalsContact O-CG 3.28Å; Y295-M299 WeakPolarHBondContact O-CG 3.27Å; Y295-M299 PolarHBondContact O-N 2.89Å |
| 296 | S | 90.5 | Very high | 90.4 | Very high | 53 Ų | 53 | 71.3 Ų | 71.3 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 175.4 | -177 | 0 | 0 | 0 | 0 | 112.3 | I292 E293 T294 M299 N300 | I292-S296 WeakPolarHBondContact O-CB 3.33Å; I292-S296 PolarHBondContact O-N 2.97Å; E293-S296 CarbonylContact O-C 3.58Å; E293-S296 WeakPolarHBondContact O-CA 3.46Å; E293-S296 WeakPolarHBondContact O-CB 3.49Å; E293-S296 PolarHBondContact O-N 3.19Å; E293-S296 VanDerWaalsContact O-N 3.09Å; T294-S296 VanDerWaalsContact C-N 3.34Å; T294-S296 PolarHBondContact O-N 3.17Å; S296-M299 PolarHBondContact O-N 3.45Å; S296-N300 VanDerWaalsContact O-CB 3.3Å; S296-N300 WeakPolarHBondContact O-CB 3.23Å; S296-N300 PolarHBondContact O-N 2.95Å; S296-N300 PolarHBondContact O-ND2 3.01Å |
| 297 | H | 93.5 | Very high | 90.1 | Very high | 45 Ų | 45 | 72.6 Ų | 72.6 | 21% | 0.208 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 175.7 | -65.7 | 162.4 | 0 | 0 | 0 | 111.4 | F286 E293 T294 N300 F301 H304 | F286-H297 HydrophobicContact CB-CB 4.03Å; F286-H297 HydrophobicContact CD1-CB 4.12Å; E293-H297 PolarHBondContact O-N 3.35Å; T294-H297 PolarHBondContact O-N 3.23Å; H297-N300 CarbonylContact O-C 3.55Å; H297-N300 PolarHBondContact O-N 3.24Å; H297-F301 VanDerWaalsContact O-CA 3.3Å; H297-F301 WeakPolarHBondContact O-CA 3.36Å; H297-F301 PolarHBondContact O-N 2.84Å; H297-H304 HydrophobicContact CB-CB 4.24Å; H297-H304 AromaticContact CD2-CD2 3.3Å; H297-H304 PolarHBondContact CD2-CD2 3.07Å; H297-H304 AromaticContact CD2-CG 3.79Å; H297-H304 AromaticContact CD2-NE2 3.53Å; H297-H304 AromaticContact NE2-CD2 3.84Å |
| 298 | I | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 176.5 | -67.2 | 167.2 | 0 | 0 | 0 | 111 | P245 I248 P250 L253 W270 F286 T294 Y295 N300 F301 | P245-I298 WeakPolarHBondContact O-CD1 3.3Å; I248-I298 HydrophobicContact CG2-CD1 3.92Å; P250-I298 HydrophobicContact CB-CG2 4.3Å; P250-I298 HydrophobicContact CG-CG2 3.79Å; L253-I298 HydrophobicContact CD1-CB 4.24Å; L253-I298 HydrophobicContact CD1-CG2 3.83Å; W270-I298 HydrophobicContact CZ2-CG2 4.21Å; F286-I298 HydrophobicContact CB-CD1 4.47Å; F286-I298 HydrophobicContact CB-CG1 3.69Å; F286-I298 HydrophobicContact CD2-CG1 3.79Å; F286-I298 HydrophobicContact CG-CG1 3.77Å; T294-I298 HydrophobicContact CG2-CD1 4Å; T294-I298 VanDerWaalsContact O-CG1 3.28Å; T294-I298 WeakPolarHBondContact O-CG1 3.16Å; T294-I298 PolarHBondContact O-N 2.98Å; Y295-I298 PolarHBondContact O-N 2.99Å; I298-N300 PolarHBondContact O-N 3.32Å; I298-F301 WeakPolarHBondContact O-CB 3.37Å; I298-F301 WeakPolarHBondContact O-CD1 3.29Å; I298-F301 PolarHBondContact O-N 2.94Å |
| 299 | M | 90 | Very high | 89.3 | Confident | 30 Ų | 30 | 73.5 Ų | 73.5 | 15% | 0.148 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.8 | -33.5 | 178.8 | -74.5 | -62.3 | -147 | 0 | 0 | 112.7 | P250 L253 R254 E257 Y295 S296 | P250-M299 HydrophobicContact CB-SD 4.49Å; L253-M299 HydrophobicContact CB-CE 3.4Å; L253-M299 VanDerWaalsContact CB-CE 3.4Å; L253-M299 HydrophobicContact CB-SD 3.98Å; L253-M299 HydrophobicContact CD1-CE 4.48Å; L253-M299 HydrophobicContact CD1-CG 4.34Å; L253-M299 HydrophobicContact CD1-SD 4.4Å; R254-M299 HydrophobicContact CG-CE 3.73Å; R254-M299 HydrophobicContact CG-SD 3.73Å; E257-M299 VanDerWaalsContact CD-CE 3.4Å; E257-M299 HydrophobicContact CG-CE 4.43Å; E257-M299 VanDerWaalsContact OE1-CE 3.29Å; E257-M299 WeakPolarHBondContact OE1-CE 3.24Å; E257-M299 VanDerWaalsContact OE2-CE 3.27Å; E257-M299 WeakPolarHBondContact OE2-CE 3.26Å; Y295-M299 WeakPolarHBondContact O-CB 3.29Å; Y295-M299 VanDerWaalsContact O-CG 3.28Å; Y295-M299 WeakPolarHBondContact O-CG 3.27Å; Y295-M299 PolarHBondContact O-N 2.89Å; S296-M299 PolarHBondContact O-N 3.45Å |
| 300 | N | 91.6 | Very high | 88.4 | Confident | 69 Ų | 69 | 71.4 Ų | 71.4 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 34.7 | 177 | -62.9 | -65 | 0 | 0 | 0 | 112.2 | S296 H297 I298 E302 K303 H304 | S296-N300 VanDerWaalsContact O-CB 3.3Å; S296-N300 WeakPolarHBondContact O-CB 3.23Å; S296-N300 PolarHBondContact O-N 2.95Å; S296-N300 PolarHBondContact O-ND2 3.01Å; H297-N300 CarbonylContact O-C 3.55Å; H297-N300 PolarHBondContact O-N 3.24Å; I298-N300 PolarHBondContact O-N 3.32Å; N300-E302 PolarHBondContact O-N 3.27Å; N300-E302 VanDerWaalsContact O-N 3.09Å; N300-K303 PolarHBondContact O-N 2.98Å; N300-H304 PolarHBondContact O-N 3.05Å; N300-H304 PolarHBondContact O-ND1 2.89Å; N300-H304 VanDerWaalsContact O-ND1 3.1Å |
| 301 | F | 93.5 | Very high | 87 | Confident | 13 Ų | 13 | 73.2 Ų | 73.2 | 6% | 0.057 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -55 | -32.9 | -174.2 | 71 | -87.9 | 0 | 0 | 0 | 113.1 | P250 W270 F286 H297 I298 K303 H304 F305 D328 | P250-F301 HydrophobicContact CG-CD1 3.94Å; P250-F301 HydrophobicContact CG-CE1 4.33Å; W270-F301 HydrophobicContact CH2-CB 3.68Å; W270-F301 AromaticContact CH2-CD1 3.93Å; W270-F301 HydrophobicContact CH2-CD1 3.93Å; W270-F301 HydrophobicContact CH2-CD2 4.03Å; W270-F301 AromaticContact CH2-CG 3.59Å; W270-F301 HydrophobicContact CH2-CG 3.59Å; W270-F301 HydrophobicContact CZ2-CB 4.45Å; W270-F301 HydrophobicContact CZ3-CD1 4.32Å; W270-F301 HydrophobicContact CZ3-CD2 4.2Å; W270-F301 HydrophobicContact CZ3-CG 4.12Å; F286-F301 HydrophobicContact CE1-CB 3.75Å; F286-F301 HydrophobicContact CZ-CB 3.67Å; H297-F301 VanDerWaalsContact O-CA 3.3Å; H297-F301 WeakPolarHBondContact O-CA 3.36Å; H297-F301 PolarHBondContact O-N 2.84Å; I298-F301 WeakPolarHBondContact O-CB 3.37Å; I298-F301 WeakPolarHBondContact O-CD1 3.29Å; I298-F301 PolarHBondContact O-N 2.94Å; F301-K303 PolarHBondContact O-N 3.09Å; F301-H304 PolarHBondContact O-N 3.37Å; F301-F305 WeakPolarHBondContact O-CB 3.41Å; F301-F305 PolarHBondContact O-N 2.63Å; F301-D328 HydrophobicContact CZ-CB 4.33Å |
| 302 | E | 90.5 | Very high | 85.8 | Confident | 159 Ų | 159 | 72.4 Ų | 72.4 | 74% | 0.743 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -57.6 | -24.2 | 177.9 | -62.3 | -177.4 | 167.6 | 0 | 0 | 113.5 | N300 | N300-E302 PolarHBondContact O-N 3.27Å; N300-E302 VanDerWaalsContact O-N 3.09Å |
| 303 | K | 90.4 | Very high | 85.3 | Confident | 171 Ų | 171 | 78.4 Ų | 78.4 | 74% | 0.743 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -100.9 | -32.4 | 178.7 | -65.7 | -179.1 | -179.1 | 174 | 0 | 113.5 | N300 F301 | N300-K303 PolarHBondContact O-N 2.98Å; F301-K303 PolarHBondContact O-N 3.09Å |
| 304 | H | 90 | Very high | 85.2 | Confident | 77 Ų | 77 | 75 Ų | 75 | 36% | 0.356 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -98.9 | -24.6 | -172.1 | -63.5 | 89.1 | 0 | 0 | 0 | 113.2 | H297 N300 F301 T306 | H297-H304 HydrophobicContact CB-CB 4.24Å; H297-H304 AromaticContact CD2-CD2 3.3Å; H297-H304 PolarHBondContact CD2-CD2 3.07Å; H297-H304 AromaticContact CD2-CG 3.79Å; H297-H304 AromaticContact CD2-NE2 3.53Å; H297-H304 AromaticContact NE2-CD2 3.84Å; N300-H304 PolarHBondContact O-N 3.05Å; N300-H304 PolarHBondContact O-ND1 2.89Å; N300-H304 VanDerWaalsContact O-ND1 3.1Å; F301-H304 PolarHBondContact O-N 3.37Å; H304-T306 PolarHBondContact O-N 2.64Å; H304-T306 VanDerWaalsContact O-N 3.15Å |
| 305 | F | 94 | Very high | 85.2 | Confident | 36 Ų | 36 | 76.3 Ų | 76.3 | 16% | 0.158 | 40% | 0.399 | C | S | . | . | trans | -71 | 111.7 | 178.4 | -179.7 | -120.7 | 0 | 0 | 0 | 110.3 | Y277 P285 F286 F301 I307 I322 R323 I326 | Y277-F305 AromaticContact CD2-CE2 4Å; Y277-F305 HydrophobicContact CD2-CE2 4Å; Y277-F305 HydrophobicContact CE2-CE2 4.1Å; P285-F305 HydrophobicContact CB-CD2 4.04Å; P285-F305 HydrophobicContact CB-CE2 4.2Å; F286-F305 HydrophobicContact CE1-CB 3.78Å; F286-F305 HydrophobicContact CE1-CD2 4.43Å; F286-F305 HydrophobicContact CZ-CB 3.9Å; F286-F305 HydrophobicContact CZ-CD2 4.06Å; F286-F305 HydrophobicContact CZ-CG 4.27Å; F301-F305 WeakPolarHBondContact O-CB 3.41Å; F301-F305 PolarHBondContact O-N 2.63Å; F305-I307 HydrophobicContact CE1-CD1 4.37Å; F305-I307 HydrophobicContact CE1-CG1 4.23Å; F305-I307 HydrophobicContact CE2-CG1 4.28Å; F305-I307 HydrophobicContact CZ-CD1 3.95Å; F305-I307 HydrophobicContact CZ-CG1 3.68Å; F305-I322 HydrophobicContact CE2-CG2 4.13Å; F305-I322 HydrophobicContact CZ-CG2 3.62Å; F305-R323 HydrophobicContact CE1-CG 4.25Å; F305-I326 HydrophobicContact CD1-CG2 4.15Å; F305-I326 HydrophobicContact CD2-CD1 4.26Å; F305-I326 HydrophobicContact CD2-CG2 3.89Å; F305-I326 HydrophobicContact CE1-CB 4.29Å; F305-I326 HydrophobicContact CE1-CG2 4.35Å; F305-I326 HydrophobicContact CE2-CB 4.3Å; F305-I326 HydrophobicContact CE2-CD1 3.7Å; F305-I326 HydrophobicContact CE2-CG2 4.12Å; F305-I326 HydrophobicContact CG-CG2 3.93Å; F305-I326 HydrophobicContact CZ-CB 4.17Å; F305-I326 HydrophobicContact CZ-CD1 4.16Å; F305-I326 HydrophobicContact CZ-CG2 4.35Å | ||
| 306 | T | 89.5 | Confident | 85.3 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 60% | 0.601 | 41% | 0.413 | S | S | * | . | trans | -132.2 | 138.5 | 174.8 | 58.7 | 0 | 0 | 0 | 0 | 109.6 | Y277 H304 | Y277-T306 PolarHBondContact OH-O 2.77Å; H304-T306 PolarHBondContact O-N 2.64Å; H304-T306 VanDerWaalsContact O-N 3.15Å | ||
| 307 | I | 88.9 | Confident | 85.5 | Confident | 30 Ų | 30 | 78.2 Ų | 78.2 | 15% | 0.154 | 41% | 0.409 | C | S | . | . | trans | -97.4 | 120.2 | 172.7 | -62 | 179.9 | 0 | 0 | 0 | 106.9 | F281 F305 T309 C319 R323 | F281-I307 HydrophobicContact CE1-CG2 4.13Å; F281-I307 HydrophobicContact CE2-CG2 4.26Å; F281-I307 HydrophobicContact CZ-CG2 3.54Å; F305-I307 HydrophobicContact CE1-CD1 4.37Å; F305-I307 HydrophobicContact CE1-CG1 4.23Å; F305-I307 HydrophobicContact CE2-CG1 4.28Å; F305-I307 HydrophobicContact CZ-CD1 3.95Å; F305-I307 HydrophobicContact CZ-CG1 3.68Å; I307-T309 PolarHBondContact O-N 3.28Å; I307-C319 HydrophobicContact CD1-CB 3.97Å; I307-R323 HydrophobicContact CD1-CG 3.9Å | ||
| 308 | P | 84.5 | Confident | 85.5 | Confident | 50 Ų | 50 | 76.1 Ų | 76.1 | 33% | 0.325 | 40% | 0.399 | S | S | . | . | trans | -56 | 122.7 | 178.6 | -26.1 | 34.1 | 0 | 0 | 0 | 112.1 | F281 C311 | F281-P308 HydrophobicContact CD1-CG 4.16Å; F281-P308 HydrophobicContact CE1-CG 4.38Å; P308-C311 HydrophobicContact CB-CB 4.44Å | ||
| 309 | T | 76 | Confident | 85.6 | Confident | 125 Ų | 125 | 76.6 Ų | 76.6 | 77% | 0.767 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -81.5 | -23.1 | 177.1 | 49.7 | 0 | 0 | 0 | 0 | 113.2 | I307 | I307-T309 PolarHBondContact O-N 3.28Š|
| 310 | D | 67.7 | Low | 85.8 | Confident | 145 Ų | 145 | 77.9 Ų | 77.9 | 78% | 0.775 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -100.8 | -15.5 | -160.2 | -62.5 | -7.2 | 0 | 0 | 0 | 113.5 | ||
| 311 | C | 57.6 | Low | 86.1 | Confident | 95 Ų | 95 | 74.6 Ų | 74.6 | 64% | 0.642 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -104.4 | -24.2 | -158.4 | -61.7 | 0 | 0 | 0 | 0 | 115.6 | P308 | P308-C311 HydrophobicContact CB-CB 4.44Š|
| 312 | V | 62.1 | Low | 86.3 | Confident | 66 Ų | 66 | 74 Ų | 74 | 40% | 0.4 | 39% | 0.389 | S | S | . | . | trans | -150 | 141.8 | -172.7 | -162.9 | 0 | 0 | 0 | 0 | 112 | I314 | V312-I314 HydrophobicContact CB-CD1 3.77Å; V312-I314 HydrophobicContact CB-CG1 3.86Å; V312-I314 HydrophobicContact CG1-CD1 3.93Å; V312-I314 HydrophobicContact CG1-CG1 3.64Å; V312-I314 HydrophobicContact CG2-CD1 4.25Å; V312-I314 PolarHBondContact O-N 3.2Å | ||
| 313 | K | 76.2 | Confident | 86.5 | Confident | 212 Ų | 212 | 70.8 Ų | 70.8 | 92% | 0.922 | 37% | 0.371 | S | S | * | . | trans | -72.4 | 52.5 | 168.9 | -64.2 | -179.7 | 179.4 | 175.8 | 0 | 111.7 | ||||
| 314 | I | 87 | Confident | 86.8 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | trans | -78 | 141.4 | 173 | -68 | 160.4 | 0 | 0 | 0 | 108.4 | L280 F281 V312 A318 | L280-I314 HydrophobicContact CB-CD1 3.91Å; L280-I314 HydrophobicContact CD1-CG2 4.45Å; F281-I314 HydrophobicContact CD1-CD1 3.81Å; F281-I314 HydrophobicContact CE1-CD1 3.26Å; F281-I314 HydrophobicContact CE2-CD1 4.13Å; F281-I314 HydrophobicContact CG-CD1 4.45Å; F281-I314 HydrophobicContact CZ-CD1 3.41Å; F281-I314 VanDerWaalsContact CZ-CD1 3.41Å; V312-I314 HydrophobicContact CB-CD1 3.77Å; V312-I314 HydrophobicContact CB-CG1 3.86Å; V312-I314 HydrophobicContact CG1-CD1 3.93Å; V312-I314 HydrophobicContact CG1-CG1 3.64Å; V312-I314 HydrophobicContact CG2-CD1 4.25Å; V312-I314 PolarHBondContact O-N 3.2Å; I314-A318 HydrophobicContact CG2-CB 3.61Å | ||
| 315 | S | 92.1 | Very high | 87.2 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | trans | -67 | 149.1 | 179.6 | 79.1 | 0 | 0 | 0 | 0 | 112 | E179 S317 A318 C319 | E179-S315 VanDerWaalsContact CD-OG 3.31Å; E179-S315 WeakPolarHBondContact OE1-CB 3.47Å; E179-S315 PolarHBondContact OE1-OG 3.47Å; E179-S315 WeakPolarHBondContact OE2-CB 3.3Å; E179-S315 PolarHBondContact OE2-N 3Å; E179-S315 PolarHBondContact OE2-OG 2.86Å; S315-S317 PolarHBondContact O-N 3.3Å; S315-S317 PolarHBondContact OG-OG 3.21Å; S315-A318 PolarHBondContact O-N 3.48Å; S315-A318 VanDerWaalsContact O-N 3.09Å; S315-A318 PolarHBondContact OG-N 3.18Å; S315-A318 VanDerWaalsContact OG-N 3.07Å; S315-C319 PolarHBondContact O-N 3.1Å | ||
| 316 | E | 92.2 | Very high | 87.3 | Confident | 121 Ų | 121 | 60.2 Ų | 60.2 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.8 | -29.5 | 173.5 | -172.9 | 56.8 | -151 | 0 | 0 | 111.4 | A318 C319 D320 R323 | E316-A318 PolarHBondContact O-N 3.27Å; E316-C319 PolarHBondContact O-N 3.31Å; E316-D320 WeakPolarHBondContact O-CB 3.27Å; E316-D320 PolarHBondContact O-N 3.39Å; E316-R323 IonicContact OE1-CZ 3.79Å; E316-R323 IonicContact OE1-NH1 3.5Å; E316-R323 PolarHBondContact OE1-NH1 3.43Å; E316-R323 IonicContact OE1-NH2 2.65Å; E316-R323 PolarHBondContact OE1-NH2 3.44Å; E316-R323 IonicContact OE2-NH2 3.11Å |
| 317 | S | 94.4 | Very high | 87.6 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64 | -37.3 | 173.7 | 38.6 | 0 | 0 | 0 | 0 | 113 | S315 L321 H344 | S315-S317 PolarHBondContact O-N 3.3Å; S315-S317 PolarHBondContact OG-OG 3.21Å; S317-L321 PolarHBondContact O-N 3.46Å; S317-L321 VanDerWaalsContact O-N 3.08Å; S317-H344 PolarHBondContact O-CE1 3.23Å; S317-H344 VanDerWaalsContact O-CE1 3.26Å |
| 318 | A | 94.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.5 | -47.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | E179 M276 L280 I314 S315 E316 D320 L321 I322 F346 | E179-A318 HydrophobicContact CG-CB 4.38Å; M276-A318 HydrophobicContact CE-CB 3.95Å; L280-A318 HydrophobicContact CD1-CB 4.14Å; I314-A318 HydrophobicContact CG2-CB 3.61Å; S315-A318 PolarHBondContact O-N 3.48Å; S315-A318 VanDerWaalsContact O-N 3.09Å; S315-A318 PolarHBondContact OG-N 3.18Å; S315-A318 VanDerWaalsContact OG-N 3.07Å; E316-A318 PolarHBondContact O-N 3.27Å; A318-D320 VanDerWaalsContact C-N 3.3Å; A318-D320 PolarHBondContact O-N 3.09Å; A318-L321 PolarHBondContact O-N 3.23Å; A318-I322 WeakPolarHBondContact O-CG1 3.39Å; A318-I322 PolarHBondContact O-N 3Å; A318-I322 VanDerWaalsContact O-N 3.08Å; A318-F346 HydrophobicContact CB-CD2 3.68Å; A318-F346 HydrophobicContact CB-CE2 3.59Å |
| 319 | C | 94 | Very high | 88.3 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 176 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | I307 S315 E316 I322 R323 | I307-C319 HydrophobicContact CD1-CB 3.97Å; S315-C319 PolarHBondContact O-N 3.1Å; E316-C319 PolarHBondContact O-N 3.31Å; C319-I322 PolarHBondContact O-N 3.42Å; C319-R323 WeakPolarHBondContact O-CG 3.36Å; C319-R323 PolarHBondContact O-N 3.34Å |
| 320 | D | 95.2 | Very high | 89 | Confident | 57 Ų | 57 | 58 Ų | 58 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 177.9 | -165 | 57 | 0 | 0 | 0 | 112.3 | E316 A318 R323 H324 H344 | E316-D320 WeakPolarHBondContact O-CB 3.27Å; E316-D320 PolarHBondContact O-N 3.39Å; A318-D320 VanDerWaalsContact C-N 3.3Å; A318-D320 PolarHBondContact O-N 3.09Å; D320-R323 PolarHBondContact O-N 3.23Å; D320-R323 IonicContact OD1-NH1 3.88Å; D320-H324 PolarHBondContact O-N 3.24Å; D320-H324 VanDerWaalsContact O-N 3.13Å; D320-H324 PolarHBondContact O-ND1 3.37Å; D320-H324 IonicContact OD1-CE1 2.76Å; D320-H324 IonicContact OD1-ND1 3.95Å; D320-H324 IonicContact OD2-CE1 3.41Å; D320-H324 PolarHBondContact OD2-CE1 3.26Å; D320-H324 IonicContact OD2-ND1 3.17Å; D320-H344 IonicContact OD2-NE2 3.42Å; D320-H344 PolarHBondContact OD2-NE2 3.15Å |
| 321 | L | 97.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 173.8 | -177.5 | 55.4 | 0 | 0 | 0 | 111 | M276 S317 A318 R323 H324 L325 L341 H344 F346 F347 | M276-L321 HydrophobicContact CE-CB 4.24Å; M276-L321 HydrophobicContact CE-CD2 3.99Å; M276-L321 HydrophobicContact CE-CG 4.42Å; M276-L321 HydrophobicContact SD-CB 4.38Å; M276-L321 HydrophobicContact SD-CD2 3.7Å; M276-L321 HydrophobicContact SD-CG 4.01Å; S317-L321 PolarHBondContact O-N 3.46Å; S317-L321 VanDerWaalsContact O-N 3.08Å; A318-L321 PolarHBondContact O-N 3.23Å; L321-R323 VanDerWaalsContact C-N 3.26Å; L321-R323 PolarHBondContact O-N 3Å; L321-H324 CarbonylContact O-C 3.52Å; L321-H324 PolarHBondContact O-N 3.29Å; L321-L325 HydrophobicContact CD1-CD1 4.2Å; L321-L325 HydrophobicContact CD1-CG 4.2Å; L321-L325 HydrophobicContact CG-CD1 3.94Å; L321-L325 HydrophobicContact CG-CG 4.38Å; L321-L325 WeakPolarHBondContact O-CG 3.35Å; L321-L325 PolarHBondContact O-N 2.8Å; L321-L341 HydrophobicContact CD1-CD2 4.14Å; L321-H344 VanDerWaalsContact CB-CE1 3.49Å; L321-H344 WeakPolarHBondContact CB-CE1 3.26Å; L321-H344 HydrophobicContact CD1-CB 4.41Å; L321-H344 PolarHBondContact N-CE1 2.73Å; L321-F346 HydrophobicContact CB-CB 4.22Å; L321-F346 HydrophobicContact CD2-CB 3.95Å; L321-F346 HydrophobicContact CD2-CD1 3.38Å; L321-F346 HydrophobicContact CD2-CE1 4.12Å; L321-F346 HydrophobicContact CD2-CG 3.87Å; L321-F347 HydrophobicContact CD1-CE2 4.23Å; L321-F347 HydrophobicContact CD2-CD2 4.4Å; L321-F347 HydrophobicContact CD2-CE1 4.43Å; L321-F347 HydrophobicContact CD2-CE2 3.49Å; L321-F347 VanDerWaalsContact CD2-CE2 3.49Å; L321-F347 HydrophobicContact CD2-CZ 3.51Å |
| 322 | I | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 178.1 | -62.3 | 170.2 | 0 | 0 | 0 | 110.3 | M276 Y277 L280 F281 F305 A318 C319 H324 L325 I326 | M276-I322 HydrophobicContact CE-CD1 4.43Å; M276-I322 HydrophobicContact CE-CG1 4.01Å; M276-I322 HydrophobicContact CG-CD1 4.31Å; M276-I322 HydrophobicContact CG-CG1 3.99Å; M276-I322 HydrophobicContact SD-CG1 3.82Å; Y277-I322 HydrophobicContact CD2-CD1 4.46Å; Y277-I322 HydrophobicContact CD2-CG2 4.23Å; L280-I322 HydrophobicContact CD1-CD1 4.03Å; F281-I322 HydrophobicContact CE2-CD1 3.9Å; F305-I322 HydrophobicContact CE2-CG2 4.13Å; F305-I322 HydrophobicContact CZ-CG2 3.62Å; A318-I322 WeakPolarHBondContact O-CG1 3.39Å; A318-I322 PolarHBondContact O-N 3Å; A318-I322 VanDerWaalsContact O-N 3.08Å; C319-I322 PolarHBondContact O-N 3.42Å; I322-H324 VanDerWaalsContact C-N 3.28Å; I322-H324 PolarHBondContact O-N 2.79Å; I322-L325 PolarHBondContact O-N 2.95Å; I322-L325 VanDerWaalsContact O-N 3.15Å; I322-I326 HydrophobicContact CG2-CD1 3.73Å; I322-I326 HydrophobicContact CG2-CG1 4.1Å; I322-I326 PolarHBondContact O-N 3.36Å |
| 323 | R | 96.3 | Very high | 93.7 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 35% | 0.351 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.9 | -30 | 176.1 | -68.8 | 179.4 | -152.4 | 113.2 | -3.9 | 113.3 | F305 I307 E316 C319 D320 L321 C327 | F305-R323 HydrophobicContact CE1-CG 4.25Å; I307-R323 HydrophobicContact CD1-CG 3.9Å; E316-R323 IonicContact OE1-CZ 3.79Å; E316-R323 IonicContact OE1-NH1 3.5Å; E316-R323 PolarHBondContact OE1-NH1 3.43Å; E316-R323 IonicContact OE1-NH2 2.65Å; E316-R323 PolarHBondContact OE1-NH2 3.44Å; E316-R323 IonicContact OE2-NH2 3.11Å; C319-R323 WeakPolarHBondContact O-CG 3.36Å; C319-R323 PolarHBondContact O-N 3.34Å; D320-R323 PolarHBondContact O-N 3.23Å; D320-R323 IonicContact OD1-NH1 3.88Å; L321-R323 VanDerWaalsContact C-N 3.26Å; L321-R323 PolarHBondContact O-N 3Å; R323-C327 WeakPolarHBondContact O-CB 3.27Å |
| 324 | H | 96.4 | Very high | 94.5 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 27% | 0.269 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -83.2 | -16.9 | 175.5 | -71.9 | 97.7 | 0 | 0 | 0 | 113.5 | D320 L321 I322 C327 R332 F333 | D320-H324 PolarHBondContact O-N 3.24Å; D320-H324 VanDerWaalsContact O-N 3.13Å; D320-H324 PolarHBondContact O-ND1 3.37Å; D320-H324 IonicContact OD1-CE1 2.76Å; D320-H324 IonicContact OD1-ND1 3.95Å; D320-H324 IonicContact OD2-CE1 3.41Å; D320-H324 PolarHBondContact OD2-CE1 3.26Å; D320-H324 IonicContact OD2-ND1 3.17Å; L321-H324 CarbonylContact O-C 3.52Å; L321-H324 PolarHBondContact O-N 3.29Å; I322-H324 VanDerWaalsContact C-N 3.28Å; I322-H324 PolarHBondContact O-N 2.79Å; H324-C327 PolarHBondContact O-SG 3.09Å; H324-R332 WeakPolarHBondContact O-CA 3.48Å; H324-R332 WeakPolarHBondContact O-CG 3.3Å; H324-F333 HydrophobicContact CB-CD1 3.95Å; H324-F333 HydrophobicContact CB-CD2 3.93Å; H324-F333 HydrophobicContact CB-CE1 4.11Å; H324-F333 HydrophobicContact CB-CE2 4.09Å; H324-F333 HydrophobicContact CB-CG 3.85Å; H324-F333 HydrophobicContact CB-CZ 4.17Å; H324-F333 AromaticContact CD2-CD1 3.97Å; H324-F333 AromaticContact CD2-CE1 3.34Å; H324-F333 WeakPolarHBondContact CD2-CE1 3.31Å; H324-F333 AromaticContact CD2-CZ 3.47Å; H324-F333 VanDerWaalsContact CD2-CZ 3.47Å; H324-F333 WeakPolarHBondContact CD2-CZ 3.19Å; H324-F333 AromaticContact CG-CE1 3.88Å; H324-F333 AromaticContact CG-CZ 3.76Å; H324-F333 AromaticContact NE2-CZ 3.96Å; H324-F333 PolarHBondContact O-N 2.91Å; H324-F333 VanDerWaalsContact O-N 3.17Å |
| 325 | L | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -90.1 | -48.9 | 172.8 | -65.4 | 173.7 | 0 | 0 | 0 | 111.9 | Y269 L272 M276 L321 I322 C327 R332 L341 | Y269-L325 WeakPolarHBondContact O-CD2 3.5Å; L272-L325 HydrophobicContact CD2-CD1 4.45Å; L272-L325 HydrophobicContact CG-CD1 4.42Å; M276-L325 HydrophobicContact SD-CD1 4.41Å; L321-L325 HydrophobicContact CD1-CD1 4.2Å; L321-L325 HydrophobicContact CD1-CG 4.2Å; L321-L325 HydrophobicContact CG-CD1 3.94Å; L321-L325 HydrophobicContact CG-CG 4.38Å; L321-L325 WeakPolarHBondContact O-CG 3.35Å; L321-L325 PolarHBondContact O-N 2.8Å; I322-L325 PolarHBondContact O-N 2.95Å; I322-L325 VanDerWaalsContact O-N 3.15Å; L325-C327 VanDerWaalsContact C-N 3.33Å; L325-C327 PolarHBondContact O-N 3.4Å; L325-C327 VanDerWaalsContact O-N 3.15Å; L325-R332 WeakPolarHBondContact O-CD 3.43Å; L325-R332 VanDerWaalsContact O-CG 3.31Å; L325-R332 WeakPolarHBondContact O-CG 3.28Å; L325-R332 PolarHBondContact O-NE 3.09Å; L325-L341 HydrophobicContact CD2-CD2 3.74Å |
| 326 | I | 97.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -89.6 | 70.9 | 176.5 | -52.7 | -176.5 | 0 | 0 | 0 | 109.2 | W270 V274 P285 F286 F305 I322 | W270-I326 HydrophobicContact CE3-CG2 4.26Å; W270-I326 HydrophobicContact CH2-CG2 3.56Å; W270-I326 HydrophobicContact CZ2-CG2 4.02Å; W270-I326 HydrophobicContact CZ3-CB 4.33Å; W270-I326 HydrophobicContact CZ3-CG2 3.69Å; V274-I326 HydrophobicContact CG2-CD1 4.37Å; P285-I326 HydrophobicContact CG-CD1 3.93Å; F286-I326 HydrophobicContact CE2-CG2 3.94Å; F286-I326 HydrophobicContact CZ-CG2 3.69Å; F305-I326 HydrophobicContact CD1-CG2 4.15Å; F305-I326 HydrophobicContact CD2-CD1 4.26Å; F305-I326 HydrophobicContact CD2-CG2 3.89Å; F305-I326 HydrophobicContact CE1-CB 4.29Å; F305-I326 HydrophobicContact CE1-CG2 4.35Å; F305-I326 HydrophobicContact CE2-CB 4.3Å; F305-I326 HydrophobicContact CE2-CD1 3.7Å; F305-I326 HydrophobicContact CE2-CG2 4.12Å; F305-I326 HydrophobicContact CG-CG2 3.93Å; F305-I326 HydrophobicContact CZ-CB 4.17Å; F305-I326 HydrophobicContact CZ-CD1 4.16Å; F305-I326 HydrophobicContact CZ-CG2 4.35Å; I322-I326 HydrophobicContact CG2-CD1 3.73Å; I322-I326 HydrophobicContact CG2-CG1 4.1Å; I322-I326 PolarHBondContact O-N 3.36Å |
| 327 | C | 95.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 49.5 Ų | 49.5 | 16% | 0.155 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -144.9 | -178.5 | 173.9 | 68 | 0 | 0 | 0 | 0 | 111.8 | R323 H324 L325 R329 R332 | R323-C327 WeakPolarHBondContact O-CB 3.27Å; H324-C327 PolarHBondContact O-SG 3.09Å; L325-C327 VanDerWaalsContact C-N 3.33Å; L325-C327 PolarHBondContact O-N 3.4Å; L325-C327 VanDerWaalsContact O-N 3.15Å; C327-R329 PolarHBondContact O-N 2.75Å; C327-R332 PolarHBondContact O-NH2 3.1Å; C327-R332 VanDerWaalsContact SG-CA 3.59Å |
| 328 | D | 94.1 | Very high | 94.4 | Very high | 45 Ų | 45 | 48.3 Ų | 48.3 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | trans | -56.1 | 129.7 | 173 | -176.8 | -89.7 | 0 | 0 | 0 | 110.2 | F301 K330 R331 R332 | F301-D328 HydrophobicContact CZ-CB 4.33Å; D328-K330 PolarHBondContact O-N 2.97Å; D328-K330 WeakPolarHBondContact OD1-CB 3.15Å; D328-K330 VanDerWaalsContact OD1-CG 3.24Å; D328-K330 WeakPolarHBondContact OD1-CG 3.28Å; D328-K330 PolarHBondContact OD1-N 2.9Å; D328-R331 PolarHBondContact O-N 2.85Å; D328-R332 PolarHBondContact O-N 3.14Å | ||
| 329 | R | 93.2 | Very high | 94.4 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 17% | 0.174 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46 | -27 | -179.9 | 62.9 | 171.7 | -70.7 | 171.2 | -3.9 | 114.6 | T262 E266 C327 R331 R335 | T262-R329 PolarHBondContact O-NH1 3.39Å; E266-R329 HydrophobicContact CG-CB 3.98Å; E266-R329 IonicContact OE1-CZ 3.67Å; E266-R329 IonicContact OE1-NE 2.77Å; E266-R329 PolarHBondContact OE1-NE 3.45Å; E266-R329 IonicContact OE1-NH1 2.67Å; E266-R329 IonicContact OE1-NH2 3.1Å; E266-R329 PolarHBondContact OE1-NH2 3.11Å; C327-R329 PolarHBondContact O-N 2.75Å; R329-R331 VanDerWaalsContact C-N 3.31Å; R329-R331 PolarHBondContact O-N 2.97Å; R329-R335 VanDerWaalsContact O-CD 3.3Å; R329-R335 WeakPolarHBondContact O-CD 3.48Å |
| 330 | K | 91.7 | Very high | 94.5 | Very high | 142 Ų | 142 | 56.8 Ų | 56.8 | 62% | 0.617 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -26.3 | -177.6 | -65.1 | 170.6 | -175.8 | 167.2 | 0 | 113.1 | D328 R335 | D328-K330 PolarHBondContact O-N 2.97Å; D328-K330 WeakPolarHBondContact OD1-CB 3.15Å; D328-K330 VanDerWaalsContact OD1-CG 3.24Å; D328-K330 WeakPolarHBondContact OD1-CG 3.28Å; D328-K330 PolarHBondContact OD1-N 2.9Å; K330-R335 VanDerWaalsContact CA-NH1 3.27Å; K330-R335 PolarHBondContact O-NH1 2.96Å |
| 331 | R | 94 | Very high | 94.5 | Very high | 213 Ų | 213 | 54 Ų | 54 | 80% | 0.804 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | -2.8 | -176.7 | -60.9 | -177.1 | -179.4 | -178.2 | 1.5 | 113.1 | D328 R329 | D328-R331 PolarHBondContact O-N 2.85Å; R329-R331 VanDerWaalsContact C-N 3.31Å; R329-R331 PolarHBondContact O-N 2.97Å |
| 332 | R | 97.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | trans | -63.7 | 134.1 | -177.6 | -166 | -179.9 | -60 | 136.2 | 1 | 111.4 | E251 E266 W270 H324 L325 C327 D328 R335 | E251-R332 IonicContact OE1-CZ 3.85Å; E251-R332 IonicContact OE1-NH1 2.68Å; E251-R332 PolarHBondContact OE1-NH1 2.98Å; E251-R332 IonicContact OE1-NH2 3.04Å; E251-R332 IonicContact OE2-CZ 3.78Å; E251-R332 IonicContact OE2-NH1 2.7Å; E251-R332 IonicContact OE2-NH2 3.33Å; E251-R332 PolarHBondContact OE2-NH2 2.83Å; E266-R332 VanDerWaalsContact C-NH1 3.29Å; E266-R332 WeakPolarHBondContact O-CD 3.2Å; E266-R332 PolarHBondContact O-NH1 2.77Å; W270-R332 VanDerWaalsContact CE3-NH2 3.34Å; H324-R332 WeakPolarHBondContact O-CA 3.48Å; H324-R332 WeakPolarHBondContact O-CG 3.3Å; L325-R332 WeakPolarHBondContact O-CD 3.43Å; L325-R332 VanDerWaalsContact O-CG 3.31Å; L325-R332 WeakPolarHBondContact O-CG 3.28Å; L325-R332 PolarHBondContact O-NE 3.09Å; C327-R332 PolarHBondContact O-NH2 3.1Å; C327-R332 VanDerWaalsContact SG-CA 3.59Å; D328-R332 PolarHBondContact O-N 3.14Å; R332-R335 VanDerWaalsContact O-CB 3.28Å; R332-R335 WeakPolarHBondContact O-CB 3.3Å; R332-R335 PolarHBondContact O-N 2.96Å | ||
| 333 | F | 95 | Very high | 94.3 | Very high | 43 Ų | 43 | 60 Ų | 60 | 19% | 0.189 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 145.2 | 177 | -78.1 | 14.6 | 0 | 0 | 0 | 111.4 | H324 R335 E340 L341 H344 | H324-F333 HydrophobicContact CB-CD1 3.95Å; H324-F333 HydrophobicContact CB-CD2 3.93Å; H324-F333 HydrophobicContact CB-CE1 4.11Å; H324-F333 HydrophobicContact CB-CE2 4.09Å; H324-F333 HydrophobicContact CB-CG 3.85Å; H324-F333 HydrophobicContact CB-CZ 4.17Å; H324-F333 AromaticContact CD2-CD1 3.97Å; H324-F333 AromaticContact CD2-CE1 3.34Å; H324-F333 WeakPolarHBondContact CD2-CE1 3.31Å; H324-F333 AromaticContact CD2-CZ 3.47Å; H324-F333 VanDerWaalsContact CD2-CZ 3.47Å; H324-F333 WeakPolarHBondContact CD2-CZ 3.19Å; H324-F333 AromaticContact CG-CE1 3.88Å; H324-F333 AromaticContact CG-CZ 3.76Å; H324-F333 AromaticContact NE2-CZ 3.96Å; H324-F333 PolarHBondContact O-N 2.91Å; H324-F333 VanDerWaalsContact O-N 3.17Å; F333-R335 VanDerWaalsContact C-N 3.3Å; F333-E340 HydrophobicContact CB-CB 4.34Å; F333-E340 HydrophobicContact CD2-CB 4.41Å; F333-E340 HydrophobicContact CG-CB 4.22Å; F333-L341 HydrophobicContact CB-CD2 3.61Å; F333-L341 HydrophobicContact CB-CG 4.15Å; F333-L341 HydrophobicContact CD2-CD2 4.43Å; F333-H344 AromaticContact CE2-CD2 3.79Å |
| 334 | G | 92.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | 92.6 | -15.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | G337 E340 | G334-G337 PolarHBondContact O-N 3.41Å; G334-E340 PolarHBondContact N-OE2 2.86Å; G334-E340 VanDerWaalsContact N-OE2 3.08Å |
| 335 | R | 91 | Very high | 94.3 | Very high | 106 Ų | 106 | 56.1 Ų | 56.1 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -42.6 | 175.1 | -179.9 | 178.9 | -180 | -148.6 | -1.6 | 112.4 | E266 R329 K330 R332 F333 G337 | E266-R335 HydrophobicContact CB-CB 4.09Å; E266-R335 HydrophobicContact CB-CG 4.44Å; R329-R335 VanDerWaalsContact O-CD 3.3Å; R329-R335 WeakPolarHBondContact O-CD 3.48Å; K330-R335 VanDerWaalsContact CA-NH1 3.27Å; K330-R335 PolarHBondContact O-NH1 2.96Å; R332-R335 VanDerWaalsContact O-CB 3.28Å; R332-R335 WeakPolarHBondContact O-CB 3.3Å; R332-R335 PolarHBondContact O-N 2.96Å; F333-R335 VanDerWaalsContact C-N 3.3Å; R335-G337 VanDerWaalsContact C-N 3.3Å |
| 336 | N | 89.2 | Confident | 94.3 | Very high | 124 Ų | 124 | 56.3 Ų | 56.3 | 66% | 0.663 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 14.2 | -179.9 | -51.7 | -56.1 | 0 | 0 | 0 | 112.4 | E340 | N336-E340 WeakPolarHBondContact CB-OE1 3.44Å; N336-E340 PolarHBondContact N-OE2 2.65Å; N336-E340 PolarHBondContact ND2-OE1 3.42Å |
| 337 | G | 90.8 | Very high | 94.3 | Very high | 30 Ų | 30 | 56.3 Ų | 56.3 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | 117.4 | 162.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G334 R335 D339 E340 | G334-G337 PolarHBondContact O-N 3.41Å; R335-G337 VanDerWaalsContact C-N 3.3Å; G337-D339 PolarHBondContact O-N 3.18Å; G337-E340 PolarHBondContact O-N 3.12Å |
| 338 | I | 93.9 | Very high | 94.2 | Very high | 16 Ų | 16 | 60.9 Ų | 60.9 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.4 | -176.8 | -170.6 | 171.7 | 0 | 0 | 0 | 113.8 | V190 L191 D194 E340 L341 K342 | V190-I338 HydrophobicContact CG1-CD1 3.61Å; V190-I338 HydrophobicContact CG1-CG1 3.68Å; L191-I338 HydrophobicContact CD2-CD1 4.08Å; D194-I338 HydrophobicContact CB-CB 4.4Å; D194-I338 HydrophobicContact CB-CD1 3.53Å; D194-I338 HydrophobicContact CB-CG1 4.33Å; I338-E340 PolarHBondContact O-N 3.25Å; I338-L341 WeakPolarHBondContact O-CA 3.27Å; I338-L341 WeakPolarHBondContact O-CB 3.3Å; I338-L341 PolarHBondContact O-N 2.88Å; I338-K342 HydrophobicContact CG1-CD 4.41Å; I338-K342 HydrophobicContact CG1-CG 4.09Å; I338-K342 PolarHBondContact O-N 3.4Å |
| 339 | D | 94.7 | Very high | 94.1 | Very high | 126 Ų | 126 | 62.7 Ų | 62.7 | 67% | 0.674 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.1 | -29.5 | -177.1 | -65.9 | -34.1 | 0 | 0 | 0 | 113.1 | G337 L341 K342 G343 | G337-D339 PolarHBondContact O-N 3.18Å; D339-L341 VanDerWaalsContact C-N 3.25Å; D339-L341 PolarHBondContact O-N 3.31Å; D339-K342 PolarHBondContact O-N 3.27Å; D339-G343 PolarHBondContact O-N 3.02Å |
| 340 | E | 94.9 | Very high | 94.2 | Very high | 61 Ų | 61 | 61.8 Ų | 61.8 | 29% | 0.285 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -37.3 | 173.2 | -67.1 | -179 | 150.6 | 0 | 0 | 111.6 | F333 G334 N336 G337 I338 | F333-E340 HydrophobicContact CB-CB 4.34Å; F333-E340 HydrophobicContact CD2-CB 4.41Å; F333-E340 HydrophobicContact CG-CB 4.22Å; G334-E340 PolarHBondContact N-OE2 2.86Å; G334-E340 VanDerWaalsContact N-OE2 3.08Å; N336-E340 WeakPolarHBondContact CB-OE1 3.44Å; N336-E340 PolarHBondContact N-OE2 2.65Å; N336-E340 PolarHBondContact ND2-OE1 3.42Å; G337-E340 PolarHBondContact O-N 3.12Å; I338-E340 PolarHBondContact O-N 3.25Å |
| 341 | L | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -77 | -49.2 | 177.1 | -65.5 | 165.9 | 0 | 0 | 0 | 110.3 | V190 Y269 L321 L325 F333 I338 D339 G343 H344 F347 | V190-L341 HydrophobicContact CG1-CB 4.23Å; V190-L341 HydrophobicContact CG1-CD1 4.05Å; V190-L341 HydrophobicContact CG2-CD1 4.26Å; Y269-L341 HydrophobicContact CD1-CD1 3.54Å; Y269-L341 HydrophobicContact CE1-CD1 3.32Å; Y269-L341 HydrophobicContact CG-CD1 4.29Å; L321-L341 HydrophobicContact CD1-CD2 4.14Å; L325-L341 HydrophobicContact CD2-CD2 3.74Å; F333-L341 HydrophobicContact CB-CD2 3.61Å; F333-L341 HydrophobicContact CB-CG 4.15Å; F333-L341 HydrophobicContact CD2-CD2 4.43Å; I338-L341 WeakPolarHBondContact O-CA 3.27Å; I338-L341 WeakPolarHBondContact O-CB 3.3Å; I338-L341 PolarHBondContact O-N 2.88Å; D339-L341 VanDerWaalsContact C-N 3.25Å; D339-L341 PolarHBondContact O-N 3.31Å; L341-G343 PolarHBondContact O-N 2.82Å; L341-H344 VanDerWaalsContact O-CB 3.31Å; L341-H344 WeakPolarHBondContact O-CB 3.29Å; L341-H344 PolarHBondContact O-N 3.42Å; L341-F347 WeakPolarHBondContact O-CD2 3.4Å; L341-F347 WeakPolarHBondContact O-CE2 3.47Å |
| 342 | K | 95.6 | Very high | 94.4 | Very high | 58 Ų | 58 | 48.9 Ų | 48.9 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.3 | -33.5 | -178.9 | -66.1 | -171.1 | 173.8 | -177.1 | 0 | 113.5 | I338 D339 H344 W352 | I338-K342 HydrophobicContact CG1-CD 4.41Å; I338-K342 HydrophobicContact CG1-CG 4.09Å; I338-K342 PolarHBondContact O-N 3.4Å; D339-K342 PolarHBondContact O-N 3.27Å; K342-H344 VanDerWaalsContact C-N 3.32Å; K342-W352 HydrophobicContact CB-CD2 4.37Å; K342-W352 HydrophobicContact CB-CZ2 4.06Å; K342-W352 HydrophobicContact CD-CB 4.36Å; K342-W352 HydrophobicContact CD-CD2 3.92Å; K342-W352 HydrophobicContact CD-CE3 4.34Å; K342-W352 HydrophobicContact CD-CG 3.91Å; K342-W352 HydrophobicContact CG-CD2 3.71Å; K342-W352 HydrophobicContact CG-CE3 4.08Å; K342-W352 HydrophobicContact CG-CG 4.16Å; K342-W352 HydrophobicContact CG-CH2 4.2Å; K342-W352 HydrophobicContact CG-CZ2 3.85Å; K342-W352 HydrophobicContact CG-CZ3 4.3Å |
| 343 | G | 94.4 | Very high | 94.2 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D339 L341 | D339-G343 PolarHBondContact O-N 3.02Å; L341-G343 PolarHBondContact O-N 2.82Å |
| 344 | H | 97.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 58 Ų | 58 | 7% | 0.069 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -75.6 | 143.6 | -176.4 | -170.5 | -96.3 | 0 | 0 | 0 | 112.5 | S317 D320 L321 F333 L341 K342 F346 F347 | S317-H344 PolarHBondContact O-CE1 3.23Å; S317-H344 VanDerWaalsContact O-CE1 3.26Å; D320-H344 IonicContact OD2-NE2 3.42Å; D320-H344 PolarHBondContact OD2-NE2 3.15Å; L321-H344 VanDerWaalsContact CB-CE1 3.49Å; L321-H344 WeakPolarHBondContact CB-CE1 3.26Å; L321-H344 HydrophobicContact CD1-CB 4.41Å; L321-H344 PolarHBondContact N-CE1 2.73Å; F333-H344 AromaticContact CE2-CD2 3.79Å; L341-H344 VanDerWaalsContact O-CB 3.31Å; L341-H344 WeakPolarHBondContact O-CB 3.29Å; L341-H344 PolarHBondContact O-N 3.42Å; K342-H344 VanDerWaalsContact C-N 3.32Å; H344-F346 WeakPolarHBondContact ND1-CB 3.38Å; H344-F346 PolarHBondContact ND1-N 3.21Å; H344-F346 PolarHBondContact O-N 2.93Å; H344-F346 VanDerWaalsContact O-N 3.07Å; H344-F347 HydrophobicContact CB-CD2 4.09Å; H344-F347 HydrophobicContact CB-CE2 4.47Å; H344-F347 PolarHBondContact O-N 2.64Å |
| 345 | A | 96.3 | Very high | 94.3 | Very high | 53 Ų | 53 | 57.9 Ų | 57.9 | 44% | 0.438 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -59.6 | -26.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F347 N348 | A345-F347 PolarHBondContact O-N 3.12Å; A345-N348 WeakPolarHBondContact O-CB 3.46Å; A345-N348 VanDerWaalsContact O-CG 3.25Å; A345-N348 PolarHBondContact O-N 2.86Å; A345-N348 PolarHBondContact O-ND2 3.48Å |
| 346 | F | 96.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -60.8 | -31 | 174.3 | -179.1 | -107.9 | 0 | 0 | 0 | 112.7 | E179 V182 Q183 M276 A318 L321 H344 N348 | E179-F346 HydrophobicContact CG-CE2 3.86Å; V182-F346 HydrophobicContact CG1-CZ 4.37Å; Q183-F346 HydrophobicContact CB-CE1 4.15Å; Q183-F346 HydrophobicContact CB-CZ 3.88Å; Q183-F346 HydrophobicContact CG-CD1 4.48Å; Q183-F346 HydrophobicContact CG-CE1 4.09Å; Q183-F346 HydrophobicContact CG-CZ 4.18Å; Q183-F346 PolarHBondContact NE2-O 3.15Å; M276-F346 HydrophobicContact CE-CD1 4.07Å; M276-F346 HydrophobicContact CE-CD2 4.15Å; M276-F346 HydrophobicContact CE-CE1 3.71Å; M276-F346 HydrophobicContact CE-CE2 3.82Å; M276-F346 HydrophobicContact CE-CG 4.27Å; M276-F346 HydrophobicContact CE-CZ 3.58Å; M276-F346 HydrophobicContact SD-CE1 4.48Å; A318-F346 HydrophobicContact CB-CD2 3.68Å; A318-F346 HydrophobicContact CB-CE2 3.59Å; L321-F346 HydrophobicContact CB-CB 4.22Å; L321-F346 HydrophobicContact CD2-CB 3.95Å; L321-F346 HydrophobicContact CD2-CD1 3.38Å; L321-F346 HydrophobicContact CD2-CE1 4.12Å; L321-F346 HydrophobicContact CD2-CG 3.87Å; H344-F346 WeakPolarHBondContact ND1-CB 3.38Å; H344-F346 PolarHBondContact ND1-N 3.21Å; H344-F346 PolarHBondContact O-N 2.93Å; H344-F346 VanDerWaalsContact O-N 3.07Å; F346-N348 VanDerWaalsContact C-N 3.34Å |
| 347 | F | 96.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -95.1 | 15.5 | -178.9 | -57.6 | -72.2 | 0 | 0 | 0 | 113.4 | V186 S187 V190 L321 L341 H344 A345 G349 I350 W352 | V186-F347 HydrophobicContact CB-CE1 4.43Å; V186-F347 HydrophobicContact CG1-CE1 3.91Å; V186-F347 HydrophobicContact CG1-CZ 3.83Å; S187-F347 VanDerWaalsContact OG-CD1 3.23Å; S187-F347 WeakPolarHBondContact OG-CD1 3.27Å; S187-F347 WeakPolarHBondContact OG-CE1 3.29Å; V190-F347 HydrophobicContact CG2-CZ 4.26Å; L321-F347 HydrophobicContact CD1-CE2 4.23Å; L321-F347 HydrophobicContact CD2-CD2 4.4Å; L321-F347 HydrophobicContact CD2-CE1 4.43Å; L321-F347 HydrophobicContact CD2-CE2 3.49Å; L321-F347 VanDerWaalsContact CD2-CE2 3.49Å; L321-F347 HydrophobicContact CD2-CZ 3.51Å; L341-F347 WeakPolarHBondContact O-CD2 3.4Å; L341-F347 WeakPolarHBondContact O-CE2 3.47Å; H344-F347 HydrophobicContact CB-CD2 4.09Å; H344-F347 HydrophobicContact CB-CE2 4.47Å; H344-F347 PolarHBondContact O-N 2.64Å; A345-F347 PolarHBondContact O-N 3.12Å; F347-G349 PolarHBondContact O-N 2.9Å; F347-I350 HydrophobicContact CB-CG1 4.23Å; F347-I350 HydrophobicContact CD1-CG1 4.49Å; F347-I350 WeakPolarHBondContact O-CB 3.28Å; F347-I350 WeakPolarHBondContact O-CG1 3.34Å; F347-I350 PolarHBondContact O-N 2.91Å; F347-I350 VanDerWaalsContact O-N 3.11Å; F347-W352 HydrophobicContact CB-CH2 4.44Å; F347-W352 HydrophobicContact CB-CZ2 3.59Å; F347-W352 AromaticContact CD1-CH2 3.81Å; F347-W352 HydrophobicContact CD1-CH2 3.81Å; F347-W352 AromaticContact CD1-CZ2 3.81Å; F347-W352 HydrophobicContact CD1-CZ2 3.81Å; F347-W352 HydrophobicContact CD2-CH2 4.32Å; F347-W352 HydrophobicContact CD2-CZ2 4.01Å; F347-W352 HydrophobicContact CE1-CH2 4.02Å; F347-W352 HydrophobicContact CE1-CZ2 4.44Å; F347-W352 HydrophobicContact CE2-CH2 4.49Å; F347-W352 AromaticContact CG-CH2 3.95Å; F347-W352 HydrophobicContact CG-CH2 3.95Å; F347-W352 AromaticContact CG-CZ2 3.54Å; F347-W352 HydrophobicContact CG-CZ2 3.54Å; F347-W352 HydrophobicContact CZ-CH2 4.34Å |
| 348 | N | 93.8 | Very high | 94.7 | Very high | 120 Ų | 120 | 59 Ų | 59 | 64% | 0.642 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 123.5 | 175.3 | -81.3 | -21.8 | 0 | 0 | 0 | 110.9 | Q183 A345 F346 | Q183-N348 PolarHBondContact NE2-O 3.44Å; A345-N348 WeakPolarHBondContact O-CB 3.46Å; A345-N348 VanDerWaalsContact O-CG 3.25Å; A345-N348 PolarHBondContact O-N 2.86Å; A345-N348 PolarHBondContact O-ND2 3.48Å; F346-N348 VanDerWaalsContact C-N 3.34Å |
| 349 | G | 92.2 | Very high | 94.5 | Very high | 83 Ų | 83 | 65 Ų | 65 | 86% | 0.856 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95 | -3.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | F347 | F347-G349 PolarHBondContact O-N 2.9Š|
| 350 | I | 95 | Very high | 94.5 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 14% | 0.138 | 34% | 0.335 | C | S | . | . | trans | -77.9 | 128 | 174.3 | -59.8 | -61.5 | 0 | 0 | 0 | 110.3 | Q183 F347 W352 I355 | Q183-I350 HydrophobicContact CG-CD1 4.01Å; Q183-I350 HydrophobicContact CG-CG1 4.22Å; F347-I350 HydrophobicContact CB-CG1 4.23Å; F347-I350 HydrophobicContact CD1-CG1 4.49Å; F347-I350 WeakPolarHBondContact O-CB 3.28Å; F347-I350 WeakPolarHBondContact O-CG1 3.34Å; F347-I350 PolarHBondContact O-N 2.91Å; F347-I350 VanDerWaalsContact O-N 3.11Å; I350-W352 HydrophobicContact CG2-CD2 4.01Å; I350-W352 HydrophobicContact CG2-CE3 4.41Å; I350-W352 HydrophobicContact CG2-CG 4.31Å; I350-W352 HydrophobicContact CG2-CZ2 4.39Å; I350-I355 HydrophobicContact CG2-CD1 4.12Å | ||
| 351 | D | 94.9 | Very high | 94.4 | Very high | 56 Ų | 56 | 59.3 Ų | 59.3 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | trans | -91 | 94.6 | 170.3 | -179.7 | -12.5 | 0 | 0 | 0 | 108.5 | E353 H354 I355 | D351-E353 VanDerWaalsContact C-N 3.26Å; D351-E353 PolarHBondContact O-N 3.48Å; D351-E353 PolarHBondContact OD1-N 2.92Å; D351-H354 IonicContact OD1-CG 3.09Å; D351-H354 PolarHBondContact OD1-N 3.14Å; D351-H354 VanDerWaalsContact OD1-N 3.1Å; D351-H354 IonicContact OD1-ND1 3.7Å; D351-H354 PolarHBondContact OD1-ND1 2.9Å; D351-H354 VanDerWaalsContact OD1-ND1 3.09Å; D351-H354 IonicContact OD2-CG 3.19Å; D351-H354 IonicContact OD2-ND1 3.05Å; D351-H354 PolarHBondContact OD2-ND1 2.76Å; D351-I355 WeakPolarHBondContact O-CB 3.44Å; D351-I355 PolarHBondContact O-N 3.26Å | ||
| 352 | W | 95 | Very high | 94.1 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 11% | 0.106 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27.3 | -174.2 | -66.9 | 97.9 | 0 | 0 | 0 | 113.2 | S187 V190 L191 K342 F347 I350 | S187-W352 WeakPolarHBondContact O-CZ3 3.46Å; V190-W352 HydrophobicContact CB-CH2 4.37Å; V190-W352 HydrophobicContact CB-CZ3 4.17Å; V190-W352 HydrophobicContact CG1-CH2 4.2Å; V190-W352 HydrophobicContact CG1-CZ3 4.02Å; L191-W352 HydrophobicContact CD1-CE3 4.12Å; L191-W352 HydrophobicContact CD2-CE3 3.94Å; L191-W352 HydrophobicContact CD2-CZ3 4.46Å; L191-W352 HydrophobicContact CG-CE3 3.91Å; L191-W352 HydrophobicContact CG-CZ3 4.16Å; K342-W352 HydrophobicContact CB-CD2 4.37Å; K342-W352 HydrophobicContact CB-CZ2 4.06Å; K342-W352 HydrophobicContact CD-CB 4.36Å; K342-W352 HydrophobicContact CD-CD2 3.92Å; K342-W352 HydrophobicContact CD-CE3 4.34Å; K342-W352 HydrophobicContact CD-CG 3.91Å; K342-W352 HydrophobicContact CG-CD2 3.71Å; K342-W352 HydrophobicContact CG-CE3 4.08Å; K342-W352 HydrophobicContact CG-CG 4.16Å; K342-W352 HydrophobicContact CG-CH2 4.2Å; K342-W352 HydrophobicContact CG-CZ2 3.85Å; K342-W352 HydrophobicContact CG-CZ3 4.3Å; F347-W352 HydrophobicContact CB-CH2 4.44Å; F347-W352 HydrophobicContact CB-CZ2 3.59Å; F347-W352 AromaticContact CD1-CH2 3.81Å; F347-W352 HydrophobicContact CD1-CH2 3.81Å; F347-W352 AromaticContact CD1-CZ2 3.81Å; F347-W352 HydrophobicContact CD1-CZ2 3.81Å; F347-W352 HydrophobicContact CD2-CH2 4.32Å; F347-W352 HydrophobicContact CD2-CZ2 4.01Å; F347-W352 HydrophobicContact CE1-CH2 4.02Å; F347-W352 HydrophobicContact CE1-CZ2 4.44Å; F347-W352 HydrophobicContact CE2-CH2 4.49Å; F347-W352 AromaticContact CG-CH2 3.95Å; F347-W352 HydrophobicContact CG-CH2 3.95Å; F347-W352 AromaticContact CG-CZ2 3.54Å; F347-W352 HydrophobicContact CG-CZ2 3.54Å; F347-W352 HydrophobicContact CZ-CH2 4.34Å; I350-W352 HydrophobicContact CG2-CD2 4.01Å; I350-W352 HydrophobicContact CG2-CE3 4.41Å; I350-W352 HydrophobicContact CG2-CG 4.31Å; I350-W352 HydrophobicContact CG2-CZ2 4.39Å |
| 353 | E | 92.4 | Very high | 93.9 | Very high | 147 Ų | 147 | 63 Ų | 63 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -35.3 | -177.4 | -68.8 | 73.6 | -161.1 | 0 | 0 | 112.4 | D351 | D351-E353 VanDerWaalsContact C-N 3.26Å; D351-E353 PolarHBondContact O-N 3.48Å; D351-E353 PolarHBondContact OD1-N 2.92Å |
| 354 | H | 94.2 | Very high | 93.7 | Very high | 89 Ų | 89 | 60.1 Ų | 60.1 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 14.2 | -175 | -46.6 | 91.5 | 0 | 0 | 0 | 114 | D351 H356 E357 Q358 | D351-H354 IonicContact OD1-CG 3.09Å; D351-H354 PolarHBondContact OD1-N 3.14Å; D351-H354 VanDerWaalsContact OD1-N 3.1Å; D351-H354 IonicContact OD1-ND1 3.7Å; D351-H354 PolarHBondContact OD1-ND1 2.9Å; D351-H354 VanDerWaalsContact OD1-ND1 3.09Å; D351-H354 IonicContact OD2-CG 3.19Å; D351-H354 IonicContact OD2-ND1 3.05Å; D351-H354 PolarHBondContact OD2-ND1 2.76Å; H354-H356 PolarHBondContact O-N 3.03Å; H354-H356 VanDerWaalsContact O-N 3.17Å; H354-E357 HydrophobicContact CB-CB 4.47Å; H354-E357 HydrophobicContact CB-CG 4.48Å; H354-E357 IonicContact CD2-OE2 3.83Å; H354-E357 WeakPolarHBondContact O-CA 3.47Å; H354-E357 WeakPolarHBondContact O-CB 3.29Å; H354-E357 PolarHBondContact O-N 2.95Å; H354-Q358 PolarHBondContact O-N 3.44Å |
| 355 | I | 94.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -55.5 | -35.6 | -179.5 | -167.9 | 170.4 | 0 | 0 | 0 | 112.8 | W140 F184 E188 L191 I350 D351 E357 Q358 | W140-I355 HydrophobicContact CH2-CG2 3.86Å; W140-I355 HydrophobicContact CZ2-CG2 4.35Å; F184-I355 HydrophobicContact CD2-CD1 4.33Å; F184-I355 HydrophobicContact CD2-CG1 4.32Å; F184-I355 HydrophobicContact CE2-CD1 4.23Å; F184-I355 HydrophobicContact CE2-CG1 3.77Å; F184-I355 HydrophobicContact CZ-CG1 4.16Å; E188-I355 HydrophobicContact CG-CD1 3.92Å; E188-I355 HydrophobicContact CG-CG1 4.35Å; L191-I355 HydrophobicContact CD1-CG2 3.54Å; I350-I355 HydrophobicContact CG2-CD1 4.12Å; D351-I355 WeakPolarHBondContact O-CB 3.44Å; D351-I355 PolarHBondContact O-N 3.26Å; I355-E357 PolarHBondContact O-N 2.58Å; I355-Q358 WeakPolarHBondContact O-CB 3.21Å; I355-Q358 PolarHBondContact O-N 2.83Å; I355-Q358 VanDerWaalsContact O-N 3.08Å |
| 356 | H | 92.7 | Very high | 92.7 | Very high | 52 Ų | 52 | 66.9 Ų | 66.9 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -72.7 | -12.9 | 178 | -165 | 7.1 | 0 | 0 | 0 | 113.3 | L139 W140 H218 H354 | L139-H356 VanDerWaalsContact CD1-CD2 3.48Å; L139-H356 WeakPolarHBondContact CD1-CD2 3.28Å; W140-H356 HydrophobicContact CH2-CB 4.26Å; H218-H356 AromaticContact CD2-CE1 3.63Å; H218-H356 AromaticContact CD2-ND1 3.35Å; H218-H356 PolarHBondContact CD2-ND1 3.38Å; H218-H356 AromaticContact CE1-ND1 3.55Å; H218-H356 PolarHBondContact CE1-O 3.07Å; H218-H356 AromaticContact CG-CE1 3.69Å; H218-H356 AromaticContact CG-ND1 3.38Å; H218-H356 AromaticContact ND1-ND1 3.49Å; H218-H356 PolarHBondContact ND1-ND1 2.93Å; H218-H356 AromaticContact NE2-ND1 3.46Å; H218-H356 PolarHBondContact NE2-ND1 2.95Å; H218-H356 PolarHBondContact NE2-O 3.48Å; H218-H356 VanDerWaalsContact NE2-O 3.14Å; H354-H356 PolarHBondContact O-N 3.03Å; H354-H356 VanDerWaalsContact O-N 3.17Å |
| 357 | E | 93.2 | Very high | 92.1 | Very high | 158 Ų | 158 | 72.7 Ų | 72.7 | 74% | 0.738 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -89.5 | -12.6 | 172 | -55.3 | -177.5 | 172.6 | 0 | 0 | 112 | H354 I355 | H354-E357 HydrophobicContact CB-CB 4.47Å; H354-E357 HydrophobicContact CB-CG 4.48Å; H354-E357 IonicContact CD2-OE2 3.83Å; H354-E357 WeakPolarHBondContact O-CA 3.47Å; H354-E357 WeakPolarHBondContact O-CB 3.29Å; H354-E357 PolarHBondContact O-N 2.95Å; I355-E357 PolarHBondContact O-N 2.58Å |
| 358 | Q | 93.3 | Very high | 91.6 | Very high | 74 Ų | 74 | 74.4 Ų | 74.4 | 35% | 0.346 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -80.7 | 149.8 | 177.1 | -59 | -175.7 | 3.4 | 0 | 0 | 110.9 | F184 H218 H354 I355 P360 | F184-Q358 HydrophobicContact CE2-CB 4.4Å; H218-Q358 PolarHBondContact CE1-O 3.32Å; H218-Q358 PolarHBondContact NE2-O 3.39Å; H354-Q358 PolarHBondContact O-N 3.44Å; I355-Q358 WeakPolarHBondContact O-CB 3.21Å; I355-Q358 PolarHBondContact O-N 2.83Å; I355-Q358 VanDerWaalsContact O-N 3.08Å; Q358-P360 VanDerWaalsContact O-CD 3.3Å; Q358-P360 WeakPolarHBondContact O-CD 3.18Å |
| 359 | I | 91.5 | Very high | 91.1 | Very high | 142 Ų | 142 | 73 Ų | 73 | 73% | 0.728 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 121.5 | 175.9 | -59.7 | 171.3 | 0 | 0 | 0 | 108.5 | I363 | I359-I363 HydrophobicContact CG2-CD1 3.89Š|
| 360 | P | 93.9 | Very high | 90.7 | Very high | 7 Ų | 7 | 72.3 Ų | 72.3 | 5% | 0.045 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 147.9 | 177.5 | -27.3 | 37.9 | 0 | 0 | 0 | 112.7 | F184 S216 G217 Q358 Y362 | F184-P360 HydrophobicContact CE1-CB 3.73Å; F184-P360 HydrophobicContact CE1-CG 4.02Å; F184-P360 HydrophobicContact CZ-CB 4Å; F184-P360 HydrophobicContact CZ-CG 3.98Å; S216-P360 WeakPolarHBondContact O-CD 3.45Å; S216-P360 WeakPolarHBondContact O-CG 3.11Å; G217-P360 VanDerWaalsContact C-CG 3.48Å; Q358-P360 VanDerWaalsContact O-CD 3.3Å; Q358-P360 WeakPolarHBondContact O-CD 3.18Å; P360-Y362 VanDerWaalsContact C-N 3.25Å; P360-Y362 PolarHBondContact O-N 3.36Å |
| 361 | P | 91.8 | Very high | 90.3 | Very high | 60 Ų | 60 | 71.7 Ų | 71.7 | 39% | 0.39 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -66.6 | -25.2 | -178.4 | 26.6 | -35.2 | 0 | 0 | 0 | 113.6 | I181 F184 Y185 | I181-P361 HydrophobicContact CB-CG 4.31Å; I181-P361 HydrophobicContact CD1-CB 4.48Å; I181-P361 HydrophobicContact CG1-CB 3.98Å; I181-P361 HydrophobicContact CG1-CG 4.33Å; I181-P361 HydrophobicContact CG2-CB 4.39Å; I181-P361 HydrophobicContact CG2-CG 3.92Å; F184-P361 HydrophobicContact CB-CG 3.93Å; F184-P361 HydrophobicContact CD1-CG 4.05Å; F184-P361 VanDerWaalsContact CG-CD 3.47Å; F184-P361 HydrophobicContact CG-CG 3.99Å; Y185-P361 HydrophobicContact CE2-CG 4.16Å |
| 362 | Y | 90.3 | Very high | 89.8 | Confident | 40 Ų | 40 | 69.3 Ų | 69.3 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | trans | -121.1 | 124.9 | 172.9 | 174 | -92.1 | 0 | 0 | 0 | 109.6 | M169 K172 F173 Y185 G217 P360 P364 | M169-Y362 HydrophobicContact CE-CD1 3.46Å; M169-Y362 VanDerWaalsContact CE-CD1 3.46Å; M169-Y362 HydrophobicContact CE-CE1 4.01Å; M169-Y362 HydrophobicContact CE-CG 4.19Å; M169-Y362 HydrophobicContact CG-CD1 4.15Å; M169-Y362 HydrophobicContact CG-CE1 4.09Å; M169-Y362 HydrophobicContact SD-CD1 4.28Å; K172-Y362 WeakPolarHBondContact CD-OH 3.27Å; K172-Y362 PolarHBondContact NZ-OH 2.83Å; F173-Y362 AromaticContact CE2-CD2 3.79Å; F173-Y362 HydrophobicContact CE2-CD2 3.79Å; F173-Y362 HydrophobicContact CE2-CE2 4.2Å; F173-Y362 HydrophobicContact CE2-CG 4.18Å; F173-Y362 AromaticContact CZ-CD2 3.7Å; F173-Y362 HydrophobicContact CZ-CD2 3.7Å; F173-Y362 HydrophobicContact CZ-CE2 4.37Å; F173-Y362 HydrophobicContact CZ-CG 4.28Å; Y185-Y362 WeakPolarHBondContact OH-CB 3.21Å; Y185-Y362 PolarHBondContact OH-O 2.59Å; G217-Y362 WeakPolarHBondContact CA-O 3.09Å; P360-Y362 VanDerWaalsContact C-N 3.25Å; P360-Y362 PolarHBondContact O-N 3.36Å; Y362-P364 HydrophobicContact CE1-CB 4Å | ||
| 363 | I | 90.9 | Very high | 89.2 | Confident | 95 Ų | 95 | 71.8 Ų | 71.8 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | trans | -112.2 | 118 | 174.5 | -58.6 | 175.5 | 0 | 0 | 0 | 106.7 | I359 | I359-I363 HydrophobicContact CG2-CD1 3.89Š| ||
| 364 | P | 89.5 | Confident | 88.7 | Confident | 7 Ų | 7 | 65 Ų | 65 | 5% | 0.045 | 35% | 0.35 | C | S | . | . | trans | -65.8 | 141.2 | -179.1 | 24.8 | -31.4 | 0 | 0 | 0 | 111.1 | Q214 Y362 V366 | Q214-P364 WeakPolarHBondContact O-CG 3.3Å; Y362-P364 HydrophobicContact CE1-CB 4Å; P364-V366 HydrophobicContact CB-CG2 4.43Å; P364-V366 HydrophobicContact CG-CG2 4.49Å; P364-V366 PolarHBondContact O-N 2.85Å | ||
| 365 | E | 86.1 | Confident | 88 | Confident | 164 Ų | 164 | 61.6 Ų | 61.6 | 77% | 0.766 | 33% | 0.334 | S | S | * | . | trans | -73 | 117.2 | 172.2 | -64.9 | -175.1 | 176.7 | 0 | 0 | 109.2 | N374 | E365-N374 PolarHBondContact O-ND2 2.93Š| ||
| 366 | V | 87.4 | Confident | 87 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 29% | 0.285 | 36% | 0.36 | S | S | . | . | trans | -129.8 | 119.7 | -178.5 | 175.1 | 0 | 0 | 0 | 0 | 108.5 | N162 P364 S368 D371 | N162-V366 HydrophobicContact CB-CG1 4.27Å; N162-V366 WeakPolarHBondContact ND2-CG1 3.29Å; P364-V366 HydrophobicContact CB-CG2 4.43Å; P364-V366 HydrophobicContact CG-CG2 4.49Å; P364-V366 PolarHBondContact O-N 2.85Å; V366-S368 WeakPolarHBondContact CG1-O 3.27Å; V366-D371 HydrophobicContact CG1-CB 4.26Å | ||
| 367 | T | 84.4 | Confident | 85.7 | Confident | 126 Ų | 126 | 69.3 Ų | 69.3 | 77% | 0.773 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -91.6 | -29.9 | -176.2 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | D371 | T367-D371 WeakPolarHBondContact CB-OD2 3.43Å; T367-D371 PolarHBondContact N-OD2 3Å; T367-D371 PolarHBondContact OG1-OD2 2.85Å |
| 368 | S | 85.6 | Confident | 84.3 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 27% | 0.273 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -151.2 | 164.5 | -179.5 | 67.7 | 0 | 0 | 0 | 0 | 112.2 | N162 V366 D370 D371 | N162-S368 PolarHBondContact ND2-O 3.22Å; V366-S368 WeakPolarHBondContact CG1-O 3.27Å; S368-D370 WeakPolarHBondContact CB-OD1 3.44Å; S368-D370 PolarHBondContact O-N 3.49Å; S368-D370 PolarHBondContact OG-OD1 3.02Å; S368-D371 WeakPolarHBondContact O-CB 3.16Å; S368-D371 PolarHBondContact O-N 3.18Å; S368-D371 VanDerWaalsContact O-N 3.13Å; S368-D371 PolarHBondContact OG-N 2.78Å |
| 369 | P | 83.8 | Confident | 82.7 | Confident | 91 Ų | 91 | 71.4 Ų | 71.4 | 59% | 0.591 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24.6 | 176.7 | -24.1 | 35.3 | 0 | 0 | 0 | 114.5 | I103 F160 | I103-P369 HydrophobicContact CG1-CB 4.29Å; F160-P369 WeakPolarHBondContact CD1-O 3.32Å; F160-P369 WeakPolarHBondContact CE1-O 3.41Å |
| 370 | D | 84.8 | Confident | 80.9 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 11.9 | 176.2 | 61.4 | -29.8 | 0 | 0 | 0 | 113.1 | I81 I103 S368 T372 | I81-D370 HydrophobicContact CD1-CB 3.95Å; I103-D370 HydrophobicContact CD1-CB 3.98Å; I103-D370 HydrophobicContact CG1-CB 4.08Å; I103-D370 HydrophobicContact CG2-CB 4.44Å; S368-D370 WeakPolarHBondContact CB-OD1 3.44Å; S368-D370 PolarHBondContact O-N 3.49Å; S368-D370 PolarHBondContact OG-OD1 3.02Å; D370-T372 WeakPolarHBondContact O-CG2 3.36Å; D370-T372 PolarHBondContact O-N 3.46Å |
| 371 | D | 85.1 | Confident | 79 | Confident | 14 Ų | 14 | 72.7 Ų | 72.7 | 8% | 0.075 | 41% | 0.407 | C | S | . | . | trans | -63.5 | 122.5 | 179 | -166.4 | -14.3 | 0 | 0 | 0 | 110.7 | F160 V366 T367 S368 S373 | F160-D371 WeakPolarHBondContact CZ-O 3.24Å; V366-D371 HydrophobicContact CG1-CB 4.26Å; T367-D371 WeakPolarHBondContact CB-OD2 3.43Å; T367-D371 PolarHBondContact N-OD2 3Å; T367-D371 PolarHBondContact OG1-OD2 2.85Å; S368-D371 WeakPolarHBondContact O-CB 3.16Å; S368-D371 PolarHBondContact O-N 3.18Å; S368-D371 VanDerWaalsContact O-N 3.13Å; S368-D371 PolarHBondContact OG-N 2.78Å; D371-S373 WeakPolarHBondContact OD1-CB 3.36Å; D371-S373 PolarHBondContact OD1-N 3.17Å; D371-S373 PolarHBondContact OD1-OG 3.35Å; D371-S373 PolarHBondContact OD2-OG 2.78Å | ||
| 372 | T | 85 | Confident | 77.7 | Confident | 7 Ų | 7 | 73.3 Ų | 73.3 | 4% | 0.043 | 40% | 0.402 | C | S | . | . | trans | -114.2 | 13.7 | 177.6 | 80.7 | 0 | 0 | 0 | 0 | 112.2 | R82 I84 V94 F160 D370 N374 F375 | R82-T372 HydrophobicContact CB-CG2 4.25Å; R82-T372 WeakPolarHBondContact CD-OG1 3.45Å; R82-T372 HydrophobicContact CG-CG2 4.5Å; R82-T372 PolarHBondContact NH1-OG1 2.69Å; I84-T372 HydrophobicContact CG2-CG2 4.06Å; V94-T372 HydrophobicContact CG2-CG2 3.95Å; F160-T372 HydrophobicContact CZ-CG2 4.32Å; D370-T372 WeakPolarHBondContact O-CG2 3.36Å; D370-T372 PolarHBondContact O-N 3.46Å; T372-N374 PolarHBondContact O-N 3.36Å; T372-F375 PolarHBondContact O-N 3.26Å | ||
| 373 | S | 82 | Confident | 76.4 | Confident | 80 Ų | 80 | 78.9 Ų | 78.9 | 56% | 0.559 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19 | -177.2 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | D371 F375 | D371-S373 WeakPolarHBondContact OD1-CB 3.36Å; D371-S373 PolarHBondContact OD1-N 3.17Å; D371-S373 PolarHBondContact OD1-OG 3.35Å; D371-S373 PolarHBondContact OD2-OG 2.78Å; S373-F375 VanDerWaalsContact C-N 3.31Å |
| 374 | N | 82 | Confident | 75.2 | Confident | 4 Ų | 4 | 77.7 Ų | 77.7 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 14.4 | 175.7 | -60.8 | -52.2 | 0 | 0 | 0 | 113.7 | N162 G163 G164 T168 K172 E365 T372 | N162-N374 PolarHBondContact O-ND2 3.32Å; N162-N374 VanDerWaalsContact O-ND2 3.13Å; G163-N374 WeakPolarHBondContact O-CB 3.46Å; G164-N374 WeakPolarHBondContact CA-O 3.37Å; T168-N374 WeakPolarHBondContact CG2-O 3.47Å; T168-N374 PolarHBondContact OG1-O 2.76Å; K172-N374 PolarHBondContact NZ-OD1 3.45Å; E365-N374 PolarHBondContact O-ND2 2.93Å; T372-N374 PolarHBondContact O-N 3.36Å |
| 375 | F | 79.7 | Confident | 73.7 | Confident | 17 Ų | 17 | 83.1 Ų | 83.1 | 8% | 0.075 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -124.1 | 139.8 | 175.2 | -69.5 | -83.9 | 0 | 0 | 0 | 110.2 | I84 F160 Y161 L212 T372 S373 I377 | I84-F375 HydrophobicContact CB-CB 4.42Å; I84-F375 HydrophobicContact CB-CD1 4.41Å; I84-F375 HydrophobicContact CB-CG 4.26Å; I84-F375 HydrophobicContact CD1-CE1 4.38Å; I84-F375 HydrophobicContact CD1-CZ 4.32Å; I84-F375 HydrophobicContact CG2-CB 4.37Å; I84-F375 HydrophobicContact CG2-CD2 4.33Å; I84-F375 HydrophobicContact CG2-CG 4.3Å; F160-F375 HydrophobicContact CE2-CD2 4.33Å; F160-F375 AromaticContact CE2-CE2 3.5Å; F160-F375 HydrophobicContact CE2-CE2 3.5Å; F160-F375 VanDerWaalsContact CE2-CE2 3.5Å; F160-F375 AromaticContact CE2-CZ 3.95Å; F160-F375 HydrophobicContact CE2-CZ 3.95Å; F160-F375 HydrophobicContact CZ-CD2 4.43Å; F160-F375 AromaticContact CZ-CE2 3.79Å; F160-F375 HydrophobicContact CZ-CE2 3.79Å; Y161-F375 WeakPolarHBondContact O-CE2 3.35Å; Y161-F375 WeakPolarHBondContact O-CZ 3.34Å; L212-F375 HydrophobicContact CD2-CE1 4.48Å; T372-F375 PolarHBondContact O-N 3.26Å; S373-F375 VanDerWaalsContact C-N 3.31Å; F375-I377 PolarHBondContact O-N 3.14Å |
| 376 | D | 73.4 | Confident | 72.6 | Confident | 104 Ų | 104 | 77.5 Ų | 77.5 | 56% | 0.556 | 44% | 0.437 | S | S | * | . | trans | -70.8 | 124.7 | 169.1 | -81.4 | -24.1 | 0 | 0 | 0 | 110.6 | E378 | D376-E378 PolarHBondContact O-N 2.86Š| ||
| 377 | I | 66.8 | Low | 71.4 | Confident | 111 Ų | 111 | 77 Ų | 77 | 57% | 0.569 | 44% | 0.435 | S | S | * | . | trans | -85.5 | 108.8 | -171.4 | -57.7 | 172.9 | 0 | 0 | 0 | 110 | F375 | F375-I377 PolarHBondContact O-N 3.14Š| ||
| 378 | E | 62.8 | Low | 70.3 | Confident | 98 Ų | 98 | 72.6 Ų | 72.6 | 46% | 0.458 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -91.3 | 141.5 | 170.7 | -61.1 | -167.3 | 139.6 | 0 | 0 | 112.3 | L83 S86 D376 | L83-E378 WeakPolarHBondContact CD2-O 3.44Å; S86-E378 VanDerWaalsContact CB-OE2 3.31Å; S86-E378 WeakPolarHBondContact CB-OE2 3.24Å; S86-E378 PolarHBondContact N-OE2 2.73Å; D376-E378 PolarHBondContact O-N 2.86Å |
| 379 | Q | 59.4 | Low | 68.7 | Low | 179 Ų | 179 | 78.4 Ų | 78.4 | 84% | 0.836 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -93.3 | 120.8 | 165.5 | -69 | -179.1 | 18.7 | 0 | 0 | 108.8 | S381 | Q379-S381 PolarHBondContact O-N 3.28Š|
| 380 | S | 53.8 | Low | 67.5 | Low | 61 Ų | 61 | 75.5 Ų | 75.5 | 43% | 0.427 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 122.1 | 175.1 | 73.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 381 | S | 55.1 | Low | 66 | Low | 114 Ų | 114 | 78.4 Ų | 78.4 | 80% | 0.797 | 45% | 0.445 | S | S | * | . | trans | -107.7 | 18.2 | 177.7 | 36.1 | 0 | 0 | 0 | 0 | 111.8 | Q379 N383 | Q379-S381 PolarHBondContact O-N 3.28Å; S381-N383 PolarHBondContact O-N 2.67Å | ||
| 382 | R | 64.3 | Low | 64.9 | Low | 74 Ų | 74 | 83.6 Ų | 83.6 | 28% | 0.279 | 47% | 0.472 | S | S | . | . | trans | -79.3 | 122.6 | -174.8 | -74.9 | -172.5 | 176.9 | 159.6 | 8.8 | 113.1 | G87 D91 | G87-R382 VanDerWaalsContact C-NH2 3.28Å; G87-R382 PolarHBondContact O-NH1 2.62Å; G87-R382 PolarHBondContact O-NH2 3.16Å; D91-R382 IonicContact OD1-NH1 3.35Å | ||
| 383 | N | 63 | Low | 64.2 | Low | 156 Ų | 156 | 89 Ų | 89 | 83% | 0.834 | 50% | 0.495 | S | S | * | . | trans | -90.8 | 106 | 158.4 | -68.6 | -36.1 | 0 | 0 | 0 | 108.1 | S381 E385 | S381-N383 PolarHBondContact O-N 2.67Å; N383-E385 PolarHBondContact O-N 2.96Å | ||
| 384 | H | 65.5 | Low | 63.5 | Low | 71 Ų | 71 | 92.6 Ų | 92.6 | 33% | 0.329 | 50% | 0.496 | S | S | . | . | trans | -69.6 | 125.3 | 172 | -62.7 | -66.6 | 0 | 0 | 0 | 109.7 | H110 D113 F153 | H110-H384 AromaticContact CD2-CG 3.99Å; H110-H384 AromaticContact CD2-ND1 3.98Å; H110-H384 AromaticContact CG-CG 3.99Å; H110-H384 AromaticContact CG-ND1 3.54Å; H110-H384 AromaticContact ND1-ND1 3.91Å; D113-H384 IonicContact OD2-CE1 3.54Å; D113-H384 IonicContact OD2-CG 2.64Å; D113-H384 IonicContact OD2-ND1 3.74Å; D113-H384 PolarHBondContact OD2-ND1 2.97Å; F153-H384 AromaticContact CE1-NE2 3.94Å | ||
| 385 | E | 58.4 | Low | 63.1 | Low | 120 Ų | 120 | 92.9 Ų | 92.9 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | trans | -81.8 | 146.2 | 171.6 | -72.2 | -175 | -167.7 | 0 | 0 | 110.2 | H110 K116 N383 | H110-E385 PolarHBondContact CE1-O 3.25Å; H110-E385 VanDerWaalsContact CE1-O 3.24Å; K116-E385 IonicContact NZ-OE2 3.2Å; K116-E385 PolarHBondContact NZ-OE2 2.91Å; N383-E385 PolarHBondContact O-N 2.96Å | ||
| 386 | G | 62.9 | Low | 63 | Low | 46 Ų | 46 | 92.4 Ų | 92.4 | 47% | 0.474 | 50% | 0.499 | S | S | . | . | trans | -65.5 | -178.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 387 | P | 62.1 | Low | 63.6 | Low | 36 Ų | 36 | 87.5 Ų | 87.5 | 23% | 0.234 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -48.9 | 137.3 | 173 | 18.3 | -30.4 | 0 | 0 | 0 | 110.8 | L45 Y112 L389 | L45-P387 HydrophobicContact CD2-CB 3.95Å; L45-P387 HydrophobicContact CD2-CG 3.94Å; Y112-P387 HydrophobicContact CD1-CB 3.98Å; Y112-P387 HydrophobicContact CE1-CB 3.55Å; Y112-P387 HydrophobicContact CE2-CB 4.2Å; Y112-P387 HydrophobicContact CE2-CG 4.41Å; Y112-P387 HydrophobicContact CG-CB 4.47Å; P387-L389 PolarHBondContact O-N 2.98Å; P387-L389 VanDerWaalsContact O-N 3.09Å |
| 388 | P | 61.5 | Low | 64.5 | Low | 35 Ų | 35 | 84.8 Ų | 84.8 | 23% | 0.227 | 46% | 0.461 | C | S | . | . | trans | -55.4 | 121.6 | 178.3 | 21.5 | -31.1 | 0 | 0 | 0 | 109.4 | Q47 G390 | Q47-P388 PolarHBondContact NE2-O 2.94Å; P388-G390 PolarHBondContact O-N 3.05Å; P388-G390 VanDerWaalsContact O-N 3.12Å | ||
| 389 | L | 52.1 | Low | 65.5 | Low | 160 Ų | 160 | 82.4 Ų | 82.4 | 84% | 0.838 | 46% | 0.458 | S | S | * | . | trans | -76.9 | 96.1 | 178 | -63.7 | 173.8 | 0 | 0 | 0 | 108.5 | P387 | P387-L389 PolarHBondContact O-N 2.98Å; P387-L389 VanDerWaalsContact O-N 3.09Å | ||
| 390 | G | 57.5 | Low | 66.8 | Low | 30 Ų | 30 | 74 Ų | 74 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -153.5 | 158.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q47 P388 I392 | Q47-G390 WeakPolarHBondContact CG-O 3.45Å; Q47-G390 PolarHBondContact NE2-O 3.43Å; Q47-G390 PolarHBondContact OE1-O 3.21Å; P388-G390 PolarHBondContact O-N 3.05Å; P388-G390 VanDerWaalsContact O-N 3.12Å; G390-I392 PolarHBondContact O-N 3.11Å |
| 391 | P | 53.3 | Low | 68.5 | Low | 130 Ų | 130 | 72 Ų | 72 | 84% | 0.844 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -73.6 | -8.7 | -179.1 | 28.6 | -33.3 | 0 | 0 | 0 | 113.9 | ||
| 392 | I | 62.8 | Low | 69.9 | Low | 123 Ų | 123 | 66.8 Ų | 66.8 | 63% | 0.631 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -93.1 | 124.9 | -169.9 | -55.5 | 171.6 | 0 | 0 | 0 | 110.3 | G390 R394 | G390-I392 PolarHBondContact O-N 3.11Å; I392-R394 PolarHBondContact O-N 3.22Å |
| 393 | F | 69.1 | Low | 71.1 | Confident | 120 Ų | 120 | 63.2 Ų | 63.2 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | trans | -60.7 | 113.2 | 169.1 | 174.8 | -98.6 | 0 | 0 | 0 | 109.9 | E42 H48 V398 | E42-F393 HydrophobicContact CG-CD2 4.44Å; E42-F393 HydrophobicContact CG-CE2 3.82Å; H48-F393 AromaticContact NE2-CD2 3.81Å; F393-V398 HydrophobicContact CZ-CG2 4.01Å | ||
| 394 | R | 67.9 | Low | 72.4 | Confident | 155 Ų | 155 | 56 Ų | 56 | 59% | 0.585 | 32% | 0.315 | S | S | * | . | trans | -97 | -6.1 | 176.6 | -69.9 | -166.1 | 179.8 | -159.4 | -0.8 | 113.5 | I392 C396 | I392-R394 PolarHBondContact O-N 3.22Å; R394-C396 PolarHBondContact O-N 2.9Å | ||
| 395 | G | 74.6 | Confident | 73.5 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | trans | 62 | 32.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q397 V398 A399 | G395-Q397 PolarHBondContact O-N 3.38Å; G395-V398 WeakPolarHBondContact O-CA 3.45Å; G395-V398 WeakPolarHBondContact O-CB 3.29Å; G395-V398 PolarHBondContact O-N 3.08Å; G395-V398 VanDerWaalsContact O-N 3.08Å; G395-A399 PolarHBondContact O-N 3.24Å | ||
| 396 | C | 77.7 | Confident | 74.9 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 5% | 0.054 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.6 | -50.6 | -172.7 | -65.5 | 0 | 0 | 0 | 0 | 112.7 | Y112 L115 R394 V398 | Y112-C396 HydrophobicContact CD1-CB 4.44Å; Y112-C396 HydrophobicContact CE1-CB 4.17Å; L115-C396 HydrophobicContact CD1-CB 3.28Å; L115-C396 VanDerWaalsContact CD1-SG 3.6Å; R394-C396 PolarHBondContact O-N 2.9Å; C396-V398 VanDerWaalsContact C-N 3.32Å |
| 397 | Q | 86.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.6 | -30.2 | 177.8 | -60.9 | -73.1 | -3.4 | 0 | 0 | 111 | C38 E42 Y112 E151 G395 A399 C400 | C38-Q397 HydrophobicContact CB-CB 4.05Å; C38-Q397 VanDerWaalsContact CB-O 3.29Å; C38-Q397 WeakPolarHBondContact CB-O 3.38Å; C38-Q397 VanDerWaalsContact O-CB 3.32Å; C38-Q397 WeakPolarHBondContact O-CB 3.31Å; C38-Q397 PolarHBondContact SG-O 3.06Å; C38-Q397 VanDerWaalsContact SG-O 3.35Å; E42-Q397 HydrophobicContact CB-CB 4.35Å; E42-Q397 WeakPolarHBondContact OE2-CB 3.42Å; E42-Q397 VanDerWaalsContact OE2-CG 3.29Å; E42-Q397 WeakPolarHBondContact OE2-CG 3.32Å; E42-Q397 PolarHBondContact OE2-N 3.41Å; Y112-Q397 PolarHBondContact OH-NE2 2.78Å; E151-Q397 PolarHBondContact O-NE2 3.16Å; G395-Q397 PolarHBondContact O-N 3.38Å; Q397-A399 VanDerWaalsContact C-N 3.3Å; Q397-A399 PolarHBondContact O-N 2.95Å; Q397-C400 WeakPolarHBondContact O-CB 3.5Å; Q397-C400 PolarHBondContact O-N 2.86Å; Q397-C400 VanDerWaalsContact O-N 3.09Å |
| 398 | V | 84.7 | Confident | 76.5 | Confident | 54 Ų | 54 | 52.3 Ų | 52.3 | 33% | 0.327 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 179.1 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | L39 F393 G395 C396 C400 I401 | L39-V398 HydrophobicContact CD2-CG2 4.18Å; F393-V398 HydrophobicContact CZ-CG2 4.01Å; G395-V398 WeakPolarHBondContact O-CA 3.45Å; G395-V398 WeakPolarHBondContact O-CB 3.29Å; G395-V398 PolarHBondContact O-N 3.08Å; G395-V398 VanDerWaalsContact O-N 3.08Å; C396-V398 VanDerWaalsContact C-N 3.32Å; V398-C400 PolarHBondContact O-N 3.39Å; V398-I401 HydrophobicContact CB-CD1 4.36Å; V398-I401 HydrophobicContact CG1-CD1 3.93Å; V398-I401 WeakPolarHBondContact O-CB 3.42Å; V398-I401 WeakPolarHBondContact O-CD1 3.34Å; V398-I401 VanDerWaalsContact O-CG1 3.27Å; V398-I401 WeakPolarHBondContact O-CG1 3.41Å; V398-I401 PolarHBondContact O-N 2.88Å |
| 399 | A | 83.5 | Confident | 77.3 | Confident | 49 Ų | 49 | 51.6 Ų | 51.6 | 41% | 0.405 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.8 | -30.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L115 F123 G395 Q397 I401 | L115-A399 HydrophobicContact CD2-CB 4.34Å; F123-A399 VanDerWaalsContact CZ-O 3.29Å; F123-A399 WeakPolarHBondContact CZ-O 3.41Å; G395-A399 PolarHBondContact O-N 3.24Å; Q397-A399 VanDerWaalsContact C-N 3.3Å; Q397-A399 PolarHBondContact O-N 2.95Å; A399-I401 VanDerWaalsContact C-N 3.26Å; A399-I401 PolarHBondContact O-N 3.01Å |
| 400 | C | 88.1 | Confident | 78 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.02 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 5.1 | -177.7 | -56.4 | 0 | 0 | 0 | 0 | 113.8 | Q149 L154 Q397 V398 F403 | Q149-C400 PolarHBondContact NE2-O 2.91Å; L154-C400 HydrophobicContact CD2-CB 4.1Å; Q397-C400 WeakPolarHBondContact O-CB 3.5Å; Q397-C400 PolarHBondContact O-N 2.86Å; Q397-C400 VanDerWaalsContact O-N 3.09Å; V398-C400 PolarHBondContact O-N 3.39Å; C400-F403 VanDerWaalsContact O-CB 3.32Å; C400-F403 WeakPolarHBondContact O-CB 3.17Å; C400-F403 PolarHBondContact O-N 2.92Å |
| 401 | I | 88.3 | Confident | 78.5 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 9% | 0.087 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 129.8 | 179.9 | -64.2 | 171.9 | 0 | 0 | 0 | 109.7 | Y31 D34 T35 C38 V398 A399 | Y31-I401 HydrophobicContact CD1-CG2 3.83Å; Y31-I401 HydrophobicContact CD2-CG2 4.17Å; Y31-I401 HydrophobicContact CE1-CG2 3.46Å; Y31-I401 VanDerWaalsContact CE1-CG2 3.46Å; Y31-I401 HydrophobicContact CE2-CG2 3.83Å; Y31-I401 HydrophobicContact CG-CG2 4.16Å; Y31-I401 VanDerWaalsContact CZ-CG2 3.46Å; D34-I401 HydrophobicContact CB-CG2 4.2Å; T35-I401 HydrophobicContact CG2-CD1 4.31Å; T35-I401 VanDerWaalsContact OG1-CG2 3.28Å; T35-I401 WeakPolarHBondContact OG1-CG2 3.48Å; C38-I401 HydrophobicContact CB-CD1 4.35Å; C38-I401 HydrophobicContact CB-CG1 3.74Å; V398-I401 HydrophobicContact CB-CD1 4.36Å; V398-I401 HydrophobicContact CG1-CD1 3.93Å; V398-I401 WeakPolarHBondContact O-CB 3.42Å; V398-I401 WeakPolarHBondContact O-CD1 3.34Å; V398-I401 VanDerWaalsContact O-CG1 3.27Å; V398-I401 WeakPolarHBondContact O-CG1 3.41Å; V398-I401 PolarHBondContact O-N 2.88Å; A399-I401 VanDerWaalsContact C-N 3.26Å; A399-I401 PolarHBondContact O-N 3.01Å |
| 402 | G | 85.6 | Confident | 79.2 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 9.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y31 D34 Q124 R127 | Y31-G402 VanDerWaalsContact CD2-CA 3.45Å; D34-G402 WeakPolarHBondContact OD2-CA 3.45Å; D34-G402 PolarHBondContact OD2-N 2.87Å; Q124-G402 PolarHBondContact NE2-O 3.03Å; R127-G402 PolarHBondContact NH1-O 2.83Å |
| 403 | F | 89.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -73.7 | -39.1 | 174.7 | -178 | -98.6 | 0 | 0 | 0 | 111.9 | D34 F123 R127 T147 F148 Q149 L154 Y155 F156 C400 F405 | D34-F403 PolarHBondContact OD2-N 3.16Å; F123-F403 HydrophobicContact CB-CE2 4.42Å; F123-F403 AromaticContact CD2-CD2 3.64Å; F123-F403 HydrophobicContact CD2-CD2 3.64Å; F123-F403 HydrophobicContact CD2-CE2 4.17Å; F123-F403 HydrophobicContact CE2-CD2 4.21Å; R127-F403 WeakPolarHBondContact CD-O 3.25Å; T147-F403 HydrophobicContact CG2-CZ 4.26Å; T147-F403 PolarHBondContact OG1-O 3.2Å; F148-F403 VanDerWaalsContact O-CE1 3.28Å; F148-F403 WeakPolarHBondContact O-CE1 3.49Å; Q149-F403 HydrophobicContact CB-CD1 4.1Å; L154-F403 HydrophobicContact CB-CD1 4.18Å; L154-F403 HydrophobicContact CB-CD2 4.48Å; L154-F403 HydrophobicContact CB-CE1 3.69Å; L154-F403 HydrophobicContact CB-CE2 4.01Å; L154-F403 HydrophobicContact CB-CZ 3.6Å; L154-F403 HydrophobicContact CD1-CD2 4Å; L154-F403 HydrophobicContact CD1-CE2 4.05Å; L154-F403 HydrophobicContact CD1-CG 4.34Å; L154-F403 HydrophobicContact CD1-CZ 4.49Å; L154-F403 HydrophobicContact CD2-CB 4.33Å; L154-F403 HydrophobicContact CD2-CD1 3.73Å; L154-F403 HydrophobicContact CD2-CD2 4.31Å; L154-F403 HydrophobicContact CD2-CE1 4.13Å; L154-F403 HydrophobicContact CD2-CG 3.83Å; L154-F403 HydrophobicContact CG-CD1 4.43Å; L154-F403 HydrophobicContact CG-CE1 4.41Å; L154-F403 HydrophobicContact CG-CE2 4.46Å; L154-F403 HydrophobicContact CG-CG 4.47Å; L154-F403 HydrophobicContact CG-CZ 4.44Å; Y155-F403 WeakPolarHBondContact O-CE1 3.33Å; F156-F403 HydrophobicContact CD1-CZ 4.41Å; F156-F403 HydrophobicContact CD2-CE2 4.42Å; F156-F403 AromaticContact CD2-CZ 3.98Å; F156-F403 HydrophobicContact CD2-CZ 3.98Å; F156-F403 AromaticContact CE1-CE2 3.99Å; F156-F403 HydrophobicContact CE1-CE2 3.99Å; F156-F403 HydrophobicContact CE1-CZ 4.11Å; F156-F403 AromaticContact CE2-CE2 3.64Å; F156-F403 HydrophobicContact CE2-CE2 3.64Å; F156-F403 AromaticContact CE2-CZ 3.65Å; F156-F403 HydrophobicContact CE2-CZ 3.65Å; F156-F403 HydrophobicContact CG-CZ 4.37Å; F156-F403 AromaticContact CZ-CE2 3.4Å; F156-F403 HydrophobicContact CZ-CE2 3.4Å; F156-F403 AromaticContact CZ-CZ 3.74Å; F156-F403 HydrophobicContact CZ-CZ 3.74Å; C400-F403 VanDerWaalsContact O-CB 3.32Å; C400-F403 WeakPolarHBondContact O-CB 3.17Å; C400-F403 PolarHBondContact O-N 2.92Å; F403-F405 PolarHBondContact O-N 3.17Å | ||
| 404 | T | 90.3 | Very high | 78 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | trans | -65.7 | 127.4 | -175.7 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | D34 W72 T147 | D34-T404 WeakPolarHBondContact OD1-CB 3.45Å; D34-T404 PolarHBondContact OD1-OG1 2.79Å; D34-T404 PolarHBondContact OD2-N 2.97Å; D34-T404 PolarHBondContact OD2-OG1 3.24Å; W72-T404 HydrophobicContact CZ2-CG2 4.46Å; T147-T404 WeakPolarHBondContact O-CA 3.5Å | ||
| 405 | F | 88.1 | Confident | 76.8 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 113.6 | 178.6 | 172.1 | -90.9 | 0 | 0 | 0 | 108.9 | E30 V131 M134 L144 H146 T147 F403 N407 N412 L414 | E30-F405 WeakPolarHBondContact OE2-CA 3.25Å; V131-F405 HydrophobicContact CB-CE2 4.32Å; V131-F405 HydrophobicContact CG1-CD2 4.38Å; V131-F405 HydrophobicContact CG1-CE2 3.7Å; V131-F405 HydrophobicContact CG1-CZ 4.09Å; V131-F405 HydrophobicContact CG2-CD1 4.12Å; V131-F405 HydrophobicContact CG2-CD2 3.63Å; V131-F405 HydrophobicContact CG2-CE1 4.05Å; V131-F405 HydrophobicContact CG2-CE2 3.59Å; V131-F405 HydrophobicContact CG2-CG 3.96Å; V131-F405 HydrophobicContact CG2-CZ 3.82Å; M134-F405 HydrophobicContact CE-CZ 4.2Å; L144-F405 HydrophobicContact CD2-CD1 4.16Å; L144-F405 HydrophobicContact CD2-CE1 4.42Å; H146-F405 CarbonylContact C-O 3.59Å; H146-F405 WeakPolarHBondContact CA-O 3.44Å; T147-F405 PolarHBondContact N-O 3.29Å; T147-F405 PolarHBondContact O-N 3.15Å; T147-F405 WeakPolarHBondContact OG1-CB 3.42Å; T147-F405 PolarHBondContact OG1-N 3.49Å; F403-F405 PolarHBondContact O-N 3.17Å; F405-N407 HydrophobicContact CE1-CB 3.89Å; F405-N407 HydrophobicContact CZ-CB 4.4Å; F405-N412 WeakPolarHBondContact CD2-ND2 3.4Å; F405-N412 WeakPolarHBondContact CE2-ND2 3.45Å; F405-L414 HydrophobicContact CE2-CB 4.29Å |
| 406 | T | 87.6 | Confident | 75 | Confident | 38 Ų | 38 | 33.4 Ų | 33.4 | 23% | 0.233 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 111.3 | 171.3 | -47.8 | 0 | 0 | 0 | 0 | 109.8 | E30 S409 N412 | E30-T406 WeakPolarHBondContact OE1-CB 3.14Å; E30-T406 PolarHBondContact OE1-N 3.24Å; E30-T406 PolarHBondContact OE1-OG1 3.03Å; E30-T406 PolarHBondContact OE2-N 3.26Å; T406-S409 WeakPolarHBondContact O-CB 3.23Å; T406-S409 PolarHBondContact O-N 2.8Å; T406-N412 PolarHBondContact O-ND2 2.86Å; T406-N412 VanDerWaalsContact O-ND2 3.11Å |
| 407 | N | 82.5 | Confident | 73 | Confident | 32 Ų | 32 | 39 Ų | 39 | 17% | 0.171 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 141.3 | 173.9 | -174 | 16 | 0 | 0 | 0 | 111.7 | M134 H145 H146 F405 S409 | M134-N407 WeakPolarHBondContact CE-OD1 3.36Å; M134-N407 HydrophobicContact SD-CB 4.35Å; M134-N407 VanDerWaalsContact SD-CG 3.52Å; M134-N407 PolarHBondContact SD-ND2 3.35Å; M134-N407 VanDerWaalsContact SD-ND2 3.37Å; H145-N407 WeakPolarHBondContact O-CB 3.45Å; H146-N407 PolarHBondContact ND1-N 3.38Å; F405-N407 HydrophobicContact CE1-CB 3.89Å; F405-N407 HydrophobicContact CZ-CB 4.4Å; N407-S409 PolarHBondContact O-N 3.28Å; N407-S409 VanDerWaalsContact O-N 3.12Å |
| 408 | N | 76.1 | Confident | 70.9 | Confident | 125 Ų | 125 | 41.7 Ų | 41.7 | 67% | 0.668 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 15.5 | -175.5 | -58.1 | -46 | 0 | 0 | 0 | 115.4 | ||
| 409 | S | 77.6 | Confident | 68.7 | Low | 20 Ų | 20 | 42.2 Ų | 42.2 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | trans | -78.8 | 135.8 | 175.5 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | T406 N407 L411 N412 | T406-S409 WeakPolarHBondContact O-CB 3.23Å; T406-S409 PolarHBondContact O-N 2.8Å; N407-S409 PolarHBondContact O-N 3.28Å; N407-S409 VanDerWaalsContact O-N 3.12Å; S409-L411 PolarHBondContact O-N 2.97Å; S409-L411 WeakPolarHBondContact OG-CB 3.5Å; S409-L411 PolarHBondContact OG-N 3.01Å; S409-N412 CarbonylContact O-C 3.57Å; S409-N412 PolarHBondContact O-N 2.92Å; S409-N412 VanDerWaalsContact O-O 3.07Å | ||
| 410 | P | 67 | Low | 66.1 | Low | 118 Ų | 118 | 48.5 Ų | 48.5 | 77% | 0.766 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.4 | 171.9 | 30 | -35.4 | 0 | 0 | 0 | 112.7 | N412 | P410-N412 PolarHBondContact O-N 2.85Š|
| 411 | L | 69.3 | Low | 63.3 | Low | 71 Ų | 71 | 56.9 Ų | 56.9 | 37% | 0.372 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -14.7 | 174.4 | -55.3 | 176.7 | 0 | 0 | 0 | 112.3 | V29 E30 L33 S409 | V29-L411 HydrophobicContact CB-CB 4.28Å; V29-L411 HydrophobicContact CB-CD2 4.31Å; V29-L411 HydrophobicContact CG1-CD2 3.96Å; V29-L411 PolarHBondContact N-O 3.47Å; E30-L411 HydrophobicContact CG-CB 3.79Å; L33-L411 HydrophobicContact CD1-CD1 4.34Å; S409-L411 PolarHBondContact O-N 2.97Å; S409-L411 WeakPolarHBondContact OG-CB 3.5Å; S409-L411 PolarHBondContact OG-N 3.01Å |
| 412 | N | 67 | Low | 60.5 | Low | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | trans | -124.3 | 83.3 | -171.8 | -164.3 | 14.2 | 0 | 0 | 0 | 108.1 | E30 F405 T406 S409 P410 L414 G415 | E30-N412 HydrophobicContact CG-CB 4.39Å; E30-N412 WeakPolarHBondContact OE2-CB 3.41Å; E30-N412 VanDerWaalsContact OE2-CG 3.22Å; E30-N412 PolarHBondContact OE2-ND2 3.17Å; F405-N412 WeakPolarHBondContact CD2-ND2 3.4Å; F405-N412 WeakPolarHBondContact CE2-ND2 3.45Å; T406-N412 PolarHBondContact O-ND2 2.86Å; T406-N412 VanDerWaalsContact O-ND2 3.11Å; S409-N412 CarbonylContact O-C 3.57Å; S409-N412 PolarHBondContact O-N 2.92Å; S409-N412 VanDerWaalsContact O-O 3.07Å; P410-N412 PolarHBondContact O-N 2.85Å; N412-L414 PolarHBondContact O-N 3.41Å; N412-G415 PolarHBondContact O-N 3.36Å | ||
| 413 | E | 53.3 | Low | 57.7 | Low | 53 Ų | 53 | 65.4 Ų | 65.4 | 25% | 0.248 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 5.9 | -176 | -66.1 | -173.1 | 155.9 | 0 | 0 | 113.9 | T16 K17 G415 | T16-E413 VanDerWaalsContact CA-OE1 3.3Å; T16-E413 WeakPolarHBondContact CA-OE1 3.5Å; T16-E413 WeakPolarHBondContact CA-OE2 3.47Å; K17-E413 VanDerWaalsContact CA-OE2 3.27Å; K17-E413 WeakPolarHBondContact CA-OE2 3.3Å; K17-E413 VanDerWaalsContact CG-OE1 3.28Å; K17-E413 WeakPolarHBondContact CG-OE1 3.46Å; K17-E413 VanDerWaalsContact N-CD 3.27Å; K17-E413 PolarHBondContact N-OE1 3.42Å; K17-E413 PolarHBondContact N-OE2 3.1Å; E413-G415 PolarHBondContact O-N 3.2Å; E413-G415 VanDerWaalsContact O-N 3.15Å |
| 414 | L | 53.4 | Low | 54.8 | Low | 19 Ų | 19 | 75.6 Ų | 75.6 | 10% | 0.099 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 8.2 | 167.5 | -66.2 | 171.7 | 0 | 0 | 0 | 114 | N25 F405 N412 | N25-L414 HydrophobicContact CB-CD2 3.98Å; F405-L414 HydrophobicContact CE2-CB 4.29Å; N412-L414 PolarHBondContact O-N 3.41Å |
| 415 | G | 42.9 | Very low | 51.8 | Low | 11 Ų | 11 | 82.5 Ų | 82.5 | 11% | 0.113 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -64.6 | 167.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N412 E413 T417 H418 | N412-G415 PolarHBondContact O-N 3.36Å; E413-G415 PolarHBondContact O-N 3.2Å; E413-G415 VanDerWaalsContact O-N 3.15Å; G415-T417 PolarHBondContact O-N 3.1Å; G415-H418 PolarHBondContact O-N 3.32Å |
| 416 | P | 37 | Very low | 48.7 | Very low | 69 Ų | 69 | 92.1 Ų | 92.1 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -19.4 | -175.1 | -25.1 | 32 | 0 | 0 | 0 | 115.6 | H418 | P416-H418 VanDerWaalsContact C-N 3.28Å; P416-H418 PolarHBondContact O-N 3.28Å |
| 417 | T | 34.4 | Very low | 45.7 | Very low | 126 Ų | 126 | 98 Ų | 98 | 77% | 0.773 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.8 | 177.6 | 40.3 | 0 | 0 | 0 | 0 | 114.1 | G415 | G415-T417 PolarHBondContact O-N 3.1Š|
| 418 | H | 42 | Very low | 42.8 | Very low | 56 Ų | 56 | 105.2 Ų | 105.2 | 26% | 0.259 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -33.3 | -171.7 | -144 | -75.1 | 0 | 0 | 0 | 114.3 | G415 P416 R420 | G415-H418 PolarHBondContact O-N 3.32Å; P416-H418 VanDerWaalsContact C-N 3.28Å; P416-H418 PolarHBondContact O-N 3.28Å; H418-R420 PolarHBondContact O-N 3.13Å |
| 419 | Y | 39.4 | Very low | 40.3 | Very low | 66 Ų | 66 | 103.7 Ų | 103.7 | 26% | 0.259 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -78 | -0.4 | -179.8 | -85.3 | -99.3 | 0 | 0 | 0 | 114.3 | N25 V135 M421 T422 | N25-Y419 PolarHBondContact ND2-OH 3.28Å; V135-Y419 HydrophobicContact CB-CD2 3.92Å; V135-Y419 HydrophobicContact CB-CE2 4.21Å; V135-Y419 HydrophobicContact CB-CG 4.14Å; V135-Y419 HydrophobicContact CG1-CD1 4.04Å; V135-Y419 HydrophobicContact CG1-CD2 3.22Å; V135-Y419 HydrophobicContact CG1-CE2 3.99Å; V135-Y419 HydrophobicContact CG1-CG 3.2Å; V135-Y419 HydrophobicContact CG2-CD2 4.07Å; V135-Y419 HydrophobicContact CG2-CE2 4.16Å; Y419-M421 PolarHBondContact O-N 3.02Å; Y419-T422 PolarHBondContact O-N 3.02Å |
| 420 | R | 28.9 | Very low | 37.7 | Very low | 181 Ų | 181 | 108.7 Ų | 108.7 | 68% | 0.683 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -67.2 | -3.4 | 172.8 | -143.8 | 178.4 | -165.8 | -179 | 1.8 | 113.5 | H418 | H418-R420 PolarHBondContact O-N 3.13Š|
| 421 | M | 28.4 | Very low | 35.4 | Very low | 178 Ų | 178 | 111.5 Ų | 111.5 | 88% | 0.877 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -94.5 | -3.1 | 179.8 | -82.8 | -165.7 | 162.4 | 0 | 0 | 116.1 | Y419 | Y419-M421 PolarHBondContact O-N 3.02Š|
| 422 | T | 29.5 | Very low | 33.3 | Very low | 110 Ų | 110 | 117.1 Ų | 117.1 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -119.8 | 55.4 | 173.2 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | Y419 | Y419-T422 PolarHBondContact O-N 3.02Š|
| 423 | S | 28.5 | Very low | 31.1 | Very low | 91 Ų | 91 | 124.3 Ų | 124.3 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | trans | -147 | 112.7 | 156.2 | -63.3 | 0 | 0 | 0 | 0 | 106.4 | D425 | S423-D425 PolarHBondContact O-N 3.25Š| ||
| 424 | K | 27.5 | Very low | 29.8 | Very low | 215 Ų | 215 | 127.1 Ų | 127.1 | 94% | 0.935 | 66% | 0.66 | S | S | * | * | trans | -70 | 65.8 | 169.5 | -81.2 | -179.9 | 174 | 169.7 | 0 | 108.6 | ||||
| 425 | D | 27.4 | Very low | 28.2 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | trans | -129.9 | 117.5 | 168.4 | -82 | -44.2 | 0 | 0 | 0 | 110.3 | S423 L427 | S423-D425 PolarHBondContact O-N 3.25Å; D425-L427 PolarHBondContact O-N 3.24Å | ||
| 426 | K | 23.1 | Very low | 27.3 | Very low | 204 Ų | 204 | 140.9 Ų | 140.9 | 89% | 0.887 | 73% | 0.73 | S | S | * | * | trans | -64.4 | 111 | 178.4 | -65.2 | 171.5 | 176.6 | 176.3 | 0 | 108.6 | ||||
| 427 | L | 25.4 | Very low | 26.6 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -152.4 | 134.2 | 153.6 | -145.4 | 66.9 | 0 | 0 | 0 | 111.8 | D425 | D425-L427 PolarHBondContact O-N 3.24Š| ||
| 428 | E | 21 | Very low | 26.1 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 135.1 | -169.2 | -66.4 | 165.3 | 153.5 | 0 | 0 | 113.2 | ||
| 429 | C | 22.2 | Very low | 25.2 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 64% | 0.635 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 128.5 | 172.1 | -77.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 430 | P | 23.3 | Very low | 24.5 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 138.5 | 171 | -13.5 | 29.2 | 0 | 0 | 0 | 112.6 | ||
| 431 | E | 20.2 | Very low | 24.2 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 137.3 | 167.9 | -63.3 | 175.4 | 142.4 | 0 | 0 | 111.6 | ||
| 432 | E | 24.4 | Very low | 24 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -169.5 | 94.4 | 150.1 | -107 | 174.3 | -160.3 | 0 | 0 | 106.4 | ||||
| 433 | I | 21 | Very low | 23.7 | Very low | 155 Ų | 155 | 148 Ų | 148 | 80% | 0.795 | 80% | 0.802 | S | S | * | * | 50.2 | 95.7 | 85.5 | -51.4 | 174.7 | 0 | 0 | 0 | 113.1 | |||||
| 434 | S | 25.9 | Very low | 23.8 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | -174.6 | 106.5 | 121.3 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 435 | K | 19.1 | Very low | 23.7 | Very low | 189 Ų | 189 | 145 Ų | 145 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -69.1 | 150.1 | 158.9 | -64.2 | 173.2 | 175.5 | 177.7 | 0 | 109.5 | ||||
| 436 | P | 25 | Very low | 23.5 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -112.4 | 129 | 139.8 | 18.5 | -1.4 | 0 | 0 | 0 | 110.2 | ||||
| 437 | E | 21.1 | Very low | 23.4 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -81.4 | 162.9 | 173.6 | -63.3 | 172.6 | 149.5 | 0 | 0 | 111.4 | ||||
| 438 | G | 24.7 | Very low | 23.5 | Very low | 65 Ų | 65 | 140.1 Ų | 140.1 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | 120.5 | 79.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 439 | S | 22.4 | Very low | 23.6 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | 37.2 | 102.5 | 74.3 | 75.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 440 | D | 25.7 | Very low | 23.8 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | -158.7 | 121.3 | 125.4 | -92.7 | -26 | 0 | 0 | 0 | 110.9 | |||||
| 441 | D | 22.3 | Very low | 23.7 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -56.1 | 124.9 | 165.1 | -93.1 | -48.6 | 0 | 0 | 0 | 111.3 | ||||
| 442 | I | 23.8 | Very low | 23.9 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -137.9 | 101.3 | 144.3 | -58.7 | -176.7 | 0 | 0 | 0 | 108.6 | ||||
| 443 | S | 24 | Very low | 24.1 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 162 | 165 | -71.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 444 | P | 30.5 | Very low | 24.3 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 156.3 | -146.7 | 37.2 | -33.6 | 0 | 0 | 0 | 113.7 | ||
| 445 | P | 24.8 | Very low | 24.2 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 123.9 | 167.3 | 30 | -21.9 | 0 | 0 | 0 | 110.9 | ||
| 446 | S | 23.9 | Very low | 24.5 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 147.7 | 163.5 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 447 | D | 21.7 | Very low | 24.4 | Very low | 159 Ų | 159 | 129.7 Ų | 129.7 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | 45 | 104.3 | 142.4 | -59 | -26.2 | 0 | 0 | 0 | 118.5 | ||||
| 448 | D | 26 | Very low | 24.4 | Very low | 154 Ų | 154 | 125.3 Ų | 125.3 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | -141.5 | 130.7 | 129.5 | -151.4 | -5.5 | 0 | 0 | 0 | 112.4 | |||||
| 449 | S | 23.5 | Very low | 24.4 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -62.6 | 121 | 175.3 | 43.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 450 | G | 25.9 | Very low | 24.7 | Very low | 76 Ų | 76 | 136.2 Ų | 136.2 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -123.9 | 78.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | L452 | G450-L452 PolarHBondContact O-N 3.29Š| ||
| 451 | I | 22 | Very low | 24.8 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -64.1 | 113.7 | 166.4 | -65.7 | 168.5 | 0 | 0 | 0 | 108.1 | ||||
| 452 | L | 25.4 | Very low | 25 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -137 | 117.7 | 156.2 | -78.7 | 177.4 | 0 | 0 | 0 | 110.1 | G450 | G450-L452 PolarHBondContact O-N 3.29Š| ||
| 453 | D | 26.9 | Very low | 25.4 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -69.3 | 144 | -170.9 | -139.7 | -2.3 | 0 | 0 | 0 | 112.5 | S455 | D453-S455 PolarHBondContact O-N 3.39Š| ||
| 454 | P | 25.5 | Very low | 26.1 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -92.5 | 99.2 | -177.2 | 33.1 | -22.7 | 0 | 0 | 0 | 110.5 | ||||
| 455 | S | 24.2 | Very low | 26.4 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | -151.9 | 85.2 | 161.5 | 55.5 | 0 | 0 | 0 | 0 | 111 | D453 | D453-S455 PolarHBondContact O-N 3.39Š| ||
| 456 | N | 25.7 | Very low | 27.1 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -165.6 | 68 | 148 | -97.9 | -28.1 | 0 | 0 | 0 | 110.8 | S458 | N456-S458 PolarHBondContact O-N 3.04Š| ||
| 457 | A | 22.7 | Very low | 28.2 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -77.1 | 94 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 458 | S | 22.1 | Very low | 29.8 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | -161.4 | 138.5 | 147.6 | 72.2 | 0 | 0 | 0 | 0 | 111.1 | N456 | N456-S458 PolarHBondContact O-N 3.04Š| ||
| 459 | K | 24 | Very low | 31.6 | Very low | 186 Ų | 186 | 128.8 Ų | 128.8 | 81% | 0.809 | 76% | 0.76 | S | S | * | * | trans | 85.8 | 80.5 | 168.8 | -54.3 | 178.1 | -178.3 | 177.7 | 0 | 116.9 | ||||
| 460 | F | 27.7 | Very low | 33.9 | Very low | 218 Ų | 218 | 127.8 Ų | 127.8 | 96% | 0.956 | 75% | 0.746 | S | S | * | * | trans | -135.1 | 115.9 | 130.2 | -105.1 | -84.7 | 0 | 0 | 0 | 108.4 | ||||
| 461 | S | 28.8 | Very low | 36.1 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | -75.5 | 128.2 | -170.8 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 462 | S | 26.8 | Very low | 38.5 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | trans | -57.8 | 138.4 | 152.1 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 463 | G | 31.1 | Very low | 41 | Very low | 69 Ų | 69 | 124.1 Ų | 124.1 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | trans | 145.3 | 76.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 464 | T | 39.2 | Very low | 43.5 | Very low | 131 Ų | 131 | 124 Ų | 124 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -164 | -5.9 | 149.3 | -2.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 465 | R | 36.7 | Very low | 46 | Very low | 232 Ų | 232 | 120.5 Ų | 120.5 | 88% | 0.875 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -96.2 | -11.2 | -178.9 | -84.5 | -174.2 | 171.1 | 179.2 | -2.3 | 116.2 | ||
| 466 | E | 40.4 | Very low | 48.5 | Very low | 153 Ų | 153 | 120.4 Ų | 120.4 | 72% | 0.715 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.9 | -37.5 | -179.3 | -150.3 | 167.6 | -169.4 | 0 | 0 | 114.2 | A468 L469 I470 | E466-A468 PolarHBondContact O-N 3.32Å; E466-L469 PolarHBondContact O-N 3.02Å; E466-I470 HydrophobicContact CG-CD1 4.18Å; E466-I470 VanDerWaalsContact O-CG1 3.3Å; E466-I470 WeakPolarHBondContact O-CG1 3.45Å; E466-I470 PolarHBondContact O-N 3.15Å; E466-I470 VanDerWaalsContact O-N 3.12Å |
| 467 | P | 47 | Very low | 51.1 | Low | 86 Ų | 86 | 119.2 Ų | 119.2 | 56% | 0.558 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.2 | -40.8 | 178.8 | -19.5 | 31 | 0 | 0 | 0 | 113 | L469 I470 E471 | P467-L469 VanDerWaalsContact C-N 3.35Å; P467-L469 PolarHBondContact O-N 3.32Å; P467-I470 PolarHBondContact O-N 2.78Å; P467-E471 WeakPolarHBondContact O-CB 3.44Å; P467-E471 PolarHBondContact O-N 3.27Å |
| 468 | A | 55 | Low | 54 | Low | 64 Ų | 64 | 117.9 Ų | 117.9 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.1 | -36 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E466 L472 | E466-A468 PolarHBondContact O-N 3.32Å; A468-L472 WeakPolarHBondContact O-CB 3.42Å; A468-L472 PolarHBondContact O-N 3.23Å |
| 469 | L | 62.4 | Low | 56.6 | Low | 104 Ų | 104 | 119.6 Ų | 119.6 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.9 | -42 | 175.7 | -166.3 | 74.7 | 0 | 0 | 0 | 111 | E466 P467 E471 L472 I473 | E466-L469 PolarHBondContact O-N 3.02Å; P467-L469 VanDerWaalsContact C-N 3.35Å; P467-L469 PolarHBondContact O-N 3.32Å; L469-E471 VanDerWaalsContact C-N 3.31Å; L469-E471 PolarHBondContact O-N 2.78Å; L469-L472 PolarHBondContact O-N 3.42Å; L469-I473 HydrophobicContact CD2-CD1 4.5Å; L469-I473 HydrophobicContact CG-CD1 4.09Å; L469-I473 WeakPolarHBondContact O-CB 3.29Å; L469-I473 VanDerWaalsContact O-CG1 3.22Å; L469-I473 WeakPolarHBondContact O-CG1 3.3Å; L469-I473 PolarHBondContact O-N 3.29Å |
| 470 | I | 71.7 | Confident | 59.3 | Low | 83 Ų | 83 | 114 Ų | 114 | 43% | 0.426 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.7 | -39 | 175.7 | -67.4 | 168.3 | 0 | 0 | 0 | 110.7 | E466 P467 I473 K474 | E466-I470 HydrophobicContact CG-CD1 4.18Å; E466-I470 VanDerWaalsContact O-CG1 3.3Å; E466-I470 WeakPolarHBondContact O-CG1 3.45Å; E466-I470 PolarHBondContact O-N 3.15Å; E466-I470 VanDerWaalsContact O-N 3.12Å; P467-I470 PolarHBondContact O-N 2.78Å; I470-I473 PolarHBondContact O-N 3.14Å; I470-K474 HydrophobicContact CG2-CD 4.38Å; I470-K474 WeakPolarHBondContact O-CB 3.49Å; I470-K474 WeakPolarHBondContact O-CG 3.4Å; I470-K474 PolarHBondContact O-N 3.47Å |
| 471 | E | 72.3 | Confident | 62 | Low | 144 Ų | 144 | 109.3 Ų | 109.3 | 67% | 0.673 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.7 | -40.9 | 177.6 | -151.3 | -176.2 | -156.1 | 0 | 0 | 111.9 | P467 L469 K474 A475 | P467-E471 WeakPolarHBondContact O-CB 3.44Å; P467-E471 PolarHBondContact O-N 3.27Å; L469-E471 VanDerWaalsContact C-N 3.31Å; L469-E471 PolarHBondContact O-N 2.78Å; E471-K474 PolarHBondContact O-N 3.29Å; E471-A475 WeakPolarHBondContact O-CB 3.42Å; E471-A475 PolarHBondContact O-N 3.23Å |
| 472 | L | 72.2 | Confident | 64.5 | Low | 99 Ų | 99 | 107.6 Ų | 107.6 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.6 | -42.4 | 174 | -176 | 66.1 | 0 | 0 | 0 | 111.9 | A468 L469 K474 A475 L476 | A468-L472 WeakPolarHBondContact O-CB 3.42Å; A468-L472 PolarHBondContact O-N 3.23Å; L469-L472 PolarHBondContact O-N 3.42Å; L472-K474 VanDerWaalsContact C-N 3.34Å; L472-A475 PolarHBondContact O-N 3.1Å; L472-L476 HydrophobicContact CG-CD1 4.17Å; L472-L476 WeakPolarHBondContact O-CB 3.43Å; L472-L476 WeakPolarHBondContact O-CG 3.28Å; L472-L476 PolarHBondContact O-N 3.33Å |
| 473 | I | 78.1 | Confident | 67.1 | Low | 87 Ų | 87 | 108.4 Ų | 108.4 | 45% | 0.446 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.7 | -41.1 | 176.2 | -70.3 | 166.8 | 0 | 0 | 0 | 110.5 | L469 I470 L476 K477 | L469-I473 HydrophobicContact CD2-CD1 4.5Å; L469-I473 HydrophobicContact CG-CD1 4.09Å; L469-I473 WeakPolarHBondContact O-CB 3.29Å; L469-I473 VanDerWaalsContact O-CG1 3.22Å; L469-I473 WeakPolarHBondContact O-CG1 3.3Å; L469-I473 PolarHBondContact O-N 3.29Å; I470-I473 PolarHBondContact O-N 3.14Å; I473-L476 PolarHBondContact O-N 3.03Å; I473-K477 PolarHBondContact O-N 2.98Å |
| 474 | K | 79.7 | Confident | 69.6 | Low | 138 Ų | 138 | 111.1 Ų | 111.1 | 60% | 0.6 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.6 | -42.4 | 174.1 | -78.2 | 179.4 | 178.9 | -179.1 | 0 | 111.9 | I470 E471 L472 K477 T478 | I470-K474 HydrophobicContact CG2-CD 4.38Å; I470-K474 WeakPolarHBondContact O-CB 3.49Å; I470-K474 WeakPolarHBondContact O-CG 3.4Å; I470-K474 PolarHBondContact O-N 3.47Å; E471-K474 PolarHBondContact O-N 3.29Å; L472-K474 VanDerWaalsContact C-N 3.34Å; K474-K477 PolarHBondContact O-N 2.98Å; K474-T478 PolarHBondContact O-N 3.12Å; K474-T478 PolarHBondContact O-OG1 3.47Å; K474-T478 VanDerWaalsContact O-OG1 3.08Å |
| 475 | A | 78.3 | Confident | 71.8 | Confident | 46 Ų | 46 | 110.6 Ų | 110.6 | 38% | 0.38 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.7 | -34.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | E471 L472 T478 K479 | E471-A475 WeakPolarHBondContact O-CB 3.42Å; E471-A475 PolarHBondContact O-N 3.23Å; L472-A475 PolarHBondContact O-N 3.1Å; A475-T478 WeakPolarHBondContact CA-OG1 3.37Å; A475-T478 PolarHBondContact O-OG1 3.33Å; A475-K479 WeakPolarHBondContact O-CG 3.41Å; A475-K479 PolarHBondContact O-N 3.2Å; A475-K479 VanDerWaalsContact O-N 3.16Å |
| 476 | L | 76.7 | Confident | 74 | Confident | 94 Ų | 94 | 103.6 Ų | 103.6 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.8 | -42.2 | 174 | -78 | 167 | 0 | 0 | 0 | 111.3 | L472 I473 K479 C480 | L472-L476 HydrophobicContact CG-CD1 4.17Å; L472-L476 WeakPolarHBondContact O-CB 3.43Å; L472-L476 WeakPolarHBondContact O-CG 3.28Å; L472-L476 PolarHBondContact O-N 3.33Å; I473-L476 PolarHBondContact O-N 3.03Å; L476-K479 PolarHBondContact O-N 3.4Å; L476-C480 PolarHBondContact O-N 3.04Å; L476-C480 PolarHBondContact O-SG 3.46Å; L476-C480 VanDerWaalsContact O-SG 3.35Å |
| 477 | K | 80.8 | Confident | 75.9 | Confident | 134 Ų | 134 | 100.5 Ų | 100.5 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.7 | -47 | 174.5 | -86.3 | -172.4 | 172.5 | -173.3 | 0 | 112.2 | I473 K474 K479 C480 E481 | I473-K477 PolarHBondContact O-N 2.98Å; K474-K477 PolarHBondContact O-N 2.98Å; K477-K479 VanDerWaalsContact C-N 3.29Å; K477-K479 PolarHBondContact O-N 3.49Å; K477-C480 PolarHBondContact O-N 3.17Å; K477-E481 WeakPolarHBondContact O-CG 3.47Å; K477-E481 PolarHBondContact O-N 3.18Å |
| 478 | T | 83.2 | Confident | 77.7 | Confident | 82 Ų | 82 | 99.8 Ų | 99.8 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -31.9 | 178 | 48.5 | 0 | 0 | 0 | 0 | 112.7 | K474 A475 N482 | K474-T478 PolarHBondContact O-N 3.12Å; K474-T478 PolarHBondContact O-OG1 3.47Å; K474-T478 VanDerWaalsContact O-OG1 3.08Å; A475-T478 WeakPolarHBondContact CA-OG1 3.37Å; A475-T478 PolarHBondContact O-OG1 3.33Å; T478-N482 WeakPolarHBondContact O-CB 3.29Å; T478-N482 PolarHBondContact O-N 2.86Å; T478-N482 VanDerWaalsContact O-N 3.08Å |
| 479 | K | 77.7 | Confident | 78.9 | Confident | 125 Ų | 125 | 102.6 Ų | 102.6 | 54% | 0.543 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.6 | -44.8 | 171 | -81.8 | -175.4 | 178.3 | -176.7 | 0 | 112.4 | A475 L476 K477 N482 Y483 | A475-K479 WeakPolarHBondContact O-CG 3.41Å; A475-K479 PolarHBondContact O-N 3.2Å; A475-K479 VanDerWaalsContact O-N 3.16Å; L476-K479 PolarHBondContact O-N 3.4Å; K477-K479 VanDerWaalsContact C-N 3.29Å; K477-K479 PolarHBondContact O-N 3.49Å; K479-N482 PolarHBondContact O-N 3.18Å; K479-Y483 HydrophobicContact CB-CE2 4.27Å; K479-Y483 WeakPolarHBondContact O-CD2 3.46Å; K479-Y483 PolarHBondContact O-N 2.77Å |
| 480 | C | 79.1 | Confident | 79.7 | Confident | 70 Ų | 70 | 103 Ų | 103 | 47% | 0.473 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 176.7 | -69 | 0 | 0 | 0 | 0 | 111.4 | L476 K477 N482 Y483 E484 | L476-C480 PolarHBondContact O-N 3.04Å; L476-C480 PolarHBondContact O-SG 3.46Å; L476-C480 VanDerWaalsContact O-SG 3.35Å; K477-C480 PolarHBondContact O-N 3.17Å; C480-N482 VanDerWaalsContact C-N 3.29Å; C480-N482 PolarHBondContact O-N 3.36Å; C480-Y483 PolarHBondContact O-N 2.93Å; C480-E484 WeakPolarHBondContact O-CG 3.37Å; C480-E484 PolarHBondContact O-N 3.15Å |
| 481 | E | 84.6 | Confident | 80.2 | Confident | 118 Ų | 118 | 105.3 Ų | 105.3 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.2 | -37.8 | 175.7 | -72 | 167.2 | -175.9 | 0 | 0 | 111.9 | K477 E484 M485 | K477-E481 WeakPolarHBondContact O-CG 3.47Å; K477-E481 PolarHBondContact O-N 3.18Å; E481-E484 PolarHBondContact O-N 2.74Å; E481-M485 WeakPolarHBondContact O-CB 3.42Å; E481-M485 PolarHBondContact O-N 3.24Å |
| 482 | N | 81.9 | Confident | 80.5 | Confident | 78 Ų | 78 | 103 Ų | 103 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.3 | -38.7 | 176.7 | -162.5 | -12.8 | 0 | 0 | 0 | 112.3 | T478 K479 C480 M485 Q486 | T478-N482 WeakPolarHBondContact O-CB 3.29Å; T478-N482 PolarHBondContact O-N 2.86Å; T478-N482 VanDerWaalsContact O-N 3.08Å; K479-N482 PolarHBondContact O-N 3.18Å; C480-N482 VanDerWaalsContact C-N 3.29Å; C480-N482 PolarHBondContact O-N 3.36Å; N482-M485 PolarHBondContact O-N 3.14Å; N482-Q486 WeakPolarHBondContact O-CG 3.41Å; N482-Q486 PolarHBondContact O-N 3.32Å; N482-Q486 PolarHBondContact O-NE2 3.42Å; N482-Q486 PolarHBondContact OD1-NE2 3.18Å; N482-Q486 VanDerWaalsContact OD1-NE2 3.12Å |
| 483 | Y | 81.5 | Confident | 80.6 | Confident | 139 Ų | 139 | 101.8 Ų | 101.8 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 173.3 | -68.7 | -49.9 | 0 | 0 | 0 | 112.2 | K479 C480 M485 Q486 I487 | K479-Y483 HydrophobicContact CB-CE2 4.27Å; K479-Y483 WeakPolarHBondContact O-CD2 3.46Å; K479-Y483 PolarHBondContact O-N 2.77Å; C480-Y483 PolarHBondContact O-N 2.93Å; Y483-M485 VanDerWaalsContact C-N 3.34Å; Y483-Q486 PolarHBondContact O-N 3.09Å; Y483-I487 WeakPolarHBondContact O-CB 3.34Å; Y483-I487 VanDerWaalsContact O-CG1 3.25Å; Y483-I487 WeakPolarHBondContact O-CG1 3.44Å; Y483-I487 PolarHBondContact O-N 3.06Å |
| 484 | E | 84.4 | Confident | 80.3 | Confident | 127 Ų | 127 | 103.1 Ų | 103.1 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.7 | -43.9 | 173 | -76.8 | 179.1 | 174.7 | 0 | 0 | 111 | C480 E481 Q486 I487 T488 | C480-E484 WeakPolarHBondContact O-CG 3.37Å; C480-E484 PolarHBondContact O-N 3.15Å; E481-E484 PolarHBondContact O-N 2.74Å; E484-Q486 PolarHBondContact O-N 2.75Å; E484-I487 PolarHBondContact O-N 3.22Å; E484-T488 WeakPolarHBondContact O-CB 3.4Å; E484-T488 PolarHBondContact O-N 2.88Å; E484-T488 PolarHBondContact O-OG1 3.4Å |
| 485 | M | 84.5 | Confident | 80.1 | Confident | 120 Ų | 120 | 98.9 Ų | 98.9 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.4 | -43.3 | 175.2 | -169.4 | 175.3 | 68 | 0 | 0 | 111.9 | E481 N482 Y483 T488 E489 | E481-M485 WeakPolarHBondContact O-CB 3.42Å; E481-M485 PolarHBondContact O-N 3.24Å; N482-M485 PolarHBondContact O-N 3.14Å; Y483-M485 VanDerWaalsContact C-N 3.34Å; M485-T488 PolarHBondContact O-N 2.54Å; M485-E489 WeakPolarHBondContact O-CB 3.39Å; M485-E489 PolarHBondContact O-N 2.81Å |
| 486 | Q | 82.2 | Confident | 79.5 | Confident | 84 Ų | 84 | 100 Ų | 100 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 175.5 | -76.7 | 170.5 | 52.3 | 0 | 0 | 112.8 | N482 Y483 E484 T488 E489 L490 | N482-Q486 WeakPolarHBondContact O-CG 3.41Å; N482-Q486 PolarHBondContact O-N 3.32Å; N482-Q486 PolarHBondContact O-NE2 3.42Å; N482-Q486 PolarHBondContact OD1-NE2 3.18Å; N482-Q486 VanDerWaalsContact OD1-NE2 3.12Å; Y483-Q486 PolarHBondContact O-N 3.09Å; E484-Q486 PolarHBondContact O-N 2.75Å; Q486-T488 VanDerWaalsContact C-N 3.28Å; Q486-T488 PolarHBondContact O-N 2.93Å; Q486-E489 PolarHBondContact O-N 3.09Å; Q486-L490 WeakPolarHBondContact O-CB 3.44Å; Q486-L490 VanDerWaalsContact O-CG 3.31Å; Q486-L490 WeakPolarHBondContact O-CG 3.43Å; Q486-L490 PolarHBondContact O-N 2.92Å |
| 487 | I | 81.6 | Confident | 78.6 | Confident | 89 Ų | 89 | 103.6 Ų | 103.6 | 46% | 0.456 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 175.2 | -71.1 | 166.5 | 0 | 0 | 0 | 110 | Y483 E484 K491 | Y483-I487 WeakPolarHBondContact O-CB 3.34Å; Y483-I487 VanDerWaalsContact O-CG1 3.25Å; Y483-I487 WeakPolarHBondContact O-CG1 3.44Å; Y483-I487 PolarHBondContact O-N 3.06Å; E484-I487 PolarHBondContact O-N 3.22Å; I487-K491 HydrophobicContact CG2-CD 4.16Å; I487-K491 WeakPolarHBondContact O-CB 3.37Å; I487-K491 VanDerWaalsContact O-CG 3.23Å; I487-K491 WeakPolarHBondContact O-CG 3.48Å; I487-K491 PolarHBondContact O-N 3.18Å |
| 488 | T | 83.9 | Confident | 77.5 | Confident | 70 Ų | 70 | 106.9 Ų | 106.9 | 43% | 0.429 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.1 | -43.3 | 177.6 | -43 | 0 | 0 | 0 | 0 | 110.6 | E484 M485 Q486 L490 K491 D492 | E484-T488 WeakPolarHBondContact O-CB 3.4Å; E484-T488 PolarHBondContact O-N 2.88Å; E484-T488 PolarHBondContact O-OG1 3.4Å; M485-T488 PolarHBondContact O-N 2.54Å; Q486-T488 VanDerWaalsContact C-N 3.28Å; Q486-T488 PolarHBondContact O-N 2.93Å; T488-L490 PolarHBondContact O-N 3.22Å; T488-K491 CarbonylContact O-C 3.53Å; T488-K491 WeakPolarHBondContact O-CB 3.28Å; T488-K491 PolarHBondContact O-N 3.27Å; T488-D492 WeakPolarHBondContact O-CB 3.27Å; T488-D492 VanDerWaalsContact O-CG 3.32Å; T488-D492 PolarHBondContact O-N 2.95Å |
| 489 | E | 81.2 | Confident | 75.9 | Confident | 124 Ų | 124 | 108.9 Ų | 108.9 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.6 | -38.2 | 174.9 | -170.8 | 176.9 | -157.8 | 0 | 0 | 112.1 | M485 Q486 D492 T493 | M485-E489 WeakPolarHBondContact O-CB 3.39Å; M485-E489 PolarHBondContact O-N 2.81Å; Q486-E489 PolarHBondContact O-N 3.09Å; E489-D492 PolarHBondContact O-N 2.86Å; E489-T493 VanDerWaalsContact O-CB 3.22Å; E489-T493 WeakPolarHBondContact O-CB 3.49Å; E489-T493 PolarHBondContact O-N 3.42Å; E489-T493 PolarHBondContact O-OG1 3.07Å |
| 490 | L | 78.5 | Confident | 74.4 | Confident | 111 Ų | 111 | 108 Ų | 108 | 58% | 0.581 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.8 | -38.7 | 172.9 | -78.5 | 168.2 | 0 | 0 | 0 | 111.9 | Q486 T488 T493 L494 | Q486-L490 WeakPolarHBondContact O-CB 3.44Å; Q486-L490 VanDerWaalsContact O-CG 3.31Å; Q486-L490 WeakPolarHBondContact O-CG 3.43Å; Q486-L490 PolarHBondContact O-N 2.92Å; T488-L490 PolarHBondContact O-N 3.22Å; L490-T493 PolarHBondContact O-N 3.13Å; L490-L494 VanDerWaalsContact O-CB 3.31Å; L490-L494 WeakPolarHBondContact O-CB 3.32Å; L490-L494 VanDerWaalsContact O-CG 3.32Å; L490-L494 WeakPolarHBondContact O-CG 3.38Å; L490-L494 PolarHBondContact O-N 3.15Å |
| 491 | K | 81.4 | Confident | 72.6 | Confident | 133 Ų | 133 | 113.4 Ų | 113.4 | 58% | 0.578 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.3 | -43.5 | 173.9 | -78.8 | 173.2 | 179.6 | 179.2 | 0 | 111.3 | I487 T488 L494 S495 | I487-K491 HydrophobicContact CG2-CD 4.16Å; I487-K491 WeakPolarHBondContact O-CB 3.37Å; I487-K491 VanDerWaalsContact O-CG 3.23Å; I487-K491 WeakPolarHBondContact O-CG 3.48Å; I487-K491 PolarHBondContact O-N 3.18Å; T488-K491 CarbonylContact O-C 3.53Å; T488-K491 WeakPolarHBondContact O-CB 3.28Å; T488-K491 PolarHBondContact O-N 3.27Å; K491-L494 CarbonylContact O-C 3.56Å; K491-L494 PolarHBondContact O-N 3.23Å; K491-S495 WeakPolarHBondContact O-CB 3.45Å; K491-S495 PolarHBondContact O-N 3.43Å |
| 492 | D | 79.7 | Confident | 70.2 | Confident | 96 Ų | 96 | 109.3 Ų | 109.3 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.8 | -37.3 | 176.5 | -71.3 | -10.9 | 0 | 0 | 0 | 110.7 | T488 E489 L494 S495 C496 | T488-D492 WeakPolarHBondContact O-CB 3.27Å; T488-D492 VanDerWaalsContact O-CG 3.32Å; T488-D492 PolarHBondContact O-N 2.95Å; E489-D492 PolarHBondContact O-N 2.86Å; D492-L494 VanDerWaalsContact C-N 3.35Å; D492-S495 CarbonylContact O-C 3.54Å; D492-S495 PolarHBondContact O-N 3.16Å; D492-C496 VanDerWaalsContact O-CB 3.22Å; D492-C496 WeakPolarHBondContact O-CB 3.27Å; D492-C496 PolarHBondContact O-N 3.24Å; D492-C496 PolarHBondContact O-SG 3.05Å |
| 493 | T | 74.1 | Confident | 67.7 | Low | 73 Ų | 73 | 112.6 Ų | 112.6 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64 | -42 | 172.6 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | E489 L490 Y497 | E489-T493 VanDerWaalsContact O-CB 3.22Å; E489-T493 WeakPolarHBondContact O-CB 3.49Å; E489-T493 PolarHBondContact O-N 3.42Å; E489-T493 PolarHBondContact O-OG1 3.07Å; L490-T493 PolarHBondContact O-N 3.13Å; T493-Y497 WeakPolarHBondContact O-CB 3.16Å; T493-Y497 PolarHBondContact O-N 3.3Å |
| 494 | L | 71.7 | Confident | 65.1 | Low | 115 Ų | 115 | 115.1 Ų | 115.1 | 60% | 0.602 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.9 | -35.5 | 174.1 | -80.2 | 168 | 0 | 0 | 0 | 112.3 | L490 K491 D492 Y497 R498 | L490-L494 VanDerWaalsContact O-CB 3.31Å; L490-L494 WeakPolarHBondContact O-CB 3.32Å; L490-L494 VanDerWaalsContact O-CG 3.32Å; L490-L494 WeakPolarHBondContact O-CG 3.38Å; L490-L494 PolarHBondContact O-N 3.15Å; K491-L494 CarbonylContact O-C 3.56Å; K491-L494 PolarHBondContact O-N 3.23Å; D492-L494 VanDerWaalsContact C-N 3.35Å; L494-Y497 PolarHBondContact O-N 3.34Å; L494-R498 WeakPolarHBondContact O-CB 3.29Å; L494-R498 WeakPolarHBondContact O-CG 3.49Å; L494-R498 PolarHBondContact O-N 3.31Å |
| 495 | S | 75.4 | Confident | 62.5 | Low | 48 Ų | 48 | 115.5 Ų | 115.5 | 34% | 0.336 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.5 | -48.2 | 174 | -153.8 | 0 | 0 | 0 | 0 | 109.9 | K491 D492 Y497 R498 E499 | K491-S495 WeakPolarHBondContact O-CB 3.45Å; K491-S495 PolarHBondContact O-N 3.43Å; D492-S495 CarbonylContact O-C 3.54Å; D492-S495 PolarHBondContact O-N 3.16Å; S495-Y497 VanDerWaalsContact C-N 3.29Å; S495-Y497 PolarHBondContact O-N 3.39Å; S495-R498 CarbonylContact O-C 3.43Å; S495-R498 WeakPolarHBondContact O-CA 3.29Å; S495-R498 WeakPolarHBondContact O-CB 3.2Å; S495-R498 PolarHBondContact O-N 3.07Å; S495-R498 VanDerWaalsContact O-N 3.07Å; S495-E499 WeakPolarHBondContact O-CB 3.23Å; S495-E499 WeakPolarHBondContact O-CG 3.29Å; S495-E499 PolarHBondContact O-N 3.06Å; S495-E499 PolarHBondContact OG-OE1 3.43Å |
| 496 | C | 66.4 | Low | 59.7 | Low | 71 Ų | 71 | 114.8 Ų | 114.8 | 48% | 0.48 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -59.5 | -36.4 | 171.8 | -75.5 | 0 | 0 | 0 | 0 | 112 | D492 S500 | D492-C496 VanDerWaalsContact O-CB 3.22Å; D492-C496 WeakPolarHBondContact O-CB 3.27Å; D492-C496 PolarHBondContact O-N 3.24Å; D492-C496 PolarHBondContact O-SG 3.05Å; C496-S500 WeakPolarHBondContact O-CA 3.29Å; C496-S500 WeakPolarHBondContact O-CB 3.45Å; C496-S500 PolarHBondContact O-N 2.91Å; C496-S500 PolarHBondContact O-OG 3.39Å |
| 497 | Y | 55.9 | Low | 57 | Low | 168 Ų | 168 | 116.3 Ų | 116.3 | 66% | 0.659 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.1 | -35.8 | 174.5 | -128.5 | -91.9 | 0 | 0 | 0 | 112 | T493 L494 S495 K501 | T493-Y497 WeakPolarHBondContact O-CB 3.16Å; T493-Y497 PolarHBondContact O-N 3.3Å; L494-Y497 PolarHBondContact O-N 3.34Å; S495-Y497 VanDerWaalsContact C-N 3.29Å; S495-Y497 PolarHBondContact O-N 3.39Å; Y497-K501 PolarHBondContact O-N 2.82Å |
| 498 | R | 58.5 | Low | 54.3 | Low | 203 Ų | 203 | 120.7 Ų | 120.7 | 77% | 0.766 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71 | -45.7 | 174.3 | -87.2 | -175 | -174.1 | -171.1 | 1.8 | 111.8 | L494 S495 K501 G502 | L494-R498 WeakPolarHBondContact O-CB 3.29Å; L494-R498 WeakPolarHBondContact O-CG 3.49Å; L494-R498 PolarHBondContact O-N 3.31Å; S495-R498 CarbonylContact O-C 3.43Å; S495-R498 WeakPolarHBondContact O-CA 3.29Å; S495-R498 WeakPolarHBondContact O-CB 3.2Å; S495-R498 PolarHBondContact O-N 3.07Å; S495-R498 VanDerWaalsContact O-N 3.07Å; R498-K501 CarbonylContact O-C 3.56Å; R498-K501 VanDerWaalsContact O-C 3.25Å; R498-K501 PolarHBondContact O-N 2.64Å; R498-K501 VanDerWaalsContact O-N 3.13Å; R498-G502 VanDerWaalsContact O-CA 3.32Å; R498-G502 WeakPolarHBondContact O-CA 3.32Å; R498-G502 PolarHBondContact O-N 2.93Å |
| 499 | E | 50.1 | Low | 52 | Low | 125 Ų | 125 | 123.5 Ų | 123.5 | 58% | 0.584 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.5 | -37.1 | 179.9 | -71.7 | 172.4 | -153.6 | 0 | 0 | 111.1 | S495 K501 G502 | S495-E499 WeakPolarHBondContact O-CB 3.23Å; S495-E499 WeakPolarHBondContact O-CG 3.29Å; S495-E499 PolarHBondContact O-N 3.06Å; S495-E499 PolarHBondContact OG-OE1 3.43Å; E499-K501 PolarHBondContact O-N 2.89Å; E499-K501 VanDerWaalsContact O-N 3.16Å; E499-G502 CarbonylContact O-C 3.48Å; E499-G502 PolarHBondContact O-N 2.9Å; E499-G502 VanDerWaalsContact O-N 3.12Å |
| 500 | S | 46.6 | Very low | 49.4 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -14.7 | 170.5 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | C496 | C496-S500 WeakPolarHBondContact O-CA 3.29Å; C496-S500 WeakPolarHBondContact O-CB 3.45Å; C496-S500 PolarHBondContact O-N 2.91Å; C496-S500 PolarHBondContact O-OG 3.39Å |
| 501 | K | 40.4 | Very low | 47 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 80% | 0.8 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 9.7 | 172.1 | -80.2 | -160.5 | 172.6 | -173.7 | 0 | 114 | Y497 R498 E499 | Y497-K501 PolarHBondContact O-N 2.82Å; R498-K501 CarbonylContact O-C 3.56Å; R498-K501 VanDerWaalsContact O-C 3.25Å; R498-K501 PolarHBondContact O-N 2.64Å; R498-K501 VanDerWaalsContact O-N 3.13Å; E499-K501 PolarHBondContact O-N 2.89Å; E499-K501 VanDerWaalsContact O-N 3.16Å |
| 502 | G | 33.4 | Very low | 44.5 | Very low | 31 Ų | 31 | 129.7 Ų | 129.7 | 32% | 0.32 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -165.8 | 71.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111 | R498 E499 | R498-G502 VanDerWaalsContact O-CA 3.32Å; R498-G502 WeakPolarHBondContact O-CA 3.32Å; R498-G502 PolarHBondContact O-N 2.93Å; E499-G502 CarbonylContact O-C 3.48Å; E499-G502 PolarHBondContact O-N 2.9Å; E499-G502 VanDerWaalsContact O-N 3.12Å |
| 503 | D | 30.6 | Very low | 42.2 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 167.4 | 89.6 | 131.2 | -85 | -20.4 | 0 | 0 | 0 | 110.7 | ||
| 504 | Q | 27.6 | Very low | 40 | Very low | 193 Ų | 193 | 134 Ų | 134 | 90% | 0.902 | 71% | 0.707 | S | S | * | * | trans | 163.8 | 101.8 | 153.2 | -92.5 | 166.3 | 84.8 | 0 | 0 | 104 | ||||
| 505 | V | 28 | Very low | 37.8 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | -147.5 | 113.7 | 69.7 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 506 | S | 25.6 | Very low | 35.8 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -71.8 | 131.3 | 153.6 | -158.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 507 | V | 26 | Very low | 34 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 65.3 | 98.5 | 160.4 | -149.1 | 0 | 0 | 0 | 0 | 118.1 | ||
| 508 | K | 24.4 | Very low | 33.1 | Very low | 182 Ų | 182 | 141 Ų | 141 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | 170.4 | 137.9 | 110.3 | -90.9 | -178.2 | -178.1 | 175.4 | 0 | 110.6 | E510 | K508-E510 PolarHBondContact O-N 3.18Š| |||
| 509 | P | 36.4 | Very low | 31.8 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | -85.4 | 100.3 | -173.8 | 33.7 | -28.5 | 0 | 0 | 0 | 109.7 | ||||
| 510 | E | 27.5 | Very low | 30.9 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -163.7 | 77.9 | 169.9 | -113.3 | 164.5 | -165 | 0 | 0 | 108 | K508 | K508-E510 PolarHBondContact O-N 3.18Š| ||
| 511 | L | 28.1 | Very low | 30.2 | Very low | 177 Ų | 177 | 140.9 Ų | 140.9 | 93% | 0.927 | 76% | 0.757 | S | S | * | * | trans | -133.4 | 107 | 158.1 | -80.8 | 171.4 | 0 | 0 | 0 | 106.7 | ||||
| 512 | D | 27.8 | Very low | 29.9 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -44.8 | 141.7 | -179.7 | -67.6 | -56.8 | 0 | 0 | 0 | 112 | I514 | D512-I514 PolarHBondContact O-N 2.98Å; D512-I514 VanDerWaalsContact O-N 3.08Å | ||
| 513 | P | 31.2 | Very low | 30.3 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -57.3 | 123.1 | 175.5 | 23.7 | -30.3 | 0 | 0 | 0 | 108.2 | T515 | P513-T515 PolarHBondContact O-N 2.86Å; P513-T515 PolarHBondContact O-OG1 3.1Å | ||
| 514 | I | 28.7 | Very low | 30.9 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -53.8 | 99.5 | 164.1 | -65.7 | 172.6 | 0 | 0 | 0 | 105.4 | D512 I516 | D512-I514 PolarHBondContact O-N 2.98Å; D512-I514 VanDerWaalsContact O-N 3.08Å; I514-I516 HydrophobicContact CG2-CG1 3.99Å; I514-I516 PolarHBondContact O-N 3.42Å | ||
| 515 | T | 25.6 | Very low | 31.8 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -68.5 | 91.6 | 170.1 | -58.3 | 0 | 0 | 0 | 0 | 104 | P513 D517 | P513-T515 PolarHBondContact O-N 2.86Å; P513-T515 PolarHBondContact O-OG1 3.1Å; T515-D517 PolarHBondContact O-N 3.34Å | ||
| 516 | I | 33.2 | Very low | 32.7 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 67% | 0.672 | 77% | 0.773 | S | S | * | * | trans | -66.4 | 99.9 | 163.8 | -58.6 | -179.7 | 0 | 0 | 0 | 104.1 | I514 L518 | I514-I516 HydrophobicContact CG2-CG1 3.99Å; I514-I516 PolarHBondContact O-N 3.42Å; I516-L518 HydrophobicContact CG2-CG 4.07Å; I516-L518 PolarHBondContact O-N 3.34Å | ||
| 517 | D | 29.1 | Very low | 34.1 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -61.6 | 77.9 | 167.2 | -173.9 | 19 | 0 | 0 | 0 | 108.1 | T515 G519 | T515-D517 PolarHBondContact O-N 3.34Å; D517-G519 PolarHBondContact O-N 2.81Å | ||
| 518 | L | 36 | Very low | 35.6 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | -74.1 | 87.4 | 157.6 | -77.7 | 169.2 | 0 | 0 | 0 | 105.3 | I516 K520 | I516-L518 HydrophobicContact CG2-CG 4.07Å; I516-L518 PolarHBondContact O-N 3.34Å; L518-K520 PolarHBondContact O-N 3.49Å | ||
| 519 | G | 31.9 | Very low | 37.5 | Very low | 51 Ų | 51 | 131.3 Ų | 131.3 | 53% | 0.526 | 76% | 0.756 | S | S | . | * | trans | -40.6 | 123.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | D517 Q521 | D517-G519 PolarHBondContact O-N 2.81Å; G519-Q521 PolarHBondContact O-N 2.78Å | ||
| 520 | K | 31.1 | Very low | 39 | Very low | 209 Ų | 209 | 128.7 Ų | 128.7 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | trans | -31.5 | 94.7 | 168.6 | -61.4 | 168.4 | -178 | 175.3 | 0 | 110.9 | L518 | L518-K520 PolarHBondContact O-N 3.49Š| ||
| 521 | Q | 32.7 | Very low | 41 | Very low | 172 Ų | 172 | 124.4 Ų | 124.4 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -117.1 | 115.8 | 149.8 | -83.8 | -171.8 | -7.5 | 0 | 0 | 105.2 | G519 V523 | G519-Q521 PolarHBondContact O-N 2.78Å; Q521-V523 PolarHBondContact O-N 3Å | ||
| 522 | D | 33.4 | Very low | 43.3 | Very low | 172 Ų | 172 | 121 Ų | 121 | 92% | 0.92 | 71% | 0.706 | S | S | * | * | trans | -52.2 | 97.2 | 175.6 | -65.8 | -52.6 | 0 | 0 | 0 | 109.5 | ||||
| 523 | V | 42.5 | Very low | 45.6 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | trans | -109.5 | 103.6 | 165.8 | -171.7 | 0 | 0 | 0 | 0 | 106.9 | Q521 S525 | Q521-V523 PolarHBondContact O-N 3Å; V523-S525 PolarHBondContact O-N 3.31Å | ||
| 524 | S | 42 | Very low | 47.8 | Very low | 102 Ų | 102 | 117.9 Ų | 117.9 | 71% | 0.713 | 69% | 0.686 | S | S | * | * | trans | -38.2 | 120 | 174.7 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | G526 | S524-G526 PolarHBondContact O-N 2.93Š| ||
| 525 | S | 46 | Very low | 50.2 | Low | 131 Ų | 131 | 114 Ų | 114 | 92% | 0.916 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 11.1 | 94.1 | 144.7 | -35.1 | 0 | 0 | 0 | 0 | 116.3 | V523 | V523-S525 PolarHBondContact O-N 3.31Š|
| 526 | G | 47.9 | Very low | 52.9 | Low | 61 Ų | 61 | 116.7 Ų | 116.7 | 63% | 0.629 | 67% | 0.666 | S | S | * | * | trans | -161 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | S524 | S524-G526 PolarHBondContact O-N 2.93Š| ||
| 527 | D | 54.1 | Low | 55.1 | Low | 129 Ų | 129 | 116 Ų | 116 | 69% | 0.69 | 66% | 0.66 | S | S | * | * | trans | -113.1 | 28.7 | -158.4 | -72.5 | -31.2 | 0 | 0 | 0 | 117.2 | ||||
| 528 | S | 57.2 | Low | 57.7 | Low | 88 Ų | 88 | 113.2 Ų | 113.2 | 62% | 0.615 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.2 | -27 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 114 | N532 | S528-N532 PolarHBondContact O-ND2 2.98Å |
| 529 | S | 65.9 | Low | 60.1 | Low | 80 Ų | 80 | 111.9 Ų | 111.9 | 56% | 0.559 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.2 | -37 | -178.9 | 58.4 | 0 | 0 | 0 | 0 | 112.7 | T533 | S529-T533 PolarHBondContact O-N 3.39Å; S529-T533 VanDerWaalsContact O-N 3.13Å; S529-T533 PolarHBondContact O-OG1 3.42Å |
| 530 | T | 67 | Low | 62.7 | Low | 73 Ų | 73 | 113.4 Ų | 113.4 | 45% | 0.448 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67.4 | -44.2 | -177.2 | -40.9 | 0 | 0 | 0 | 0 | 111.4 | T533 I534 | T530-T533 PolarHBondContact O-N 3.26Å; T530-I534 HydrophobicContact CG2-CD1 4.33Å; T530-I534 WeakPolarHBondContact O-CG1 3.38Å; T530-I534 PolarHBondContact O-N 3.16Å; T530-I534 VanDerWaalsContact O-N 3.1Å |
| 531 | V | 70.5 | Confident | 65.1 | Low | 88 Ų | 88 | 108.5 Ų | 108.5 | 53% | 0.533 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.7 | -45.3 | 178.8 | 178 | 0 | 0 | 0 | 0 | 111 | T533 I534 T535 | V531-T533 VanDerWaalsContact C-N 3.27Å; V531-T533 PolarHBondContact O-N 3.02Å; V531-I534 PolarHBondContact O-N 3.07Å; V531-T535 PolarHBondContact O-N 2.98Å; V531-T535 PolarHBondContact O-OG1 3.03Å |
| 532 | N | 75.9 | Confident | 67.6 | Low | 106 Ų | 106 | 103.3 Ų | 103.3 | 57% | 0.567 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.3 | -34.6 | 178 | -71.8 | -18.3 | 0 | 0 | 0 | 112.6 | S528 R536 | S528-N532 PolarHBondContact O-ND2 2.98Å; N532-R536 PolarHBondContact O-N 3.39Å |
| 533 | T | 75.7 | Confident | 70.1 | Confident | 83 Ų | 83 | 100.8 Ų | 100.8 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.4 | -46.7 | 177.3 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | S529 T530 V531 T535 R536 Q537 | S529-T533 PolarHBondContact O-N 3.39Å; S529-T533 VanDerWaalsContact O-N 3.13Å; S529-T533 PolarHBondContact O-OG1 3.42Å; T530-T533 PolarHBondContact O-N 3.26Å; V531-T533 VanDerWaalsContact C-N 3.27Å; V531-T533 PolarHBondContact O-N 3.02Å; T533-T535 PolarHBondContact O-N 3.5Å; T533-R536 PolarHBondContact O-N 3.34Å; T533-Q537 PolarHBondContact O-N 3.41Å |
| 534 | I | 77 | Confident | 72.2 | Confident | 104 Ų | 104 | 100.9 Ų | 100.9 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.5 | -43.8 | 179.2 | -65.8 | 168.3 | 0 | 0 | 0 | 110.8 | T530 V531 R536 Q537 V538 | T530-I534 HydrophobicContact CG2-CD1 4.33Å; T530-I534 WeakPolarHBondContact O-CG1 3.38Å; T530-I534 PolarHBondContact O-N 3.16Å; T530-I534 VanDerWaalsContact O-N 3.1Å; V531-I534 PolarHBondContact O-N 3.07Å; I534-R536 VanDerWaalsContact C-N 3.33Å; I534-R536 PolarHBondContact O-N 3.23Å; I534-Q537 WeakPolarHBondContact O-CB 3.42Å; I534-Q537 PolarHBondContact O-N 3.24Å; I534-Q537 VanDerWaalsContact O-N 3.16Å; I534-V538 HydrophobicContact CG2-CG2 4.44Å; I534-V538 WeakPolarHBondContact O-CG2 3.38Å; I534-V538 PolarHBondContact O-N 3.33Å |
| 535 | T | 79.6 | Confident | 74.3 | Confident | 69 Ų | 69 | 101 Ų | 101 | 42% | 0.423 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -57.5 | -45.8 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | V531 T533 Q537 V538 E539 | V531-T535 PolarHBondContact O-N 2.98Å; V531-T535 PolarHBondContact O-OG1 3.03Å; T533-T535 PolarHBondContact O-N 3.5Å; T535-Q537 VanDerWaalsContact C-N 3.32Å; T535-Q537 PolarHBondContact O-N 3.07Å; T535-V538 PolarHBondContact O-N 2.85Å; T535-E539 PolarHBondContact O-N 3.2Å; T535-E539 VanDerWaalsContact O-N 3.09Å |
| 536 | R | 81.8 | Confident | 76.3 | Confident | 180 Ų | 180 | 101.9 Ų | 101.9 | 68% | 0.679 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.5 | -36.2 | 178.2 | -161.4 | 177.2 | -174.8 | 115.3 | -0.6 | 112.4 | N532 T533 I534 E539 I540 | N532-R536 PolarHBondContact O-N 3.39Å; T533-R536 PolarHBondContact O-N 3.34Å; I534-R536 VanDerWaalsContact C-N 3.33Å; I534-R536 PolarHBondContact O-N 3.23Å; R536-E539 PolarHBondContact O-N 3.09Å; R536-I540 WeakPolarHBondContact O-CG1 3.23Å; R536-I540 PolarHBondContact O-N 3.49Å |
| 537 | Q | 80.2 | Confident | 78.1 | Confident | 117 Ų | 117 | 104.2 Ų | 104.2 | 55% | 0.547 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 175.9 | -150.8 | 95.3 | 27.4 | 0 | 0 | 111.7 | T533 I534 T535 I540 L541 | T533-Q537 PolarHBondContact O-N 3.41Å; I534-Q537 WeakPolarHBondContact O-CB 3.42Å; I534-Q537 PolarHBondContact O-N 3.24Å; I534-Q537 VanDerWaalsContact O-N 3.16Å; T535-Q537 VanDerWaalsContact C-N 3.32Å; T535-Q537 PolarHBondContact O-N 3.07Å; Q537-I540 PolarHBondContact O-N 3.4Å; Q537-L541 WeakPolarHBondContact O-CG 3.47Å; Q537-L541 PolarHBondContact O-N 2.83Å |
| 538 | V | 83.5 | Confident | 79.5 | Confident | 82 Ų | 82 | 100.8 Ų | 100.8 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 179 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | I534 T535 L541 S542 | I534-V538 HydrophobicContact CG2-CG2 4.44Å; I534-V538 WeakPolarHBondContact O-CG2 3.38Å; I534-V538 PolarHBondContact O-N 3.33Å; T535-V538 PolarHBondContact O-N 2.85Å; V538-L541 PolarHBondContact O-N 3.45Å; V538-S542 WeakPolarHBondContact O-CB 3.48Å; V538-S542 PolarHBondContact O-N 3.25Å; V538-S542 PolarHBondContact O-OG 3.43Å |
| 539 | E | 85.6 | Confident | 80.9 | Confident | 125 Ų | 125 | 101.3 Ų | 101.3 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.4 | -45.8 | 174.5 | -73.9 | 173.1 | 177.5 | 0 | 0 | 111.9 | T535 R536 S542 Q543 | T535-E539 PolarHBondContact O-N 3.2Å; T535-E539 VanDerWaalsContact O-N 3.09Å; R536-E539 PolarHBondContact O-N 3.09Å; E539-S542 PolarHBondContact O-N 2.61Å; E539-Q543 PolarHBondContact O-N 3.45Å |
| 540 | I | 86.1 | Confident | 81.9 | Confident | 82 Ų | 82 | 100.3 Ų | 100.3 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 177.6 | -67.8 | 167.1 | 0 | 0 | 0 | 111 | R536 Q537 S542 Q543 K544 | R536-I540 WeakPolarHBondContact O-CG1 3.23Å; R536-I540 PolarHBondContact O-N 3.49Å; Q537-I540 PolarHBondContact O-N 3.4Å; I540-S542 VanDerWaalsContact C-N 3.35Å; I540-Q543 PolarHBondContact O-N 2.83Å; I540-K544 PolarHBondContact O-N 3.2Å |
| 541 | L | 82.3 | Confident | 82.8 | Confident | 107 Ų | 107 | 102.8 Ų | 102.8 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.2 | -38.7 | 178.4 | -71.7 | 171.7 | 0 | 0 | 0 | 111.9 | Q537 V538 Q543 K544 L545 | Q537-L541 WeakPolarHBondContact O-CG 3.47Å; Q537-L541 PolarHBondContact O-N 2.83Å; V538-L541 PolarHBondContact O-N 3.45Å; L541-Q543 VanDerWaalsContact C-N 3.3Å; L541-Q543 PolarHBondContact O-N 3.11Å; L541-K544 PolarHBondContact O-N 3.35Å; L541-L545 WeakPolarHBondContact O-CB 3.49Å; L541-L545 PolarHBondContact O-N 3.09Å |
| 542 | S | 84.5 | Confident | 83.2 | Confident | 62 Ų | 62 | 103.2 Ų | 103.2 | 43% | 0.434 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -34.8 | 175.9 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | V538 E539 I540 K546 | V538-S542 WeakPolarHBondContact O-CB 3.48Å; V538-S542 PolarHBondContact O-N 3.25Å; V538-S542 PolarHBondContact O-OG 3.43Å; E539-S542 PolarHBondContact O-N 2.61Å; I540-S542 VanDerWaalsContact C-N 3.35Å; S542-K546 PolarHBondContact O-N 3.49Å |
| 543 | Q | 87.7 | Confident | 83.7 | Confident | 119 Ų | 119 | 104.9 Ų | 104.9 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.5 | -46 | 174.7 | -174.5 | 172.3 | -6.5 | 0 | 0 | 111.7 | E539 I540 L541 L545 K546 E547 | E539-Q543 PolarHBondContact O-N 3.45Å; I540-Q543 PolarHBondContact O-N 2.83Å; L541-Q543 VanDerWaalsContact C-N 3.3Å; L541-Q543 PolarHBondContact O-N 3.11Å; Q543-L545 VanDerWaalsContact C-N 3.28Å; Q543-L545 PolarHBondContact O-N 2.93Å; Q543-K546 PolarHBondContact O-N 2.95Å; Q543-K546 VanDerWaalsContact O-N 3.16Å; Q543-E547 PolarHBondContact NE2-OE1 3.02Å; Q543-E547 PolarHBondContact O-N 3.43Å; Q543-E547 VanDerWaalsContact O-N 3.08Å |
| 544 | K | 85.6 | Confident | 84.2 | Confident | 131 Ų | 131 | 106.7 Ų | 106.7 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.1 | -37.2 | 175.8 | -73.8 | -173.1 | 173.4 | -169.3 | 0 | 112.8 | I540 L541 E547 S548 | I540-K544 PolarHBondContact O-N 3.2Å; L541-K544 PolarHBondContact O-N 3.35Å; K544-E547 PolarHBondContact O-N 3.27Å; K544-S548 WeakPolarHBondContact O-CB 3.47Å; K544-S548 PolarHBondContact O-N 3.29Å |
| 545 | L | 85.9 | Confident | 84.5 | Confident | 104 Ų | 104 | 105.8 Ų | 105.8 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 175.5 | -175.1 | 67.6 | 0 | 0 | 0 | 111.3 | L541 Q543 E547 S548 E549 | L541-L545 WeakPolarHBondContact O-CB 3.49Å; L541-L545 PolarHBondContact O-N 3.09Å; Q543-L545 VanDerWaalsContact C-N 3.28Å; Q543-L545 PolarHBondContact O-N 2.93Å; L545-E547 PolarHBondContact O-N 3.35Å; L545-S548 PolarHBondContact O-N 3.19Å; L545-E549 WeakPolarHBondContact O-CG 3.49Å; L545-E549 PolarHBondContact O-N 3.2Å |
| 546 | K | 88.1 | Confident | 84.8 | Confident | 150 Ų | 150 | 105.6 Ų | 105.6 | 65% | 0.652 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 177.4 | -74.4 | -179.8 | 178.8 | 179.3 | 0 | 113.1 | S542 Q543 E549 A550 | S542-K546 PolarHBondContact O-N 3.49Å; Q543-K546 PolarHBondContact O-N 2.95Å; Q543-K546 VanDerWaalsContact O-N 3.16Å; K546-E549 PolarHBondContact O-N 3.3Å; K546-A550 PolarHBondContact O-N 3.37Å |
| 547 | E | 85.7 | Confident | 85.1 | Confident | 110 Ų | 110 | 99.8 Ų | 99.8 | 51% | 0.514 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 176.5 | -72.8 | 168.7 | -173 | 0 | 0 | 111 | Q543 K544 L545 A550 Q551 | Q543-E547 PolarHBondContact NE2-OE1 3.02Å; Q543-E547 PolarHBondContact O-N 3.43Å; Q543-E547 VanDerWaalsContact O-N 3.08Å; K544-E547 PolarHBondContact O-N 3.27Å; L545-E547 PolarHBondContact O-N 3.35Å; E547-A550 PolarHBondContact O-N 3.5Å; E547-Q551 PolarHBondContact O-N 2.6Å |
| 548 | S | 83.4 | Confident | 85.2 | Confident | 56 Ų | 56 | 97.6 Ų | 97.6 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 175 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | K544 L545 A550 Q551 N552 | K544-S548 WeakPolarHBondContact O-CB 3.47Å; K544-S548 PolarHBondContact O-N 3.29Å; L545-S548 PolarHBondContact O-N 3.19Å; S548-A550 PolarHBondContact O-N 3.43Å; S548-Q551 PolarHBondContact O-N 2.86Å; S548-N552 WeakPolarHBondContact O-CB 3.35Å; S548-N552 PolarHBondContact O-N 3.35Å; S548-N552 PolarHBondContact O-ND2 3.2Å |
| 549 | E | 86.6 | Confident | 85.1 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 175 | -76 | 174.3 | 170.1 | 0 | 0 | 112.3 | L545 K546 N552 Q553 | L545-E549 WeakPolarHBondContact O-CG 3.49Å; L545-E549 PolarHBondContact O-N 3.2Å; K546-E549 PolarHBondContact O-N 3.3Å; E549-N552 PolarHBondContact O-N 3.05Å; E549-Q553 WeakPolarHBondContact O-CG 3.38Å; E549-Q553 PolarHBondContact O-N 3.12Å |
| 550 | A | 87.3 | Confident | 85.1 | Confident | 58 Ų | 58 | 94.3 Ų | 94.3 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K546 E547 S548 Q553 L554 | K546-A550 PolarHBondContact O-N 3.37Å; E547-A550 PolarHBondContact O-N 3.5Å; S548-A550 PolarHBondContact O-N 3.43Å; A550-Q553 PolarHBondContact O-N 2.78Å; A550-L554 PolarHBondContact O-N 3.23Å |
| 551 | Q | 84.8 | Confident | 85.2 | Confident | 126 Ų | 126 | 96.4 Ų | 96.4 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.4 | -42.7 | 175.7 | -171.3 | 173.6 | 4.5 | 0 | 0 | 111.8 | E547 S548 Q553 L554 I555 | E547-Q551 PolarHBondContact O-N 2.6Å; S548-Q551 PolarHBondContact O-N 2.86Å; Q551-Q553 VanDerWaalsContact C-N 3.31Å; Q551-Q553 PolarHBondContact O-N 3.33Å; Q551-L554 PolarHBondContact O-N 3.37Å; Q551-I555 HydrophobicContact CG-CD1 4.12Å; Q551-I555 WeakPolarHBondContact O-CG1 3.46Å; Q551-I555 PolarHBondContact O-N 3.43Å |
| 552 | N | 79.7 | Confident | 85.1 | Confident | 96 Ų | 96 | 96.5 Ų | 96.5 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 176.1 | -76.3 | -27.5 | 0 | 0 | 0 | 112.4 | S548 E549 I555 S556 | S548-N552 WeakPolarHBondContact O-CB 3.35Å; S548-N552 PolarHBondContact O-N 3.35Å; S548-N552 PolarHBondContact O-ND2 3.2Å; E549-N552 PolarHBondContact O-N 3.05Å; N552-I555 PolarHBondContact O-N 2.94Å; N552-S556 WeakPolarHBondContact O-CB 3.41Å; N552-S556 PolarHBondContact O-N 2.88Å |
| 553 | Q | 86 | Confident | 84.9 | Confident | 142 Ų | 142 | 99.5 Ų | 99.5 | 66% | 0.664 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.7 | -40.7 | 174 | -72.4 | 174.1 | 17.1 | 0 | 0 | 112.2 | E549 A550 Q551 S556 A557 | E549-Q553 WeakPolarHBondContact O-CG 3.38Å; E549-Q553 PolarHBondContact O-N 3.12Å; A550-Q553 PolarHBondContact O-N 2.78Å; Q551-Q553 VanDerWaalsContact C-N 3.31Å; Q551-Q553 PolarHBondContact O-N 3.33Å; Q553-S556 PolarHBondContact O-N 2.73Å; Q553-A557 PolarHBondContact O-N 3.36Å |
| 554 | L | 87.7 | Confident | 84.9 | Confident | 120 Ų | 120 | 99.4 Ų | 99.4 | 63% | 0.628 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.3 | -42.3 | 176.7 | -176.2 | 65.8 | 0 | 0 | 0 | 112 | A550 Q551 A557 T558 | A550-L554 PolarHBondContact O-N 3.23Å; Q551-L554 PolarHBondContact O-N 3.37Å; L554-A557 PolarHBondContact O-N 3.09Å; L554-T558 PolarHBondContact O-N 3.14Å; L554-T558 PolarHBondContact O-OG1 3.4Å |
| 555 | I | 83 | Confident | 84.8 | Confident | 86 Ų | 86 | 97.6 Ų | 97.6 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 175.1 | -67.6 | 167.9 | 0 | 0 | 0 | 109.9 | Q551 N552 A557 T558 V559 | Q551-I555 HydrophobicContact CG-CD1 4.12Å; Q551-I555 WeakPolarHBondContact O-CG1 3.46Å; Q551-I555 PolarHBondContact O-N 3.43Å; N552-I555 PolarHBondContact O-N 2.94Å; I555-A557 PolarHBondContact O-N 3.24Å; I555-T558 PolarHBondContact O-N 2.93Å; I555-T558 VanDerWaalsContact O-N 3.15Å; I555-V559 HydrophobicContact CG2-CG2 4.35Å; I555-V559 WeakPolarHBondContact O-CG2 3.36Å; I555-V559 PolarHBondContact O-N 3.41Å |
| 556 | S | 84.7 | Confident | 84.5 | Confident | 64 Ų | 64 | 97.5 Ų | 97.5 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 177.4 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | N552 Q553 T558 V559 D560 | N552-S556 WeakPolarHBondContact O-CB 3.41Å; N552-S556 PolarHBondContact O-N 2.88Å; Q553-S556 PolarHBondContact O-N 2.73Å; S556-T558 VanDerWaalsContact C-N 3.31Å; S556-T558 PolarHBondContact O-N 3.08Å; S556-V559 PolarHBondContact O-N 2.84Å; S556-D560 PolarHBondContact O-N 3.15Å |
| 557 | A | 88.4 | Confident | 84.3 | Confident | 59 Ų | 59 | 93.3 Ų | 93.3 | 49% | 0.488 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -36.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q553 L554 I555 D560 L561 | Q553-A557 PolarHBondContact O-N 3.36Å; L554-A557 PolarHBondContact O-N 3.09Å; I555-A557 PolarHBondContact O-N 3.24Å; A557-D560 PolarHBondContact O-N 3.38Å; A557-L561 PolarHBondContact O-N 3.16Å; A557-L561 VanDerWaalsContact O-N 3.09Å |
| 558 | T | 82.3 | Confident | 84.3 | Confident | 70 Ų | 70 | 93.3 Ų | 93.3 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.6 | -42.8 | 177 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | L554 I555 S556 D560 L561 L562 | L554-T558 PolarHBondContact O-N 3.14Å; L554-T558 PolarHBondContact O-OG1 3.4Å; I555-T558 PolarHBondContact O-N 2.93Å; I555-T558 VanDerWaalsContact O-N 3.15Å; S556-T558 VanDerWaalsContact C-N 3.31Å; S556-T558 PolarHBondContact O-N 3.08Å; T558-D560 VanDerWaalsContact C-N 3.32Å; T558-D560 PolarHBondContact O-N 2.85Å; T558-L561 PolarHBondContact O-N 3.14Å; T558-L562 HydrophobicContact CG2-CD1 4.27Å; T558-L562 WeakPolarHBondContact O-CG 3.33Å; T558-L562 PolarHBondContact O-N 3.3Å |
| 559 | V | 81 | Confident | 83.9 | Confident | 61 Ų | 61 | 95.2 Ų | 95.2 | 37% | 0.37 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 175.1 | 168.7 | 0 | 0 | 0 | 0 | 111 | I555 S556 L562 K563 | I555-V559 HydrophobicContact CG2-CG2 4.35Å; I555-V559 WeakPolarHBondContact O-CG2 3.36Å; I555-V559 PolarHBondContact O-N 3.41Å; S556-V559 PolarHBondContact O-N 2.84Å; V559-L562 PolarHBondContact O-N 3.01Å; V559-K563 HydrophobicContact CG1-CD 4.13Å; V559-K563 WeakPolarHBondContact O-CB 3.46Å; V559-K563 VanDerWaalsContact O-CG 3.29Å; V559-K563 WeakPolarHBondContact O-CG 3.48Å; V559-K563 PolarHBondContact O-N 3.39Å |
| 560 | D | 86.5 | Confident | 83.4 | Confident | 78 Ų | 78 | 95.4 Ų | 95.4 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 177.9 | -69.2 | -24.6 | 0 | 0 | 0 | 112.3 | S556 A557 T558 N564 | S556-D560 PolarHBondContact O-N 3.15Å; A557-D560 PolarHBondContact O-N 3.38Å; T558-D560 VanDerWaalsContact C-N 3.32Å; T558-D560 PolarHBondContact O-N 2.85Å; D560-N564 PolarHBondContact O-N 3.32Å; D560-N564 PolarHBondContact O-ND2 3.35Å |
| 561 | L | 87.4 | Confident | 83.2 | Confident | 126 Ų | 126 | 97.7 Ų | 97.7 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -45.6 | 174.3 | -163.9 | 111.9 | 0 | 0 | 0 | 111.7 | A557 T558 K563 N564 E565 | A557-L561 PolarHBondContact O-N 3.16Å; A557-L561 VanDerWaalsContact O-N 3.09Å; T558-L561 PolarHBondContact O-N 3.14Å; L561-K563 PolarHBondContact O-N 3.13Å; L561-N564 PolarHBondContact O-N 3.07Å; L561-E565 PolarHBondContact O-N 3.48Å; L561-E565 VanDerWaalsContact O-N 3.08Å |
| 562 | L | 79.8 | Confident | 83.1 | Confident | 109 Ų | 109 | 95 Ų | 95 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -36.3 | 178.1 | -70.8 | 172.7 | 0 | 0 | 0 | 112.5 | T558 V559 N564 E565 L566 | T558-L562 HydrophobicContact CG2-CD1 4.27Å; T558-L562 WeakPolarHBondContact O-CG 3.33Å; T558-L562 PolarHBondContact O-N 3.3Å; V559-L562 PolarHBondContact O-N 3.01Å; L562-N564 VanDerWaalsContact C-N 3.35Å; L562-E565 PolarHBondContact O-N 2.89Å; L562-L566 VanDerWaalsContact O-CB 3.29Å; L562-L566 WeakPolarHBondContact O-CB 3.39Å; L562-L566 PolarHBondContact O-N 3.12Å |
| 563 | K | 82.3 | Confident | 82.9 | Confident | 125 Ų | 125 | 98.7 Ų | 98.7 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 173.6 | -77.6 | 172.2 | -178.8 | 169.8 | 0 | 112.3 | V559 L561 L566 S567 | V559-K563 HydrophobicContact CG1-CD 4.13Å; V559-K563 WeakPolarHBondContact O-CB 3.46Å; V559-K563 VanDerWaalsContact O-CG 3.29Å; V559-K563 WeakPolarHBondContact O-CG 3.48Å; V559-K563 PolarHBondContact O-N 3.39Å; L561-K563 PolarHBondContact O-N 3.13Å; K563-L566 PolarHBondContact O-N 3.01Å; K563-S567 WeakPolarHBondContact O-CB 3.47Å; K563-S567 PolarHBondContact O-N 3.48Å |
| 564 | N | 86.7 | Confident | 82.5 | Confident | 117 Ų | 117 | 98.1 Ų | 98.1 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67 | -44.7 | 177.8 | -69.9 | -27.7 | 0 | 0 | 0 | 111.6 | D560 L561 L562 S567 E568 | D560-N564 PolarHBondContact O-N 3.32Å; D560-N564 PolarHBondContact O-ND2 3.35Å; L561-N564 PolarHBondContact O-N 3.07Å; L562-N564 VanDerWaalsContact C-N 3.35Å; N564-S567 WeakPolarHBondContact O-CB 3.38Å; N564-S567 PolarHBondContact O-N 2.92Å; N564-E568 PolarHBondContact O-N 3.36Å |
| 565 | E | 84.3 | Confident | 82.4 | Confident | 92 Ų | 92 | 98.5 Ų | 98.5 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 175.1 | -177.3 | 64 | -143.4 | 0 | 0 | 111.2 | L561 L562 S567 E568 Q569 | L561-E565 PolarHBondContact O-N 3.48Å; L561-E565 VanDerWaalsContact O-N 3.08Å; L562-E565 PolarHBondContact O-N 2.89Å; E565-S567 VanDerWaalsContact C-N 3.3Å; E565-S567 PolarHBondContact O-N 3.47Å; E565-E568 PolarHBondContact O-N 2.93Å; E565-E568 VanDerWaalsContact O-N 3.17Å; E565-Q569 WeakPolarHBondContact O-CG 3.32Å; E565-Q569 PolarHBondContact O-N 3.06Å; E565-Q569 PolarHBondContact OE1-NE2 3.39Å |
| 566 | L | 78.5 | Confident | 81.9 | Confident | 103 Ų | 103 | 99 Ų | 99 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 176.4 | -177.4 | 62.9 | 0 | 0 | 0 | 111.5 | L562 K563 Q569 H570 | L562-L566 VanDerWaalsContact O-CB 3.29Å; L562-L566 WeakPolarHBondContact O-CB 3.39Å; L562-L566 PolarHBondContact O-N 3.12Å; K563-L566 PolarHBondContact O-N 3.01Å; L566-Q569 PolarHBondContact O-N 3.39Å; L566-H570 PolarHBondContact O-CD2 2.96Å; L566-H570 VanDerWaalsContact O-CD2 3.23Å; L566-H570 PolarHBondContact O-N 3.43Å |
| 567 | S | 84.7 | Confident | 81.3 | Confident | 61 Ų | 61 | 102.1 Ų | 102.1 | 43% | 0.427 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 175 | -168.3 | 0 | 0 | 0 | 0 | 112.2 | K563 N564 E565 H570 E571 | K563-S567 WeakPolarHBondContact O-CB 3.47Å; K563-S567 PolarHBondContact O-N 3.48Å; N564-S567 WeakPolarHBondContact O-CB 3.38Å; N564-S567 PolarHBondContact O-N 2.92Å; E565-S567 VanDerWaalsContact C-N 3.3Å; E565-S567 PolarHBondContact O-N 3.47Å; S567-H570 PolarHBondContact O-N 3.37Å; S567-E571 PolarHBondContact O-N 3.11Å |
| 568 | E | 84.3 | Confident | 80.9 | Confident | 111 Ų | 111 | 102.9 Ų | 102.9 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 177.6 | -173.1 | 169.4 | -177.9 | 0 | 0 | 111.6 | N564 E565 H570 E571 I572 | N564-E568 PolarHBondContact O-N 3.36Å; E565-E568 PolarHBondContact O-N 2.93Å; E565-E568 VanDerWaalsContact O-N 3.17Å; E568-H570 VanDerWaalsContact C-N 3.33Å; E568-H570 PolarHBondContact O-N 3.11Å; E568-E571 PolarHBondContact O-N 3.35Å; E568-I572 HydrophobicContact CG-CD1 4.26Å; E568-I572 WeakPolarHBondContact O-CG1 3.32Å; E568-I572 PolarHBondContact O-N 3.5Å |
| 569 | Q | 75.3 | Confident | 80.3 | Confident | 96 Ų | 96 | 103.9 Ų | 103.9 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 174.4 | -66.2 | -58.2 | -29.3 | 0 | 0 | 112.3 | E565 L566 I572 R573 | E565-Q569 WeakPolarHBondContact O-CG 3.32Å; E565-Q569 PolarHBondContact O-N 3.06Å; E565-Q569 PolarHBondContact OE1-NE2 3.39Å; L566-Q569 PolarHBondContact O-N 3.39Å; Q569-I572 PolarHBondContact O-N 2.92Å; Q569-R573 WeakPolarHBondContact O-CB 3.5Å; Q569-R573 PolarHBondContact O-N 2.95Å |
| 570 | H | 76.3 | Confident | 79.7 | Confident | 104 Ų | 104 | 104.7 Ų | 104.7 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 173.3 | -92.1 | -74.6 | 0 | 0 | 0 | 112.2 | L566 S567 E568 I572 R573 E574 | L566-H570 PolarHBondContact O-CD2 2.96Å; L566-H570 VanDerWaalsContact O-CD2 3.23Å; L566-H570 PolarHBondContact O-N 3.43Å; S567-H570 PolarHBondContact O-N 3.37Å; E568-H570 VanDerWaalsContact C-N 3.33Å; E568-H570 PolarHBondContact O-N 3.11Å; H570-I572 VanDerWaalsContact C-N 3.33Å; H570-I572 PolarHBondContact O-N 3.25Å; H570-R573 PolarHBondContact O-N 2.86Å; H570-E574 PolarHBondContact O-N 3.02Å |
| 571 | E | 83.9 | Confident | 79.1 | Confident | 105 Ų | 105 | 105.9 Ų | 105.9 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 177.1 | -74.1 | -173.5 | -165.4 | 0 | 0 | 112.7 | S567 E568 K575 | S567-E571 PolarHBondContact O-N 3.11Å; E568-E571 PolarHBondContact O-N 3.35Å; E571-K575 WeakPolarHBondContact O-CG 3.41Å; E571-K575 PolarHBondContact O-N 3.36Å; E571-K575 VanDerWaalsContact O-N 3.16Å |
| 572 | I | 82.3 | Confident | 78.5 | Confident | 69 Ų | 69 | 102.6 Ų | 102.6 | 35% | 0.354 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 175.6 | -67.1 | 167.7 | 0 | 0 | 0 | 110.2 | E568 Q569 H570 K575 L576 | E568-I572 HydrophobicContact CG-CD1 4.26Å; E568-I572 WeakPolarHBondContact O-CG1 3.32Å; E568-I572 PolarHBondContact O-N 3.5Å; Q569-I572 PolarHBondContact O-N 2.92Å; H570-I572 VanDerWaalsContact C-N 3.33Å; H570-I572 PolarHBondContact O-N 3.25Å; I572-K575 PolarHBondContact O-N 3.41Å; I572-L576 HydrophobicContact CG2-CD1 3.98Å; I572-L576 WeakPolarHBondContact O-CG 3.42Å; I572-L576 PolarHBondContact O-N 3.35Å |
| 573 | R | 75.2 | Confident | 77.9 | Confident | 175 Ų | 175 | 101.7 Ų | 101.7 | 66% | 0.66 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | 177.8 | -174.8 | -176.2 | -71.8 | -135.8 | 0.6 | 112 | Q569 H570 K575 L576 Q577 | Q569-R573 WeakPolarHBondContact O-CB 3.5Å; Q569-R573 PolarHBondContact O-N 2.95Å; H570-R573 PolarHBondContact O-N 2.86Å; R573-K575 VanDerWaalsContact C-N 3.32Å; R573-K575 PolarHBondContact O-N 3.01Å; R573-L576 PolarHBondContact O-N 3.03Å; R573-Q577 WeakPolarHBondContact O-CB 3.45Å; R573-Q577 PolarHBondContact O-N 3.43Å |
| 574 | E | 78.9 | Confident | 77.1 | Confident | 129 Ų | 129 | 101.4 Ų | 101.4 | 60% | 0.603 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.5 | -38.7 | 177.7 | -76.2 | -170.4 | 152.9 | 0 | 0 | 112.3 | H570 Q577 S578 | H570-E574 PolarHBondContact O-N 3.02Å; E574-Q577 PolarHBondContact O-N 3.29Å; E574-S578 WeakPolarHBondContact O-CB 3.47Å; E574-S578 PolarHBondContact O-N 2.92Å; E574-S578 PolarHBondContact O-OG 2.95Å |
| 575 | K | 83.6 | Confident | 76.5 | Confident | 128 Ų | 128 | 101.1 Ų | 101.1 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.2 | -48.3 | 173.9 | -75.2 | 169.2 | -173.3 | 156.4 | 0 | 111.7 | E571 I572 R573 Q577 S578 E579 | E571-K575 WeakPolarHBondContact O-CG 3.41Å; E571-K575 PolarHBondContact O-N 3.36Å; E571-K575 VanDerWaalsContact O-N 3.16Å; I572-K575 PolarHBondContact O-N 3.41Å; R573-K575 VanDerWaalsContact C-N 3.32Å; R573-K575 PolarHBondContact O-N 3.01Å; K575-Q577 VanDerWaalsContact C-N 3.33Å; K575-Q577 PolarHBondContact O-N 3.02Å; K575-S578 PolarHBondContact O-N 3.48Å; K575-E579 WeakPolarHBondContact O-CG 3.35Å; K575-E579 PolarHBondContact O-N 2.67Å |
| 576 | L | 72.9 | Confident | 76 | Confident | 96 Ų | 96 | 101.6 Ų | 101.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 178.3 | -74.6 | 169.4 | 0 | 0 | 0 | 112 | I572 R573 E579 V580 | I572-L576 HydrophobicContact CG2-CD1 3.98Å; I572-L576 WeakPolarHBondContact O-CG 3.42Å; I572-L576 PolarHBondContact O-N 3.35Å; R573-L576 PolarHBondContact O-N 3.03Å; L576-E579 PolarHBondContact O-N 2.79Å; L576-V580 WeakPolarHBondContact O-CG2 3.49Å; L576-V580 PolarHBondContact O-N 3.31Å |
| 577 | Q | 73.1 | Confident | 75.6 | Confident | 131 Ų | 131 | 100.6 Ų | 100.6 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.4 | -41.6 | 176.8 | -174 | 172.5 | -1.7 | 0 | 0 | 111.8 | R573 E574 K575 E579 V580 Q581 | R573-Q577 WeakPolarHBondContact O-CB 3.45Å; R573-Q577 PolarHBondContact O-N 3.43Å; E574-Q577 PolarHBondContact O-N 3.29Å; K575-Q577 VanDerWaalsContact C-N 3.33Å; K575-Q577 PolarHBondContact O-N 3.02Å; Q577-E579 VanDerWaalsContact C-N 3.32Å; Q577-E579 PolarHBondContact O-N 3.32Å; Q577-V580 PolarHBondContact O-N 2.72Å; Q577-Q581 PolarHBondContact O-N 3.07Å |
| 578 | S | 79.1 | Confident | 74.8 | Confident | 74 Ų | 74 | 104.5 Ų | 104.5 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 174.5 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | E574 K575 A582 | E574-S578 WeakPolarHBondContact O-CB 3.47Å; E574-S578 PolarHBondContact O-N 2.92Å; E574-S578 PolarHBondContact O-OG 2.95Å; K575-S578 PolarHBondContact O-N 3.48Å; S578-A582 WeakPolarHBondContact O-CB 3.4Å; S578-A582 PolarHBondContact O-N 3.32Å; S578-A582 VanDerWaalsContact O-N 3.07Å |
| 579 | E | 70.9 | Confident | 74.4 | Confident | 91 Ų | 91 | 102.4 Ų | 102.4 | 43% | 0.425 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 174.2 | -74.6 | -174.6 | 171.5 | 0 | 0 | 111.5 | K575 L576 Q577 Q581 A582 F583 | K575-E579 WeakPolarHBondContact O-CG 3.35Å; K575-E579 PolarHBondContact O-N 2.67Å; L576-E579 PolarHBondContact O-N 2.79Å; Q577-E579 VanDerWaalsContact C-N 3.32Å; Q577-E579 PolarHBondContact O-N 3.32Å; E579-Q581 VanDerWaalsContact C-N 3.34Å; E579-Q581 PolarHBondContact O-N 3.27Å; E579-A582 PolarHBondContact O-N 3.33Å; E579-F583 WeakPolarHBondContact O-CD2 3.36Å; E579-F583 PolarHBondContact O-N 3.42Å |
| 580 | V | 68 | Low | 74.4 | Confident | 78 Ų | 78 | 99.8 Ų | 99.8 | 47% | 0.473 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 176.9 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | L576 Q577 A582 F583 E584 | L576-V580 WeakPolarHBondContact O-CG2 3.49Å; L576-V580 PolarHBondContact O-N 3.31Å; Q577-V580 PolarHBondContact O-N 2.72Å; V580-A582 PolarHBondContact O-N 3.08Å; V580-F583 WeakPolarHBondContact O-CB 3.39Å; V580-F583 PolarHBondContact O-N 2.88Å; V580-E584 HydrophobicContact CG1-CG 4.46Å; V580-E584 WeakPolarHBondContact O-CG 3.32Å; V580-E584 PolarHBondContact O-N 3.34Å |
| 581 | Q | 74.3 | Confident | 74.2 | Confident | 104 Ų | 104 | 98.5 Ų | 98.5 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 177.9 | -174.8 | -178.7 | -9.4 | 0 | 0 | 112 | Q577 E579 F583 E584 E585 | Q577-Q581 PolarHBondContact O-N 3.07Å; E579-Q581 VanDerWaalsContact C-N 3.34Å; E579-Q581 PolarHBondContact O-N 3.27Å; Q581-F583 VanDerWaalsContact C-N 3.26Å; Q581-F583 PolarHBondContact O-N 3.33Å; Q581-E584 PolarHBondContact O-N 2.95Å; Q581-E584 VanDerWaalsContact O-N 3.16Å; Q581-E585 PolarHBondContact NE2-OE1 3.14Å; Q581-E585 WeakPolarHBondContact O-CG 3.22Å; Q581-E585 PolarHBondContact O-N 3.09Å |
| 582 | A | 75.3 | Confident | 73.9 | Confident | 57 Ų | 57 | 100.1 Ų | 100.1 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | S578 E579 V580 E586 | S578-A582 WeakPolarHBondContact O-CB 3.4Å; S578-A582 PolarHBondContact O-N 3.32Å; S578-A582 VanDerWaalsContact O-N 3.07Å; E579-A582 PolarHBondContact O-N 3.33Å; V580-A582 PolarHBondContact O-N 3.08Å; A582-E586 PolarHBondContact O-N 3.29Å; A582-E586 VanDerWaalsContact O-N 3.09Å |
| 583 | F | 65.4 | Low | 73.7 | Confident | 89 Ų | 89 | 104.6 Ų | 104.6 | 39% | 0.39 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 173.5 | -81.5 | -65 | 0 | 0 | 0 | 112.7 | E579 V580 Q581 E586 N587 W728 | E579-F583 WeakPolarHBondContact O-CD2 3.36Å; E579-F583 PolarHBondContact O-N 3.42Å; V580-F583 WeakPolarHBondContact O-CB 3.39Å; V580-F583 PolarHBondContact O-N 2.88Å; Q581-F583 VanDerWaalsContact C-N 3.26Å; Q581-F583 PolarHBondContact O-N 3.33Å; F583-E586 PolarHBondContact O-N 3.41Å; F583-N587 WeakPolarHBondContact O-CB 3.31Å; F583-N587 PolarHBondContact O-N 3.48Å; F583-W728 HydrophobicContact CE1-CH2 4.31Å; F583-W728 HydrophobicContact CE1-CZ2 4.15Å; F583-W728 HydrophobicContact CZ-CH2 4.38Å |
| 584 | E | 66.4 | Low | 73.7 | Confident | 120 Ų | 120 | 98 Ų | 98 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.1 | -46.4 | 176.9 | -73.7 | 176.5 | 163.7 | 0 | 0 | 111.3 | V580 Q581 E586 N587 E588 | V580-E584 HydrophobicContact CG1-CG 4.46Å; V580-E584 WeakPolarHBondContact O-CG 3.32Å; V580-E584 PolarHBondContact O-N 3.34Å; Q581-E584 PolarHBondContact O-N 2.95Å; Q581-E584 VanDerWaalsContact O-N 3.16Å; E584-E586 PolarHBondContact O-N 2.81Å; E584-N587 PolarHBondContact O-N 3.12Å; E584-E588 PolarHBondContact O-N 3.15Å |
| 585 | E | 74.7 | Confident | 73.6 | Confident | 110 Ų | 110 | 95 Ų | 95 | 51% | 0.514 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 175.8 | -70.6 | 177.5 | -167.6 | 0 | 0 | 111.7 | Q581 N587 E588 T589 | Q581-E585 PolarHBondContact NE2-OE1 3.14Å; Q581-E585 WeakPolarHBondContact O-CG 3.22Å; Q581-E585 PolarHBondContact O-N 3.09Å; E585-N587 PolarHBondContact O-N 3.18Å; E585-E588 PolarHBondContact O-N 3.28Å; E585-T589 WeakPolarHBondContact O-CG2 3.13Å; E585-T589 PolarHBondContact O-N 3.02Å; E585-T589 VanDerWaalsContact O-N 3.15Å |
| 586 | E | 72.9 | Confident | 73.4 | Confident | 103 Ų | 103 | 93.1 Ų | 93.1 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 174.9 | -174.7 | 173.4 | -164 | 0 | 0 | 111.3 | A582 F583 E584 E588 T589 L590 | A582-E586 PolarHBondContact O-N 3.29Å; A582-E586 VanDerWaalsContact O-N 3.09Å; F583-E586 PolarHBondContact O-N 3.41Å; E584-E586 PolarHBondContact O-N 2.81Å; E586-E588 VanDerWaalsContact C-N 3.34Å; E586-E588 PolarHBondContact O-N 3.48Å; E586-T589 PolarHBondContact O-N 2.95Å; E586-T589 VanDerWaalsContact O-N 3.09Å; E586-T589 PolarHBondContact O-OG1 2.84Å; E586-L590 HydrophobicContact CG-CD1 4.32Å; E586-L590 WeakPolarHBondContact O-CG 3.33Å; E586-L590 PolarHBondContact O-N 3.33Å |
| 587 | N | 69.3 | Low | 73.7 | Confident | 82 Ų | 82 | 90.2 Ų | 90.2 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | -178.6 | -158.8 | 30.8 | 0 | 0 | 0 | 112.2 | F583 E584 E585 L590 C591 | F583-N587 WeakPolarHBondContact O-CB 3.31Å; F583-N587 PolarHBondContact O-N 3.48Å; E584-N587 PolarHBondContact O-N 3.12Å; E585-N587 PolarHBondContact O-N 3.18Å; N587-L590 PolarHBondContact O-N 3.41Å; N587-C591 WeakPolarHBondContact O-CB 3.43Å; N587-C591 PolarHBondContact O-N 3.03Å; N587-C591 PolarHBondContact O-SG 3.32Å |
| 588 | E | 69.5 | Low | 74.1 | Confident | 143 Ų | 143 | 89.1 Ų | 89.1 | 67% | 0.668 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 170.8 | -74.5 | -173.1 | 174.5 | 0 | 0 | 111.9 | E584 E585 E586 L590 C591 K592 | E584-E588 PolarHBondContact O-N 3.15Å; E585-E588 PolarHBondContact O-N 3.28Å; E586-E588 VanDerWaalsContact C-N 3.34Å; E586-E588 PolarHBondContact O-N 3.48Å; E588-L590 VanDerWaalsContact C-N 3.32Å; E588-L590 PolarHBondContact O-N 3.08Å; E588-C591 PolarHBondContact O-N 3.12Å; E588-K592 PolarHBondContact O-N 3.3Å |
| 589 | T | 76.4 | Confident | 74.3 | Confident | 67 Ų | 67 | 90 Ų | 90 | 41% | 0.411 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 176.7 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | E585 E586 K592 R593 | E585-T589 WeakPolarHBondContact O-CG2 3.13Å; E585-T589 PolarHBondContact O-N 3.02Å; E585-T589 VanDerWaalsContact O-N 3.15Å; E586-T589 PolarHBondContact O-N 2.95Å; E586-T589 VanDerWaalsContact O-N 3.09Å; E586-T589 PolarHBondContact O-OG1 2.84Å; T589-K592 PolarHBondContact O-N 2.96Å; T589-R593 WeakPolarHBondContact O-CG 3.47Å; T589-R593 PolarHBondContact O-N 3.12Å |
| 590 | L | 74.2 | Confident | 75 | Confident | 41 Ų | 41 | 87.4 Ų | 87.4 | 22% | 0.215 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 175.5 | -66.5 | 173.2 | 0 | 0 | 0 | 111.3 | E586 N587 E588 K592 R593 A594 F717 | E586-L590 HydrophobicContact CG-CD1 4.32Å; E586-L590 WeakPolarHBondContact O-CG 3.33Å; E586-L590 PolarHBondContact O-N 3.33Å; N587-L590 PolarHBondContact O-N 3.41Å; E588-L590 VanDerWaalsContact C-N 3.32Å; E588-L590 PolarHBondContact O-N 3.08Å; L590-K592 VanDerWaalsContact C-N 3.3Å; L590-K592 PolarHBondContact O-N 2.99Å; L590-R593 PolarHBondContact O-N 3.11Å; L590-A594 PolarHBondContact O-N 3.5Å; L590-F717 HydrophobicContact CD2-CE2 4.42Å; L590-F717 HydrophobicContact CD2-CZ 3.99Å |
| 591 | C | 72.4 | Confident | 75.8 | Confident | 76 Ų | 76 | 84.9 Ų | 84.9 | 51% | 0.514 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 174.3 | -71.6 | 0 | 0 | 0 | 0 | 111.6 | N587 E588 A594 S595 | N587-C591 WeakPolarHBondContact O-CB 3.43Å; N587-C591 PolarHBondContact O-N 3.03Å; N587-C591 PolarHBondContact O-SG 3.32Å; E588-C591 PolarHBondContact O-N 3.12Å; C591-A594 PolarHBondContact O-N 3.28Å; C591-S595 PolarHBondContact O-N 3.39Å |
| 592 | K | 77.4 | Confident | 76.4 | Confident | 140 Ų | 140 | 87.4 Ų | 87.4 | 61% | 0.609 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.8 | -46.5 | 175.4 | -170.8 | 173.3 | -177.9 | 175.8 | 0 | 112.1 | E588 T589 L590 A594 S595 D596 | E588-K592 PolarHBondContact O-N 3.3Å; T589-K592 PolarHBondContact O-N 2.96Å; L590-K592 VanDerWaalsContact C-N 3.3Å; L590-K592 PolarHBondContact O-N 2.99Å; K592-A594 VanDerWaalsContact C-N 3.32Å; K592-A594 PolarHBondContact O-N 3.44Å; K592-S595 WeakPolarHBondContact O-CB 3.4Å; K592-S595 PolarHBondContact O-N 3.14Å; K592-D596 VanDerWaalsContact O-CG 3.3Å; K592-D596 PolarHBondContact O-N 3.49Å |
| 593 | R | 78.3 | Confident | 77.1 | Confident | 163 Ų | 163 | 89.7 Ų | 89.7 | 62% | 0.615 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.6 | -39.4 | 175.9 | -74.4 | -179.7 | -173.6 | 156 | 7.2 | 112.6 | T589 L590 D596 A597 | T589-R593 WeakPolarHBondContact O-CG 3.47Å; T589-R593 PolarHBondContact O-N 3.12Å; L590-R593 PolarHBondContact O-N 3.11Å; R593-D596 PolarHBondContact O-N 3.06Å; R593-A597 WeakPolarHBondContact O-CB 3.4Å; R593-A597 PolarHBondContact O-N 3.11Å |
| 594 | A | 74.9 | Confident | 78.3 | Confident | 36 Ų | 36 | 86.7 Ų | 86.7 | 30% | 0.298 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L590 C591 K592 A597 Q598 | L590-A594 PolarHBondContact O-N 3.5Å; C591-A594 PolarHBondContact O-N 3.28Å; K592-A594 VanDerWaalsContact C-N 3.32Å; K592-A594 PolarHBondContact O-N 3.44Å; A594-A597 PolarHBondContact O-N 3.11Å; A594-Q598 WeakPolarHBondContact O-CG 3.44Å; A594-Q598 PolarHBondContact O-N 3.36Å |
| 595 | S | 76.5 | Confident | 79.3 | Confident | 67 Ų | 67 | 84.4 Ų | 84.4 | 47% | 0.469 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 112 | C591 K592 A597 Q598 L599 | C591-S595 PolarHBondContact O-N 3.39Å; K592-S595 WeakPolarHBondContact O-CB 3.4Å; K592-S595 PolarHBondContact O-N 3.14Å; S595-A597 VanDerWaalsContact C-N 3.35Å; S595-A597 PolarHBondContact O-N 3.48Å; S595-Q598 PolarHBondContact O-N 3.01Å; S595-L599 WeakPolarHBondContact O-CB 3.37Å; S595-L599 PolarHBondContact O-N 3.45Å |
| 596 | D | 80.3 | Confident | 80 | Confident | 88 Ų | 88 | 82.3 Ų | 82.3 | 47% | 0.471 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 178.6 | -68.9 | -17.9 | 0 | 0 | 0 | 111.5 | K592 R593 L599 A600 | K592-D596 VanDerWaalsContact O-CG 3.3Å; K592-D596 PolarHBondContact O-N 3.49Å; R593-D596 PolarHBondContact O-N 3.06Å; D596-L599 PolarHBondContact O-N 2.94Å; D596-A600 WeakPolarHBondContact O-CB 3.39Å; D596-A600 PolarHBondContact O-N 3.46Å |
| 597 | A | 79.1 | Confident | 80.9 | Confident | 34 Ų | 34 | 80 Ų | 80 | 28% | 0.281 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R593 A594 S595 L599 A600 I601 | R593-A597 WeakPolarHBondContact O-CB 3.4Å; R593-A597 PolarHBondContact O-N 3.11Å; A594-A597 PolarHBondContact O-N 3.11Å; S595-A597 VanDerWaalsContact C-N 3.35Å; S595-A597 PolarHBondContact O-N 3.48Å; A597-L599 VanDerWaalsContact C-N 3.34Å; A597-A600 PolarHBondContact O-N 3.01Å; A597-I601 WeakPolarHBondContact O-CG1 3.47Å; A597-I601 PolarHBondContact O-N 3.39Å |
| 598 | Q | 80.1 | Confident | 81.9 | Confident | 109 Ų | 109 | 78.1 Ų | 78.1 | 51% | 0.509 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 174.8 | -73.6 | 178.4 | 15.3 | 0 | 0 | 112.1 | A594 S595 I601 R602 | A594-Q598 WeakPolarHBondContact O-CG 3.44Å; A594-Q598 PolarHBondContact O-N 3.36Å; S595-Q598 PolarHBondContact O-N 3.01Å; Q598-I601 PolarHBondContact O-N 3.38Å; Q598-R602 WeakPolarHBondContact O-CG 3.5Å; Q598-R602 PolarHBondContact O-N 3Å; Q598-R602 VanDerWaalsContact O-N 3.11Å |
| 599 | L | 85.1 | Confident | 82.8 | Confident | 92 Ų | 92 | 74.9 Ų | 74.9 | 48% | 0.482 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 175.8 | -172.9 | 149.1 | 0 | 0 | 0 | 111 | S595 D596 A597 I601 R602 L603 | S595-L599 WeakPolarHBondContact O-CB 3.37Å; S595-L599 PolarHBondContact O-N 3.45Å; D596-L599 PolarHBondContact O-N 2.94Å; A597-L599 VanDerWaalsContact C-N 3.34Å; L599-I601 VanDerWaalsContact C-N 3.34Å; L599-I601 PolarHBondContact O-N 3.04Å; L599-R602 PolarHBondContact O-N 3.23Å; L599-L603 HydrophobicContact CD2-CD1 3.52Å; L599-L603 HydrophobicContact CD2-CG 4.03Å; L599-L603 WeakPolarHBondContact O-CG 3.42Å; L599-L603 PolarHBondContact O-N 3.18Å |
| 600 | A | 84.8 | Confident | 83.5 | Confident | 37 Ų | 37 | 78.4 Ų | 78.4 | 31% | 0.306 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D596 A597 L603 L604 | D596-A600 WeakPolarHBondContact O-CB 3.39Å; D596-A600 PolarHBondContact O-N 3.46Å; A597-A600 PolarHBondContact O-N 3.01Å; A600-L603 PolarHBondContact O-N 3.43Å; A600-L604 WeakPolarHBondContact O-CB 3.49Å; A600-L604 WeakPolarHBondContact O-CG 3.45Å; A600-L604 PolarHBondContact O-N 3.02Å |
| 601 | I | 85.3 | Confident | 84.4 | Confident | 25 Ų | 25 | 77.1 Ų | 77.1 | 13% | 0.128 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 174.5 | -68.9 | 168.6 | 0 | 0 | 0 | 110.5 | A597 Q598 L599 L603 L604 E605 L707 V710 A714 | A597-I601 WeakPolarHBondContact O-CG1 3.47Å; A597-I601 PolarHBondContact O-N 3.39Å; Q598-I601 PolarHBondContact O-N 3.38Å; L599-I601 VanDerWaalsContact C-N 3.34Å; L599-I601 PolarHBondContact O-N 3.04Å; I601-L603 VanDerWaalsContact C-N 3.35Å; I601-L603 PolarHBondContact O-N 3.28Å; I601-L604 PolarHBondContact O-N 3.37Å; I601-E605 HydrophobicContact CG2-CG 4.33Å; I601-E605 WeakPolarHBondContact CG2-OE1 3.37Å; I601-E605 WeakPolarHBondContact O-CB 3.49Å; I601-E605 VanDerWaalsContact O-CG 3.31Å; I601-E605 WeakPolarHBondContact O-CG 3.32Å; I601-E605 PolarHBondContact O-N 2.72Å; I601-L707 HydrophobicContact CG2-CD1 4.2Å; I601-V710 HydrophobicContact CD1-CG1 4.25Å; I601-V710 HydrophobicContact CG1-CG1 3.64Å; I601-A714 HydrophobicContact CD1-CB 4Å |
| 602 | R | 87.3 | Confident | 85.3 | Confident | 156 Ų | 156 | 77.4 Ų | 77.4 | 59% | 0.589 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 180 | -67.9 | 178.6 | -156.2 | 161.6 | 7.5 | 112.4 | Q598 L599 E605 S606 | Q598-R602 WeakPolarHBondContact O-CG 3.5Å; Q598-R602 PolarHBondContact O-N 3Å; Q598-R602 VanDerWaalsContact O-N 3.11Å; L599-R602 PolarHBondContact O-N 3.23Å; R602-E605 PolarHBondContact O-N 2.93Å; R602-S606 PolarHBondContact O-N 2.92Å |
| 603 | L | 89.6 | Confident | 85.9 | Confident | 105 Ų | 105 | 74.7 Ų | 74.7 | 55% | 0.55 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 177.2 | -70.2 | -179.7 | 0 | 0 | 0 | 111.4 | L599 A600 I601 E605 S606 E607 | L599-L603 HydrophobicContact CD2-CD1 3.52Å; L599-L603 HydrophobicContact CD2-CG 4.03Å; L599-L603 WeakPolarHBondContact O-CG 3.42Å; L599-L603 PolarHBondContact O-N 3.18Å; A600-L603 PolarHBondContact O-N 3.43Å; I601-L603 VanDerWaalsContact C-N 3.35Å; I601-L603 PolarHBondContact O-N 3.28Å; L603-E605 VanDerWaalsContact C-N 3.33Å; L603-E605 PolarHBondContact O-N 2.79Å; L603-S606 PolarHBondContact O-N 3.4Å; L603-S606 PolarHBondContact O-OG 3.3Å; L603-E607 PolarHBondContact O-N 3.36Å |
| 604 | L | 89.5 | Confident | 86.5 | Confident | 27 Ų | 27 | 69.7 Ų | 69.7 | 14% | 0.141 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 176.8 | -72.6 | 170.6 | 0 | 0 | 0 | 112.4 | A600 I601 E607 H608 V703 N706 L707 V710 | A600-L604 WeakPolarHBondContact O-CB 3.49Å; A600-L604 WeakPolarHBondContact O-CG 3.45Å; A600-L604 PolarHBondContact O-N 3.02Å; I601-L604 PolarHBondContact O-N 3.37Å; L604-E607 PolarHBondContact O-N 3.4Å; L604-H608 VanDerWaalsContact O-CB 3.22Å; L604-H608 WeakPolarHBondContact O-CB 3.35Å; L604-H608 PolarHBondContact O-N 3.49Å; L604-V703 HydrophobicContact CD2-CG1 4.26Å; L604-N706 HydrophobicContact CD1-CB 4.29Å; L604-N706 HydrophobicContact CD2-CB 4.37Å; L604-L707 HydrophobicContact CB-CD1 3.87Å; L604-V710 HydrophobicContact CD1-CG2 4.19Å |
| 605 | E | 88.6 | Confident | 87.3 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 33% | 0.332 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 174.3 | -74.4 | 174.4 | 169.4 | 0 | 0 | 112.3 | I601 R602 L603 S609 L707 R711 | I601-E605 HydrophobicContact CG2-CG 4.33Å; I601-E605 WeakPolarHBondContact CG2-OE1 3.37Å; I601-E605 WeakPolarHBondContact O-CB 3.49Å; I601-E605 VanDerWaalsContact O-CG 3.31Å; I601-E605 WeakPolarHBondContact O-CG 3.32Å; I601-E605 PolarHBondContact O-N 2.72Å; R602-E605 PolarHBondContact O-N 2.93Å; L603-E605 VanDerWaalsContact C-N 3.33Å; L603-E605 PolarHBondContact O-N 2.79Å; E605-S609 PolarHBondContact O-N 3.36Å; E605-S609 VanDerWaalsContact O-N 3.08Å; E605-S609 PolarHBondContact O-OG 3.48Å; E605-L707 HydrophobicContact CG-CD1 3.79Å; E605-L707 HydrophobicContact CG-CD2 4.06Å; E605-R711 IonicContact OE1-CZ 2.74Å; E605-R711 IonicContact OE1-NH2 3.61Å; E605-R711 PolarHBondContact OE1-NH2 2.91Å |
| 606 | S | 89.4 | Confident | 87.9 | Confident | 66 Ų | 66 | 68.3 Ų | 68.3 | 46% | 0.462 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 174.2 | 75.8 | 0 | 0 | 0 | 0 | 111.8 | R602 L603 H608 S609 E610 | R602-S606 PolarHBondContact O-N 2.92Å; L603-S606 PolarHBondContact O-N 3.4Å; L603-S606 PolarHBondContact O-OG 3.3Å; S606-H608 PolarHBondContact O-N 3.33Å; S606-S609 PolarHBondContact O-N 3.03Å; S606-E610 PolarHBondContact O-N 3.16Å |
| 607 | E | 91.3 | Very high | 88.5 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 26% | 0.262 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 177.6 | -175.4 | 174.4 | -158.3 | 0 | 0 | 111.4 | L603 L604 S609 E610 L611 K699 V703 | L603-E607 PolarHBondContact O-N 3.36Å; L604-E607 PolarHBondContact O-N 3.4Å; E607-S609 VanDerWaalsContact C-N 3.32Å; E607-S609 PolarHBondContact O-N 3.08Å; E607-E610 PolarHBondContact O-N 2.92Å; E607-L611 HydrophobicContact CG-CD1 4.04Å; E607-L611 HydrophobicContact CG-CG 4.45Å; E607-L611 WeakPolarHBondContact O-CB 3.49Å; E607-L611 VanDerWaalsContact O-CG 3.32Å; E607-L611 WeakPolarHBondContact O-CG 3.4Å; E607-L611 PolarHBondContact O-N 3.07Å; E607-K699 WeakPolarHBondContact OE1-CE 3.38Å; E607-K699 IonicContact OE1-NZ 3.14Å; E607-K699 PolarHBondContact OE1-NZ 3.4Å; E607-V703 HydrophobicContact CG-CG2 4.07Å |
| 608 | H | 89.1 | Confident | 89.1 | Confident | 42 Ų | 42 | 67 Ų | 67 | 19% | 0.194 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.9 | -44.1 | 173.1 | 175.8 | -91.7 | 0 | 0 | 0 | 111.8 | L604 S606 L612 L700 V703 M704 | L604-H608 VanDerWaalsContact O-CB 3.22Å; L604-H608 WeakPolarHBondContact O-CB 3.35Å; L604-H608 PolarHBondContact O-N 3.49Å; S606-H608 PolarHBondContact O-N 3.33Å; H608-L612 VanDerWaalsContact CE1-CD1 3.42Å; H608-L612 WeakPolarHBondContact CE1-CD1 3.47Å; H608-L612 WeakPolarHBondContact O-CG 3.34Å; H608-L612 PolarHBondContact O-N 3.04Å; H608-L612 VanDerWaalsContact O-N 3.13Å; H608-L700 VanDerWaalsContact CD2-CD1 3.43Å; H608-L700 WeakPolarHBondContact CD2-CD1 3.42Å; H608-V703 HydrophobicContact CB-CG1 4Å; H608-M704 VanDerWaalsContact CD2-CG 3.49Å; H608-M704 WeakPolarHBondContact CD2-CG 3.44Å |
| 609 | S | 89.5 | Confident | 89.5 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.2 | -40 | 179.6 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | E605 S606 E607 L612 S613 | E605-S609 PolarHBondContact O-N 3.36Å; E605-S609 VanDerWaalsContact O-N 3.08Å; E605-S609 PolarHBondContact O-OG 3.48Å; S606-S609 PolarHBondContact O-N 3.03Å; E607-S609 VanDerWaalsContact C-N 3.32Å; E607-S609 PolarHBondContact O-N 3.08Å; S609-L612 PolarHBondContact O-N 3.46Å; S609-S613 PolarHBondContact O-N 3.18Å; S609-S613 VanDerWaalsContact O-N 3.16Å |
| 610 | E | 91.7 | Very high | 89.6 | Confident | 141 Ų | 141 | 66.2 Ų | 66.2 | 66% | 0.659 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.5 | -44.5 | 176.4 | -172.2 | 177.3 | -170.6 | 0 | 0 | 111.8 | S606 E607 L612 S613 E614 | S606-E610 PolarHBondContact O-N 3.16Å; E607-E610 PolarHBondContact O-N 2.92Å; E610-L612 VanDerWaalsContact C-N 3.34Å; E610-L612 PolarHBondContact O-N 2.9Å; E610-S613 WeakPolarHBondContact O-CB 3.39Å; E610-S613 PolarHBondContact O-N 3.35Å; E610-S613 VanDerWaalsContact O-N 3.15Å; E610-E614 PolarHBondContact O-N 3.04Å |
| 611 | L | 92.1 | Very high | 89.7 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 177.7 | -73 | 170.5 | 0 | 0 | 0 | 112.6 | E607 S613 E614 I615 K699 L700 V703 | E607-L611 HydrophobicContact CG-CD1 4.04Å; E607-L611 HydrophobicContact CG-CG 4.45Å; E607-L611 WeakPolarHBondContact O-CB 3.49Å; E607-L611 VanDerWaalsContact O-CG 3.32Å; E607-L611 WeakPolarHBondContact O-CG 3.4Å; E607-L611 PolarHBondContact O-N 3.07Å; L611-S613 VanDerWaalsContact C-N 3.34Å; L611-E614 PolarHBondContact O-N 2.99Å; L611-I615 WeakPolarHBondContact O-CB 3.49Å; L611-I615 WeakPolarHBondContact O-CD1 3.39Å; L611-I615 VanDerWaalsContact O-CG1 3.25Å; L611-I615 WeakPolarHBondContact O-CG1 3.5Å; L611-I615 PolarHBondContact O-N 3.04Å; L611-K699 HydrophobicContact CD1-CB 4.3Å; L611-K699 HydrophobicContact CD1-CD 4.23Å; L611-K699 HydrophobicContact CD1-CG 3.91Å; L611-K699 HydrophobicContact CD2-CB 4.39Å; L611-K699 HydrophobicContact CD2-CD 3.97Å; L611-K699 HydrophobicContact CD2-CG 4.32Å; L611-L700 HydrophobicContact CB-CB 4.3Å; L611-L700 HydrophobicContact CB-CD1 4.01Å; L611-L700 HydrophobicContact CD1-CB 4.34Å; L611-V703 HydrophobicContact CD1-CB 4.45Å; L611-V703 HydrophobicContact CD1-CG2 3.89Å |
| 612 | L | 90.8 | Very high | 89.7 | Confident | 83 Ų | 83 | 67.1 Ų | 67.1 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 172.7 | -77.1 | 174.7 | 0 | 0 | 0 | 112 | H608 S609 E610 A616 L700 | H608-L612 VanDerWaalsContact CE1-CD1 3.42Å; H608-L612 WeakPolarHBondContact CE1-CD1 3.47Å; H608-L612 WeakPolarHBondContact O-CG 3.34Å; H608-L612 PolarHBondContact O-N 3.04Å; H608-L612 VanDerWaalsContact O-N 3.13Å; S609-L612 PolarHBondContact O-N 3.46Å; E610-L612 VanDerWaalsContact C-N 3.34Å; E610-L612 PolarHBondContact O-N 2.9Å; L612-A616 WeakPolarHBondContact O-CB 3.24Å; L612-A616 PolarHBondContact O-N 2.91Å; L612-L700 HydrophobicContact CD2-CD2 3.74Å; L612-L700 HydrophobicContact CG-CD1 4.34Å; L612-L700 HydrophobicContact CG-CD2 4.37Å |
| 613 | S | 90.2 | Very high | 89.5 | Confident | 83 Ų | 83 | 61.9 Ų | 61.9 | 58% | 0.58 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.3 | -41.6 | 176 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | S609 E610 L611 A616 R617 | S609-S613 PolarHBondContact O-N 3.18Å; S609-S613 VanDerWaalsContact O-N 3.16Å; E610-S613 WeakPolarHBondContact O-CB 3.39Å; E610-S613 PolarHBondContact O-N 3.35Å; E610-S613 VanDerWaalsContact O-N 3.15Å; L611-S613 VanDerWaalsContact C-N 3.34Å; S613-A616 PolarHBondContact O-N 3.31Å; S613-R617 PolarHBondContact O-N 3.12Å |
| 614 | E | 92.4 | Very high | 89.1 | Confident | 57 Ų | 57 | 60 Ų | 60 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 177.9 | 177.8 | 63 | 178.9 | 0 | 0 | 112 | E610 L611 A616 R617 L618 R692 | E610-E614 PolarHBondContact O-N 3.04Å; L611-E614 PolarHBondContact O-N 2.99Å; E614-A616 VanDerWaalsContact C-N 3.32Å; E614-A616 PolarHBondContact O-N 3.43Å; E614-R617 WeakPolarHBondContact O-CB 3.39Å; E614-R617 PolarHBondContact O-N 3.27Å; E614-R617 IonicContact OE1-CZ 3.66Å; E614-R617 IonicContact OE1-NE 3.87Å; E614-R617 IonicContact OE1-NH2 3.75Å; E614-R617 PolarHBondContact OE1-NH2 3.13Å; E614-R617 IonicContact OE2-CZ 3.5Å; E614-R617 IonicContact OE2-NE 2.85Å; E614-R617 PolarHBondContact OE2-NE 3.12Å; E614-R617 IonicContact OE2-NH2 2.64Å; E614-R617 PolarHBondContact OE2-NH2 3.16Å; E614-R617 VanDerWaalsContact OE2-NH2 3.1Å; E614-L618 HydrophobicContact CG-CD1 4.07Å; E614-L618 HydrophobicContact CG-CG 4.48Å; E614-L618 WeakPolarHBondContact O-CB 3.44Å; E614-L618 WeakPolarHBondContact O-CG 3.32Å; E614-L618 PolarHBondContact O-N 3.17Å; E614-R692 IonicContact OE1-NH2 2.82Å |
| 615 | I | 90.9 | Very high | 88.6 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 174.6 | -72.8 | 163.1 | 0 | 0 | 0 | 110.6 | L611 R617 L618 R619 L693 S696 E697 L700 | L611-I615 WeakPolarHBondContact O-CB 3.49Å; L611-I615 WeakPolarHBondContact O-CD1 3.39Å; L611-I615 VanDerWaalsContact O-CG1 3.25Å; L611-I615 WeakPolarHBondContact O-CG1 3.5Å; L611-I615 PolarHBondContact O-N 3.04Å; I615-R617 VanDerWaalsContact C-N 3.34Å; I615-R617 PolarHBondContact O-N 2.97Å; I615-L618 PolarHBondContact O-N 3.38Å; I615-R619 HydrophobicContact CG2-CG 4.42Å; I615-R619 WeakPolarHBondContact O-CB 3.31Å; I615-R619 VanDerWaalsContact O-CG 3.26Å; I615-R619 WeakPolarHBondContact O-CG 3.32Å; I615-R619 PolarHBondContact O-N 2.91Å; I615-L693 HydrophobicContact CG1-CD1 4.49Å; I615-L693 HydrophobicContact CG2-CD1 4.07Å; I615-S696 VanDerWaalsContact CG1-OG 3.24Å; I615-S696 WeakPolarHBondContact CG1-OG 3.36Å; I615-E697 HydrophobicContact CD1-CG 3.97Å; I615-E697 HydrophobicContact CG1-CG 4.17Å; I615-L700 HydrophobicContact CD1-CB 4Å; I615-L700 HydrophobicContact CD1-CD2 3.62Å; I615-L700 HydrophobicContact CD1-CG 4.41Å |
| 616 | A | 89.7 | Confident | 88.2 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 53% | 0.529 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L612 S613 E614 G620 | L612-A616 WeakPolarHBondContact O-CB 3.24Å; L612-A616 PolarHBondContact O-N 2.91Å; S613-A616 PolarHBondContact O-N 3.31Å; E614-A616 VanDerWaalsContact C-N 3.32Å; E614-A616 PolarHBondContact O-N 3.43Å; A616-G620 PolarHBondContact O-N 2.73Å |
| 617 | R | 92 | Very high | 87.7 | Confident | 92 Ų | 92 | 66 Ų | 66 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.8 | -52 | 175.7 | -172.1 | -172.8 | 69.2 | 75.9 | 9.1 | 111.8 | S613 E614 I615 R619 G620 E621 | S613-R617 PolarHBondContact O-N 3.12Å; E614-R617 WeakPolarHBondContact O-CB 3.39Å; E614-R617 PolarHBondContact O-N 3.27Å; E614-R617 IonicContact OE1-CZ 3.66Å; E614-R617 IonicContact OE1-NE 3.87Å; E614-R617 IonicContact OE1-NH2 3.75Å; E614-R617 PolarHBondContact OE1-NH2 3.13Å; E614-R617 IonicContact OE2-CZ 3.5Å; E614-R617 IonicContact OE2-NE 2.85Å; E614-R617 PolarHBondContact OE2-NE 3.12Å; E614-R617 IonicContact OE2-NH2 2.64Å; E614-R617 PolarHBondContact OE2-NH2 3.16Å; E614-R617 VanDerWaalsContact OE2-NH2 3.1Å; I615-R617 VanDerWaalsContact C-N 3.34Å; I615-R617 PolarHBondContact O-N 2.97Å; R617-R619 VanDerWaalsContact C-N 3.33Å; R617-R619 PolarHBondContact O-N 3.14Å; R617-G620 WeakPolarHBondContact O-CA 3.23Å; R617-G620 PolarHBondContact O-N 3Å; R617-G620 VanDerWaalsContact O-N 3.09Å; R617-E621 IonicContact CZ-OE1 3.81Å; R617-E621 IonicContact CZ-OE2 3.21Å; R617-E621 IonicContact NH1-OE1 3.91Å; R617-E621 PolarHBondContact NH1-OE1 3.3Å; R617-E621 IonicContact NH1-OE2 2.81Å; R617-E621 PolarHBondContact NH1-OE2 2.84Å; R617-E621 PolarHBondContact O-N 2.83Å |
| 618 | L | 90.7 | Very high | 87.2 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | -179.7 | -71.5 | 172.9 | 0 | 0 | 0 | 112.2 | E614 I615 G620 E621 L622 L689 R692 L693 | E614-L618 HydrophobicContact CG-CD1 4.07Å; E614-L618 HydrophobicContact CG-CG 4.48Å; E614-L618 WeakPolarHBondContact O-CB 3.44Å; E614-L618 WeakPolarHBondContact O-CG 3.32Å; E614-L618 PolarHBondContact O-N 3.17Å; I615-L618 PolarHBondContact O-N 3.38Å; L618-G620 VanDerWaalsContact C-N 3.34Å; L618-E621 PolarHBondContact O-N 3.27Å; L618-L622 WeakPolarHBondContact O-CB 3.37Å; L618-L622 PolarHBondContact O-N 3.46Å; L618-L689 HydrophobicContact CD2-CD2 4.1Å; L618-R692 HydrophobicContact CD1-CB 4.31Å; L618-R692 HydrophobicContact CD2-CB 4.47Å; L618-L693 HydrophobicContact CB-CB 4.46Å; L618-L693 HydrophobicContact CB-CD1 3.95Å; L618-L693 HydrophobicContact CD1-CB 4.43Å; L618-L693 HydrophobicContact CD1-CD1 4.48Å |
| 619 | R | 89.6 | Confident | 86.6 | Confident | 142 Ų | 142 | 69.8 Ų | 69.8 | 54% | 0.536 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 173.3 | -74.9 | 176.7 | 176.8 | -178.1 | 0.7 | 112.1 | I615 R617 A623 L693 E697 | I615-R619 HydrophobicContact CG2-CG 4.42Å; I615-R619 WeakPolarHBondContact O-CB 3.31Å; I615-R619 VanDerWaalsContact O-CG 3.26Å; I615-R619 WeakPolarHBondContact O-CG 3.32Å; I615-R619 PolarHBondContact O-N 2.91Å; R617-R619 VanDerWaalsContact C-N 3.33Å; R617-R619 PolarHBondContact O-N 3.14Å; R619-A623 WeakPolarHBondContact O-CB 3.04Å; R619-A623 PolarHBondContact O-N 2.72Å; R619-L693 HydrophobicContact CG-CD1 3.96Å; R619-L693 HydrophobicContact CG-CD2 4.2Å; R619-E697 IonicContact CZ-OE1 3.97Å; R619-E697 IonicContact NE-OE1 3.35Å; R619-E697 IonicContact NH2-OE1 3.54Å; R619-E697 PolarHBondContact NH2-OE1 3.16Å |
| 620 | G | 86.4 | Confident | 85.9 | Confident | 44 Ų | 44 | 71.6 Ų | 71.6 | 45% | 0.454 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A616 R617 L618 A623 S624 | A616-G620 PolarHBondContact O-N 2.73Å; R617-G620 WeakPolarHBondContact O-CA 3.23Å; R617-G620 PolarHBondContact O-N 3Å; R617-G620 VanDerWaalsContact O-N 3.09Å; L618-G620 VanDerWaalsContact C-N 3.34Å; G620-A623 WeakPolarHBondContact O-CB 3.47Å; G620-A623 PolarHBondContact O-N 2.85Å; G620-S624 PolarHBondContact O-N 3.34Å |
| 621 | E | 87.8 | Confident | 85.2 | Confident | 67 Ų | 67 | 73 Ų | 73 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 176.8 | -73.4 | 177.7 | 177.1 | 0 | 0 | 111.8 | R617 L618 A623 S624 H625 | R617-E621 IonicContact CZ-OE1 3.81Å; R617-E621 IonicContact CZ-OE2 3.21Å; R617-E621 IonicContact NH1-OE1 3.91Å; R617-E621 PolarHBondContact NH1-OE1 3.3Å; R617-E621 IonicContact NH1-OE2 2.81Å; R617-E621 PolarHBondContact NH1-OE2 2.84Å; R617-E621 PolarHBondContact O-N 2.83Å; L618-E621 PolarHBondContact O-N 3.27Å; E621-A623 VanDerWaalsContact C-N 3.31Å; E621-A623 PolarHBondContact O-N 3.07Å; E621-S624 PolarHBondContact O-N 2.67Å; E621-S624 VanDerWaalsContact O-N 3.14Å; E621-S624 PolarHBondContact O-OG 2.72Å; E621-H625 PolarHBondContact O-N 3.16Å |
| 622 | L | 84.7 | Confident | 84.4 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 7% | 0.068 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 176.5 | -165.9 | 71.5 | 0 | 0 | 0 | 112.1 | L618 R626 D686 L689 R690 L693 | L618-L622 WeakPolarHBondContact O-CB 3.37Å; L618-L622 PolarHBondContact O-N 3.46Å; L622-R626 VanDerWaalsContact O-CG 3.28Å; L622-R626 WeakPolarHBondContact O-CG 3.25Å; L622-R626 PolarHBondContact O-N 3.31Å; L622-R626 VanDerWaalsContact O-N 3.13Å; L622-D686 WeakPolarHBondContact CD1-OD1 3.4Å; L622-L689 HydrophobicContact CD1-CB 4.29Å; L622-R690 HydrophobicContact CD1-CG 4.04Å; L622-R690 HydrophobicContact CD2-CG 4.44Å; L622-L693 HydrophobicContact CD2-CD2 4.43Å |
| 623 | A | 83.3 | Confident | 83.5 | Confident | 46 Ų | 46 | 72.9 Ų | 72.9 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R619 G620 E621 H625 R626 E627 | R619-A623 WeakPolarHBondContact O-CB 3.04Å; R619-A623 PolarHBondContact O-N 2.72Å; G620-A623 WeakPolarHBondContact O-CB 3.47Å; G620-A623 PolarHBondContact O-N 2.85Å; E621-A623 VanDerWaalsContact C-N 3.31Å; E621-A623 PolarHBondContact O-N 3.07Å; A623-H625 PolarHBondContact O-N 3.39Å; A623-R626 PolarHBondContact O-N 3.4Å; A623-E627 WeakPolarHBondContact O-CG 3.47Å; A623-E627 PolarHBondContact O-N 2.78Å |
| 624 | S | 80.6 | Confident | 82.7 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 46% | 0.462 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 178 | 75.6 | 0 | 0 | 0 | 0 | 113.3 | G620 E621 E627 Y628 | G620-S624 PolarHBondContact O-N 3.34Å; E621-S624 PolarHBondContact O-N 2.67Å; E621-S624 VanDerWaalsContact O-N 3.14Å; E621-S624 PolarHBondContact O-OG 2.72Å; S624-E627 PolarHBondContact O-N 2.8Å; S624-Y628 PolarHBondContact O-N 2.63Å |
| 625 | H | 80.5 | Confident | 81.7 | Confident | 34 Ų | 34 | 76.2 Ų | 76.2 | 16% | 0.157 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 176.1 | -160.8 | -73.5 | 0 | 0 | 0 | 111 | E621 A623 Y628 D629 S685 | E621-H625 PolarHBondContact O-N 3.16Å; A623-H625 PolarHBondContact O-N 3.39Å; H625-Y628 PolarHBondContact O-N 3.48Å; H625-D629 IonicContact CE1-OD1 3.45Å; H625-D629 IonicContact CE1-OD2 3.77Å; H625-D629 PolarHBondContact CE1-OD2 2.86Å; H625-D629 IonicContact ND1-OD1 3.27Å; H625-D629 IonicContact ND1-OD2 2.76Å; H625-D629 PolarHBondContact ND1-OD2 3.49Å; H625-D629 PolarHBondContact O-N 2.88Å; H625-S685 PolarHBondContact NE2-OG 3.45Å |
| 626 | R | 79.5 | Confident | 80.9 | Confident | 119 Ų | 119 | 80 Ų | 80 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 174.3 | -71.6 | 172.7 | -174.7 | 179.3 | 2.9 | 112.5 | L622 A623 Y628 N630 | L622-R626 VanDerWaalsContact O-CG 3.28Å; L622-R626 WeakPolarHBondContact O-CG 3.25Å; L622-R626 PolarHBondContact O-N 3.31Å; L622-R626 VanDerWaalsContact O-N 3.13Å; A623-R626 PolarHBondContact O-N 3.4Å; R626-Y628 VanDerWaalsContact C-N 3.33Å; R626-N630 VanDerWaalsContact O-CB 3.26Å; R626-N630 WeakPolarHBondContact O-CB 3.42Å; R626-N630 PolarHBondContact O-N 2.88Å; R626-N630 PolarHBondContact O-ND2 2.84Å |
| 627 | E | 79.8 | Confident | 80 | Confident | 137 Ų | 137 | 80.8 Ų | 80.8 | 64% | 0.64 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 175.2 | -74.8 | 179.4 | -176.4 | 0 | 0 | 111.7 | A623 S624 R631 | A623-E627 WeakPolarHBondContact O-CG 3.47Å; A623-E627 PolarHBondContact O-N 2.78Å; S624-E627 PolarHBondContact O-N 2.8Å; E627-R631 WeakPolarHBondContact O-CB 3.22Å; E627-R631 PolarHBondContact O-N 3.41Å |
| 628 | Y | 78.9 | Confident | 78.9 | Confident | 125 Ų | 125 | 81.1 Ų | 81.1 | 49% | 0.49 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.1 | -50.7 | 175.4 | -178.8 | -93.7 | 0 | 0 | 0 | 112 | S624 H625 R626 N630 R631 T632 | S624-Y628 PolarHBondContact O-N 2.63Å; H625-Y628 PolarHBondContact O-N 3.48Å; R626-Y628 VanDerWaalsContact C-N 3.33Å; Y628-N630 VanDerWaalsContact C-N 3.34Å; Y628-N630 PolarHBondContact O-N 3.33Å; Y628-R631 PolarHBondContact O-N 2.8Å; Y628-T632 HydrophobicContact CD1-CG2 4.41Å; Y628-T632 HydrophobicContact CE1-CG2 3.86Å; Y628-T632 HydrophobicContact CE2-CG2 4.49Å; Y628-T632 PolarHBondContact O-N 2.68Å; Y628-T632 PolarHBondContact O-OG1 2.75Å; Y628-T632 VanDerWaalsContact O-OG1 3.08Å |
| 629 | D | 77.1 | Confident | 77.8 | Confident | 52 Ų | 52 | 85.2 Ų | 85.2 | 28% | 0.278 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 179 | -71.8 | -29.1 | 0 | 0 | 0 | 112.3 | H625 R631 T632 A633 | H625-D629 IonicContact CE1-OD1 3.45Å; H625-D629 IonicContact CE1-OD2 3.77Å; H625-D629 PolarHBondContact CE1-OD2 2.86Å; H625-D629 IonicContact ND1-OD1 3.27Å; H625-D629 IonicContact ND1-OD2 2.76Å; H625-D629 PolarHBondContact ND1-OD2 3.49Å; H625-D629 PolarHBondContact O-N 2.88Å; D629-R631 VanDerWaalsContact C-N 3.31Å; D629-R631 PolarHBondContact O-N 2.77Å; D629-T632 VanDerWaalsContact CA-OG1 3.31Å; D629-T632 WeakPolarHBondContact CA-OG1 3.22Å; D629-T632 PolarHBondContact O-OG1 3.29Å; D629-A633 VanDerWaalsContact O-CB 3.23Å; D629-A633 WeakPolarHBondContact O-CB 3.45Å; D629-A633 PolarHBondContact O-N 3.48Å |
| 630 | N | 75.4 | Confident | 76.6 | Confident | 113 Ų | 113 | 83.8 Ų | 83.8 | 60% | 0.604 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.6 | -39.2 | 173.4 | -75.6 | -22.8 | 0 | 0 | 0 | 111.1 | R626 Y628 L634 | R626-N630 VanDerWaalsContact O-CB 3.26Å; R626-N630 WeakPolarHBondContact O-CB 3.42Å; R626-N630 PolarHBondContact O-N 2.88Å; R626-N630 PolarHBondContact O-ND2 2.84Å; Y628-N630 VanDerWaalsContact C-N 3.34Å; Y628-N630 PolarHBondContact O-N 3.33Å; N630-L634 WeakPolarHBondContact O-CB 3.45Å; N630-L634 PolarHBondContact O-N 3.45Å |
| 631 | R | 76.2 | Confident | 75.5 | Confident | 171 Ų | 171 | 86.3 Ų | 86.3 | 65% | 0.645 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -71.8 | -38.8 | -179.4 | -162.1 | 165 | 78.7 | -159.2 | 6.6 | 112.2 | E627 Y628 D629 N635 | E627-R631 WeakPolarHBondContact O-CB 3.22Å; E627-R631 PolarHBondContact O-N 3.41Å; Y628-R631 PolarHBondContact O-N 2.8Å; D629-R631 VanDerWaalsContact C-N 3.31Å; D629-R631 PolarHBondContact O-N 2.77Å; R631-N635 VanDerWaalsContact O-CG 3.25Å; R631-N635 PolarHBondContact O-N 3.48Å; R631-N635 PolarHBondContact O-ND2 3.24Å |
| 632 | T | 75.5 | Confident | 74.2 | Confident | 43 Ų | 43 | 87.6 Ų | 87.6 | 26% | 0.264 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 172 | 41.4 | 0 | 0 | 0 | 0 | 111.5 | Y628 D629 L634 N635 D636 | Y628-T632 HydrophobicContact CD1-CG2 4.41Å; Y628-T632 HydrophobicContact CE1-CG2 3.86Å; Y628-T632 HydrophobicContact CE2-CG2 4.49Å; Y628-T632 PolarHBondContact O-N 2.68Å; Y628-T632 PolarHBondContact O-OG1 2.75Å; Y628-T632 VanDerWaalsContact O-OG1 3.08Å; D629-T632 VanDerWaalsContact CA-OG1 3.31Å; D629-T632 WeakPolarHBondContact CA-OG1 3.22Å; D629-T632 PolarHBondContact O-OG1 3.29Å; T632-L634 VanDerWaalsContact C-N 3.27Å; T632-L634 PolarHBondContact O-N 3.35Å; T632-N635 WeakPolarHBondContact O-CB 3.37Å; T632-N635 PolarHBondContact O-N 2.93Å; T632-N635 VanDerWaalsContact O-N 3.13Å; T632-D636 PolarHBondContact O-N 3.37Å |
| 633 | A | 73 | Confident | 73 | Confident | 51 Ų | 51 | 94 Ų | 94 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D629 D636 V637 | D629-A633 VanDerWaalsContact O-CB 3.23Å; D629-A633 WeakPolarHBondContact O-CB 3.45Å; D629-A633 PolarHBondContact O-N 3.48Å; A633-D636 PolarHBondContact O-N 2.95Å; A633-V637 VanDerWaalsContact O-CG2 3.28Å; A633-V637 WeakPolarHBondContact O-CG2 3.41Å; A633-V637 PolarHBondContact O-N 3.26Å |
| 634 | L | 71.8 | Confident | 71.4 | Confident | 124 Ų | 124 | 96.7 Ų | 96.7 | 65% | 0.649 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.5 | -36.9 | 177 | -159.2 | 138.7 | 0 | 0 | 0 | 112 | N630 T632 H638 | N630-L634 WeakPolarHBondContact O-CB 3.45Å; N630-L634 PolarHBondContact O-N 3.45Å; T632-L634 VanDerWaalsContact C-N 3.27Å; T632-L634 PolarHBondContact O-N 3.35Å; L634-H638 WeakPolarHBondContact O-CB 3.38Å; L634-H638 PolarHBondContact O-N 3.18Å |
| 635 | N | 73.4 | Confident | 70 | Confident | 86 Ų | 86 | 100.1 Ų | 100.1 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 171 | -73.3 | -14.2 | 0 | 0 | 0 | 112.1 | R631 T632 V637 H638 D639 | R631-N635 VanDerWaalsContact O-CG 3.25Å; R631-N635 PolarHBondContact O-N 3.48Å; R631-N635 PolarHBondContact O-ND2 3.24Å; T632-N635 WeakPolarHBondContact O-CB 3.37Å; T632-N635 PolarHBondContact O-N 2.93Å; T632-N635 VanDerWaalsContact O-N 3.13Å; N635-V637 PolarHBondContact O-N 3.36Å; N635-H638 CarbonylContact O-C 3.6Å; N635-H638 WeakPolarHBondContact O-CB 3.22Å; N635-H638 PolarHBondContact O-N 2.91Å; N635-H638 VanDerWaalsContact O-N 3.13Å; N635-D639 PolarHBondContact O-N 3.21Å |
| 636 | D | 73 | Confident | 68.5 | Low | 88 Ų | 88 | 103.6 Ų | 103.6 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 177.4 | -71 | -21.3 | 0 | 0 | 0 | 111.5 | T632 A633 H638 D639 L640 | T632-D636 PolarHBondContact O-N 3.37Å; A633-D636 PolarHBondContact O-N 2.95Å; D636-H638 VanDerWaalsContact C-N 3.33Å; D636-D639 PolarHBondContact O-N 2.92Å; D636-L640 WeakPolarHBondContact O-CB 3.45Å; D636-L640 VanDerWaalsContact O-CG 3.28Å; D636-L640 WeakPolarHBondContact O-CG 3.35Å; D636-L640 PolarHBondContact O-N 3.36Å |
| 637 | V | 70.5 | Confident | 66.9 | Low | 82 Ų | 82 | 108.6 Ų | 108.6 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 172.1 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | A633 N635 L640 L641 | A633-V637 VanDerWaalsContact O-CG2 3.28Å; A633-V637 WeakPolarHBondContact O-CG2 3.41Å; A633-V637 PolarHBondContact O-N 3.26Å; N635-V637 PolarHBondContact O-N 3.36Å; V637-L640 PolarHBondContact O-N 3.22Å; V637-L641 HydrophobicContact CG1-CD1 4.01Å; V637-L641 HydrophobicContact CG1-CG 4.4Å; V637-L641 WeakPolarHBondContact O-CB 3.3Å; V637-L641 VanDerWaalsContact O-CG 3.32Å; V637-L641 WeakPolarHBondContact O-CG 3.4Å; V637-L641 PolarHBondContact O-N 3.08Å |
| 638 | H | 68.5 | Low | 65.2 | Low | 99 Ų | 99 | 105.9 Ų | 105.9 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 176.6 | -168.2 | 43.1 | 0 | 0 | 0 | 112.1 | L634 N635 D636 L641 H642 | L634-H638 WeakPolarHBondContact O-CB 3.38Å; L634-H638 PolarHBondContact O-N 3.18Å; N635-H638 CarbonylContact O-C 3.6Å; N635-H638 WeakPolarHBondContact O-CB 3.22Å; N635-H638 PolarHBondContact O-N 2.91Å; N635-H638 VanDerWaalsContact O-N 3.13Å; D636-H638 VanDerWaalsContact C-N 3.33Å; H638-L641 PolarHBondContact O-N 2.94Å; H638-H642 AromaticContact CE1-CD2 3.47Å; H638-H642 PolarHBondContact CE1-CD2 3.31Å; H638-H642 VanDerWaalsContact CE1-CD2 3.47Å; H638-H642 AromaticContact CE1-NE2 3.18Å; H638-H642 PolarHBondContact CE1-NE2 3.12Å; H638-H642 AromaticContact ND1-CD2 3.81Å; H638-H642 AromaticContact ND1-NE2 3.95Å; H638-H642 AromaticContact NE2-CD2 3.66Å; H638-H642 AromaticContact NE2-NE2 3.4Å; H638-H642 PolarHBondContact NE2-NE2 3.47Å; H638-H642 PolarHBondContact O-CD2 3.31Å; H638-H642 PolarHBondContact O-N 2.93Å |
| 639 | D | 68.1 | Low | 63.3 | Low | 87 Ų | 87 | 108.4 Ų | 108.4 | 47% | 0.465 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.7 | -38.1 | 174.8 | -82 | -6.2 | 0 | 0 | 0 | 112.3 | N635 D636 K643 | N635-D639 PolarHBondContact O-N 3.21Å; D636-D639 PolarHBondContact O-N 2.92Å; D639-K643 WeakPolarHBondContact O-CB 3.44Å; D639-K643 VanDerWaalsContact O-CG 3.31Å; D639-K643 WeakPolarHBondContact O-CG 3.36Å; D639-K643 PolarHBondContact O-N 2.9Å |
| 640 | L | 64.9 | Low | 61.4 | Low | 113 Ų | 113 | 113.2 Ų | 113.2 | 59% | 0.592 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.8 | -40.2 | 174 | -74.9 | 171.9 | 0 | 0 | 0 | 111.9 | D636 V637 K643 N644 | D636-L640 WeakPolarHBondContact O-CB 3.45Å; D636-L640 VanDerWaalsContact O-CG 3.28Å; D636-L640 WeakPolarHBondContact O-CG 3.35Å; D636-L640 PolarHBondContact O-N 3.36Å; V637-L640 PolarHBondContact O-N 3.22Å; L640-K643 PolarHBondContact O-N 3.37Å; L640-N644 WeakPolarHBondContact O-CB 3.4Å; L640-N644 PolarHBondContact O-N 2.87Å |
| 641 | L | 63.8 | Low | 59.6 | Low | 96 Ų | 96 | 115.3 Ų | 115.3 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.2 | -44.9 | 174.1 | -76.3 | 170.4 | 0 | 0 | 0 | 111 | V637 H638 K643 N644 E645 | V637-L641 HydrophobicContact CG1-CD1 4.01Å; V637-L641 HydrophobicContact CG1-CG 4.4Å; V637-L641 WeakPolarHBondContact O-CB 3.3Å; V637-L641 VanDerWaalsContact O-CG 3.32Å; V637-L641 WeakPolarHBondContact O-CG 3.4Å; V637-L641 PolarHBondContact O-N 3.08Å; H638-L641 PolarHBondContact O-N 2.94Å; L641-K643 VanDerWaalsContact C-N 3.34Å; L641-K643 PolarHBondContact O-N 3.43Å; L641-N644 PolarHBondContact O-N 3.28Å; L641-N644 VanDerWaalsContact O-N 3.12Å; L641-E645 WeakPolarHBondContact O-CB 3.45Å; L641-E645 WeakPolarHBondContact O-CG 3.35Å; L641-E645 PolarHBondContact O-N 3.41Å |
| 642 | H | 59.7 | Low | 57.7 | Low | 95 Ų | 95 | 110.7 Ų | 110.7 | 44% | 0.44 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.2 | -36.9 | 175.2 | -89.3 | -57.5 | 0 | 0 | 0 | 113.2 | H638 N644 E645 S646 | H638-H642 AromaticContact CE1-CD2 3.47Å; H638-H642 PolarHBondContact CE1-CD2 3.31Å; H638-H642 VanDerWaalsContact CE1-CD2 3.47Å; H638-H642 AromaticContact CE1-NE2 3.18Å; H638-H642 PolarHBondContact CE1-NE2 3.12Å; H638-H642 AromaticContact ND1-CD2 3.81Å; H638-H642 AromaticContact ND1-NE2 3.95Å; H638-H642 AromaticContact NE2-CD2 3.66Å; H638-H642 AromaticContact NE2-NE2 3.4Å; H638-H642 PolarHBondContact NE2-NE2 3.47Å; H638-H642 PolarHBondContact O-CD2 3.31Å; H638-H642 PolarHBondContact O-N 2.93Å; H642-N644 VanDerWaalsContact C-N 3.33Å; H642-E645 IonicContact ND1-OE2 3.49Å; H642-S646 PolarHBondContact O-N 2.94Å; H642-S646 PolarHBondContact O-OG 3.48Å |
| 643 | K | 58.9 | Low | 55.6 | Low | 146 Ų | 146 | 115.1 Ų | 115.1 | 64% | 0.635 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.5 | -32.2 | 173.1 | -77.1 | 171 | -177 | 165 | 0 | 112.6 | D639 L640 L641 | D639-K643 WeakPolarHBondContact O-CB 3.44Å; D639-K643 VanDerWaalsContact O-CG 3.31Å; D639-K643 WeakPolarHBondContact O-CG 3.36Å; D639-K643 PolarHBondContact O-N 2.9Å; L640-K643 PolarHBondContact O-N 3.37Å; L641-K643 VanDerWaalsContact C-N 3.34Å; L641-K643 PolarHBondContact O-N 3.43Å |
| 644 | N | 50.9 | Low | 53.7 | Low | 104 Ų | 104 | 122.3 Ų | 122.3 | 56% | 0.556 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -84.7 | -33.1 | -179.2 | -149.5 | 27.4 | 0 | 0 | 0 | 112.7 | L640 L641 H642 S646 R647 S648 | L640-N644 WeakPolarHBondContact O-CB 3.4Å; L640-N644 PolarHBondContact O-N 2.87Å; L641-N644 PolarHBondContact O-N 3.28Å; L641-N644 VanDerWaalsContact O-N 3.12Å; H642-N644 VanDerWaalsContact C-N 3.33Å; N644-S646 PolarHBondContact O-N 3.3Å; N644-R647 PolarHBondContact O-N 2.95Å; N644-S648 PolarHBondContact O-N 3.16Å |
| 645 | E | 51.1 | Low | 51.7 | Low | 137 Ų | 137 | 123.7 Ų | 123.7 | 64% | 0.64 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63 | -28.7 | 172.3 | -80 | -174.9 | 158.8 | 0 | 0 | 112.1 | L641 H642 R647 | L641-E645 WeakPolarHBondContact O-CB 3.45Å; L641-E645 WeakPolarHBondContact O-CG 3.35Å; L641-E645 PolarHBondContact O-N 3.41Å; H642-E645 IonicContact ND1-OE2 3.49Å; E645-R647 PolarHBondContact O-N 2.85Å |
| 646 | S | 48.6 | Very low | 49.8 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -8.4 | 171.8 | -61.4 | 0 | 0 | 0 | 0 | 114 | H642 N644 | H642-S646 PolarHBondContact O-N 2.94Å; H642-S646 PolarHBondContact O-OG 3.48Å; N644-S646 PolarHBondContact O-N 3.3Å |
| 647 | R | 46.2 | Very low | 47.8 | Very low | 224 Ų | 224 | 131 Ų | 131 | 85% | 0.845 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | -7.6 | -175.5 | -82.2 | -172.8 | 173.6 | 179.9 | -0.4 | 116.3 | N644 E645 | N644-R647 PolarHBondContact O-N 2.95Å; E645-R647 PolarHBondContact O-N 2.85Å |
| 648 | S | 43.4 | Very low | 45.9 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 57% | 0.566 | 70% | 0.699 | S | S | * | * | trans | -137.6 | 57.8 | -173.4 | -135.1 | 0 | 0 | 0 | 0 | 113.4 | N644 E650 | N644-S648 PolarHBondContact O-N 3.16Å; S648-E650 PolarHBondContact O-N 3.03Å; S648-E650 VanDerWaalsContact O-N 3.13Å; S648-E650 PolarHBondContact OG-O 3.08Å | ||
| 649 | L | 39.3 | Very low | 44 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 93% | 0.927 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -78.9 | 48.2 | 154.1 | -140 | 110.2 | 0 | 0 | 0 | 109.7 | ||
| 650 | E | 37.3 | Very low | 42.1 | Very low | 153 Ų | 153 | 139 Ų | 139 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -159.3 | 125.2 | 171.9 | -110.1 | 173 | -167.7 | 0 | 0 | 107.9 | S648 | S648-E650 PolarHBondContact O-N 3.03Å; S648-E650 VanDerWaalsContact O-N 3.13Å; S648-E650 PolarHBondContact OG-O 3.08Å |
| 651 | N | 38 | Very low | 40.4 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | trans | 84.1 | 77.2 | 167.3 | -54.8 | -25 | 0 | 0 | 0 | 119.4 | ||||
| 652 | G | 35.3 | Very low | 38.6 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | 54.8 | 88.6 | 106.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 653 | V | 31.4 | Very low | 37.1 | Very low | 136 Ų | 136 | 141 Ų | 141 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | 26.2 | 104.6 | 134.7 | -171.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 654 | K | 34.2 | Very low | 35.6 | Very low | 202 Ų | 202 | 139 Ų | 139 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -146.2 | 115.5 | 140.9 | -71.5 | -165.8 | -179.7 | 173.1 | 0 | 111.4 | ||||
| 655 | N | 29.4 | Very low | 34.4 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -56.9 | 129.7 | 168.6 | -79 | -18.2 | 0 | 0 | 0 | 111.4 | ||||
| 656 | H | 33.1 | Very low | 33.2 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -137.9 | 112 | 155.2 | -105.3 | -67 | 0 | 0 | 0 | 110.6 | ||||
| 657 | N | 30 | Very low | 32.1 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -59.4 | 127.7 | 163.3 | -69.3 | -25.6 | 0 | 0 | 0 | 109.2 | ||||
| 658 | I | 32.3 | Very low | 31 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -121.1 | 107.4 | 166.9 | -64.8 | 177.5 | 0 | 0 | 0 | 107.7 | ||||
| 659 | S | 28.5 | Very low | 30.2 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | -89.3 | 135.2 | 167.7 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 660 | I | 28.4 | Very low | 29.7 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -12.7 | 128.6 | 151.2 | -64.4 | 153.7 | 0 | 0 | 0 | 115.9 | ||||
| 661 | S | 29 | Very low | 29.5 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -154.9 | 121.5 | 148.2 | -74 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 662 | S | 26.6 | Very low | 29 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -39.1 | 141.8 | 165.1 | 47.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 663 | S | 27.9 | Very low | 28.7 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -152.3 | 117.6 | 145.8 | -71.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 664 | S | 26 | Very low | 28.5 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -74.2 | 161.7 | 174.7 | -45.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 665 | S | 26.4 | Very low | 28.5 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 97.9 | 103.4 | 146.3 | -45.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 666 | S | 26.1 | Very low | 28.3 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | 83.6 | 113.1 | 122 | -52.3 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 667 | S | 25 | Very low | 28.2 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 65.2 | 108.8 | 134.3 | -57.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 668 | S | 24.3 | Very low | 28.6 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | 165.3 | 124.9 | 103.6 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 669 | T | 25.9 | Very low | 28.9 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | 5.2 | 139.8 | 145.2 | 50.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 670 | N | 28.3 | Very low | 29.4 | Very low | 147 Ų | 147 | 131 Ų | 131 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | 93.2 | 96.4 | 154.9 | -58.5 | -22.5 | 0 | 0 | 0 | 117.6 | ||||
| 671 | L | 33 | Very low | 30.2 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | -153.3 | 115.6 | 120.4 | -143.4 | 70.5 | 0 | 0 | 0 | 112.4 | |||||
| 672 | V | 28.5 | Very low | 31.3 | Very low | 117 Ų | 117 | 129 Ų | 129 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | trans | -69.3 | 123.5 | 162.8 | 161 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 673 | N | 28.9 | Very low | 32.4 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 163.9 | 113.9 | 130.1 | -87.4 | -31.9 | 0 | 0 | 0 | 112.7 | ||||
| 674 | G | 27.8 | Very low | 33.9 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | 70.6 | 87.8 | 131.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 675 | T | 32.8 | Very low | 36.1 | Very low | 147 Ų | 147 | 126 Ų | 126 | 90% | 0.902 | 73% | 0.73 | S | S | * | * | -154.1 | 114.9 | 127.1 | -11.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 676 | Q | 26.3 | Very low | 38.6 | Very low | 175 Ų | 175 | 122.4 Ų | 122.4 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -64.1 | 124.8 | 169.4 | -66.2 | 169.4 | -16 | 0 | 0 | 109.1 | ||||
| 677 | H | 29.9 | Very low | 41.2 | Very low | 171 Ų | 171 | 120.6 Ų | 120.6 | 79% | 0.792 | 69% | 0.69 | S | S | * | * | 176.5 | 105.1 | 129.8 | -95 | -58.8 | 0 | 0 | 0 | 111.2 | |||||
| 678 | S | 38.5 | Very low | 44.1 | Very low | 99 Ų | 99 | 119 Ų | 119 | 69% | 0.692 | 67% | 0.673 | S | S | * | * | trans | 39.2 | 83.1 | 142.5 | 58.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 679 | H | 38.1 | Very low | 47 | Very low | 174 Ų | 174 | 115.1 Ų | 115.1 | 81% | 0.806 | 64% | 0.643 | S | S | * | * | trans | -162.7 | 57.2 | 154.8 | -89.1 | -66.8 | 0 | 0 | 0 | 111.9 | ||||
| 680 | I | 39.6 | Very low | 50 | Low | 153 Ų | 153 | 115.1 Ų | 115.1 | 79% | 0.785 | 63% | 0.63 | S | S | * | * | trans | -112.9 | -7.1 | -179.4 | -66.8 | 178 | 0 | 0 | 0 | 114.5 | ||||
| 681 | N | 46 | Very low | 52.9 | Low | 148 Ų | 148 | 113.5 Ų | 113.5 | 79% | 0.791 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -91.7 | -5.7 | -173.5 | -90 | 14.3 | 0 | 0 | 0 | 118 | ||
| 682 | N | 51.1 | Low | 55.7 | Low | 91 Ų | 91 | 110.8 Ų | 110.8 | 49% | 0.487 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -97.4 | -16.7 | -178.3 | -81.5 | 16.2 | 0 | 0 | 0 | 115.2 | S685 | N682-S685 PolarHBondContact O-OG 3.46Š|
| 683 | H | 50.7 | Low | 58.6 | Low | 158 Ų | 158 | 106.2 Ų | 106.2 | 73% | 0.731 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -81 | -16.4 | -179.8 | -76.4 | -58.4 | 0 | 0 | 0 | 114 | ||
| 684 | S | 59.1 | Low | 61.6 | Low | 72 Ų | 72 | 106.6 Ų | 106.6 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.5 | -45.4 | 178.2 | -163.9 | 0 | 0 | 0 | 0 | 111.7 | D686 S687 D688 | S684-D686 PolarHBondContact O-N 2.87Å; S684-S687 PolarHBondContact O-N 3.22Å; S684-D688 PolarHBondContact O-N 3.39Å |
| 685 | S | 71.9 | Confident | 64.7 | Low | 44 Ų | 44 | 108.3 Ų | 108.3 | 31% | 0.308 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66 | -39 | -173.5 | 46.9 | 0 | 0 | 0 | 0 | 114.1 | H625 N682 L689 | H625-S685 PolarHBondContact NE2-OG 3.45Å; N682-S685 PolarHBondContact O-OG 3.46Å; S685-L689 WeakPolarHBondContact O-CG 3.38Å; S685-L689 PolarHBondContact O-N 2.99Å; S685-L689 VanDerWaalsContact O-N 3.1Å |
| 686 | D | 79.3 | Confident | 67.4 | Low | 30 Ų | 30 | 101.8 Ų | 101.8 | 16% | 0.16 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -68.1 | -38 | 176.4 | -169.3 | 64.9 | 0 | 0 | 0 | 111.6 | L622 S684 L689 R690 | L622-D686 WeakPolarHBondContact CD1-OD1 3.4Å; S684-D686 PolarHBondContact O-N 2.87Å; D686-L689 PolarHBondContact O-N 2.99Å; D686-R690 VanDerWaalsContact O-CG 3.31Å; D686-R690 WeakPolarHBondContact O-CG 3.36Å; D686-R690 PolarHBondContact O-N 3.46Å; D686-R690 VanDerWaalsContact O-N 3.11Å; D686-R690 IonicContact OD1-NE 4Å; D686-R690 IonicContact OD2-CZ 3.76Å; D686-R690 IonicContact OD2-NE 3.83Å; D686-R690 PolarHBondContact OD2-NE 3.34Å; D686-R690 IonicContact OD2-NH2 2.6Å; D686-R690 PolarHBondContact OD2-NH2 2.9Å |
| 687 | S | 80.5 | Confident | 70.5 | Confident | 69 Ų | 69 | 96.7 Ų | 96.7 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 175.9 | -171.2 | 0 | 0 | 0 | 0 | 111 | S684 L689 R690 E691 | S684-S687 PolarHBondContact O-N 3.22Å; S687-L689 PolarHBondContact O-N 3.23Å; S687-R690 PolarHBondContact O-N 2.69Å; S687-E691 PolarHBondContact O-N 3.37Å |
| 688 | D | 85.2 | Confident | 73.4 | Confident | 77 Ų | 77 | 91 Ų | 91 | 41% | 0.412 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | -179.8 | -60.6 | -22.2 | 0 | 0 | 0 | 111.8 | S684 E691 R692 | S684-D688 PolarHBondContact O-N 3.39Å; D688-E691 PolarHBondContact O-N 3.46Å; D688-R692 WeakPolarHBondContact O-CG 3.35Å; D688-R692 PolarHBondContact O-N 3.35Å |
| 689 | L | 86.1 | Confident | 76 | Confident | 27 Ų | 27 | 90.3 Ų | 90.3 | 14% | 0.141 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 176 | -75.2 | 173.7 | 0 | 0 | 0 | 112.6 | L618 L622 S685 D686 S687 L693 | L618-L689 HydrophobicContact CD2-CD2 4.1Å; L622-L689 HydrophobicContact CD1-CB 4.29Å; S685-L689 WeakPolarHBondContact O-CG 3.38Å; S685-L689 PolarHBondContact O-N 2.99Å; S685-L689 VanDerWaalsContact O-N 3.1Å; D686-L689 PolarHBondContact O-N 2.99Å; S687-L689 PolarHBondContact O-N 3.23Å; L689-L693 WeakPolarHBondContact O-CB 3.49Å; L689-L693 PolarHBondContact O-N 3.17Å |
| 690 | R | 87.4 | Confident | 78.7 | Confident | 119 Ų | 119 | 83 Ų | 83 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.7 | -39.7 | 176.8 | -73.4 | 171.9 | -176.2 | -101.8 | 3.3 | 112.1 | L622 D686 S687 L693 Y694 | L622-R690 HydrophobicContact CD1-CG 4.04Å; L622-R690 HydrophobicContact CD2-CG 4.44Å; D686-R690 VanDerWaalsContact O-CG 3.31Å; D686-R690 WeakPolarHBondContact O-CG 3.36Å; D686-R690 PolarHBondContact O-N 3.46Å; D686-R690 VanDerWaalsContact O-N 3.11Å; D686-R690 IonicContact OD1-NE 4Å; D686-R690 IonicContact OD2-CZ 3.76Å; D686-R690 IonicContact OD2-NE 3.83Å; D686-R690 PolarHBondContact OD2-NE 3.34Å; D686-R690 IonicContact OD2-NH2 2.6Å; D686-R690 PolarHBondContact OD2-NH2 2.9Å; S687-R690 PolarHBondContact O-N 2.69Å; R690-L693 PolarHBondContact O-N 3.42Å; R690-Y694 WeakPolarHBondContact O-CB 3.39Å; R690-Y694 PolarHBondContact O-N 3.26Å |
| 691 | E | 89.6 | Confident | 81.1 | Confident | 114 Ų | 114 | 82.1 Ų | 82.1 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.4 | -50 | 175.2 | -174.1 | 167.8 | -157.3 | 0 | 0 | 110.6 | S687 D688 L693 Y694 E695 | S687-E691 PolarHBondContact O-N 3.37Å; D688-E691 PolarHBondContact O-N 3.46Å; E691-L693 VanDerWaalsContact C-N 3.32Å; E691-L693 PolarHBondContact O-N 3.47Å; E691-Y694 PolarHBondContact O-N 3.35Å; E691-Y694 VanDerWaalsContact O-N 3.15Å; E691-E695 WeakPolarHBondContact O-CG 3.43Å; E691-E695 PolarHBondContact O-N 3.05Å |
| 692 | R | 91.4 | Very high | 83.3 | Confident | 118 Ų | 118 | 81.8 Ų | 81.8 | 45% | 0.445 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 175.7 | -71.9 | 176.1 | 62.7 | 178.2 | -0.8 | 113.2 | E614 L618 D688 E695 S696 | E614-R692 IonicContact OE1-NH2 2.82Å; L618-R692 HydrophobicContact CD1-CB 4.31Å; L618-R692 HydrophobicContact CD2-CB 4.47Å; D688-R692 WeakPolarHBondContact O-CG 3.35Å; D688-R692 PolarHBondContact O-N 3.35Å; R692-E695 PolarHBondContact O-N 3.5Å; R692-S696 WeakPolarHBondContact O-CB 3.33Å; R692-S696 PolarHBondContact O-N 3.3Å; R692-S696 PolarHBondContact O-OG 2.9Å |
| 693 | L | 90.5 | Very high | 85.3 | Confident | 21 Ų | 21 | 77.8 Ų | 77.8 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.8 | -48.7 | 175.4 | 179.8 | 65.4 | 0 | 0 | 0 | 110.5 | I615 L618 R619 L622 L689 R690 E691 E695 S696 E697 | I615-L693 HydrophobicContact CG1-CD1 4.49Å; I615-L693 HydrophobicContact CG2-CD1 4.07Å; L618-L693 HydrophobicContact CB-CB 4.46Å; L618-L693 HydrophobicContact CB-CD1 3.95Å; L618-L693 HydrophobicContact CD1-CB 4.43Å; L618-L693 HydrophobicContact CD1-CD1 4.48Å; R619-L693 HydrophobicContact CG-CD1 3.96Å; R619-L693 HydrophobicContact CG-CD2 4.2Å; L622-L693 HydrophobicContact CD2-CD2 4.43Å; L689-L693 WeakPolarHBondContact O-CB 3.49Å; L689-L693 PolarHBondContact O-N 3.17Å; R690-L693 PolarHBondContact O-N 3.42Å; E691-L693 VanDerWaalsContact C-N 3.32Å; E691-L693 PolarHBondContact O-N 3.47Å; L693-E695 VanDerWaalsContact C-N 3.34Å; L693-E695 PolarHBondContact O-N 2.95Å; L693-S696 PolarHBondContact O-N 3.29Å; L693-S696 PolarHBondContact O-OG 3.29Å; L693-E697 HydrophobicContact CD1-CG 4.33Å; L693-E697 WeakPolarHBondContact O-CG 3.5Å; L693-E697 PolarHBondContact O-N 3.02Å |
| 694 | Y | 91.8 | Very high | 87.3 | Confident | 159 Ų | 159 | 74.1 Ų | 74.1 | 62% | 0.624 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.6 | -41.3 | 177.6 | -179 | -101 | 0 | 0 | 0 | 112.3 | R690 E691 E697 T698 | R690-Y694 WeakPolarHBondContact O-CB 3.39Å; R690-Y694 PolarHBondContact O-N 3.26Å; E691-Y694 PolarHBondContact O-N 3.35Å; E691-Y694 VanDerWaalsContact O-N 3.15Å; Y694-E697 PolarHBondContact O-N 2.7Å; Y694-T698 HydrophobicContact CD1-CG2 4.31Å; Y694-T698 HydrophobicContact CE1-CG2 3.93Å; Y694-T698 HydrophobicContact CE2-CG2 4.15Å; Y694-T698 WeakPolarHBondContact O-CB 3.3Å; Y694-T698 VanDerWaalsContact O-CG2 3.29Å; Y694-T698 WeakPolarHBondContact O-CG2 3.47Å; Y694-T698 PolarHBondContact O-N 3.41Å; Y694-T698 PolarHBondContact O-OG1 3.43Å |
| 695 | E | 91.8 | Very high | 88.7 | Confident | 108 Ų | 108 | 75.9 Ų | 75.9 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 173.4 | -72.8 | -179.5 | 162.6 | 0 | 0 | 112.2 | E691 R692 L693 T698 K699 | E691-E695 WeakPolarHBondContact O-CG 3.43Å; E691-E695 PolarHBondContact O-N 3.05Å; R692-E695 PolarHBondContact O-N 3.5Å; L693-E695 VanDerWaalsContact C-N 3.34Å; L693-E695 PolarHBondContact O-N 2.95Å; E695-T698 WeakPolarHBondContact CA-OG1 3.37Å; E695-T698 PolarHBondContact O-N 2.92Å; E695-T698 PolarHBondContact O-OG1 3.11Å; E695-K699 WeakPolarHBondContact O-CB 3.37Å; E695-K699 PolarHBondContact O-N 3.05Å |
| 696 | S | 90.5 | Very high | 89.5 | Confident | 11 Ų | 11 | 77.6 Ų | 77.6 | 8% | 0.077 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 178.3 | 69.5 | 0 | 0 | 0 | 0 | 112.7 | I615 R692 L693 K699 L700 | I615-S696 VanDerWaalsContact CG1-OG 3.24Å; I615-S696 WeakPolarHBondContact CG1-OG 3.36Å; R692-S696 WeakPolarHBondContact O-CB 3.33Å; R692-S696 PolarHBondContact O-N 3.3Å; R692-S696 PolarHBondContact O-OG 2.9Å; L693-S696 PolarHBondContact O-N 3.29Å; L693-S696 PolarHBondContact O-OG 3.29Å; S696-K699 PolarHBondContact O-N 3.37Å; S696-L700 WeakPolarHBondContact O-CB 3.49Å; S696-L700 PolarHBondContact O-N 2.9Å |
| 697 | E | 92.3 | Very high | 90 | Very high | 67 Ų | 67 | 77 Ų | 77 | 31% | 0.313 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 177 | -73.1 | -179 | 157.9 | 0 | 0 | 111.9 | I615 R619 L693 Y694 K699 L700 K701 | I615-E697 HydrophobicContact CD1-CG 3.97Å; I615-E697 HydrophobicContact CG1-CG 4.17Å; R619-E697 IonicContact CZ-OE1 3.97Å; R619-E697 IonicContact NE-OE1 3.35Å; R619-E697 IonicContact NH2-OE1 3.54Å; R619-E697 PolarHBondContact NH2-OE1 3.16Å; L693-E697 HydrophobicContact CD1-CG 4.33Å; L693-E697 WeakPolarHBondContact O-CG 3.5Å; L693-E697 PolarHBondContact O-N 3.02Å; Y694-E697 PolarHBondContact O-N 2.7Å; E697-K699 VanDerWaalsContact C-N 3.34Å; E697-L700 PolarHBondContact O-N 2.9Å; E697-K701 PolarHBondContact O-N 3.44Å |
| 698 | T | 90.8 | Very high | 90.3 | Very high | 51 Ų | 51 | 79.1 Ų | 79.1 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 174.8 | 55.9 | 0 | 0 | 0 | 0 | 112 | Y694 E695 R702 | Y694-T698 HydrophobicContact CD1-CG2 4.31Å; Y694-T698 HydrophobicContact CE1-CG2 3.93Å; Y694-T698 HydrophobicContact CE2-CG2 4.15Å; Y694-T698 WeakPolarHBondContact O-CB 3.3Å; Y694-T698 VanDerWaalsContact O-CG2 3.29Å; Y694-T698 WeakPolarHBondContact O-CG2 3.47Å; Y694-T698 PolarHBondContact O-N 3.41Å; Y694-T698 PolarHBondContact O-OG1 3.43Å; E695-T698 WeakPolarHBondContact CA-OG1 3.37Å; E695-T698 PolarHBondContact O-N 2.92Å; E695-T698 PolarHBondContact O-OG1 3.11Å; T698-R702 PolarHBondContact O-N 3.48Å |
| 699 | K | 93.2 | Very high | 90.4 | Very high | 85 Ų | 85 | 78.2 Ų | 78.2 | 37% | 0.37 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 173.4 | -167 | 177.8 | 174.3 | -154.2 | 0 | 111.6 | E607 L611 E695 S696 E697 K701 R702 V703 | E607-K699 WeakPolarHBondContact OE1-CE 3.38Å; E607-K699 IonicContact OE1-NZ 3.14Å; E607-K699 PolarHBondContact OE1-NZ 3.4Å; L611-K699 HydrophobicContact CD1-CB 4.3Å; L611-K699 HydrophobicContact CD1-CD 4.23Å; L611-K699 HydrophobicContact CD1-CG 3.91Å; L611-K699 HydrophobicContact CD2-CB 4.39Å; L611-K699 HydrophobicContact CD2-CD 3.97Å; L611-K699 HydrophobicContact CD2-CG 4.32Å; E695-K699 WeakPolarHBondContact O-CB 3.37Å; E695-K699 PolarHBondContact O-N 3.05Å; S696-K699 PolarHBondContact O-N 3.37Å; E697-K699 VanDerWaalsContact C-N 3.34Å; K699-K701 VanDerWaalsContact C-N 3.34Å; K699-K701 PolarHBondContact O-N 3.45Å; K699-R702 WeakPolarHBondContact O-CB 3.29Å; K699-R702 PolarHBondContact O-N 3Å; K699-V703 WeakPolarHBondContact O-CG2 3.32Å; K699-V703 PolarHBondContact O-N 3.15Å |
| 700 | L | 92.8 | Very high | 90.4 | Very high | 22 Ų | 22 | 78.6 Ų | 78.6 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 176.4 | 178.2 | 65.9 | 0 | 0 | 0 | 111.4 | H608 L611 L612 I615 S696 E697 R702 V703 M704 | H608-L700 VanDerWaalsContact CD2-CD1 3.43Å; H608-L700 WeakPolarHBondContact CD2-CD1 3.42Å; L611-L700 HydrophobicContact CB-CB 4.3Å; L611-L700 HydrophobicContact CB-CD1 4.01Å; L611-L700 HydrophobicContact CD1-CB 4.34Å; L612-L700 HydrophobicContact CD2-CD2 3.74Å; L612-L700 HydrophobicContact CG-CD1 4.34Å; L612-L700 HydrophobicContact CG-CD2 4.37Å; I615-L700 HydrophobicContact CD1-CB 4Å; I615-L700 HydrophobicContact CD1-CD2 3.62Å; I615-L700 HydrophobicContact CD1-CG 4.41Å; S696-L700 WeakPolarHBondContact O-CB 3.49Å; S696-L700 PolarHBondContact O-N 2.9Å; E697-L700 PolarHBondContact O-N 2.9Å; L700-R702 VanDerWaalsContact C-N 3.3Å; L700-R702 PolarHBondContact O-N 2.95Å; L700-V703 PolarHBondContact O-N 2.81Å; L700-M704 HydrophobicContact CD1-CG 4.33Å; L700-M704 HydrophobicContact CG-CG 4.46Å; L700-M704 HydrophobicContact CG-SD 4.26Å; L700-M704 WeakPolarHBondContact O-CG 3.46Å; L700-M704 PolarHBondContact O-N 3.4Å |
| 701 | K | 91.5 | Very high | 90.3 | Very high | 134 Ų | 134 | 78.6 Ų | 78.6 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -56.7 | -44.4 | 177.2 | -172.3 | 179.2 | 177.8 | -176 | 0 | 111.9 | E697 K699 M704 E705 | E697-K701 PolarHBondContact O-N 3.44Å; K699-K701 VanDerWaalsContact C-N 3.34Å; K699-K701 PolarHBondContact O-N 3.45Å; K701-M704 PolarHBondContact O-N 3.17Å; K701-E705 VanDerWaalsContact CE-OE1 3.32Å; K701-E705 WeakPolarHBondContact CE-OE1 3.34Å; K701-E705 WeakPolarHBondContact O-CG 3.34Å; K701-E705 PolarHBondContact O-N 3.39Å |
| 702 | R | 92.1 | Very high | 90.1 | Very high | 140 Ų | 140 | 79.7 Ų | 79.7 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 177.5 | -164.9 | -173.8 | -57.2 | 113 | 2.7 | 112.3 | T698 K699 L700 E705 N706 | T698-R702 PolarHBondContact O-N 3.48Å; K699-R702 WeakPolarHBondContact O-CB 3.29Å; K699-R702 PolarHBondContact O-N 3Å; L700-R702 VanDerWaalsContact C-N 3.3Å; L700-R702 PolarHBondContact O-N 2.95Å; R702-E705 PolarHBondContact O-N 3.23Å; R702-N706 PolarHBondContact O-N 3.01Å |
| 703 | V | 93 | Very high | 89.6 | Confident | 7 Ų | 7 | 80 Ų | 80 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 111 | L604 E607 H608 L611 K699 L700 N706 L707 | L604-V703 HydrophobicContact CD2-CG1 4.26Å; E607-V703 HydrophobicContact CG-CG2 4.07Å; H608-V703 HydrophobicContact CB-CG1 4Å; L611-V703 HydrophobicContact CD1-CB 4.45Å; L611-V703 HydrophobicContact CD1-CG2 3.89Å; K699-V703 WeakPolarHBondContact O-CG2 3.32Å; K699-V703 PolarHBondContact O-N 3.15Å; L700-V703 PolarHBondContact O-N 2.81Å; V703-N706 PolarHBondContact O-N 3.01Å; V703-L707 WeakPolarHBondContact O-CB 3.47Å; V703-L707 PolarHBondContact O-N 3.48Å |
| 704 | M | 91.5 | Very high | 89 | Confident | 82 Ų | 82 | 80.5 Ų | 80.5 | 40% | 0.404 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 176.4 | -71.4 | -177.3 | 74.3 | 0 | 0 | 112.6 | H608 L700 K701 N706 L707 I708 | H608-M704 VanDerWaalsContact CD2-CG 3.49Å; H608-M704 WeakPolarHBondContact CD2-CG 3.44Å; L700-M704 HydrophobicContact CD1-CG 4.33Å; L700-M704 HydrophobicContact CG-CG 4.46Å; L700-M704 HydrophobicContact CG-SD 4.26Å; L700-M704 WeakPolarHBondContact O-CG 3.46Å; L700-M704 PolarHBondContact O-N 3.4Å; K701-M704 PolarHBondContact O-N 3.17Å; M704-N706 VanDerWaalsContact C-N 3.34Å; M704-N706 PolarHBondContact O-N 3.4Å; M704-L707 PolarHBondContact O-N 2.95Å; M704-I708 WeakPolarHBondContact O-CG1 3.35Å; M704-I708 PolarHBondContact O-N 3.17Å |
| 705 | E | 89.5 | Confident | 88.5 | Confident | 108 Ų | 108 | 78.6 Ų | 78.6 | 51% | 0.505 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 175.8 | -74.4 | 171 | -175.7 | 0 | 0 | 111.2 | K701 R702 A709 | K701-E705 VanDerWaalsContact CE-OE1 3.32Å; K701-E705 WeakPolarHBondContact CE-OE1 3.34Å; K701-E705 WeakPolarHBondContact O-CG 3.34Å; K701-E705 PolarHBondContact O-N 3.39Å; R702-E705 PolarHBondContact O-N 3.23Å; E705-A709 WeakPolarHBondContact O-CB 3.36Å; E705-A709 PolarHBondContact O-N 3.42Å; E705-A709 VanDerWaalsContact O-N 3.08Å |
| 706 | N | 89 | Confident | 88 | Confident | 81 Ų | 81 | 76.9 Ų | 76.9 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.6 | -72.6 | -14.2 | 0 | 0 | 0 | 112.3 | L604 R702 V703 M704 I708 A709 V710 | L604-N706 HydrophobicContact CD1-CB 4.29Å; L604-N706 HydrophobicContact CD2-CB 4.37Å; R702-N706 PolarHBondContact O-N 3.01Å; V703-N706 PolarHBondContact O-N 3.01Å; M704-N706 VanDerWaalsContact C-N 3.34Å; M704-N706 PolarHBondContact O-N 3.4Å; N706-I708 PolarHBondContact O-N 3.34Å; N706-A709 PolarHBondContact O-N 3.02Å; N706-V710 WeakPolarHBondContact O-CG2 3.46Å; N706-V710 PolarHBondContact O-N 3.43Å |
| 707 | L | 89.1 | Confident | 87.4 | Confident | 17 Ų | 17 | 80.9 Ų | 80.9 | 9% | 0.089 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | -179.9 | -176.7 | 67 | 0 | 0 | 0 | 111.6 | I601 L604 E605 V703 M704 R711 | I601-L707 HydrophobicContact CG2-CD1 4.2Å; L604-L707 HydrophobicContact CB-CD1 3.87Å; E605-L707 HydrophobicContact CG-CD1 3.79Å; E605-L707 HydrophobicContact CG-CD2 4.06Å; V703-L707 WeakPolarHBondContact O-CB 3.47Å; V703-L707 PolarHBondContact O-N 3.48Å; M704-L707 PolarHBondContact O-N 2.95Å; L707-R711 WeakPolarHBondContact O-CB 3.39Å; L707-R711 PolarHBondContact O-N 3.42Å |
| 708 | I | 88 | Confident | 86.9 | Confident | 114 Ų | 114 | 83.7 Ų | 83.7 | 59% | 0.585 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 175.6 | -67.9 | 166.6 | 0 | 0 | 0 | 110.3 | M704 N706 R711 H712 | M704-I708 WeakPolarHBondContact O-CG1 3.35Å; M704-I708 PolarHBondContact O-N 3.17Å; N706-I708 PolarHBondContact O-N 3.34Å; I708-R711 PolarHBondContact O-N 3.28Å; I708-H712 WeakPolarHBondContact O-CB 3.37Å; I708-H712 PolarHBondContact O-N 3.01Å |
| 709 | A | 86.9 | Confident | 86.4 | Confident | 57 Ų | 57 | 86.2 Ų | 86.2 | 47% | 0.471 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -51.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E705 N706 R711 H712 E713 | E705-A709 WeakPolarHBondContact O-CB 3.36Å; E705-A709 PolarHBondContact O-N 3.42Å; E705-A709 VanDerWaalsContact O-N 3.08Å; N706-A709 PolarHBondContact O-N 3.02Å; A709-R711 VanDerWaalsContact C-N 3.35Å; A709-R711 PolarHBondContact O-N 3.18Å; A709-H712 PolarHBondContact O-N 3.42Å; A709-E713 PolarHBondContact O-N 3.35Å |
| 710 | V | 85 | Confident | 85.6 | Confident | 36 Ų | 36 | 83.8 Ų | 83.8 | 22% | 0.218 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 180 | 177 | 0 | 0 | 0 | 0 | 111.2 | I601 L604 N706 E713 A714 | I601-V710 HydrophobicContact CD1-CG1 4.25Å; I601-V710 HydrophobicContact CG1-CG1 3.64Å; L604-V710 HydrophobicContact CD1-CG2 4.19Å; N706-V710 WeakPolarHBondContact O-CG2 3.46Å; N706-V710 PolarHBondContact O-N 3.43Å; V710-E713 PolarHBondContact O-N 3.41Å; V710-A714 WeakPolarHBondContact O-CB 3.26Å; V710-A714 PolarHBondContact O-N 3.03Å |
| 711 | R | 85.3 | Confident | 84.7 | Confident | 119 Ų | 119 | 88.1 Ų | 88.1 | 45% | 0.449 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 177.3 | -173.7 | 178.7 | -76 | 162.8 | -5.2 | 111.9 | E605 L707 I708 A709 E713 A714 Q715 | E605-R711 IonicContact OE1-CZ 2.74Å; E605-R711 IonicContact OE1-NH2 3.61Å; E605-R711 PolarHBondContact OE1-NH2 2.91Å; L707-R711 WeakPolarHBondContact O-CB 3.39Å; L707-R711 PolarHBondContact O-N 3.42Å; I708-R711 PolarHBondContact O-N 3.28Å; A709-R711 VanDerWaalsContact C-N 3.35Å; A709-R711 PolarHBondContact O-N 3.18Å; R711-E713 VanDerWaalsContact C-N 3.35Å; R711-A714 PolarHBondContact O-N 3.09Å; R711-Q715 WeakPolarHBondContact O-CB 3.45Å; R711-Q715 PolarHBondContact O-N 3.42Å |
| 712 | H | 85.8 | Confident | 84 | Confident | 137 Ų | 137 | 85.1 Ų | 85.1 | 63% | 0.634 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 176.1 | -175.6 | -84.3 | 0 | 0 | 0 | 111.6 | I708 A709 Q715 S716 | I708-H712 WeakPolarHBondContact O-CB 3.37Å; I708-H712 PolarHBondContact O-N 3.01Å; A709-H712 PolarHBondContact O-N 3.42Å; H712-Q715 PolarHBondContact O-N 3.49Å; H712-S716 WeakPolarHBondContact O-CB 3.33Å; H712-S716 PolarHBondContact O-N 3.3Å |
| 713 | E | 80.8 | Confident | 83.3 | Confident | 123 Ų | 123 | 81.8 Ų | 81.8 | 58% | 0.575 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.8 | -48.3 | 175.2 | -174.7 | 169.9 | -161.5 | 0 | 0 | 112 | A709 V710 R711 Q715 S716 F717 | A709-E713 PolarHBondContact O-N 3.35Å; V710-E713 PolarHBondContact O-N 3.41Å; R711-E713 VanDerWaalsContact C-N 3.35Å; E713-Q715 VanDerWaalsContact C-N 3.32Å; E713-Q715 PolarHBondContact O-N 3.06Å; E713-S716 PolarHBondContact O-N 3.42Å; E713-F717 WeakPolarHBondContact O-CB 3.4Å; E713-F717 PolarHBondContact O-N 3.05Å |
| 714 | A | 79.4 | Confident | 82.3 | Confident | 33 Ų | 33 | 84.9 Ų | 84.9 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I601 V710 R711 F717 K718 | I601-A714 HydrophobicContact CD1-CB 4Å; V710-A714 WeakPolarHBondContact O-CB 3.26Å; V710-A714 PolarHBondContact O-N 3.03Å; R711-A714 PolarHBondContact O-N 3.09Å; A714-F717 PolarHBondContact O-N 3.26Å; A714-K718 WeakPolarHBondContact O-CB 3.36Å; A714-K718 PolarHBondContact O-N 3.49Å |
| 715 | Q | 81.5 | Confident | 81.4 | Confident | 118 Ų | 118 | 85.3 Ų | 85.3 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.9 | -40.7 | 177.3 | -171.5 | 171.4 | 0.3 | 0 | 0 | 112.2 | R711 H712 E713 F717 K718 L719 | R711-Q715 WeakPolarHBondContact O-CB 3.45Å; R711-Q715 PolarHBondContact O-N 3.42Å; H712-Q715 PolarHBondContact O-N 3.49Å; E713-Q715 VanDerWaalsContact C-N 3.32Å; E713-Q715 PolarHBondContact O-N 3.06Å; Q715-F717 VanDerWaalsContact C-N 3.33Å; Q715-K718 PolarHBondContact O-N 3.01Å; Q715-L719 WeakPolarHBondContact O-CG 3.29Å; Q715-L719 PolarHBondContact O-N 3.29Å |
| 716 | S | 80 | Confident | 80.9 | Confident | 73 Ų | 73 | 86.8 Ų | 86.8 | 51% | 0.51 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 174.1 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | H712 E713 G720 | H712-S716 WeakPolarHBondContact O-CB 3.33Å; H712-S716 PolarHBondContact O-N 3.3Å; E713-S716 PolarHBondContact O-N 3.42Å; S716-G720 PolarHBondContact O-N 3.45Å |
| 717 | F | 78.1 | Confident | 80.5 | Confident | 95 Ų | 95 | 89.1 Ų | 89.1 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 176.6 | -172.4 | -95.1 | 0 | 0 | 0 | 111.5 | L590 E713 A714 Q715 L719 G720 W721 | L590-F717 HydrophobicContact CD2-CE2 4.42Å; L590-F717 HydrophobicContact CD2-CZ 3.99Å; E713-F717 WeakPolarHBondContact O-CB 3.4Å; E713-F717 PolarHBondContact O-N 3.05Å; A714-F717 PolarHBondContact O-N 3.26Å; Q715-F717 VanDerWaalsContact C-N 3.33Å; F717-L719 PolarHBondContact O-N 3.2Å; F717-G720 PolarHBondContact O-N 3.39Å; F717-W721 WeakPolarHBondContact O-CB 3.44Å; F717-W721 PolarHBondContact O-N 3.07Å |
| 718 | K | 80.9 | Confident | 79.7 | Confident | 126 Ų | 126 | 95 Ų | 95 | 55% | 0.548 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 176.2 | -177.7 | 177.2 | 175 | 178.9 | 0 | 112.5 | A714 Q715 G720 W721 E722 | A714-K718 WeakPolarHBondContact O-CB 3.36Å; A714-K718 PolarHBondContact O-N 3.49Å; Q715-K718 PolarHBondContact O-N 3.01Å; K718-G720 VanDerWaalsContact C-N 3.34Å; K718-G720 PolarHBondContact O-N 2.87Å; K718-W721 PolarHBondContact O-N 2.93Å; K718-E722 WeakPolarHBondContact CE-OE1 3.37Å; K718-E722 IonicContact NZ-OE1 3.07Å; K718-E722 WeakPolarHBondContact O-CG 3.5Å; K718-E722 PolarHBondContact O-N 2.92Å |
| 719 | L | 80.8 | Confident | 79 | Confident | 103 Ų | 103 | 94.1 Ų | 94.1 | 54% | 0.539 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 178.9 | -71.3 | 171.9 | 0 | 0 | 0 | 112.4 | Q715 F717 S723 | Q715-L719 WeakPolarHBondContact O-CG 3.29Å; Q715-L719 PolarHBondContact O-N 3.29Å; F717-L719 PolarHBondContact O-N 3.2Å; L719-S723 PolarHBondContact O-N 3.04Å; L719-S723 VanDerWaalsContact O-N 3.15Å |
| 720 | G | 76.8 | Confident | 78.9 | Confident | 34 Ų | 34 | 98.2 Ų | 98.2 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.7 | -48 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S716 F717 K718 S723 E724 | S716-G720 PolarHBondContact O-N 3.45Å; F717-G720 PolarHBondContact O-N 3.39Å; K718-G720 VanDerWaalsContact C-N 3.34Å; K718-G720 PolarHBondContact O-N 2.87Å; G720-S723 WeakPolarHBondContact O-CB 3.43Å; G720-S723 PolarHBondContact O-N 3.14Å; G720-E724 PolarHBondContact O-N 2.99Å |
| 721 | W | 75 | Confident | 78.7 | Confident | 114 Ų | 114 | 102 Ų | 102 | 43% | 0.432 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 179 | -173.3 | 81.7 | 0 | 0 | 0 | 112.8 | F717 K718 S723 E724 Q725 | F717-W721 WeakPolarHBondContact O-CB 3.44Å; F717-W721 PolarHBondContact O-N 3.07Å; K718-W721 PolarHBondContact O-N 2.93Å; W721-S723 VanDerWaalsContact C-N 3.28Å; W721-S723 PolarHBondContact O-N 2.91Å; W721-E724 PolarHBondContact O-N 3.39Å; W721-Q725 WeakPolarHBondContact O-CB 3.45Å; W721-Q725 PolarHBondContact O-N 3.27Å |
| 722 | E | 75.5 | Confident | 78.4 | Confident | 71 Ų | 71 | 101 Ų | 101 | 33% | 0.332 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 175.7 | -74.8 | 175.1 | -179.1 | 0 | 0 | 112.7 | K718 K726 | K718-E722 WeakPolarHBondContact CE-OE1 3.37Å; K718-E722 IonicContact NZ-OE1 3.07Å; K718-E722 WeakPolarHBondContact O-CG 3.5Å; K718-E722 PolarHBondContact O-N 2.92Å; E722-K726 WeakPolarHBondContact O-CG 3.32Å; E722-K726 PolarHBondContact O-N 3.02Å |
| 723 | S | 78.5 | Confident | 78.2 | Confident | 69 Ų | 69 | 100.5 Ų | 100.5 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70 | -43 | 175.5 | -170.5 | 0 | 0 | 0 | 0 | 111.7 | L719 G720 W721 K726 E727 | L719-S723 PolarHBondContact O-N 3.04Å; L719-S723 VanDerWaalsContact O-N 3.15Å; G720-S723 WeakPolarHBondContact O-CB 3.43Å; G720-S723 PolarHBondContact O-N 3.14Å; W721-S723 VanDerWaalsContact C-N 3.28Å; W721-S723 PolarHBondContact O-N 2.91Å; S723-K726 PolarHBondContact O-N 2.88Å; S723-E727 PolarHBondContact O-N 3.31Å |
| 724 | E | 71.2 | Confident | 78.4 | Confident | 73 Ų | 73 | 98.8 Ų | 98.8 | 34% | 0.341 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 177 | -74.2 | -170.6 | 151.4 | 0 | 0 | 111.4 | G720 W721 K726 E727 W728 K1021 | G720-E724 PolarHBondContact O-N 2.99Å; W721-E724 PolarHBondContact O-N 3.39Å; E724-K726 PolarHBondContact O-N 3.12Å; E724-E727 PolarHBondContact O-N 3.48Å; E724-W728 VanDerWaalsContact O-CD1 3.3Å; E724-W728 PolarHBondContact O-N 3.02Å; E724-K1021 IonicContact OE1-NZ 3.32Å |
| 725 | Q | 71.7 | Confident | 78.3 | Confident | 91 Ų | 91 | 101.4 Ų | 101.4 | 43% | 0.425 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -55.8 | -39.3 | 175.6 | -168.7 | -174.7 | 0.6 | 0 | 0 | 111.2 | W721 W728 M729 | W721-Q725 WeakPolarHBondContact O-CB 3.45Å; W721-Q725 PolarHBondContact O-N 3.27Å; Q725-W728 PolarHBondContact O-N 3.28Å; Q725-M729 VanDerWaalsContact O-CG 3.24Å; Q725-M729 WeakPolarHBondContact O-CG 3.45Å; Q725-M729 PolarHBondContact O-N 3.26Å |
| 726 | K | 80.4 | Confident | 78.1 | Confident | 139 Ų | 139 | 99.8 Ų | 99.8 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.3 | -37.4 | 174.6 | -74.6 | 175.2 | -176.8 | 175.2 | 0 | 113.5 | E722 S723 E724 K730 | E722-K726 WeakPolarHBondContact O-CG 3.32Å; E722-K726 PolarHBondContact O-N 3.02Å; S723-K726 PolarHBondContact O-N 2.88Å; E724-K726 PolarHBondContact O-N 3.12Å; K726-K730 WeakPolarHBondContact O-CG 3.47Å; K726-K730 PolarHBondContact O-N 3.17Å |
| 727 | E | 79.9 | Confident | 78.4 | Confident | 130 Ų | 130 | 102 Ų | 102 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.4 | -43.3 | 173.5 | -78.5 | -167.6 | 150.6 | 0 | 0 | 111.3 | S723 E724 M729 K730 E731 | S723-E727 PolarHBondContact O-N 3.31Å; E724-E727 PolarHBondContact O-N 3.48Å; E727-M729 PolarHBondContact O-N 3.27Å; E727-K730 WeakPolarHBondContact O-CB 3.43Å; E727-K730 PolarHBondContact O-N 3.45Å; E727-E731 PolarHBondContact O-N 2.92Å |
| 728 | W | 71.6 | Confident | 78.7 | Confident | 140 Ų | 140 | 103.3 Ų | 103.3 | 53% | 0.53 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 176.5 | -89.5 | 92.3 | 0 | 0 | 0 | 112.7 | F583 E724 Q725 K730 E731 R732 | F583-W728 HydrophobicContact CE1-CH2 4.31Å; F583-W728 HydrophobicContact CE1-CZ2 4.15Å; F583-W728 HydrophobicContact CZ-CH2 4.38Å; E724-W728 VanDerWaalsContact O-CD1 3.3Å; E724-W728 PolarHBondContact O-N 3.02Å; Q725-W728 PolarHBondContact O-N 3.28Å; W728-K730 VanDerWaalsContact C-N 3.32Å; W728-K730 PolarHBondContact O-N 2.99Å; W728-E731 PolarHBondContact O-N 3.22Å; W728-R732 VanDerWaalsContact O-CB 3.28Å; W728-R732 WeakPolarHBondContact O-CB 3.26Å; W728-R732 PolarHBondContact O-N 3.42Å |
| 729 | M | 74.3 | Confident | 78.7 | Confident | 95 Ų | 95 | 102.5 Ų | 102.5 | 47% | 0.468 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 176.3 | -69.2 | -135 | -64.9 | 0 | 0 | 111.9 | Q725 E727 R732 E733 | Q725-M729 VanDerWaalsContact O-CG 3.24Å; Q725-M729 WeakPolarHBondContact O-CG 3.45Å; Q725-M729 PolarHBondContact O-N 3.26Å; E727-M729 PolarHBondContact O-N 3.27Å; M729-R732 PolarHBondContact O-N 3.02Å; M729-E733 WeakPolarHBondContact O-CB 3.48Å; M729-E733 WeakPolarHBondContact O-CG 3.28Å; M729-E733 PolarHBondContact O-N 3.3Å |
| 730 | K | 84.9 | Confident | 78.9 | Confident | 143 Ų | 143 | 104.1 Ų | 104.1 | 62% | 0.622 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.9 | -41.3 | 176.6 | -69.8 | 173.9 | -178.7 | 179.7 | 0 | 112.8 | K726 E727 W728 L734 | K726-K730 WeakPolarHBondContact O-CG 3.47Å; K726-K730 PolarHBondContact O-N 3.17Å; E727-K730 WeakPolarHBondContact O-CB 3.43Å; E727-K730 PolarHBondContact O-N 3.45Å; W728-K730 VanDerWaalsContact C-N 3.32Å; W728-K730 PolarHBondContact O-N 2.99Å; K730-L734 PolarHBondContact O-N 2.95Å; K730-L734 VanDerWaalsContact O-N 3.1Å |
| 731 | E | 79.7 | Confident | 79.5 | Confident | 117 Ų | 117 | 106.5 Ų | 106.5 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | 178.5 | -173.7 | 167.5 | -163.6 | 0 | 0 | 111.5 | E727 W728 L734 L735 | E727-E731 PolarHBondContact O-N 2.92Å; W728-E731 PolarHBondContact O-N 3.22Å; E731-L734 PolarHBondContact O-N 3.48Å; E731-L735 HydrophobicContact CG-CD1 4.25Å; E731-L735 WeakPolarHBondContact O-CG 3.41Å; E731-L735 PolarHBondContact O-N 3.37Å |
| 732 | R | 79.2 | Confident | 79.9 | Confident | 98 Ų | 98 | 104.6 Ų | 104.6 | 37% | 0.37 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 173.2 | 179.7 | -177.3 | 147.4 | -147.7 | -14.1 | 111.7 | W728 M729 L734 L735 E736 | W728-R732 VanDerWaalsContact O-CB 3.28Å; W728-R732 WeakPolarHBondContact O-CB 3.26Å; W728-R732 PolarHBondContact O-N 3.42Å; M729-R732 PolarHBondContact O-N 3.02Å; R732-L734 VanDerWaalsContact C-N 3.3Å; R732-L734 PolarHBondContact O-N 2.97Å; R732-L735 PolarHBondContact O-N 3.24Å; R732-L735 VanDerWaalsContact O-N 3.17Å; R732-E736 HydrophobicContact CG-CG 4.4Å; R732-E736 WeakPolarHBondContact CG-OE1 3.47Å; R732-E736 IonicContact CZ-OE1 3.93Å; R732-E736 IonicContact NE-OE1 3.59Å; R732-E736 PolarHBondContact NE-OE1 3.5Å; R732-E736 IonicContact NH2-OE1 3.52Å; R732-E736 PolarHBondContact NH2-OE1 3.28Å; R732-E736 WeakPolarHBondContact O-CB 3.29Å; R732-E736 WeakPolarHBondContact O-CG 3.49Å; R732-E736 PolarHBondContact O-N 2.99Å |
| 733 | E | 81.1 | Confident | 80.2 | Confident | 126 Ų | 126 | 104.7 Ų | 104.7 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.1 | -42.8 | 176.1 | -78.1 | 175 | 176.2 | 0 | 0 | 111.7 | M729 E736 E737 | M729-E733 WeakPolarHBondContact O-CB 3.48Å; M729-E733 WeakPolarHBondContact O-CG 3.28Å; M729-E733 PolarHBondContact O-N 3.3Å; E733-E736 PolarHBondContact O-N 3.45Å; E733-E737 WeakPolarHBondContact O-CB 3.34Å; E733-E737 PolarHBondContact O-N 2.91Å |
| 734 | L | 86.4 | Confident | 80.6 | Confident | 86 Ų | 86 | 105.4 Ų | 105.4 | 45% | 0.45 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 177.4 | -176.6 | 69 | 0 | 0 | 0 | 112.7 | K730 E731 R732 K738 | K730-L734 PolarHBondContact O-N 2.95Å; K730-L734 VanDerWaalsContact O-N 3.1Å; E731-L734 PolarHBondContact O-N 3.48Å; R732-L734 VanDerWaalsContact C-N 3.3Å; R732-L734 PolarHBondContact O-N 2.97Å; L734-K738 WeakPolarHBondContact O-CG 3.49Å; L734-K738 PolarHBondContact O-N 2.92Å; L734-K738 VanDerWaalsContact O-N 3.12Å |
| 735 | L | 76.7 | Confident | 81.2 | Confident | 88 Ų | 88 | 108.4 Ų | 108.4 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.2 | -42.2 | 176.9 | -75.8 | 168.8 | 0 | 0 | 0 | 111.6 | E731 R732 E737 K738 I739 | E731-L735 HydrophobicContact CG-CD1 4.25Å; E731-L735 WeakPolarHBondContact O-CG 3.41Å; E731-L735 PolarHBondContact O-N 3.37Å; R732-L735 PolarHBondContact O-N 3.24Å; R732-L735 VanDerWaalsContact O-N 3.17Å; L735-E737 VanDerWaalsContact C-N 3.32Å; L735-E737 PolarHBondContact O-N 3.17Å; L735-K738 PolarHBondContact O-N 2.99Å; L735-I739 WeakPolarHBondContact O-CB 3.45Å; L735-I739 VanDerWaalsContact O-CG1 3.29Å; L735-I739 WeakPolarHBondContact O-CG1 3.49Å; L735-I739 PolarHBondContact O-N 3.47Å |
| 736 | E | 77.6 | Confident | 81.9 | Confident | 84 Ų | 84 | 110.2 Ų | 110.2 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 174.3 | -76 | 175.1 | -175.5 | 0 | 0 | 111 | R732 E733 I739 K740 | R732-E736 HydrophobicContact CG-CG 4.4Å; R732-E736 WeakPolarHBondContact CG-OE1 3.47Å; R732-E736 IonicContact CZ-OE1 3.93Å; R732-E736 IonicContact NE-OE1 3.59Å; R732-E736 PolarHBondContact NE-OE1 3.5Å; R732-E736 IonicContact NH2-OE1 3.52Å; R732-E736 PolarHBondContact NH2-OE1 3.28Å; R732-E736 WeakPolarHBondContact O-CB 3.29Å; R732-E736 WeakPolarHBondContact O-CG 3.49Å; R732-E736 PolarHBondContact O-N 2.99Å; E733-E736 PolarHBondContact O-N 3.45Å; E736-I739 PolarHBondContact O-N 3.43Å; E736-K740 WeakPolarHBondContact O-CB 3.43Å; E736-K740 PolarHBondContact O-N 3.08Å |
| 737 | E | 86 | Confident | 81.9 | Confident | 120 Ų | 120 | 106.5 Ų | 106.5 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 175.3 | -173.1 | 177.3 | -156.3 | 0 | 0 | 112.2 | E733 L735 K740 I741 | E733-E737 WeakPolarHBondContact O-CB 3.34Å; E733-E737 PolarHBondContact O-N 2.91Å; L735-E737 VanDerWaalsContact C-N 3.32Å; L735-E737 PolarHBondContact O-N 3.17Å; E737-K740 PolarHBondContact O-N 3.26Å; E737-I741 HydrophobicContact CG-CD1 4.12Å; E737-I741 WeakPolarHBondContact O-CG1 3.43Å; E737-I741 PolarHBondContact O-N 3.19Å |
| 738 | K | 85.4 | Confident | 82.3 | Confident | 123 Ų | 123 | 104.1 Ų | 104.1 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.6 | -76.9 | 175.6 | -178.7 | 176.6 | 0 | 112.6 | L734 L735 K740 I741 S742 | L734-K738 WeakPolarHBondContact O-CG 3.49Å; L734-K738 PolarHBondContact O-N 2.92Å; L734-K738 VanDerWaalsContact O-N 3.12Å; L735-K738 PolarHBondContact O-N 2.99Å; K738-K740 VanDerWaalsContact C-N 3.35Å; K738-I741 PolarHBondContact O-N 3.49Å; K738-S742 WeakPolarHBondContact O-CB 3.45Å; K738-S742 PolarHBondContact O-N 3.2Å |
| 739 | I | 79.9 | Confident | 82.9 | Confident | 108 Ų | 108 | 99.3 Ų | 99.3 | 55% | 0.554 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.9 | -45.9 | 178 | -70.7 | 167.3 | 0 | 0 | 0 | 109.4 | L735 E736 I741 S742 V743 | L735-I739 WeakPolarHBondContact O-CB 3.45Å; L735-I739 VanDerWaalsContact O-CG1 3.29Å; L735-I739 WeakPolarHBondContact O-CG1 3.49Å; L735-I739 PolarHBondContact O-N 3.47Å; E736-I739 PolarHBondContact O-N 3.43Å; I739-I741 PolarHBondContact O-N 3.25Å; I739-S742 WeakPolarHBondContact O-CB 3.34Å; I739-S742 PolarHBondContact O-N 2.88Å; I739-V743 HydrophobicContact CG2-CG2 4.19Å; I739-V743 WeakPolarHBondContact O-CG2 3.38Å; I739-V743 PolarHBondContact O-N 2.88Å |
| 740 | K | 85.8 | Confident | 83.2 | Confident | 137 Ų | 137 | 99.1 Ų | 99.1 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.8 | -49.7 | 177.6 | -175.9 | -179.6 | 177.5 | -176.3 | 0 | 112.1 | E736 E737 K738 S742 V743 D744 | E736-K740 WeakPolarHBondContact O-CB 3.43Å; E736-K740 PolarHBondContact O-N 3.08Å; E737-K740 PolarHBondContact O-N 3.26Å; K738-K740 VanDerWaalsContact C-N 3.35Å; K740-S742 VanDerWaalsContact C-N 3.3Å; K740-S742 PolarHBondContact O-N 3.43Å; K740-V743 PolarHBondContact O-N 3.39Å; K740-D744 WeakPolarHBondContact O-CB 3.47Å; K740-D744 VanDerWaalsContact O-CG 3.27Å; K740-D744 PolarHBondContact O-N 3.17Å |
| 741 | I | 88.5 | Confident | 83.2 | Confident | 84 Ų | 84 | 97.7 Ų | 97.7 | 43% | 0.431 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 177.9 | -67.5 | 166.6 | 0 | 0 | 0 | 111.2 | E737 K738 I739 Q745 | E737-I741 HydrophobicContact CG-CD1 4.12Å; E737-I741 WeakPolarHBondContact O-CG1 3.43Å; E737-I741 PolarHBondContact O-N 3.19Å; K738-I741 PolarHBondContact O-N 3.49Å; I739-I741 PolarHBondContact O-N 3.25Å; I741-Q745 VanDerWaalsContact O-CG 3.28Å; I741-Q745 WeakPolarHBondContact O-CG 3.38Å; I741-Q745 PolarHBondContact O-N 3.09Å; I741-Q745 VanDerWaalsContact O-N 3.08Å |
| 742 | S | 83.9 | Confident | 83.5 | Confident | 75 Ų | 75 | 96.7 Ų | 96.7 | 52% | 0.524 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 178.9 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | K738 I739 K740 K746 | K738-S742 WeakPolarHBondContact O-CB 3.45Å; K738-S742 PolarHBondContact O-N 3.2Å; I739-S742 WeakPolarHBondContact O-CB 3.34Å; I739-S742 PolarHBondContact O-N 2.88Å; K740-S742 VanDerWaalsContact C-N 3.3Å; K740-S742 PolarHBondContact O-N 3.43Å; S742-K746 PolarHBondContact O-N 3.37Å |
| 743 | V | 82.2 | Confident | 83.8 | Confident | 73 Ų | 73 | 97.4 Ų | 97.4 | 44% | 0.442 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -50.5 | 176.2 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | I739 K740 Q745 K746 T747 | I739-V743 HydrophobicContact CG2-CG2 4.19Å; I739-V743 WeakPolarHBondContact O-CG2 3.38Å; I739-V743 PolarHBondContact O-N 2.88Å; K740-V743 PolarHBondContact O-N 3.39Å; V743-Q745 VanDerWaalsContact C-N 3.28Å; V743-Q745 PolarHBondContact O-N 3.31Å; V743-K746 PolarHBondContact O-N 2.92Å; V743-T747 PolarHBondContact O-N 3.46Å; V743-T747 PolarHBondContact O-OG1 3.13Å |
| 744 | D | 85.1 | Confident | 83.7 | Confident | 84 Ų | 84 | 95.8 Ų | 95.8 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.5 | -42.3 | 179.7 | -70.4 | -18.3 | 0 | 0 | 0 | 111.7 | K740 K746 T747 V748 | K740-D744 WeakPolarHBondContact O-CB 3.47Å; K740-D744 VanDerWaalsContact O-CG 3.27Å; K740-D744 PolarHBondContact O-N 3.17Å; D744-K746 VanDerWaalsContact C-N 3.35Å; D744-K746 PolarHBondContact O-N 3.4Å; D744-T747 PolarHBondContact O-N 3.36Å; D744-V748 WeakPolarHBondContact O-CG2 3.49Å; D744-V748 PolarHBondContact O-N 3.17Å; D744-V748 VanDerWaalsContact O-N 3.12Å |
| 745 | Q | 83.8 | Confident | 83.7 | Confident | 136 Ų | 136 | 95.2 Ų | 95.2 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 175.8 | -75.5 | 175.3 | 6.1 | 0 | 0 | 112.8 | I741 V743 A749 | I741-Q745 VanDerWaalsContact O-CG 3.28Å; I741-Q745 WeakPolarHBondContact O-CG 3.38Å; I741-Q745 PolarHBondContact O-N 3.09Å; I741-Q745 VanDerWaalsContact O-N 3.08Å; V743-Q745 VanDerWaalsContact C-N 3.28Å; V743-Q745 PolarHBondContact O-N 3.31Å; Q745-A749 PolarHBondContact O-N 2.92Å |
| 746 | K | 86.7 | Confident | 84.2 | Confident | 128 Ų | 128 | 94.4 Ų | 94.4 | 56% | 0.557 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -76.3 | -35.6 | -179 | -165.5 | 61.8 | 178.3 | 171 | 0 | 112.1 | S742 V743 D744 A749 L750 | S742-K746 PolarHBondContact O-N 3.37Å; V743-K746 PolarHBondContact O-N 2.92Å; D744-K746 VanDerWaalsContact C-N 3.35Å; D744-K746 PolarHBondContact O-N 3.4Å; K746-A749 PolarHBondContact O-N 3.19Å; K746-L750 HydrophobicContact CG-CD1 4.44Å; K746-L750 WeakPolarHBondContact O-CG 3.49Å; K746-L750 PolarHBondContact O-N 2.93Å |
| 747 | T | 81.1 | Confident | 84.5 | Confident | 62 Ų | 62 | 95.6 Ų | 95.6 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 174.1 | -48.9 | 0 | 0 | 0 | 0 | 110.8 | V743 D744 A749 L750 E751 | V743-T747 PolarHBondContact O-N 3.46Å; V743-T747 PolarHBondContact O-OG1 3.13Å; D744-T747 PolarHBondContact O-N 3.36Å; T747-A749 VanDerWaalsContact C-N 3.28Å; T747-A749 PolarHBondContact O-N 2.87Å; T747-L750 PolarHBondContact O-N 2.89Å; T747-E751 WeakPolarHBondContact O-CG 3.33Å; T747-E751 PolarHBondContact O-N 2.9Å |
| 748 | V | 87.9 | Confident | 84.4 | Confident | 80 Ų | 80 | 96.4 Ų | 96.4 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | D744 N752 | D744-V748 WeakPolarHBondContact O-CG2 3.49Å; D744-V748 PolarHBondContact O-N 3.17Å; D744-V748 VanDerWaalsContact O-N 3.12Å; V748-N752 PolarHBondContact O-N 3.36Å; V748-N752 PolarHBondContact O-ND2 3.08Å |
| 749 | A | 83.6 | Confident | 84.5 | Confident | 38 Ų | 38 | 97.1 Ų | 97.1 | 31% | 0.314 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q745 K746 T747 N752 E753 | Q745-A749 PolarHBondContact O-N 2.92Å; K746-A749 PolarHBondContact O-N 3.19Å; T747-A749 VanDerWaalsContact C-N 3.28Å; T747-A749 PolarHBondContact O-N 2.87Å; A749-N752 PolarHBondContact O-N 3.05Å; A749-E753 PolarHBondContact O-N 3.46Å; A749-E753 VanDerWaalsContact O-N 3.16Å |
| 750 | L | 82.6 | Confident | 84.8 | Confident | 92 Ų | 92 | 96.2 Ų | 96.2 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.2 | -37.6 | 178.5 | -73.1 | 169.8 | 0 | 0 | 0 | 112.5 | K746 T747 N752 E753 L754 | K746-L750 HydrophobicContact CG-CD1 4.44Å; K746-L750 WeakPolarHBondContact O-CG 3.49Å; K746-L750 PolarHBondContact O-N 2.93Å; T747-L750 PolarHBondContact O-N 2.89Å; L750-N752 VanDerWaalsContact C-N 3.32Å; L750-N752 PolarHBondContact O-N 3.18Å; L750-E753 PolarHBondContact O-N 3.38Å; L750-L754 WeakPolarHBondContact O-CB 3.5Å; L750-L754 PolarHBondContact O-N 3.41Å |
| 751 | E | 83.5 | Confident | 84.5 | Confident | 113 Ų | 113 | 93.7 Ų | 93.7 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 174.2 | -75.1 | 176 | 168.4 | 0 | 0 | 111.4 | T747 L754 T755 | T747-E751 WeakPolarHBondContact O-CG 3.33Å; T747-E751 PolarHBondContact O-N 2.9Å; E751-L754 PolarHBondContact O-N 3.27Å; E751-T755 WeakPolarHBondContact O-CG2 3.46Å; E751-T755 PolarHBondContact O-N 2.86Å |
| 752 | N | 86.8 | Confident | 84.4 | Confident | 96 Ų | 96 | 92.3 Ų | 92.3 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 175.6 | -70.7 | -39.2 | 0 | 0 | 0 | 111.6 | V748 A749 L750 L754 T755 T756 | V748-N752 PolarHBondContact O-N 3.36Å; V748-N752 PolarHBondContact O-ND2 3.08Å; A749-N752 PolarHBondContact O-N 3.05Å; L750-N752 VanDerWaalsContact C-N 3.32Å; L750-N752 PolarHBondContact O-N 3.18Å; N752-L754 PolarHBondContact O-N 3.44Å; N752-T755 PolarHBondContact O-N 3.02Å; N752-T755 PolarHBondContact O-OG1 2.84Å; N752-T756 WeakPolarHBondContact O-CG2 3.35Å; N752-T756 PolarHBondContact O-N 2.95Å; N752-T756 VanDerWaalsContact O-N 3.17Å |
| 753 | E | 85.4 | Confident | 84.5 | Confident | 112 Ų | 112 | 94.7 Ų | 94.7 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 175.6 | -74.9 | 177.5 | -177.3 | 0 | 0 | 112.1 | A749 L750 T755 T756 L757 | A749-E753 PolarHBondContact O-N 3.46Å; A749-E753 VanDerWaalsContact O-N 3.16Å; L750-E753 PolarHBondContact O-N 3.38Å; E753-T755 VanDerWaalsContact C-N 3.34Å; E753-T755 PolarHBondContact O-N 3.45Å; E753-T756 PolarHBondContact O-N 3.45Å; E753-T756 PolarHBondContact O-OG1 3.44Å; E753-L757 PolarHBondContact O-N 2.94Å |
| 754 | L | 79.7 | Confident | 84.6 | Confident | 92 Ų | 92 | 96.1 Ų | 96.1 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 177.1 | -175.4 | 66.3 | 0 | 0 | 0 | 112.1 | L750 E751 N752 L757 K758 | L750-L754 WeakPolarHBondContact O-CB 3.5Å; L750-L754 PolarHBondContact O-N 3.41Å; E751-L754 PolarHBondContact O-N 3.27Å; N752-L754 PolarHBondContact O-N 3.44Å; L754-L757 PolarHBondContact O-N 3.42Å; L754-K758 HydrophobicContact CG-CD 4.49Å; L754-K758 WeakPolarHBondContact O-CG 3.42Å; L754-K758 PolarHBondContact O-N 3.49Å |
| 755 | T | 86 | Confident | 84.5 | Confident | 74 Ų | 74 | 97.7 Ų | 97.7 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 175.9 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | E751 N752 E753 L757 K758 E759 | E751-T755 WeakPolarHBondContact O-CG2 3.46Å; E751-T755 PolarHBondContact O-N 2.86Å; N752-T755 PolarHBondContact O-N 3.02Å; N752-T755 PolarHBondContact O-OG1 2.84Å; E753-T755 VanDerWaalsContact C-N 3.34Å; E753-T755 PolarHBondContact O-N 3.45Å; T755-L757 VanDerWaalsContact C-N 3.34Å; T755-L757 PolarHBondContact O-N 3.19Å; T755-K758 PolarHBondContact O-N 2.76Å; T755-E759 PolarHBondContact O-N 3.24Å; T755-E759 VanDerWaalsContact O-N 3.11Å |
| 756 | T | 86.4 | Confident | 84.6 | Confident | 71 Ų | 71 | 96 Ų | 96 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -35.9 | 177.4 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | N752 E753 E759 N760 | N752-T756 WeakPolarHBondContact O-CG2 3.35Å; N752-T756 PolarHBondContact O-N 2.95Å; N752-T756 VanDerWaalsContact O-N 3.17Å; E753-T756 PolarHBondContact O-N 3.45Å; E753-T756 PolarHBondContact O-OG1 3.44Å; T756-E759 PolarHBondContact O-N 3.18Å; T756-N760 PolarHBondContact O-N 2.98Å; T756-N760 VanDerWaalsContact O-N 3.14Å; T756-N760 PolarHBondContact O-ND2 3.36Å |
| 757 | L | 83.3 | Confident | 84.8 | Confident | 110 Ų | 110 | 93.2 Ų | 93.2 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.8 | -38.9 | 175.7 | -86.2 | 161.2 | 0 | 0 | 0 | 112 | E753 L754 T755 N760 N761 | E753-L757 PolarHBondContact O-N 2.94Å; L754-L757 PolarHBondContact O-N 3.42Å; T755-L757 VanDerWaalsContact C-N 3.34Å; T755-L757 PolarHBondContact O-N 3.19Å; L757-N760 PolarHBondContact O-N 3.16Å; L757-N761 WeakPolarHBondContact O-CB 3.39Å; L757-N761 PolarHBondContact O-N 3.47Å |
| 758 | K | 85.1 | Confident | 85 | Confident | 136 Ų | 136 | 94.9 Ų | 94.9 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -40.7 | 175.7 | -75.9 | 177.6 | 176.4 | 179.1 | 0 | 112.3 | L754 T755 N761 A762 | L754-K758 HydrophobicContact CG-CD 4.49Å; L754-K758 WeakPolarHBondContact O-CG 3.42Å; L754-K758 PolarHBondContact O-N 3.49Å; T755-K758 PolarHBondContact O-N 2.76Å; K758-N761 PolarHBondContact O-N 3.15Å; K758-A762 PolarHBondContact O-N 3.01Å |
| 759 | E | 87.4 | Confident | 84.8 | Confident | 138 Ų | 138 | 91.8 Ų | 91.8 | 65% | 0.645 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 175.4 | -71 | 177.7 | 169 | 0 | 0 | 111.5 | T755 T756 N761 A762 E763 | T755-E759 PolarHBondContact O-N 3.24Å; T755-E759 VanDerWaalsContact O-N 3.11Å; T756-E759 PolarHBondContact O-N 3.18Å; E759-N761 PolarHBondContact O-N 3.45Å; E759-A762 PolarHBondContact O-N 3.44Å; E759-E763 PolarHBondContact O-N 3.2Å; E759-E763 VanDerWaalsContact O-N 3.13Å |
| 760 | N | 86.2 | Confident | 85 | Confident | 89 Ų | 89 | 93.2 Ų | 93.2 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 175.9 | -69.7 | -20.6 | 0 | 0 | 0 | 112.5 | T756 L757 E763 L764 | T756-N760 PolarHBondContact O-N 2.98Å; T756-N760 VanDerWaalsContact O-N 3.14Å; T756-N760 PolarHBondContact O-ND2 3.36Å; L757-N760 PolarHBondContact O-N 3.16Å; N760-E763 PolarHBondContact O-N 3.35Å; N760-L764 WeakPolarHBondContact O-CG 3.38Å; N760-L764 PolarHBondContact O-N 2.92Å |
| 761 | N | 79.7 | Confident | 85.1 | Confident | 85 Ų | 85 | 97.7 Ų | 97.7 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 178.3 | -161.5 | 60.2 | 0 | 0 | 0 | 111.7 | L757 K758 E759 E763 L764 E765 | L757-N761 WeakPolarHBondContact O-CB 3.39Å; L757-N761 PolarHBondContact O-N 3.47Å; K758-N761 PolarHBondContact O-N 3.15Å; E759-N761 PolarHBondContact O-N 3.45Å; N761-E763 VanDerWaalsContact C-N 3.27Å; N761-E763 PolarHBondContact O-N 3.07Å; N761-L764 PolarHBondContact O-N 3.26Å; N761-L764 VanDerWaalsContact O-N 3.15Å; N761-E765 PolarHBondContact ND2-OE1 2.97Å; N761-E765 WeakPolarHBondContact O-CG 3.36Å; N761-E765 PolarHBondContact O-N 3.49Å |
| 762 | A | 85.1 | Confident | 85.1 | Confident | 54 Ų | 54 | 98.4 Ų | 98.4 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -35.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K758 E759 N766 | K758-A762 PolarHBondContact O-N 3.01Å; E759-A762 PolarHBondContact O-N 3.44Å; A762-N766 WeakPolarHBondContact O-CB 3.5Å; A762-N766 PolarHBondContact O-N 3.3Å; A762-N766 VanDerWaalsContact O-N 3.16Å |
| 763 | E | 86.6 | Confident | 85.2 | Confident | 125 Ų | 125 | 100.2 Ų | 100.2 | 58% | 0.584 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 173.2 | -171.5 | 175.9 | -177.5 | 0 | 0 | 112 | E759 N760 N761 N766 N767 | E759-E763 PolarHBondContact O-N 3.2Å; E759-E763 VanDerWaalsContact O-N 3.13Å; N760-E763 PolarHBondContact O-N 3.35Å; N761-E763 VanDerWaalsContact C-N 3.27Å; N761-E763 PolarHBondContact O-N 3.07Å; E763-N766 PolarHBondContact O-N 2.99Å; E763-N767 PolarHBondContact O-N 2.87Å; E763-N767 PolarHBondContact O-ND2 2.93Å; E763-N767 VanDerWaalsContact O-ND2 3.16Å |
| 764 | L | 83.6 | Confident | 85.3 | Confident | 103 Ų | 103 | 100.3 Ų | 100.3 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 176.7 | -72.2 | 171.9 | 0 | 0 | 0 | 112.6 | N760 N761 N766 N767 I768 | N760-L764 WeakPolarHBondContact O-CG 3.38Å; N760-L764 PolarHBondContact O-N 2.92Å; N761-L764 PolarHBondContact O-N 3.26Å; N761-L764 VanDerWaalsContact O-N 3.15Å; L764-N766 VanDerWaalsContact C-N 3.31Å; L764-N766 PolarHBondContact O-N 3.47Å; L764-N767 WeakPolarHBondContact O-CB 3.37Å; L764-N767 PolarHBondContact O-N 3.29Å; L764-N767 VanDerWaalsContact O-N 3.15Å; L764-I768 WeakPolarHBondContact O-CG1 3.34Å; L764-I768 PolarHBondContact O-N 2.86Å |
| 765 | E | 84 | Confident | 85.3 | Confident | 118 Ų | 118 | 101.4 Ų | 101.4 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.3 | -42.5 | 175.4 | -75.1 | 173.9 | -175.2 | 0 | 0 | 111.6 | N761 N767 I768 G769 | N761-E765 PolarHBondContact ND2-OE1 2.97Å; N761-E765 WeakPolarHBondContact O-CG 3.36Å; N761-E765 PolarHBondContact O-N 3.49Å; E765-N767 VanDerWaalsContact C-N 3.3Å; E765-N767 PolarHBondContact O-N 2.98Å; E765-I768 PolarHBondContact O-N 3.26Å; E765-G769 PolarHBondContact O-N 3.36Å |
| 766 | N | 87 | Confident | 85.4 | Confident | 99 Ų | 99 | 104.8 Ų | 104.8 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65 | -36.2 | 177.3 | -157.3 | 11.8 | 0 | 0 | 0 | 111.7 | A762 E763 L764 N770 | A762-N766 WeakPolarHBondContact O-CB 3.5Å; A762-N766 PolarHBondContact O-N 3.3Å; A762-N766 VanDerWaalsContact O-N 3.16Å; E763-N766 PolarHBondContact O-N 2.99Å; L764-N766 VanDerWaalsContact C-N 3.31Å; L764-N766 PolarHBondContact O-N 3.47Å; N766-N770 PolarHBondContact O-N 3.16Å; N766-N770 VanDerWaalsContact O-N 3.11Å; N766-N770 PolarHBondContact O-ND2 3.5Å |
| 767 | N | 89.1 | Confident | 85.5 | Confident | 70 Ų | 70 | 106.6 Ų | 106.6 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 173 | -73.6 | -36 | 0 | 0 | 0 | 112.2 | E763 L764 E765 N770 W771 | E763-N767 PolarHBondContact O-N 2.87Å; E763-N767 PolarHBondContact O-ND2 2.93Å; E763-N767 VanDerWaalsContact O-ND2 3.16Å; L764-N767 WeakPolarHBondContact O-CB 3.37Å; L764-N767 PolarHBondContact O-N 3.29Å; L764-N767 VanDerWaalsContact O-N 3.15Å; E765-N767 VanDerWaalsContact C-N 3.3Å; E765-N767 PolarHBondContact O-N 2.98Å; N767-N770 WeakPolarHBondContact O-CB 3.24Å; N767-N770 PolarHBondContact O-N 3.03Å; N767-W771 PolarHBondContact O-N 3.02Å |
| 768 | I | 85.7 | Confident | 85.7 | Confident | 97 Ų | 97 | 106.9 Ų | 106.9 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 175.7 | -68.5 | 167.2 | 0 | 0 | 0 | 110.3 | L764 E765 N770 W771 E772 | L764-I768 WeakPolarHBondContact O-CG1 3.34Å; L764-I768 PolarHBondContact O-N 2.86Å; E765-I768 PolarHBondContact O-N 3.26Å; I768-N770 PolarHBondContact O-N 3.31Å; I768-W771 CarbonylContact O-C 3.47Å; I768-W771 WeakPolarHBondContact O-CA 3.47Å; I768-W771 WeakPolarHBondContact O-CB 3.48Å; I768-W771 PolarHBondContact O-N 2.92Å; I768-E772 HydrophobicContact CG2-CG 4.33Å; I768-E772 WeakPolarHBondContact O-CG 3.28Å; I768-E772 PolarHBondContact O-N 3.44Å |
| 769 | G | 84.2 | Confident | 85.6 | Confident | 15 Ų | 15 | 104.6 Ų | 104.6 | 16% | 0.155 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -60.4 | -31.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E765 R773 | E765-G769 PolarHBondContact O-N 3.36Å; G769-R773 WeakPolarHBondContact O-CG 3.41Å; G769-R773 PolarHBondContact O-N 3.28Å; G769-R773 PolarHBondContact O-NH1 3.21Å |
| 770 | N | 87.2 | Confident | 85.7 | Confident | 68 Ų | 68 | 102.2 Ų | 102.2 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68 | -42.1 | 171.6 | -67.9 | -23.3 | 0 | 0 | 0 | 112.1 | N766 N767 I768 R773 H774 | N766-N770 PolarHBondContact O-N 3.16Å; N766-N770 VanDerWaalsContact O-N 3.11Å; N766-N770 PolarHBondContact O-ND2 3.5Å; N767-N770 WeakPolarHBondContact O-CB 3.24Å; N767-N770 PolarHBondContact O-N 3.03Å; I768-N770 PolarHBondContact O-N 3.31Å; N770-R773 PolarHBondContact O-N 3.01Å; N770-R773 PolarHBondContact OD1-NH1 3.02Å; N770-H774 PolarHBondContact O-CD2 3.48Å; N770-H774 PolarHBondContact O-N 3.49Å |
| 771 | W | 84.8 | Confident | 85.8 | Confident | 186 Ų | 186 | 107.2 Ų | 107.2 | 71% | 0.705 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -38.8 | 175.2 | -74.6 | 112.1 | 0 | 0 | 0 | 112.7 | N767 I768 H774 L775 | N767-W771 PolarHBondContact O-N 3.02Å; I768-W771 CarbonylContact O-C 3.47Å; I768-W771 WeakPolarHBondContact O-CA 3.47Å; I768-W771 WeakPolarHBondContact O-CB 3.48Å; I768-W771 PolarHBondContact O-N 2.92Å; W771-H774 PolarHBondContact O-N 3.48Å; W771-L775 PolarHBondContact O-N 2.86Å |
| 772 | E | 84.5 | Confident | 86.2 | Confident | 128 Ų | 128 | 106.4 Ų | 106.4 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -43.4 | 176.1 | -72 | 176 | 161.2 | 0 | 0 | 112.1 | I768 H774 L775 F776 | I768-E772 HydrophobicContact CG2-CG 4.33Å; I768-E772 WeakPolarHBondContact O-CG 3.28Å; I768-E772 PolarHBondContact O-N 3.44Å; E772-H774 PolarHBondContact O-N 2.86Å; E772-L775 PolarHBondContact O-N 3.44Å; E772-F776 PolarHBondContact O-N 2.87Å |
| 773 | R | 88.4 | Confident | 86.2 | Confident | 135 Ų | 135 | 107.5 Ų | 107.5 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 174.5 | -70.6 | -172.4 | -144.9 | 90.9 | 3 | 111.8 | G769 N770 L775 F776 E777 | G769-R773 WeakPolarHBondContact O-CG 3.41Å; G769-R773 PolarHBondContact O-N 3.28Å; G769-R773 PolarHBondContact O-NH1 3.21Å; N770-R773 PolarHBondContact O-N 3.01Å; N770-R773 PolarHBondContact OD1-NH1 3.02Å; R773-L775 VanDerWaalsContact C-N 3.3Å; R773-L775 PolarHBondContact O-N 3.43Å; R773-F776 PolarHBondContact O-N 3.31Å; R773-E777 WeakPolarHBondContact O-CG 3.35Å; R773-E777 PolarHBondContact O-N 3.46Å |
| 774 | H | 87.2 | Confident | 86.4 | Confident | 114 Ų | 114 | 105.4 Ų | 105.4 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 175.8 | -79.7 | -153 | 0 | 0 | 0 | 112.2 | N770 W771 E772 L778 | N770-H774 PolarHBondContact O-CD2 3.48Å; N770-H774 PolarHBondContact O-N 3.49Å; W771-H774 PolarHBondContact O-N 3.48Å; E772-H774 PolarHBondContact O-N 2.86Å; H774-L778 PolarHBondContact O-N 3.25Å; H774-L778 VanDerWaalsContact O-N 3.1Å |
| 775 | L | 80.8 | Confident | 86.7 | Confident | 115 Ų | 115 | 105.4 Ų | 105.4 | 60% | 0.602 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.8 | -41.1 | 177.4 | -152.1 | 102.8 | 0 | 0 | 0 | 111.5 | W771 E772 R773 L778 N779 | W771-L775 PolarHBondContact O-N 2.86Å; E772-L775 PolarHBondContact O-N 3.44Å; R773-L775 VanDerWaalsContact C-N 3.3Å; R773-L775 PolarHBondContact O-N 3.43Å; L775-L778 PolarHBondContact O-N 3.12Å; L775-N779 PolarHBondContact O-N 3.47Å |
| 776 | F | 87.5 | Confident | 86.9 | Confident | 145 Ų | 145 | 107.7 Ų | 107.7 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.4 | -45.4 | 175.9 | -177.1 | -92.6 | 0 | 0 | 0 | 111.8 | E772 R773 L778 N779 Q780 | E772-F776 PolarHBondContact O-N 2.87Å; R773-F776 PolarHBondContact O-N 3.31Å; F776-L778 PolarHBondContact O-N 2.95Å; F776-N779 PolarHBondContact O-N 2.99Å; F776-Q780 PolarHBondContact O-N 2.85Å |
| 777 | E | 88.7 | Confident | 87 | Confident | 109 Ų | 109 | 107.7 Ų | 107.7 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57 | -50.5 | 174.3 | -73.8 | 175.9 | -168.8 | 0 | 0 | 110.7 | R773 N779 Q780 W781 | R773-E777 WeakPolarHBondContact O-CG 3.35Å; R773-E777 PolarHBondContact O-N 3.46Å; E777-N779 VanDerWaalsContact C-N 3.33Å; E777-N779 PolarHBondContact O-N 3.47Å; E777-Q780 WeakPolarHBondContact O-CB 3.42Å; E777-Q780 PolarHBondContact O-N 3.17Å; E777-Q780 VanDerWaalsContact O-N 3.14Å; E777-W781 PolarHBondContact O-N 3.42Å |
| 778 | L | 87.8 | Confident | 86.9 | Confident | 115 Ų | 115 | 107 Ų | 107 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -56.5 | -42.2 | 177.5 | -104.7 | 150.5 | 0 | 0 | 0 | 113.2 | H774 L775 F776 W781 V782 | H774-L778 PolarHBondContact O-N 3.25Å; H774-L778 VanDerWaalsContact O-N 3.1Å; L775-L778 PolarHBondContact O-N 3.12Å; F776-L778 PolarHBondContact O-N 2.95Å; L778-W781 PolarHBondContact O-N 2.98Å; L778-V782 WeakPolarHBondContact O-CG2 3.45Å; L778-V782 PolarHBondContact O-N 3.43Å; L778-V782 VanDerWaalsContact O-N 3.09Å |
| 779 | N | 82.8 | Confident | 87 | Confident | 88 Ų | 88 | 108.2 Ų | 108.2 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 176.6 | -78.2 | -28.4 | 0 | 0 | 0 | 112.1 | L775 F776 E777 W781 V782 D783 | L775-N779 PolarHBondContact O-N 3.47Å; F776-N779 PolarHBondContact O-N 2.99Å; E777-N779 VanDerWaalsContact C-N 3.33Å; E777-N779 PolarHBondContact O-N 3.47Å; N779-W781 VanDerWaalsContact C-N 3.33Å; N779-W781 PolarHBondContact O-N 2.97Å; N779-V782 WeakPolarHBondContact O-CB 3.35Å; N779-V782 PolarHBondContact O-N 2.9Å; N779-V782 VanDerWaalsContact O-N 3.12Å; N779-D783 PolarHBondContact O-N 3.11Å |
| 780 | Q | 88.9 | Confident | 87.1 | Confident | 89 Ų | 89 | 113.1 Ų | 113.1 | 42% | 0.416 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.5 | -174.5 | 65 | 55.6 | 0 | 0 | 111.5 | F776 E777 V782 D783 D784 | F776-Q780 PolarHBondContact O-N 2.85Å; E777-Q780 WeakPolarHBondContact O-CB 3.42Å; E777-Q780 PolarHBondContact O-N 3.17Å; E777-Q780 VanDerWaalsContact O-N 3.14Å; Q780-V782 VanDerWaalsContact C-N 3.28Å; Q780-V782 PolarHBondContact O-N 2.95Å; Q780-D783 PolarHBondContact O-N 2.89Å; Q780-D784 PolarHBondContact NE2-OD1 3.41Å; Q780-D784 VanDerWaalsContact O-CG 3.24Å; Q780-D784 PolarHBondContact O-N 3.4Å |
| 781 | W | 89.3 | Confident | 87.3 | Confident | 193 Ų | 193 | 115.7 Ų | 115.7 | 73% | 0.731 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.9 | -37.7 | 174.8 | -78.5 | 96.5 | 0 | 0 | 0 | 112.5 | E777 L778 N779 E785 | E777-W781 PolarHBondContact O-N 3.42Å; L778-W781 PolarHBondContact O-N 2.98Å; N779-W781 VanDerWaalsContact C-N 3.33Å; N779-W781 PolarHBondContact O-N 2.97Å; W781-E785 PolarHBondContact O-N 2.91Å; W781-E785 VanDerWaalsContact O-N 3.09Å |
| 782 | V | 87.1 | Confident | 87.4 | Confident | 69 Ų | 69 | 112.4 Ų | 112.4 | 42% | 0.418 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 177.3 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | L778 N779 Q780 E785 R786 | L778-V782 WeakPolarHBondContact O-CG2 3.45Å; L778-V782 PolarHBondContact O-N 3.43Å; L778-V782 VanDerWaalsContact O-N 3.09Å; N779-V782 WeakPolarHBondContact O-CB 3.35Å; N779-V782 PolarHBondContact O-N 2.9Å; N779-V782 VanDerWaalsContact O-N 3.12Å; Q780-V782 VanDerWaalsContact C-N 3.28Å; Q780-V782 PolarHBondContact O-N 2.95Å; V782-E785 PolarHBondContact O-N 3.32Å; V782-R786 PolarHBondContact O-N 3.46Å |
| 783 | D | 86.1 | Confident | 87.4 | Confident | 77 Ų | 77 | 111.6 Ų | 111.6 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.5 | -40.5 | 177.6 | -74.9 | -25.9 | 0 | 0 | 0 | 112.1 | N779 Q780 E785 R786 E787 | N779-D783 PolarHBondContact O-N 3.11Å; Q780-D783 PolarHBondContact O-N 2.89Å; D783-E785 VanDerWaalsContact C-N 3.28Å; D783-E785 PolarHBondContact O-N 3.26Å; D783-R786 WeakPolarHBondContact O-CB 3.36Å; D783-R786 PolarHBondContact O-N 3.21Å; D783-R786 VanDerWaalsContact O-N 3.11Å; D783-E787 PolarHBondContact O-N 3.19Å |
| 784 | D | 90.5 | Very high | 87.4 | Confident | 80 Ų | 80 | 108.8 Ų | 108.8 | 43% | 0.428 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 173.3 | -68.8 | -5.6 | 0 | 0 | 0 | 111.1 | Q780 A788 | Q780-D784 PolarHBondContact NE2-OD1 3.41Å; Q780-D784 VanDerWaalsContact O-CG 3.24Å; Q780-D784 PolarHBondContact O-N 3.4Å; D784-A788 WeakPolarHBondContact O-CB 3.46Å; D784-A788 PolarHBondContact O-N 3.4Å |
| 785 | E | 89.3 | Confident | 87.5 | Confident | 104 Ų | 104 | 109.2 Ų | 109.2 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 174.3 | -167.5 | -170.6 | 165.5 | 0 | 0 | 111.7 | W781 V782 D783 A788 K789 | W781-E785 PolarHBondContact O-N 2.91Å; W781-E785 VanDerWaalsContact O-N 3.09Å; V782-E785 PolarHBondContact O-N 3.32Å; D783-E785 VanDerWaalsContact C-N 3.28Å; D783-E785 PolarHBondContact O-N 3.26Å; E785-A788 PolarHBondContact O-N 2.92Å; E785-K789 WeakPolarHBondContact O-CG 3.09Å; E785-K789 PolarHBondContact O-N 2.91Å; E785-K789 WeakPolarHBondContact OE1-CE 3.44Å; E785-K789 IonicContact OE1-NZ 2.7Å; E785-K789 PolarHBondContact OE1-NZ 3.03Å |
| 786 | R | 87.6 | Confident | 87.7 | Confident | 166 Ų | 166 | 106.6 Ų | 106.6 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63 | -46.7 | 176.4 | -173.4 | -172.3 | -64.7 | -169.7 | 3.2 | 111.2 | V782 D783 A788 K789 E790 | V782-R786 PolarHBondContact O-N 3.46Å; D783-R786 WeakPolarHBondContact O-CB 3.36Å; D783-R786 PolarHBondContact O-N 3.21Å; D783-R786 VanDerWaalsContact O-N 3.11Å; R786-A788 VanDerWaalsContact C-N 3.34Å; R786-A788 PolarHBondContact O-N 3.34Å; R786-K789 PolarHBondContact O-N 3Å; R786-E790 PolarHBondContact O-N 3.41Å |
| 787 | E | 89.2 | Confident | 87.5 | Confident | 99 Ų | 99 | 103.8 Ų | 103.8 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 179.3 | -163.5 | -163.8 | 171.1 | 0 | 0 | 111.4 | D783 K789 E790 K791 | D783-E787 PolarHBondContact O-N 3.19Å; E787-K789 VanDerWaalsContact C-N 3.35Å; E787-K789 PolarHBondContact O-N 3.48Å; E787-E790 PolarHBondContact O-N 3.36Å; E787-K791 WeakPolarHBondContact O-CG 3.42Å; E787-K791 PolarHBondContact O-N 2.67Å; E787-K791 WeakPolarHBondContact OE1-CE 3.43Å; E787-K791 IonicContact OE1-NZ 3.76Å; E787-K791 PolarHBondContact OE1-NZ 3.4Å; E787-K791 IonicContact OE2-NZ 3.84Å; E787-K791 PolarHBondContact OE2-NZ 2.88Å |
| 788 | A | 88.3 | Confident | 87.4 | Confident | 56 Ų | 56 | 107.1 Ų | 107.1 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D784 E785 R786 K791 L792 | D784-A788 WeakPolarHBondContact O-CB 3.46Å; D784-A788 PolarHBondContact O-N 3.4Å; E785-A788 PolarHBondContact O-N 2.92Å; R786-A788 VanDerWaalsContact C-N 3.34Å; R786-A788 PolarHBondContact O-N 3.34Å; A788-K791 PolarHBondContact O-N 2.9Å; A788-L792 PolarHBondContact O-N 3.01Å |
| 789 | K | 88 | Confident | 87.2 | Confident | 122 Ų | 122 | 105.2 Ų | 105.2 | 53% | 0.53 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176 | -76.7 | 175.5 | -176.5 | 166.2 | 0 | 112.3 | E785 R786 E787 L792 H793 | E785-K789 WeakPolarHBondContact O-CG 3.09Å; E785-K789 PolarHBondContact O-N 2.91Å; E785-K789 WeakPolarHBondContact OE1-CE 3.44Å; E785-K789 IonicContact OE1-NZ 2.7Å; E785-K789 PolarHBondContact OE1-NZ 3.03Å; R786-K789 PolarHBondContact O-N 3Å; E787-K789 VanDerWaalsContact C-N 3.35Å; E787-K789 PolarHBondContact O-N 3.48Å; K789-L792 PolarHBondContact O-N 3.46Å; K789-H793 WeakPolarHBondContact O-CB 3.4Å; K789-H793 PolarHBondContact O-N 2.68Å |
| 790 | E | 86.4 | Confident | 87.2 | Confident | 118 Ų | 118 | 104 Ų | 104 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.1 | -43.4 | 177.1 | -173.1 | 174.9 | -178.5 | 0 | 0 | 111.7 | R786 E787 L792 H793 N794 | R786-E790 PolarHBondContact O-N 3.41Å; E787-E790 PolarHBondContact O-N 3.36Å; E790-L792 VanDerWaalsContact C-N 3.31Å; E790-L792 PolarHBondContact O-N 2.98Å; E790-H793 PolarHBondContact O-N 3.25Å; E790-N794 WeakPolarHBondContact O-CB 3.39Å; E790-N794 PolarHBondContact O-N 3.31Å; E790-N794 PolarHBondContact O-ND2 3.01Å |
| 791 | K | 90.9 | Very high | 86.8 | Confident | 122 Ų | 122 | 103.1 Ų | 103.1 | 53% | 0.53 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.2 | -43.3 | 173.4 | -73.5 | 170.5 | -176.4 | 162.3 | 0 | 111.7 | E787 A788 N794 F795 | E787-K791 WeakPolarHBondContact O-CG 3.42Å; E787-K791 PolarHBondContact O-N 2.67Å; E787-K791 WeakPolarHBondContact OE1-CE 3.43Å; E787-K791 IonicContact OE1-NZ 3.76Å; E787-K791 PolarHBondContact OE1-NZ 3.4Å; E787-K791 IonicContact OE2-NZ 3.84Å; E787-K791 PolarHBondContact OE2-NZ 2.88Å; A788-K791 PolarHBondContact O-N 2.9Å; K791-N794 PolarHBondContact O-N 2.94Å; K791-F795 WeakPolarHBondContact O-CB 3.47Å; K791-F795 PolarHBondContact O-N 3.3Å |
| 792 | L | 87 | Confident | 86.5 | Confident | 117 Ų | 117 | 99.5 Ų | 99.5 | 61% | 0.613 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.7 | -40.4 | 177 | -167.7 | 73.2 | 0 | 0 | 0 | 111.9 | A788 K789 E790 F795 T796 | A788-L792 PolarHBondContact O-N 3.01Å; K789-L792 PolarHBondContact O-N 3.46Å; E790-L792 VanDerWaalsContact C-N 3.31Å; E790-L792 PolarHBondContact O-N 2.98Å; L792-F795 PolarHBondContact O-N 3.39Å; L792-T796 WeakPolarHBondContact O-CB 3.38Å; L792-T796 PolarHBondContact O-N 3.25Å; L792-T796 PolarHBondContact O-OG1 3.09Å |
| 793 | H | 84.7 | Confident | 86.1 | Confident | 110 Ų | 110 | 101.4 Ų | 101.4 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 176.3 | -175 | 73.1 | 0 | 0 | 0 | 111.5 | K789 E790 F795 T796 M797 | K789-H793 WeakPolarHBondContact O-CB 3.4Å; K789-H793 PolarHBondContact O-N 2.68Å; E790-H793 PolarHBondContact O-N 3.25Å; H793-F795 VanDerWaalsContact C-N 3.35Å; H793-F795 PolarHBondContact O-N 2.9Å; H793-T796 WeakPolarHBondContact O-CB 3.41Å; H793-T796 PolarHBondContact O-N 2.92Å; H793-T796 VanDerWaalsContact O-N 3.11Å; H793-M797 WeakPolarHBondContact O-CG 3.38Å; H793-M797 PolarHBondContact O-N 3.27Å |
| 794 | N | 87.9 | Confident | 85.6 | Confident | 77 Ų | 77 | 101.4 Ų | 101.4 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 177.2 | -74.8 | -31.3 | 0 | 0 | 0 | 112.6 | E790 K791 T796 M797 R798 | E790-N794 WeakPolarHBondContact O-CB 3.39Å; E790-N794 PolarHBondContact O-N 3.31Å; E790-N794 PolarHBondContact O-ND2 3.01Å; K791-N794 PolarHBondContact O-N 2.94Å; N794-T796 VanDerWaalsContact C-N 3.33Å; N794-M797 PolarHBondContact O-N 3.38Å; N794-R798 WeakPolarHBondContact O-CG 3.39Å; N794-R798 PolarHBondContact O-N 3.09Å; N794-R798 VanDerWaalsContact O-N 3.09Å |
| 795 | F | 89.3 | Confident | 85 | Confident | 122 Ų | 122 | 101.6 Ų | 101.6 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 173.2 | -179.7 | -105.5 | 0 | 0 | 0 | 111.6 | K791 L792 H793 R798 L799 | K791-F795 WeakPolarHBondContact O-CB 3.47Å; K791-F795 PolarHBondContact O-N 3.3Å; L792-F795 PolarHBondContact O-N 3.39Å; H793-F795 VanDerWaalsContact C-N 3.35Å; H793-F795 PolarHBondContact O-N 2.9Å; F795-R798 PolarHBondContact O-N 3.01Å; F795-L799 HydrophobicContact CD1-CD1 3.97Å; F795-L799 HydrophobicContact CE1-CD1 3.4Å; F795-L799 VanDerWaalsContact CE1-CD1 3.4Å; F795-L799 HydrophobicContact CE1-CG 4.2Å; F795-L799 HydrophobicContact CZ-CD1 3.76Å; F795-L799 HydrophobicContact CZ-CD2 4.44Å; F795-L799 HydrophobicContact CZ-CG 4.2Å; F795-L799 PolarHBondContact O-N 3.35Å; F795-L799 VanDerWaalsContact O-N 3.1Å |
| 796 | T | 83.9 | Confident | 84.3 | Confident | 61 Ų | 61 | 102 Ų | 102 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 177.6 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | L792 H793 N794 R798 L799 V800 | L792-T796 WeakPolarHBondContact O-CB 3.38Å; L792-T796 PolarHBondContact O-N 3.25Å; L792-T796 PolarHBondContact O-OG1 3.09Å; H793-T796 WeakPolarHBondContact O-CB 3.41Å; H793-T796 PolarHBondContact O-N 2.92Å; H793-T796 VanDerWaalsContact O-N 3.11Å; N794-T796 VanDerWaalsContact C-N 3.33Å; T796-R798 VanDerWaalsContact C-N 3.32Å; T796-R798 PolarHBondContact O-N 3.26Å; T796-L799 PolarHBondContact O-N 2.87Å; T796-V800 WeakPolarHBondContact O-CG2 3.14Å; T796-V800 PolarHBondContact O-N 3.38Å |
| 797 | M | 84.3 | Confident | 83.6 | Confident | 85 Ų | 85 | 103 Ų | 103 | 42% | 0.419 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -35.3 | 177.9 | -71.3 | -60.7 | 103 | 0 | 0 | 112.9 | H793 N794 S801 | H793-M797 WeakPolarHBondContact O-CG 3.38Å; H793-M797 PolarHBondContact O-N 3.27Å; N794-M797 PolarHBondContact O-N 3.38Å; M797-S801 WeakPolarHBondContact O-CB 3.39Å; M797-S801 PolarHBondContact O-N 3.47Å; M797-S801 PolarHBondContact O-OG 3.38Å |
| 798 | R | 86.2 | Confident | 82.7 | Confident | 180 Ų | 180 | 102.5 Ų | 102.5 | 68% | 0.679 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.7 | -47.1 | 172.7 | -75.1 | -179.2 | -176.9 | 166.4 | 2.7 | 111.8 | N794 F795 T796 V800 S801 E802 | N794-R798 WeakPolarHBondContact O-CG 3.39Å; N794-R798 PolarHBondContact O-N 3.09Å; N794-R798 VanDerWaalsContact O-N 3.09Å; F795-R798 PolarHBondContact O-N 3.01Å; T796-R798 VanDerWaalsContact C-N 3.32Å; T796-R798 PolarHBondContact O-N 3.26Å; R798-V800 VanDerWaalsContact C-N 3.33Å; R798-V800 PolarHBondContact O-N 2.91Å; R798-S801 PolarHBondContact O-N 3.45Å; R798-E802 WeakPolarHBondContact O-CG 3.49Å; R798-E802 PolarHBondContact O-N 3.36Å |
| 799 | L | 84.6 | Confident | 81.9 | Confident | 74 Ų | 74 | 103.9 Ų | 103.9 | 39% | 0.387 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 177.2 | -71.9 | 178.1 | 0 | 0 | 0 | 112.3 | F795 T796 E802 L803 | F795-L799 HydrophobicContact CD1-CD1 3.97Å; F795-L799 HydrophobicContact CE1-CD1 3.4Å; F795-L799 VanDerWaalsContact CE1-CD1 3.4Å; F795-L799 HydrophobicContact CE1-CG 4.2Å; F795-L799 HydrophobicContact CZ-CD1 3.76Å; F795-L799 HydrophobicContact CZ-CD2 4.44Å; F795-L799 HydrophobicContact CZ-CG 4.2Å; F795-L799 PolarHBondContact O-N 3.35Å; F795-L799 VanDerWaalsContact O-N 3.1Å; T796-L799 PolarHBondContact O-N 2.87Å; L799-E802 PolarHBondContact O-N 2.89Å; L799-L803 WeakPolarHBondContact O-CB 3Å; L799-L803 VanDerWaalsContact O-CG 3.26Å; L799-L803 WeakPolarHBondContact O-CG 3.43Å; L799-L803 PolarHBondContact O-N 3.33Å |
| 800 | V | 81.9 | Confident | 80 | Confident | 63 Ų | 63 | 101.1 Ų | 101.1 | 38% | 0.382 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | T796 R798 E802 L803 D804 | T796-V800 WeakPolarHBondContact O-CG2 3.14Å; T796-V800 PolarHBondContact O-N 3.38Å; R798-V800 VanDerWaalsContact C-N 3.33Å; R798-V800 PolarHBondContact O-N 2.91Å; V800-E802 PolarHBondContact O-N 2.97Å; V800-L803 PolarHBondContact O-N 3.37Å; V800-D804 PolarHBondContact O-N 3.1Å |
| 801 | S | 80 | Confident | 78 | Confident | 70 Ų | 70 | 103 Ų | 103 | 49% | 0.49 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 177.9 | -58.3 | 0 | 0 | 0 | 0 | 112 | M797 R798 D804 T805 | M797-S801 WeakPolarHBondContact O-CB 3.39Å; M797-S801 PolarHBondContact O-N 3.47Å; M797-S801 PolarHBondContact O-OG 3.38Å; R798-S801 PolarHBondContact O-N 3.45Å; S801-D804 PolarHBondContact O-N 3.29Å; S801-T805 WeakPolarHBondContact O-CG2 3.31Å; S801-T805 PolarHBondContact O-N 2.84Å; S801-T805 PolarHBondContact O-OG1 3.36Å |
| 802 | E | 83.4 | Confident | 75.8 | Confident | 117 Ų | 117 | 102.9 Ų | 102.9 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.3 | -43.1 | 175.9 | -74.8 | 177.1 | -171.8 | 0 | 0 | 111.6 | R798 L799 V800 D804 T805 L806 | R798-E802 WeakPolarHBondContact O-CG 3.49Å; R798-E802 PolarHBondContact O-N 3.36Å; L799-E802 PolarHBondContact O-N 2.89Å; V800-E802 PolarHBondContact O-N 2.97Å; E802-D804 VanDerWaalsContact C-N 3.34Å; E802-D804 PolarHBondContact O-N 2.94Å; E802-T805 WeakPolarHBondContact CA-OG1 3.44Å; E802-T805 PolarHBondContact O-N 3.18Å; E802-T805 PolarHBondContact O-OG1 3.36Å; E802-L806 WeakPolarHBondContact O-CG 3.45Å; E802-L806 PolarHBondContact O-N 3.22Å |
| 803 | L | 78 | Confident | 73.4 | Confident | 109 Ų | 109 | 105 Ų | 105 | 57% | 0.571 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.6 | -40.2 | 175.4 | -73.5 | 168 | 0 | 0 | 0 | 112.3 | L799 V800 L806 R807 | L799-L803 WeakPolarHBondContact O-CB 3Å; L799-L803 VanDerWaalsContact O-CG 3.26Å; L799-L803 WeakPolarHBondContact O-CG 3.43Å; L799-L803 PolarHBondContact O-N 3.33Å; V800-L803 PolarHBondContact O-N 3.37Å; L803-L806 PolarHBondContact O-N 3.35Å; L803-R807 WeakPolarHBondContact O-CB 3.49Å; L803-R807 PolarHBondContact O-N 3.01Å |
| 804 | D | 76.7 | Confident | 71.1 | Confident | 77 Ų | 77 | 106.7 Ų | 106.7 | 41% | 0.412 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.1 | -36.2 | 177.2 | -76.1 | -30.2 | 0 | 0 | 0 | 112.4 | V800 S801 E802 R807 A808 | V800-D804 PolarHBondContact O-N 3.1Å; S801-D804 PolarHBondContact O-N 3.29Å; E802-D804 VanDerWaalsContact C-N 3.34Å; E802-D804 PolarHBondContact O-N 2.94Å; D804-R807 PolarHBondContact O-N 3.44Å; D804-R807 IonicContact OD1-NH1 3.06Å; D804-R807 PolarHBondContact OD1-NH1 3.45Å; D804-A808 WeakPolarHBondContact O-CB 3.47Å; D804-A808 PolarHBondContact O-N 3.45Å |
| 805 | T | 77.5 | Confident | 68.6 | Low | 85 Ų | 85 | 113.4 Ų | 113.4 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.5 | -38.6 | 173.5 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | S801 E802 R807 A808 S809 | S801-T805 WeakPolarHBondContact O-CG2 3.31Å; S801-T805 PolarHBondContact O-N 2.84Å; S801-T805 PolarHBondContact O-OG1 3.36Å; E802-T805 WeakPolarHBondContact CA-OG1 3.44Å; E802-T805 PolarHBondContact O-N 3.18Å; E802-T805 PolarHBondContact O-OG1 3.36Å; T805-R807 VanDerWaalsContact C-N 3.34Å; T805-A808 PolarHBondContact O-N 3Å; T805-S809 PolarHBondContact O-N 3.19Å; T805-S809 VanDerWaalsContact O-N 3.09Å; T805-S809 PolarHBondContact O-OG 2.94Å |
| 806 | L | 75 | Confident | 65.9 | Low | 113 Ų | 113 | 114.3 Ų | 114.3 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.1 | -38.4 | 174.6 | -73.3 | 170 | 0 | 0 | 0 | 111.3 | E802 L803 S809 | E802-L806 WeakPolarHBondContact O-CG 3.45Å; E802-L806 PolarHBondContact O-N 3.22Å; L803-L806 PolarHBondContact O-N 3.35Å; L806-S809 PolarHBondContact O-N 2.83Å |
| 807 | R | 72.4 | Confident | 63.3 | Low | 187 Ų | 187 | 119.1 Ų | 119.1 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.8 | -39.1 | 175 | -166.3 | -176.2 | -77.7 | 151.3 | -10.6 | 111.8 | L803 D804 T805 | L803-R807 WeakPolarHBondContact O-CB 3.49Å; L803-R807 PolarHBondContact O-N 3.01Å; D804-R807 PolarHBondContact O-N 3.44Å; D804-R807 IonicContact OD1-NH1 3.06Å; D804-R807 PolarHBondContact OD1-NH1 3.45Å; T805-R807 VanDerWaalsContact C-N 3.34Å |
| 808 | A | 71.3 | Confident | 60.7 | Low | 87 Ų | 87 | 122.5 Ų | 122.5 | 72% | 0.719 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72 | -26.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | D804 T805 G810 | D804-A808 WeakPolarHBondContact O-CB 3.47Å; D804-A808 PolarHBondContact O-N 3.45Å; T805-A808 PolarHBondContact O-N 3Å; A808-G810 PolarHBondContact O-N 3.3Å |
| 809 | S | 70.3 | Confident | 58 | Low | 85 Ų | 85 | 117.5 Ų | 117.5 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 6.1 | -176.8 | -60.2 | 0 | 0 | 0 | 0 | 114.7 | T805 L806 L811 | T805-S809 PolarHBondContact O-N 3.19Å; T805-S809 VanDerWaalsContact O-N 3.09Å; T805-S809 PolarHBondContact O-OG 2.94Å; L806-S809 PolarHBondContact O-N 2.83Å; S809-L811 PolarHBondContact O-N 2.7Å; S809-L811 VanDerWaalsContact O-N 3.1Å |
| 810 | G | 48.6 | Very low | 55.3 | Low | 64 Ų | 64 | 120.8 Ų | 120.8 | 66% | 0.66 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.4 | 12.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | A808 V812 | A808-G810 PolarHBondContact O-N 3.3Å; G810-V812 VanDerWaalsContact C-N 3.34Å; G810-V812 PolarHBondContact O-N 3.48Å |
| 811 | L | 44.5 | Very low | 52.8 | Low | 159 Ų | 159 | 123.7 Ų | 123.7 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | trans | -88.5 | 7.2 | -176.7 | -114.2 | 136.4 | 0 | 0 | 0 | 114.6 | S809 | S809-L811 PolarHBondContact O-N 2.7Å; S809-L811 VanDerWaalsContact O-N 3.1Å | ||
| 812 | V | 45.2 | Very low | 51.1 | Low | 118 Ų | 118 | 125.4 Ų | 125.4 | 72% | 0.715 | 70% | 0.704 | S | S | * | * | trans | -101.6 | 83.7 | 172.5 | -172.1 | 0 | 0 | 0 | 0 | 108.4 | G810 D814 | G810-V812 VanDerWaalsContact C-N 3.34Å; G810-V812 PolarHBondContact O-N 3.48Å; V812-D814 PolarHBondContact O-N 2.84Å | ||
| 813 | Q | 36.2 | Very low | 48.4 | Very low | 161 Ų | 161 | 128 Ų | 128 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | -68.3 | 122.6 | 166 | -98.9 | 175.7 | -20.9 | 0 | 0 | 109.2 | Y815 | Q813-Y815 PolarHBondContact O-N 3.26Š| ||
| 814 | D | 36.1 | Very low | 46.1 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | trans | -55.7 | 89.5 | 174 | -75.2 | -43.4 | 0 | 0 | 0 | 111.9 | V812 N816 | V812-D814 PolarHBondContact O-N 2.84Å; D814-N816 PolarHBondContact O-N 3.09Å | ||
| 815 | Y | 34.8 | Very low | 43.8 | Very low | 218 Ų | 218 | 134 Ų | 134 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | trans | -82.5 | 68 | 160.3 | -92.4 | -87.1 | 0 | 0 | 0 | 109.7 | Q813 Q817 | Q813-Y815 PolarHBondContact O-N 3.26Å; Y815-Q817 PolarHBondContact O-N 3.4Å | ||
| 816 | N | 32.4 | Very low | 41.4 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -75.6 | 102.9 | 153.4 | -106.5 | -26.6 | 0 | 0 | 0 | 107.3 | D814 | D814-N816 PolarHBondContact O-N 3.09Š| ||
| 817 | Q | 30.6 | Very low | 39.1 | Very low | 162 Ų | 162 | 139 Ų | 139 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 161.8 | 126.2 | 137.6 | -89.8 | 169.5 | 23.2 | 0 | 0 | 111.7 | Y815 | Y815-Q817 PolarHBondContact O-N 3.4Š|
| 818 | N | 29.4 | Very low | 36.9 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 61.9 | 95.2 | 140.8 | -59.1 | -17.9 | 0 | 0 | 0 | 117.6 | ||||
| 819 | G | 28.8 | Very low | 34.7 | Very low | 76 Ų | 76 | 142.8 Ų | 142.8 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -160.3 | 80 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C821 | G819-C821 PolarHBondContact O-N 2.91Š| ||
| 820 | V | 29.2 | Very low | 32.6 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -48.9 | 127.9 | 166.1 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 821 | C | 29 | Very low | 31.6 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -153.7 | 147.9 | 150.1 | -96.1 | 0 | 0 | 0 | 0 | 112.4 | G819 | G819-C821 PolarHBondContact O-N 2.91Š| ||
| 822 | P | 43.2 | Very low | 30.8 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | trans | -105.8 | 163.8 | -160.8 | 29.3 | -11.2 | 0 | 0 | 0 | 113.3 | ||||
| 823 | N | 27.9 | Very low | 30 | Very low | 172 Ų | 172 | 153.9 Ų | 153.9 | 92% | 0.92 | 82% | 0.821 | S | S | * | * | trans | 79.7 | 96.9 | 177 | -63.1 | -12.5 | 0 | 0 | 0 | 116.6 | ||||
| 824 | G | 29.3 | Very low | 29.6 | Very low | 70 Ų | 70 | 151.6 Ų | 151.6 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 155.1 | 98.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 825 | Y | 28.3 | Very low | 29.2 | Very low | 241 Ų | 241 | 152.3 Ų | 152.3 | 95% | 0.945 | 82% | 0.822 | S | S | * | * | trans | 39.3 | 93.5 | 158.2 | -79 | -92.9 | 0 | 0 | 0 | 117.4 | S827 | Y825-S827 PolarHBondContact O-N 3.49Š| ||
| 826 | Q | 26.9 | Very low | 29 | Very low | 195 Ų | 195 | 147.5 Ų | 147.5 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -65.1 | 115.1 | 175.5 | -160.5 | 170.6 | 7.9 | 0 | 0 | 111.3 | S828 | Q826-S828 PolarHBondContact O-N 3.21Š| ||
| 827 | S | 26 | Very low | 28.7 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -53.7 | 117.9 | 156.5 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | Y825 W829 | Y825-S827 PolarHBondContact O-N 3.49Å; S827-W829 VanDerWaalsContact C-N 3.32Å | ||
| 828 | S | 27.4 | Very low | 28.7 | Very low | 108 Ų | 108 | 144 Ų | 144 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | -94.6 | 60.7 | 159.7 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | Q826 | Q826-S828 PolarHBondContact O-N 3.21Š| ||
| 829 | W | 24.4 | Very low | 28.8 | Very low | 245 Ų | 245 | 147.9 Ų | 147.9 | 93% | 0.928 | 82% | 0.822 | S | S | * | * | trans | -146.4 | 79.1 | 166 | -67 | 96.3 | 0 | 0 | 0 | 109.1 | S827 | S827-W829 VanDerWaalsContact C-N 3.32Š| ||
| 830 | R | 25.6 | Very low | 28.7 | Very low | 246 Ų | 246 | 151.5 Ų | 151.5 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | trans | -127.6 | 140.3 | 147.6 | -89.2 | -157.4 | -154.4 | -143.9 | 6.7 | 108.3 | ||||
| 831 | A | 28.8 | Very low | 28.8 | Very low | 91 Ų | 91 | 149.3 Ų | 149.3 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | 81.6 | 75.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 832 | N | 28.3 | Very low | 29.1 | Very low | 155 Ų | 155 | 149.8 Ų | 149.8 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | S | Bend | -152.2 | 106.4 | 113.3 | -92 | -19.4 | 0 | 0 | 0 | 109.4 | V834 | N832-V834 PolarHBondContact O-N 2.95Š| |
| 833 | N | 26.6 | Very low | 28.4 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | 27 | 81.7 | 160.5 | -71.5 | -11.5 | 0 | 0 | 0 | 117.4 | ||||
| 834 | V | 28.4 | Very low | 28.4 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | -105.5 | 82 | 157.2 | -168.8 | 0 | 0 | 0 | 0 | 107.1 | N832 | N832-V834 PolarHBondContact O-N 2.95Š| ||
| 835 | N | 28.9 | Very low | 28.3 | Very low | 161 Ų | 161 | 151.4 Ų | 151.4 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -119.9 | 124.8 | 147.7 | -92.4 | -2.2 | 0 | 0 | 0 | 104.6 | ||||
| 836 | S | 29.5 | Very low | 28.3 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | 92.6 | 54.6 | -178.3 | -153 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 837 | L | 26.1 | Very low | 28.3 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | -129.7 | 56.1 | 148 | -82.7 | 164.4 | 0 | 0 | 0 | 107.8 | ||||
| 838 | A | 30.6 | Very low | 28.5 | Very low | 81 Ų | 81 | 145.2 Ų | 145.2 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | trans | -73.4 | 121.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 106 | D840 | A838-D840 VanDerWaalsContact C-N 3.3Å; A838-D840 PolarHBondContact O-N 3.4Å | ||
| 839 | Y | 31.1 | Very low | 28.4 | Very low | 236 Ų | 236 | 147.2 Ų | 147.2 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -59.8 | 91.6 | 169.6 | -86.4 | -105 | 0 | 0 | 0 | 108.6 | S841 | Y839-S841 PolarHBondContact O-N 2.9Š| ||
| 840 | D | 26.8 | Very low | 28.8 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -75.5 | 115.4 | 162.9 | -83 | -28.2 | 0 | 0 | 0 | 108.4 | A838 | A838-D840 VanDerWaalsContact C-N 3.3Å; A838-D840 PolarHBondContact O-N 3.4Å | ||
| 841 | S | 30.8 | Very low | 29.3 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -49.7 | 126.1 | 172 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | Y839 A843 | Y839-S841 PolarHBondContact O-N 2.9Å; S841-A843 PolarHBondContact O-N 3.37Å | ||
| 842 | P | 35.7 | Very low | 29.9 | Very low | 134 Ų | 134 | 136 Ų | 136 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 19.5 | -175.2 | -19.4 | 32 | 0 | 0 | 0 | 116.7 | ||
| 843 | A | 29.5 | Very low | 30.6 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -5.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S841 | S841-A843 PolarHBondContact O-N 3.37Š|
| 844 | Q | 26.7 | Very low | 31.1 | Very low | 189 Ų | 189 | 132.5 Ų | 132.5 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -144.3 | 73.8 | 179.2 | -74 | -174.1 | -14.5 | 0 | 0 | 113.3 | ||
| 845 | S | 28.1 | Very low | 31.5 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | -154.9 | 84.5 | 149.6 | 51 | 0 | 0 | 0 | 0 | 110.6 | I847 | S845-I847 PolarHBondContact O-N 3.15Š| ||
| 846 | V | 28.1 | Very low | 32.3 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | trans | -62.3 | 109.5 | 152.5 | 176.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 847 | I | 27.5 | Very low | 33.2 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | trans | 161.8 | 103.9 | 142.3 | -78.1 | 153.9 | 0 | 0 | 0 | 108.3 | S845 | S845-I847 PolarHBondContact O-N 3.15Š| ||
| 848 | V | 28.6 | Very low | 34 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | 33.9 | 105.9 | 141.2 | -167.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 849 | D | 26.5 | Very low | 34.8 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | -156.3 | 153 | 117.6 | -134.9 | -21.7 | 0 | 0 | 0 | 114.5 | |||||
| 850 | S | 32.2 | Very low | 36.1 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 63% | 0.629 | 68% | 0.684 | S | S | * | * | trans | -101.9 | 90.5 | -151.6 | 55.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 851 | T | 35.8 | Very low | 37.6 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 83% | 0.834 | 68% | 0.678 | S | S | * | * | trans | -143.4 | 58.3 | 174.2 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | D853 | T851-D853 PolarHBondContact O-N 3.16Š| ||
| 852 | L | 42.1 | Very low | 38.4 | Very low | 122 Ų | 122 | 126 Ų | 126 | 64% | 0.639 | 67% | 0.668 | S | S | * | * | trans | -67.9 | 125.4 | 164.1 | -92.3 | 145.3 | 0 | 0 | 0 | 111 | R857 | L852-R857 PolarHBondContact O-NE 3.44Å; L852-R857 PolarHBondContact O-NH2 3.47Å | ||
| 853 | D | 42.1 | Very low | 39.7 | Very low | 86 Ų | 86 | 122.9 Ų | 122.9 | 46% | 0.46 | 64% | 0.644 | S | S | . | * | trans | -62.3 | 143.5 | -177.9 | -173.2 | 26 | 0 | 0 | 0 | 113.4 | T851 R855 Q856 R857 | T851-D853 PolarHBondContact O-N 3.16Å; D853-R855 PolarHBondContact O-N 3.43Å; D853-Q856 PolarHBondContact O-N 3.45Å; D853-R857 PolarHBondContact O-N 3.18Å | ||
| 854 | W | 38.8 | Very low | 41.4 | Very low | 162 Ų | 162 | 126.2 Ų | 126.2 | 61% | 0.614 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.4 | -28.2 | -167.2 | 67.3 | -85.8 | 0 | 0 | 0 | 113.7 | Q856 R857 K858 | W854-Q856 VanDerWaalsContact C-N 3.34Å; W854-R857 PolarHBondContact O-N 3.08Å; W854-K858 PolarHBondContact O-N 2.89Å; W854-K858 VanDerWaalsContact O-N 3.08Å |
| 855 | R | 36.5 | Very low | 42.9 | Very low | 175 Ų | 175 | 123.1 Ų | 123.1 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.5 | -40.9 | 176.7 | -70.5 | -174.7 | 176 | -170.9 | 0.4 | 111.3 | D853 K858 S859 | D853-R855 PolarHBondContact O-N 3.43Å; R855-K858 PolarHBondContact O-N 3.2Å; R855-S859 PolarHBondContact O-N 3.43Å; R855-S859 VanDerWaalsContact O-N 3.13Å |
| 856 | Q | 45.2 | Very low | 44.7 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 59% | 0.593 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.3 | -41.3 | 178.3 | -133.2 | 161.1 | -7.1 | 0 | 0 | 110.9 | D853 W854 K858 S859 T860 | D853-Q856 PolarHBondContact O-N 3.45Å; W854-Q856 VanDerWaalsContact C-N 3.34Å; Q856-K858 PolarHBondContact O-N 3.13Å; Q856-S859 PolarHBondContact O-N 3.37Å; Q856-T860 WeakPolarHBondContact O-CG2 3.22Å; Q856-T860 PolarHBondContact O-N 2.98Å; Q856-T860 PolarHBondContact O-OG1 3.31Å |
| 857 | R | 48 | Very low | 46.2 | Very low | 133 Ų | 133 | 124 Ų | 124 | 50% | 0.502 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.6 | -41.2 | 173.8 | -63.3 | -174.6 | -155.8 | -171.9 | 2.9 | 112.8 | L852 D853 W854 T860 K861 | L852-R857 PolarHBondContact O-NE 3.44Å; L852-R857 PolarHBondContact O-NH2 3.47Å; D853-R857 PolarHBondContact O-N 3.18Å; W854-R857 PolarHBondContact O-N 3.08Å; R857-T860 WeakPolarHBondContact CA-OG1 3.46Å; R857-T860 PolarHBondContact O-OG1 3.43Å; R857-K861 WeakPolarHBondContact O-CB 3.45Å; R857-K861 WeakPolarHBondContact O-CG 3.45Å; R857-K861 PolarHBondContact O-N 3.04Å |
| 858 | K | 42.6 | Very low | 48 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 64% | 0.635 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.7 | -44.7 | 179.7 | -169.7 | 178.6 | 179.3 | -177.7 | 0 | 111.8 | W854 R855 Q856 K861 L862 | W854-K858 PolarHBondContact O-N 2.89Å; W854-K858 VanDerWaalsContact O-N 3.08Å; R855-K858 PolarHBondContact O-N 3.2Å; Q856-K858 PolarHBondContact O-N 3.13Å; K858-K861 PolarHBondContact O-N 3.34Å; K858-L862 WeakPolarHBondContact O-CB 3.43Å; K858-L862 PolarHBondContact O-N 2.59Å |
| 859 | S | 48.3 | Very low | 49.9 | Very low | 64 Ų | 64 | 122.3 Ų | 122.3 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.7 | -42.9 | 176.9 | 176.4 | 0 | 0 | 0 | 0 | 112 | R855 Q856 K861 L862 N863 | R855-S859 PolarHBondContact O-N 3.43Å; R855-S859 VanDerWaalsContact O-N 3.13Å; Q856-S859 PolarHBondContact O-N 3.37Å; S859-K861 VanDerWaalsContact C-N 3.32Å; S859-K861 PolarHBondContact O-N 2.84Å; S859-L862 PolarHBondContact O-N 2.9Å; S859-N863 WeakPolarHBondContact O-CB 3.38Å; S859-N863 PolarHBondContact O-N 3.5Å |
| 860 | T | 57.3 | Low | 52 | Low | 79 Ų | 79 | 122 Ų | 122 | 49% | 0.485 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.3 | -33 | 176.3 | 55.2 | 0 | 0 | 0 | 0 | 113 | Q856 R857 K864 | Q856-T860 WeakPolarHBondContact O-CG2 3.22Å; Q856-T860 PolarHBondContact O-N 2.98Å; Q856-T860 PolarHBondContact O-OG1 3.31Å; R857-T860 WeakPolarHBondContact CA-OG1 3.46Å; R857-T860 PolarHBondContact O-OG1 3.43Å; T860-K864 WeakPolarHBondContact O-CB 3.39Å; T860-K864 WeakPolarHBondContact O-CG 3.32Å; T860-K864 PolarHBondContact O-N 3.1Å; T860-K864 VanDerWaalsContact O-N 3.08Å |
| 861 | K | 59.7 | Low | 54.1 | Low | 157 Ų | 157 | 124 Ų | 124 | 68% | 0.683 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.6 | -42.3 | 175.5 | -82.1 | -175 | 176.3 | -172.4 | 0 | 111.8 | R857 K858 S859 K864 M865 | R857-K861 WeakPolarHBondContact O-CB 3.45Å; R857-K861 WeakPolarHBondContact O-CG 3.45Å; R857-K861 PolarHBondContact O-N 3.04Å; K858-K861 PolarHBondContact O-N 3.34Å; S859-K861 VanDerWaalsContact C-N 3.32Å; S859-K861 PolarHBondContact O-N 2.84Å; K861-K864 PolarHBondContact O-N 2.67Å; K861-M865 WeakPolarHBondContact O-CB 3.37Å; K861-M865 PolarHBondContact O-N 2.97Å |
| 862 | L | 46.4 | Very low | 56 | Low | 89 Ų | 89 | 120 Ų | 120 | 47% | 0.466 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.7 | -47.3 | 178.6 | -159.5 | 72.8 | 0 | 0 | 0 | 110.7 | K858 S859 K864 M865 E866 | K858-L862 WeakPolarHBondContact O-CB 3.43Å; K858-L862 PolarHBondContact O-N 2.59Å; S859-L862 PolarHBondContact O-N 2.9Å; L862-K864 VanDerWaalsContact C-N 3.29Å; L862-K864 PolarHBondContact O-N 2.77Å; L862-M865 PolarHBondContact O-N 3.01Å; L862-M865 VanDerWaalsContact O-N 3.14Å; L862-E866 WeakPolarHBondContact O-CG 3.38Å; L862-E866 PolarHBondContact O-N 2.76Å |
| 863 | N | 64.4 | Low | 57.6 | Low | 69 Ų | 69 | 116.7 Ų | 116.7 | 37% | 0.369 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.8 | -28.6 | 176.5 | -69 | 5.8 | 0 | 0 | 0 | 113 | S859 R867 | S859-N863 WeakPolarHBondContact O-CB 3.38Å; S859-N863 PolarHBondContact O-N 3.5Å; N863-R867 WeakPolarHBondContact O-CB 3.49Å; N863-R867 VanDerWaalsContact O-CG 3.3Å; N863-R867 WeakPolarHBondContact O-CG 2.89Å; N863-R867 PolarHBondContact O-N 2.99Å; N863-R867 PolarHBondContact O-NH1 2.88Å |
| 864 | K | 64 | Low | 59.3 | Low | 151 Ų | 151 | 118 Ų | 118 | 66% | 0.657 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.7 | -40.8 | 172 | -87.1 | -171.8 | 174.9 | -169.1 | 0 | 111.9 | T860 K861 L862 R867 W868 | T860-K864 WeakPolarHBondContact O-CB 3.39Å; T860-K864 WeakPolarHBondContact O-CG 3.32Å; T860-K864 PolarHBondContact O-N 3.1Å; T860-K864 VanDerWaalsContact O-N 3.08Å; K861-K864 PolarHBondContact O-N 2.67Å; L862-K864 VanDerWaalsContact C-N 3.29Å; L862-K864 PolarHBondContact O-N 2.77Å; K864-R867 PolarHBondContact O-N 2.95Å; K864-W868 VanDerWaalsContact O-CB 3.3Å; K864-W868 WeakPolarHBondContact O-CB 3.26Å; K864-W868 PolarHBondContact O-N 3.23Å |
| 865 | M | 59 | Low | 61.2 | Low | 124 Ų | 124 | 114.2 Ų | 114.2 | 61% | 0.611 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71 | -36.7 | -178.2 | -157 | 173.3 | 77.2 | 0 | 0 | 111.8 | K861 L862 W868 S869 | K861-M865 WeakPolarHBondContact O-CB 3.37Å; K861-M865 PolarHBondContact O-N 2.97Å; L862-M865 PolarHBondContact O-N 3.01Å; L862-M865 VanDerWaalsContact O-N 3.14Å; M865-W868 PolarHBondContact O-N 3.11Å; M865-S869 WeakPolarHBondContact O-CB 3.45Å; M865-S869 PolarHBondContact O-N 3.07Å |
| 866 | E | 65.5 | Low | 63.2 | Low | 101 Ų | 101 | 110.4 Ų | 110.4 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 172.3 | -73.7 | 174.2 | 175.7 | 0 | 0 | 111.7 | L862 W868 S869 H870 | L862-E866 WeakPolarHBondContact O-CG 3.38Å; L862-E866 PolarHBondContact O-N 2.76Å; E866-W868 VanDerWaalsContact C-N 3.33Å; E866-W868 PolarHBondContact O-N 2.8Å; E866-S869 PolarHBondContact O-N 3.36Å; E866-H870 PolarHBondContact O-CD2 3.04Å; E866-H870 PolarHBondContact O-N 3.21Å |
| 867 | R | 59.8 | Low | 64.6 | Low | 167 Ų | 167 | 109.8 Ų | 109.8 | 63% | 0.63 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58 | -46.6 | 173.1 | -78.1 | -172 | -162.9 | 105.6 | -5.9 | 111.7 | N863 K864 S869 H870 E871 | N863-R867 WeakPolarHBondContact O-CB 3.49Å; N863-R867 VanDerWaalsContact O-CG 3.3Å; N863-R867 WeakPolarHBondContact O-CG 2.89Å; N863-R867 PolarHBondContact O-N 2.99Å; N863-R867 PolarHBondContact O-NH1 2.88Å; K864-R867 PolarHBondContact O-N 2.95Å; R867-S869 VanDerWaalsContact C-N 3.32Å; R867-S869 PolarHBondContact O-N 2.96Å; R867-H870 PolarHBondContact O-N 3.11Å; R867-E871 VanDerWaalsContact O-CB 3.29Å; R867-E871 WeakPolarHBondContact O-CB 3.42Å; R867-E871 PolarHBondContact O-N 2.87Å |
| 868 | W | 65.8 | Low | 66 | Low | 168 Ų | 168 | 106.4 Ų | 106.4 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | 177.9 | -169.5 | 79.7 | 0 | 0 | 0 | 112.1 | K864 M865 E866 E871 V872 | K864-W868 VanDerWaalsContact O-CB 3.3Å; K864-W868 WeakPolarHBondContact O-CB 3.26Å; K864-W868 PolarHBondContact O-N 3.23Å; M865-W868 PolarHBondContact O-N 3.11Å; E866-W868 VanDerWaalsContact C-N 3.33Å; E866-W868 PolarHBondContact O-N 2.8Å; W868-E871 PolarHBondContact O-N 2.89Å; W868-V872 HydrophobicContact CD2-CG2 4Å; W868-V872 HydrophobicContact CE3-CG2 4.09Å; W868-V872 HydrophobicContact CH2-CG2 3.93Å; W868-V872 HydrophobicContact CZ2-CG2 3.81Å; W868-V872 HydrophobicContact CZ3-CG2 4.06Å; W868-V872 WeakPolarHBondContact O-CB 3.36Å; W868-V872 VanDerWaalsContact O-CG2 3.27Å; W868-V872 WeakPolarHBondContact O-CG2 3.47Å; W868-V872 PolarHBondContact O-N 3.33Å |
| 869 | S | 68.5 | Low | 68 | Low | 73 Ų | 73 | 104.3 Ų | 104.3 | 51% | 0.51 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 175.4 | -170.6 | 0 | 0 | 0 | 0 | 112.5 | M865 E866 R867 A873 | M865-S869 WeakPolarHBondContact O-CB 3.45Å; M865-S869 PolarHBondContact O-N 3.07Å; E866-S869 PolarHBondContact O-N 3.36Å; R867-S869 VanDerWaalsContact C-N 3.32Å; R867-S869 PolarHBondContact O-N 2.96Å; S869-A873 WeakPolarHBondContact O-CB 3.48Å; S869-A873 PolarHBondContact O-N 3.18Å |
| 870 | H | 70.7 | Confident | 69.3 | Low | 144 Ų | 144 | 103.8 Ų | 103.8 | 67% | 0.667 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68 | -38.6 | 175.1 | -79.8 | -64.6 | 0 | 0 | 0 | 112 | E866 R867 A873 L874 | E866-H870 PolarHBondContact O-CD2 3.04Å; E866-H870 PolarHBondContact O-N 3.21Å; R867-H870 PolarHBondContact O-N 3.11Å; H870-A873 PolarHBondContact O-N 3.29Å; H870-L874 VanDerWaalsContact O-CB 3.32Å; H870-L874 WeakPolarHBondContact O-CB 3.44Å; H870-L874 PolarHBondContact O-N 3.29Å |
| 871 | E | 75 | Confident | 70.1 | Confident | 132 Ų | 132 | 108 Ų | 108 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.6 | -42.3 | 177 | -171.4 | 168.9 | -164.3 | 0 | 0 | 111.7 | R867 W868 N875 | R867-E871 VanDerWaalsContact O-CB 3.29Å; R867-E871 WeakPolarHBondContact O-CB 3.42Å; R867-E871 PolarHBondContact O-N 2.87Å; W868-E871 PolarHBondContact O-N 2.89Å; E871-N875 VanDerWaalsContact O-CB 3.27Å; E871-N875 WeakPolarHBondContact O-CB 3.5Å; E871-N875 PolarHBondContact O-N 3.09Å |
| 872 | V | 77.3 | Confident | 71.1 | Confident | 50 Ų | 50 | 104 Ų | 104 | 30% | 0.303 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 173.6 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | W868 N875 N876 | W868-V872 HydrophobicContact CD2-CG2 4Å; W868-V872 HydrophobicContact CE3-CG2 4.09Å; W868-V872 HydrophobicContact CH2-CG2 3.93Å; W868-V872 HydrophobicContact CZ2-CG2 3.81Å; W868-V872 HydrophobicContact CZ3-CG2 4.06Å; W868-V872 WeakPolarHBondContact O-CB 3.36Å; W868-V872 VanDerWaalsContact O-CG2 3.27Å; W868-V872 WeakPolarHBondContact O-CG2 3.47Å; W868-V872 PolarHBondContact O-N 3.33Å; V872-N875 PolarHBondContact O-N 2.99Å; V872-N876 WeakPolarHBondContact O-CB 3.44Å; V872-N876 PolarHBondContact O-N 3.24Å; V872-N876 PolarHBondContact O-ND2 3.45Å |
| 873 | A | 74.8 | Confident | 72.8 | Confident | 53 Ų | 53 | 106 Ų | 106 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S869 H870 N876 E877 | S869-A873 WeakPolarHBondContact O-CB 3.48Å; S869-A873 PolarHBondContact O-N 3.18Å; H870-A873 PolarHBondContact O-N 3.29Å; A873-N876 PolarHBondContact O-N 3.36Å; A873-E877 PolarHBondContact O-N 2.95Å |
| 874 | L | 78.4 | Confident | 73.5 | Confident | 115 Ų | 115 | 105.1 Ų | 105.1 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -45.6 | 175.8 | -174.7 | 67.7 | 0 | 0 | 0 | 111.1 | H870 N876 E877 V878 | H870-L874 VanDerWaalsContact O-CB 3.32Å; H870-L874 WeakPolarHBondContact O-CB 3.44Å; H870-L874 PolarHBondContact O-N 3.29Å; L874-N876 VanDerWaalsContact C-N 3.31Å; L874-N876 PolarHBondContact O-N 3.47Å; L874-E877 PolarHBondContact O-N 3.31Å; L874-E877 VanDerWaalsContact O-N 3.17Å; L874-V878 HydrophobicContact CG-CG2 4.5Å; L874-V878 VanDerWaalsContact O-CG2 3.29Å; L874-V878 WeakPolarHBondContact O-CG2 3.33Å; L874-V878 PolarHBondContact O-N 3.19Å |
| 875 | N | 77.4 | Confident | 74.3 | Confident | 81 Ų | 81 | 102.7 Ų | 102.7 | 43% | 0.433 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 177.5 | -168.7 | 30.6 | 0 | 0 | 0 | 112.3 | E871 V872 K879 | E871-N875 VanDerWaalsContact O-CB 3.27Å; E871-N875 WeakPolarHBondContact O-CB 3.5Å; E871-N875 PolarHBondContact O-N 3.09Å; V872-N875 PolarHBondContact O-N 2.99Å; N875-K879 WeakPolarHBondContact O-CB 3.42Å; N875-K879 VanDerWaalsContact O-CG 3.27Å; N875-K879 WeakPolarHBondContact O-CG 3.47Å; N875-K879 PolarHBondContact O-N 3.15Å |
| 876 | N | 78.5 | Confident | 75.6 | Confident | 96 Ų | 96 | 102.1 Ų | 102.1 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.6 | -37.2 | 175 | -72.6 | -21.1 | 0 | 0 | 0 | 112.2 | V872 A873 L874 A880 | V872-N876 WeakPolarHBondContact O-CB 3.44Å; V872-N876 PolarHBondContact O-N 3.24Å; V872-N876 PolarHBondContact O-ND2 3.45Å; A873-N876 PolarHBondContact O-N 3.36Å; L874-N876 VanDerWaalsContact C-N 3.31Å; L874-N876 PolarHBondContact O-N 3.47Å; N876-A880 WeakPolarHBondContact O-CB 3.19Å; N876-A880 PolarHBondContact O-N 2.9Å |
| 877 | E | 75.1 | Confident | 76.6 | Confident | 114 Ų | 114 | 102.3 Ų | 102.3 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.7 | -38.8 | 177.2 | -170.1 | 165.1 | 172.3 | 0 | 0 | 112.1 | A873 L874 A880 R881 | A873-E877 PolarHBondContact O-N 2.95Å; L874-E877 PolarHBondContact O-N 3.31Å; L874-E877 VanDerWaalsContact O-N 3.17Å; E877-A880 PolarHBondContact O-N 3.28Å; E877-R881 PolarHBondContact O-N 3.05Å; E877-R881 IonicContact OE1-NH1 3.85Å; E877-R881 PolarHBondContact OE1-NH1 3.48Å |
| 878 | V | 78.1 | Confident | 77.5 | Confident | 62 Ų | 62 | 99.4 Ų | 99.4 | 38% | 0.376 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.1 | -50 | 171.4 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | L874 A880 R881 E882 | L874-V878 HydrophobicContact CG-CG2 4.5Å; L874-V878 VanDerWaalsContact O-CG2 3.29Å; L874-V878 WeakPolarHBondContact O-CG2 3.33Å; L874-V878 PolarHBondContact O-N 3.19Å; V878-A880 VanDerWaalsContact C-N 3.32Å; V878-A880 PolarHBondContact O-N 3.39Å; V878-R881 WeakPolarHBondContact O-CB 3.5Å; V878-R881 PolarHBondContact O-N 2.98Å; V878-R881 VanDerWaalsContact O-N 3.1Å; V878-E882 HydrophobicContact CG1-CG 4.4Å; V878-E882 WeakPolarHBondContact O-CG 3.46Å; V878-E882 PolarHBondContact O-N 2.94Å |
| 879 | K | 83.7 | Confident | 78.2 | Confident | 101 Ų | 101 | 96.4 Ų | 96.4 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 176.5 | -75.1 | 176.6 | -178.6 | -177.6 | 0 | 113.5 | N875 R881 Q883 | N875-K879 WeakPolarHBondContact O-CB 3.42Å; N875-K879 VanDerWaalsContact O-CG 3.27Å; N875-K879 WeakPolarHBondContact O-CG 3.47Å; N875-K879 PolarHBondContact O-N 3.15Å; K879-R881 VanDerWaalsContact C-N 3.35Å; K879-Q883 WeakPolarHBondContact O-CB 3.34Å; K879-Q883 VanDerWaalsContact O-CG 3.29Å; K879-Q883 WeakPolarHBondContact O-CG 3.35Å; K879-Q883 PolarHBondContact O-N 3.49Å |
| 880 | A | 77 | Confident | 79 | Confident | 53 Ų | 53 | 97 Ų | 97 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N876 E877 V878 A884 | N876-A880 WeakPolarHBondContact O-CB 3.19Å; N876-A880 PolarHBondContact O-N 2.9Å; E877-A880 PolarHBondContact O-N 3.28Å; V878-A880 VanDerWaalsContact C-N 3.32Å; V878-A880 PolarHBondContact O-N 3.39Å; A880-A884 WeakPolarHBondContact O-CB 3.4Å; A880-A884 PolarHBondContact O-N 3.04Å |
| 881 | R | 73.3 | Confident | 79.4 | Confident | 167 Ų | 167 | 94 Ų | 94 | 63% | 0.63 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.2 | -47.7 | 172.8 | -105.8 | -175.3 | 169.7 | 87.6 | -1.5 | 112 | E877 V878 K879 Q883 A884 E885 | E877-R881 PolarHBondContact O-N 3.05Å; E877-R881 IonicContact OE1-NH1 3.85Å; E877-R881 PolarHBondContact OE1-NH1 3.48Å; V878-R881 WeakPolarHBondContact O-CB 3.5Å; V878-R881 PolarHBondContact O-N 2.98Å; V878-R881 VanDerWaalsContact O-N 3.1Å; K879-R881 VanDerWaalsContact C-N 3.35Å; R881-Q883 VanDerWaalsContact C-N 3.28Å; R881-Q883 PolarHBondContact O-N 3.44Å; R881-A884 PolarHBondContact O-N 3.39Å; R881-A884 VanDerWaalsContact O-N 3.11Å; R881-E885 WeakPolarHBondContact O-CB 3.26Å; R881-E885 PolarHBondContact O-N 2.96Å |
| 882 | E | 81.1 | Confident | 79.8 | Confident | 75 Ų | 75 | 93.5 Ų | 93.5 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57 | -42.8 | 176.1 | -71.7 | 170.3 | 172.1 | 0 | 0 | 111.4 | V878 E885 L886 | V878-E882 HydrophobicContact CG1-CG 4.4Å; V878-E882 WeakPolarHBondContact O-CG 3.46Å; V878-E882 PolarHBondContact O-N 2.94Å; E882-E885 PolarHBondContact O-N 3.31Å; E882-L886 WeakPolarHBondContact O-CB 3.4Å; E882-L886 VanDerWaalsContact O-CG 3.28Å; E882-L886 WeakPolarHBondContact O-CG 3.44Å; E882-L886 PolarHBondContact O-N 3.07Å |
| 883 | Q | 81.7 | Confident | 80.1 | Confident | 130 Ų | 130 | 93.7 Ų | 93.7 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.4 | -40.7 | 175.6 | -75.2 | 177 | 1.3 | 0 | 0 | 112.7 | K879 R881 L887 | K879-Q883 WeakPolarHBondContact O-CB 3.34Å; K879-Q883 VanDerWaalsContact O-CG 3.29Å; K879-Q883 WeakPolarHBondContact O-CG 3.35Å; K879-Q883 PolarHBondContact O-N 3.49Å; R881-Q883 VanDerWaalsContact C-N 3.28Å; R881-Q883 PolarHBondContact O-N 3.44Å; Q883-L887 WeakPolarHBondContact O-CG 3.25Å; Q883-L887 PolarHBondContact O-N 3.14Å; Q883-L887 VanDerWaalsContact O-N 3.11Å |
| 884 | A | 79.1 | Confident | 80.5 | Confident | 51 Ų | 51 | 98 Ų | 98 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | A880 R881 L887 L888 | A880-A884 WeakPolarHBondContact O-CB 3.4Å; A880-A884 PolarHBondContact O-N 3.04Å; R881-A884 PolarHBondContact O-N 3.39Å; R881-A884 VanDerWaalsContact O-N 3.11Å; A884-L887 PolarHBondContact O-N 2.98Å; A884-L888 PolarHBondContact O-N 3.26Å |
| 885 | E | 81.4 | Confident | 80.6 | Confident | 100 Ų | 100 | 97.3 Ų | 97.3 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.2 | -41 | 178.4 | -167.2 | 158.1 | -159.9 | 0 | 0 | 111.8 | R881 E882 L887 L888 Q889 | R881-E885 WeakPolarHBondContact O-CB 3.26Å; R881-E885 PolarHBondContact O-N 2.96Å; E882-E885 PolarHBondContact O-N 3.31Å; E885-L887 VanDerWaalsContact C-N 3.33Å; E885-L887 PolarHBondContact O-N 2.97Å; E885-L888 WeakPolarHBondContact O-CB 3.43Å; E885-L888 PolarHBondContact O-N 3.37Å; E885-Q889 WeakPolarHBondContact O-CG 3.49Å; E885-Q889 PolarHBondContact O-N 3.29Å |
| 886 | L | 85.7 | Confident | 81.1 | Confident | 112 Ų | 112 | 97.6 Ų | 97.6 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.9 | -39.8 | 171.4 | -73.5 | 171.4 | 0 | 0 | 0 | 112.5 | E882 Q889 E890 | E882-L886 WeakPolarHBondContact O-CB 3.4Å; E882-L886 VanDerWaalsContact O-CG 3.28Å; E882-L886 WeakPolarHBondContact O-CG 3.44Å; E882-L886 PolarHBondContact O-N 3.07Å; L886-Q889 PolarHBondContact O-N 3.05Å; L886-E890 WeakPolarHBondContact O-CB 3.35Å; L886-E890 PolarHBondContact O-N 2.95Å |
| 887 | L | 85.5 | Confident | 81.4 | Confident | 105 Ų | 105 | 98.1 Ų | 98.1 | 55% | 0.55 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 176.2 | -74 | 171.8 | 0 | 0 | 0 | 112.2 | Q883 A884 E885 E890 V891 | Q883-L887 WeakPolarHBondContact O-CG 3.25Å; Q883-L887 PolarHBondContact O-N 3.14Å; Q883-L887 VanDerWaalsContact O-N 3.11Å; A884-L887 PolarHBondContact O-N 2.98Å; E885-L887 VanDerWaalsContact C-N 3.33Å; E885-L887 PolarHBondContact O-N 2.97Å; L887-E890 PolarHBondContact O-N 3.02Å; L887-V891 WeakPolarHBondContact O-CG2 3.36Å; L887-V891 PolarHBondContact O-N 3.44Å |
| 888 | L | 78.7 | Confident | 81.5 | Confident | 106 Ų | 106 | 97.6 Ų | 97.6 | 56% | 0.555 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.3 | -47 | 173.8 | -107.3 | 151.8 | 0 | 0 | 0 | 111 | A884 E885 E890 V891 E892 | A884-L888 PolarHBondContact O-N 3.26Å; E885-L888 WeakPolarHBondContact O-CB 3.43Å; E885-L888 PolarHBondContact O-N 3.37Å; L888-E890 VanDerWaalsContact C-N 3.33Å; L888-E890 PolarHBondContact O-N 3.31Å; L888-V891 PolarHBondContact O-N 3.48Å; L888-E892 WeakPolarHBondContact O-CG 3.41Å; L888-E892 PolarHBondContact O-N 2.9Å |
| 889 | Q | 82.2 | Confident | 81.7 | Confident | 105 Ų | 105 | 102 Ų | 102 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 175.2 | -73 | 177.2 | -3.1 | 0 | 0 | 112.2 | E885 L886 V891 E892 A893 | E885-Q889 WeakPolarHBondContact O-CG 3.49Å; E885-Q889 PolarHBondContact O-N 3.29Å; L886-Q889 PolarHBondContact O-N 3.05Å; Q889-V891 PolarHBondContact O-N 3.41Å; Q889-E892 PolarHBondContact O-N 3.39Å; Q889-A893 WeakPolarHBondContact O-CB 3.38Å; Q889-A893 PolarHBondContact O-N 3.04Å |
| 890 | E | 84.8 | Confident | 81.8 | Confident | 84 Ų | 84 | 98.8 Ų | 98.8 | 39% | 0.393 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 175.6 | -172.6 | -177.5 | 161.2 | 0 | 0 | 112.1 | L886 L887 L888 R894 | L886-E890 WeakPolarHBondContact O-CB 3.35Å; L886-E890 PolarHBondContact O-N 2.95Å; L887-E890 PolarHBondContact O-N 3.02Å; L888-E890 VanDerWaalsContact C-N 3.33Å; L888-E890 PolarHBondContact O-N 3.31Å; E890-R894 WeakPolarHBondContact O-CB 3.38Å; E890-R894 WeakPolarHBondContact O-CG 3.24Å; E890-R894 PolarHBondContact O-N 2.96Å; E890-R894 IonicContact OE1-CZ 2.63Å; E890-R894 IonicContact OE1-NH1 3.27Å; E890-R894 PolarHBondContact OE1-NH1 2.9Å; E890-R894 IonicContact OE1-NH2 3.87Å; E890-R894 PolarHBondContact OE1-NH2 3.39Å |
| 891 | V | 79.3 | Confident | 82.1 | Confident | 82 Ų | 82 | 100.7 Ų | 100.7 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.2 | -41.9 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L887 L888 Q889 R894 L895 | L887-V891 WeakPolarHBondContact O-CG2 3.36Å; L887-V891 PolarHBondContact O-N 3.44Å; L888-V891 PolarHBondContact O-N 3.48Å; Q889-V891 PolarHBondContact O-N 3.41Å; V891-R894 PolarHBondContact O-N 3.3Å; V891-L895 HydrophobicContact CG1-CD1 4.36Å; V891-L895 WeakPolarHBondContact O-CB 3.42Å; V891-L895 PolarHBondContact O-N 3.48Å |
| 892 | E | 82.5 | Confident | 82.5 | Confident | 122 Ų | 122 | 97 Ų | 97 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.2 | -44.6 | 176.1 | -73.4 | 179.9 | 170.8 | 0 | 0 | 111.8 | L888 Q889 R894 L895 K896 | L888-E892 WeakPolarHBondContact O-CG 3.41Å; L888-E892 PolarHBondContact O-N 2.9Å; Q889-E892 PolarHBondContact O-N 3.39Å; E892-R894 PolarHBondContact O-N 2.86Å; E892-L895 PolarHBondContact O-N 3.39Å; E892-K896 PolarHBondContact O-N 2.91Å |
| 893 | A | 83.9 | Confident | 82.7 | Confident | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q889 K896 E897 | Q889-A893 WeakPolarHBondContact O-CB 3.38Å; Q889-A893 PolarHBondContact O-N 3.04Å; A893-K896 PolarHBondContact O-N 2.91Å; A893-E897 WeakPolarHBondContact O-CB 3.45Å; A893-E897 PolarHBondContact O-N 2.98Å |
| 894 | R | 83.7 | Confident | 82.7 | Confident | 145 Ų | 145 | 95.7 Ų | 95.7 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 175.3 | -79.9 | -170.1 | 176.2 | 124.5 | 10.7 | 112.9 | E890 V891 E892 E897 M898 | E890-R894 WeakPolarHBondContact O-CB 3.38Å; E890-R894 WeakPolarHBondContact O-CG 3.24Å; E890-R894 PolarHBondContact O-N 2.96Å; E890-R894 IonicContact OE1-CZ 2.63Å; E890-R894 IonicContact OE1-NH1 3.27Å; E890-R894 PolarHBondContact OE1-NH1 2.9Å; E890-R894 IonicContact OE1-NH2 3.87Å; E890-R894 PolarHBondContact OE1-NH2 3.39Å; V891-R894 PolarHBondContact O-N 3.3Å; E892-R894 PolarHBondContact O-N 2.86Å; R894-E897 PolarHBondContact O-N 3.45Å; R894-M898 WeakPolarHBondContact O-CG 3.49Å; R894-M898 PolarHBondContact O-N 2.9Å |
| 895 | L | 80.9 | Confident | 82.9 | Confident | 100 Ų | 100 | 99.7 Ų | 99.7 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 176.3 | -98.9 | 164.5 | 0 | 0 | 0 | 111.6 | V891 E892 M898 Y899 | V891-L895 HydrophobicContact CG1-CD1 4.36Å; V891-L895 WeakPolarHBondContact O-CB 3.42Å; V891-L895 PolarHBondContact O-N 3.48Å; E892-L895 PolarHBondContact O-N 3.39Å; L895-M898 HydrophobicContact CD2-CE 3.89Å; L895-M898 HydrophobicContact CG-CE 4.47Å; L895-M898 PolarHBondContact O-N 2.92Å; L895-Y899 PolarHBondContact O-N 2.94Å; L895-Y899 VanDerWaalsContact O-N 3.11Å |
| 896 | K | 86.1 | Confident | 83 | Confident | 87 Ų | 87 | 97.7 Ų | 97.7 | 38% | 0.378 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 176.2 | -165.5 | -178.1 | -175.7 | -170 | 0 | 111.4 | D258 E892 A893 M898 Y899 D900 | D258-K896 PolarHBondContact O-NZ 3.5Å; D258-K896 IonicContact OD1-NZ 3.67Å; E892-K896 PolarHBondContact O-N 2.91Å; A893-K896 PolarHBondContact O-N 2.91Å; K896-M898 VanDerWaalsContact C-N 3.34Å; K896-M898 PolarHBondContact O-N 2.98Å; K896-Y899 WeakPolarHBondContact O-CA 3.43Å; K896-Y899 WeakPolarHBondContact O-CB 3.49Å; K896-Y899 PolarHBondContact O-N 3.33Å; K896-D900 PolarHBondContact O-N 3.38Å |
| 897 | E | 84.9 | Confident | 83.1 | Confident | 106 Ų | 106 | 98.1 Ų | 98.1 | 50% | 0.495 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 176.8 | -168.4 | -171.9 | 170.9 | 0 | 0 | 112.1 | A893 R894 Y899 D900 Q901 | A893-E897 WeakPolarHBondContact O-CB 3.45Å; A893-E897 PolarHBondContact O-N 2.98Å; R894-E897 PolarHBondContact O-N 3.45Å; E897-Y899 VanDerWaalsContact C-N 3.31Å; E897-Y899 PolarHBondContact O-N 2.87Å; E897-D900 PolarHBondContact O-N 2.89Å; E897-Q901 WeakPolarHBondContact O-CG 3.36Å; E897-Q901 PolarHBondContact O-N 3.43Å; E897-Q901 PolarHBondContact OE1-NE2 3.5Å |
| 898 | M | 78.1 | Confident | 83.1 | Confident | 103 Ų | 103 | 99.7 Ų | 99.7 | 51% | 0.507 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 174.7 | -73.1 | -166.5 | -44.4 | 0 | 0 | 112.1 | R894 L895 K896 Q901 I902 | R894-M898 WeakPolarHBondContact O-CG 3.49Å; R894-M898 PolarHBondContact O-N 2.9Å; L895-M898 HydrophobicContact CD2-CE 3.89Å; L895-M898 HydrophobicContact CG-CE 4.47Å; L895-M898 PolarHBondContact O-N 2.92Å; K896-M898 VanDerWaalsContact C-N 3.34Å; K896-M898 PolarHBondContact O-N 2.98Å; M898-Q901 PolarHBondContact O-N 2.99Å; M898-I902 VanDerWaalsContact O-CG1 3.3Å; M898-I902 WeakPolarHBondContact O-CG1 3.48Å; M898-I902 PolarHBondContact O-N 2.67Å |
| 899 | Y | 82.6 | Confident | 83.4 | Confident | 154 Ų | 154 | 97.1 Ų | 97.1 | 60% | 0.604 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.5 | -41.1 | 177.4 | -161.7 | -95.9 | 0 | 0 | 0 | 111.8 | L895 K896 E897 I902 N903 | L895-Y899 PolarHBondContact O-N 2.94Å; L895-Y899 VanDerWaalsContact O-N 3.11Å; K896-Y899 WeakPolarHBondContact O-CA 3.43Å; K896-Y899 WeakPolarHBondContact O-CB 3.49Å; K896-Y899 PolarHBondContact O-N 3.33Å; E897-Y899 VanDerWaalsContact C-N 3.31Å; E897-Y899 PolarHBondContact O-N 2.87Å; Y899-I902 PolarHBondContact O-N 2.73Å; Y899-N903 WeakPolarHBondContact CD1-ND2 3.39Å; Y899-N903 WeakPolarHBondContact CE1-ND2 3.34Å; Y899-N903 PolarHBondContact O-N 3.32Å; Y899-N903 PolarHBondContact O-ND2 3.37Å |
| 900 | D | 84.8 | Confident | 83.5 | Confident | 35 Ų | 35 | 98.2 Ų | 98.2 | 19% | 0.187 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -69.9 | -37.2 | 177.6 | -65.9 | -35 | 0 | 0 | 0 | 112.4 | H260 K896 E897 I902 N903 Q904 | H260-D900 IonicContact CE1-OD2 3.04Å; H260-D900 PolarHBondContact CE1-OD2 3.4Å; H260-D900 VanDerWaalsContact NE2-CG 3.34Å; H260-D900 IonicContact NE2-OD1 3.83Å; H260-D900 IonicContact NE2-OD2 3.42Å; H260-D900 PolarHBondContact NE2-OD2 3.43Å; K896-D900 PolarHBondContact O-N 3.38Å; E897-D900 PolarHBondContact O-N 2.89Å; D900-I902 VanDerWaalsContact C-N 3.32Å; D900-I902 PolarHBondContact O-N 3.39Å; D900-N903 PolarHBondContact O-N 3.19Å; D900-Q904 WeakPolarHBondContact O-CG 3.33Å; D900-Q904 PolarHBondContact O-N 3.2Å |
| 901 | Q | 82.8 | Confident | 83.6 | Confident | 92 Ų | 92 | 98.6 Ų | 98.6 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 173 | -73.4 | -176.9 | 28.5 | 0 | 0 | 111.8 | E897 M898 Q904 K905 | E897-Q901 WeakPolarHBondContact O-CG 3.36Å; E897-Q901 PolarHBondContact O-N 3.43Å; E897-Q901 PolarHBondContact OE1-NE2 3.5Å; M898-Q901 PolarHBondContact O-N 2.99Å; Q901-Q904 PolarHBondContact O-N 3.02Å; Q901-K905 WeakPolarHBondContact O-CB 3.34Å; Q901-K905 WeakPolarHBondContact O-CG 2.84Å; Q901-K905 PolarHBondContact O-N 3.01Å |
| 902 | I | 82.6 | Confident | 83.7 | Confident | 90 Ų | 90 | 100.5 Ų | 100.5 | 46% | 0.462 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -48.3 | 174.5 | -70.2 | 166.3 | 0 | 0 | 0 | 110 | M898 Y899 D900 Q904 K905 D906 | M898-I902 VanDerWaalsContact O-CG1 3.3Å; M898-I902 WeakPolarHBondContact O-CG1 3.48Å; M898-I902 PolarHBondContact O-N 2.67Å; Y899-I902 PolarHBondContact O-N 2.73Å; D900-I902 VanDerWaalsContact C-N 3.32Å; D900-I902 PolarHBondContact O-N 3.39Å; I902-Q904 VanDerWaalsContact C-N 3.35Å; I902-Q904 PolarHBondContact O-N 3.18Å; I902-K905 PolarHBondContact O-N 3.04Å; I902-K905 VanDerWaalsContact O-N 3.14Å; I902-D906 PolarHBondContact O-N 3.3Å |
| 903 | N | 85.1 | Confident | 83.8 | Confident | 66 Ų | 66 | 99 Ų | 99 | 35% | 0.353 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 178.3 | -74 | -31.9 | 0 | 0 | 0 | 112.9 | Y899 D900 D906 L907 | Y899-N903 WeakPolarHBondContact CD1-ND2 3.39Å; Y899-N903 WeakPolarHBondContact CE1-ND2 3.34Å; Y899-N903 PolarHBondContact O-N 3.32Å; Y899-N903 PolarHBondContact O-ND2 3.37Å; D900-N903 PolarHBondContact O-N 3.19Å; N903-D906 PolarHBondContact O-N 3.1Å; N903-L907 WeakPolarHBondContact O-CG 3.3Å; N903-L907 PolarHBondContact O-N 3.04Å |
| 904 | Q | 81.9 | Confident | 83.9 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 175.4 | -75.3 | -174.9 | 19.8 | 0 | 0 | 112.3 | D900 Q901 I902 D906 L907 K908 | D900-Q904 WeakPolarHBondContact O-CG 3.33Å; D900-Q904 PolarHBondContact O-N 3.2Å; Q901-Q904 PolarHBondContact O-N 3.02Å; I902-Q904 VanDerWaalsContact C-N 3.35Å; I902-Q904 PolarHBondContact O-N 3.18Å; Q904-D906 VanDerWaalsContact C-N 3.35Å; Q904-L907 PolarHBondContact O-N 3.47Å; Q904-K908 WeakPolarHBondContact O-CG 3.22Å; Q904-K908 PolarHBondContact O-N 3.06Å |
| 905 | K | 82.9 | Confident | 83.8 | Confident | 135 Ų | 135 | 101.8 Ų | 101.8 | 59% | 0.587 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.3 | -39.9 | 175.4 | -75.6 | -175.8 | 179.4 | -179.9 | 0 | 111.1 | Q901 I902 L907 K908 I909 | Q901-K905 WeakPolarHBondContact O-CB 3.34Å; Q901-K905 WeakPolarHBondContact O-CG 2.84Å; Q901-K905 PolarHBondContact O-N 3.01Å; I902-K905 PolarHBondContact O-N 3.04Å; I902-K905 VanDerWaalsContact O-N 3.14Å; K905-L907 PolarHBondContact O-N 3.47Å; K905-K908 PolarHBondContact O-N 2.8Å; K905-I909 VanDerWaalsContact O-CG1 3.26Å; K905-I909 WeakPolarHBondContact O-CG1 3.1Å; K905-I909 PolarHBondContact O-N 3.29Å |
| 906 | D | 84.9 | Confident | 83.8 | Confident | 59 Ų | 59 | 101.3 Ų | 101.3 | 32% | 0.316 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 174.8 | -82.9 | -9.4 | 0 | 0 | 0 | 113.1 | I902 N903 Q904 I909 K910 | I902-D906 PolarHBondContact O-N 3.3Å; N903-D906 PolarHBondContact O-N 3.1Å; Q904-D906 VanDerWaalsContact C-N 3.35Å; D906-I909 PolarHBondContact O-N 3.44Å; D906-K910 WeakPolarHBondContact O-CG 3.47Å; D906-K910 PolarHBondContact O-N 3.49Å |
| 907 | L | 86.8 | Confident | 83.7 | Confident | 120 Ų | 120 | 103.8 Ų | 103.8 | 63% | 0.628 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.6 | -40.9 | 173.5 | -70.9 | 173.3 | 0 | 0 | 0 | 112 | N903 Q904 K905 K910 E911 | N903-L907 WeakPolarHBondContact O-CG 3.3Å; N903-L907 PolarHBondContact O-N 3.04Å; Q904-L907 PolarHBondContact O-N 3.47Å; K905-L907 PolarHBondContact O-N 3.47Å; L907-K910 PolarHBondContact O-N 2.94Å; L907-E911 PolarHBondContact O-N 3.1Å |
| 908 | K | 85.4 | Confident | 83.6 | Confident | 139 Ų | 139 | 104.1 Ų | 104.1 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 176.1 | -74.7 | 178.7 | 178.6 | 176.1 | 0 | 112.2 | Q904 K905 E911 Q912 | Q904-K908 WeakPolarHBondContact O-CG 3.22Å; Q904-K908 PolarHBondContact O-N 3.06Å; K905-K908 PolarHBondContact O-N 2.8Å; K908-E911 PolarHBondContact O-N 3.43Å; K908-Q912 WeakPolarHBondContact O-CG 3.49Å; K908-Q912 PolarHBondContact O-N 3.06Å |
| 909 | I | 84.4 | Confident | 83.7 | Confident | 52 Ų | 52 | 103.4 Ų | 103.4 | 27% | 0.267 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 175.3 | -70.7 | 165.1 | 0 | 0 | 0 | 109.8 | K905 D906 E911 Q912 D913 | K905-I909 VanDerWaalsContact O-CG1 3.26Å; K905-I909 WeakPolarHBondContact O-CG1 3.1Å; K905-I909 PolarHBondContact O-N 3.29Å; D906-I909 PolarHBondContact O-N 3.44Å; I909-E911 VanDerWaalsContact C-N 3.28Å; I909-E911 PolarHBondContact O-N 3.13Å; I909-Q912 WeakPolarHBondContact O-CB 3.49Å; I909-Q912 PolarHBondContact O-N 3.23Å; I909-Q912 VanDerWaalsContact O-N 3.13Å; I909-D913 PolarHBondContact O-N 3.38Å |
| 910 | K | 85.4 | Confident | 83.6 | Confident | 127 Ų | 127 | 100.8 Ų | 100.8 | 55% | 0.552 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.7 | -36.2 | 176.8 | -74.2 | 171.6 | -178.1 | 168.8 | 0 | 113.3 | D906 L907 R914 | D906-K910 WeakPolarHBondContact O-CG 3.47Å; D906-K910 PolarHBondContact O-N 3.49Å; L907-K910 PolarHBondContact O-N 2.94Å; K910-R914 WeakPolarHBondContact O-CG 3.09Å; K910-R914 PolarHBondContact O-N 2.91Å |
| 911 | E | 86.6 | Confident | 83.4 | Confident | 93 Ų | 93 | 102.3 Ų | 102.3 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.9 | -38.9 | 176.2 | -171.8 | 59.7 | -163.4 | 0 | 0 | 111.9 | L907 K908 I909 D913 R914 I915 | L907-E911 PolarHBondContact O-N 3.1Å; K908-E911 PolarHBondContact O-N 3.43Å; I909-E911 VanDerWaalsContact C-N 3.28Å; I909-E911 PolarHBondContact O-N 3.13Å; E911-D913 VanDerWaalsContact C-N 3.34Å; E911-D913 PolarHBondContact O-N 3.25Å; E911-R914 WeakPolarHBondContact O-CB 3.49Å; E911-R914 PolarHBondContact O-N 2.62Å; E911-R914 IonicContact OE2-NH1 3.85Å; E911-R914 PolarHBondContact OE2-NH1 3.35Å; E911-I915 HydrophobicContact CG-CD1 4.42Å; E911-I915 WeakPolarHBondContact O-CG1 3.47Å; E911-I915 PolarHBondContact O-N 3.22Å |
| 912 | Q | 80.8 | Confident | 83.1 | Confident | 121 Ų | 121 | 102.4 Ų | 102.4 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.1 | -41.6 | 172.5 | -74.1 | 179.6 | -15.5 | 0 | 0 | 111.8 | K908 I909 R914 I915 I916 | K908-Q912 WeakPolarHBondContact O-CG 3.49Å; K908-Q912 PolarHBondContact O-N 3.06Å; I909-Q912 WeakPolarHBondContact O-CB 3.49Å; I909-Q912 PolarHBondContact O-N 3.23Å; I909-Q912 VanDerWaalsContact O-N 3.13Å; Q912-R914 VanDerWaalsContact C-N 3.3Å; Q912-R914 PolarHBondContact O-N 3.13Å; Q912-I915 PolarHBondContact O-N 3Å; Q912-I916 VanDerWaalsContact O-CG1 3.26Å; Q912-I916 WeakPolarHBondContact O-CG1 3.48Å; Q912-I916 PolarHBondContact O-N 3.25Å |
| 913 | D | 86 | Confident | 82.9 | Confident | 90 Ų | 90 | 103.8 Ų | 103.8 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 175.4 | -72.1 | -28.9 | 0 | 0 | 0 | 111.6 | I909 E911 I916 E917 | I909-D913 PolarHBondContact O-N 3.38Å; E911-D913 VanDerWaalsContact C-N 3.34Å; E911-D913 PolarHBondContact O-N 3.25Å; D913-I916 PolarHBondContact O-N 3.24Å; D913-E917 WeakPolarHBondContact O-CB 3.27Å; D913-E917 PolarHBondContact O-N 3.35Å |
| 914 | R | 84.9 | Confident | 82.5 | Confident | 170 Ų | 170 | 106 Ų | 106 | 64% | 0.642 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 174.3 | -74.3 | 174.9 | 177.2 | 175 | -1.7 | 112.7 | K910 E911 Q912 E917 H918 | K910-R914 WeakPolarHBondContact O-CG 3.09Å; K910-R914 PolarHBondContact O-N 2.91Å; E911-R914 WeakPolarHBondContact O-CB 3.49Å; E911-R914 PolarHBondContact O-N 2.62Å; E911-R914 IonicContact OE2-NH1 3.85Å; E911-R914 PolarHBondContact OE2-NH1 3.35Å; Q912-R914 VanDerWaalsContact C-N 3.3Å; Q912-R914 PolarHBondContact O-N 3.13Å; R914-E917 PolarHBondContact O-N 3.04Å; R914-H918 WeakPolarHBondContact O-CB 3.19Å; R914-H918 PolarHBondContact O-N 3.5Å |
| 915 | I | 82.1 | Confident | 82.2 | Confident | 87 Ų | 87 | 106.9 Ų | 106.9 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 177.7 | -67 | 166.6 | 0 | 0 | 0 | 110.1 | E911 Q912 E917 H918 L919 | E911-I915 HydrophobicContact CG-CD1 4.42Å; E911-I915 WeakPolarHBondContact O-CG1 3.47Å; E911-I915 PolarHBondContact O-N 3.22Å; Q912-I915 PolarHBondContact O-N 3Å; I915-E917 VanDerWaalsContact C-N 3.32Å; I915-E917 PolarHBondContact O-N 3.05Å; I915-H918 PolarHBondContact O-N 3.38Å; I915-L919 HydrophobicContact CG2-CD1 3.92Å; I915-L919 HydrophobicContact CG2-CG 4.39Å; I915-L919 WeakPolarHBondContact O-CB 3.41Å; I915-L919 WeakPolarHBondContact O-CG 3.33Å; I915-L919 PolarHBondContact O-N 3.31Å |
| 916 | I | 81.6 | Confident | 81.6 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 176.4 | -69.6 | 165.5 | 0 | 0 | 0 | 110.4 | Q912 D913 L919 N920 | Q912-I916 VanDerWaalsContact O-CG1 3.26Å; Q912-I916 WeakPolarHBondContact O-CG1 3.48Å; Q912-I916 PolarHBondContact O-N 3.25Å; D913-I916 PolarHBondContact O-N 3.24Å; I916-L919 PolarHBondContact O-N 2.89Å; I916-N920 WeakPolarHBondContact O-CB 3.38Å; I916-N920 VanDerWaalsContact O-CG 3.29Å; I916-N920 PolarHBondContact O-N 3Å; I916-N920 PolarHBondContact O-ND2 3.07Å |
| 917 | E | 82.8 | Confident | 81.2 | Confident | 139 Ų | 139 | 102.8 Ų | 102.8 | 65% | 0.65 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68 | -36.8 | 178.9 | -166.5 | 143.7 | -145.3 | 0 | 0 | 112.7 | D913 R914 I915 N920 S921 | D913-E917 WeakPolarHBondContact O-CB 3.27Å; D913-E917 PolarHBondContact O-N 3.35Å; R914-E917 PolarHBondContact O-N 3.04Å; I915-E917 VanDerWaalsContact C-N 3.32Å; I915-E917 PolarHBondContact O-N 3.05Å; E917-N920 PolarHBondContact O-N 2.84Å; E917-S921 PolarHBondContact O-N 3.14Å; E917-S921 PolarHBondContact O-OG 3.49Å |
| 918 | H | 84.3 | Confident | 80.7 | Confident | 113 Ų | 113 | 100.6 Ų | 100.6 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 172.4 | -171.7 | 69.1 | 0 | 0 | 0 | 112 | R914 I915 N920 S921 Q922 | R914-H918 WeakPolarHBondContact O-CB 3.19Å; R914-H918 PolarHBondContact O-N 3.5Å; I915-H918 PolarHBondContact O-N 3.38Å; H918-N920 PolarHBondContact O-N 2.75Å; H918-S921 WeakPolarHBondContact O-CB 3.33Å; H918-S921 PolarHBondContact O-N 2.82Å; H918-Q922 PolarHBondContact CD2-NE2 3.49Å; H918-Q922 PolarHBondContact NE2-NE2 3.48Å; H918-Q922 PolarHBondContact O-N 3.47Å |
| 919 | L | 79.7 | Confident | 79.9 | Confident | 88 Ų | 88 | 100 Ų | 100 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 176.9 | -73.5 | 170.2 | 0 | 0 | 0 | 111.6 | I915 I916 S921 Q922 L923 | I915-L919 HydrophobicContact CG2-CD1 3.92Å; I915-L919 HydrophobicContact CG2-CG 4.39Å; I915-L919 WeakPolarHBondContact O-CB 3.41Å; I915-L919 WeakPolarHBondContact O-CG 3.33Å; I915-L919 PolarHBondContact O-N 3.31Å; I916-L919 PolarHBondContact O-N 2.89Å; L919-S921 VanDerWaalsContact C-N 3.29Å; L919-S921 PolarHBondContact O-N 3.32Å; L919-Q922 PolarHBondContact O-N 2.93Å; L919-L923 WeakPolarHBondContact O-CB 3.26Å; L919-L923 PolarHBondContact O-N 3.06Å |
| 920 | N | 81 | Confident | 79.1 | Confident | 99 Ų | 99 | 100 Ų | 100 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 174.9 | -79.2 | -27.5 | 0 | 0 | 0 | 112 | I916 E917 H918 L923 L924 | I916-N920 WeakPolarHBondContact O-CB 3.38Å; I916-N920 VanDerWaalsContact O-CG 3.29Å; I916-N920 PolarHBondContact O-N 3Å; I916-N920 PolarHBondContact O-ND2 3.07Å; E917-N920 PolarHBondContact O-N 2.84Å; H918-N920 PolarHBondContact O-N 2.75Å; N920-L923 PolarHBondContact O-N 3.01Å; N920-L924 WeakPolarHBondContact O-CB 3.37Å; N920-L924 PolarHBondContact O-N 2.94Å |
| 921 | S | 78.8 | Confident | 78.2 | Confident | 68 Ų | 68 | 101.8 Ų | 101.8 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 175.1 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | E917 H918 L919 L923 L924 E925 | E917-S921 PolarHBondContact O-N 3.14Å; E917-S921 PolarHBondContact O-OG 3.49Å; H918-S921 WeakPolarHBondContact O-CB 3.33Å; H918-S921 PolarHBondContact O-N 2.82Å; L919-S921 VanDerWaalsContact C-N 3.29Å; L919-S921 PolarHBondContact O-N 3.32Å; S921-L923 PolarHBondContact O-N 3.36Å; S921-L924 PolarHBondContact O-N 3.4Å; S921-E925 WeakPolarHBondContact O-CB 3.37Å; S921-E925 PolarHBondContact O-N 3.18Å |
| 922 | Q | 78.2 | Confident | 76.9 | Confident | 93 Ų | 93 | 102.7 Ų | 102.7 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 175.7 | -69.3 | -175.3 | -3.2 | 0 | 0 | 112.5 | H918 L919 L924 E925 A926 | H918-Q922 PolarHBondContact CD2-NE2 3.49Å; H918-Q922 PolarHBondContact NE2-NE2 3.48Å; H918-Q922 PolarHBondContact O-N 3.47Å; L919-Q922 PolarHBondContact O-N 2.93Å; Q922-L924 VanDerWaalsContact C-N 3.34Å; Q922-E925 PolarHBondContact O-N 2.74Å; Q922-A926 WeakPolarHBondContact O-CB 3.47Å; Q922-A926 PolarHBondContact O-N 3.02Å |
| 923 | L | 76.8 | Confident | 75.7 | Confident | 119 Ų | 119 | 100.6 Ų | 100.6 | 62% | 0.623 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | 177.3 | -119.6 | 150.6 | 0 | 0 | 0 | 111.6 | L919 N920 S921 E925 S927 | L919-L923 WeakPolarHBondContact O-CB 3.26Å; L919-L923 PolarHBondContact O-N 3.06Å; N920-L923 PolarHBondContact O-N 3.01Å; S921-L923 PolarHBondContact O-N 3.36Å; L923-E925 VanDerWaalsContact C-N 3.33Å; L923-S927 WeakPolarHBondContact O-CB 3.31Å; L923-S927 PolarHBondContact O-N 3.49Å |
| 924 | L | 78.5 | Confident | 74.2 | Confident | 112 Ų | 112 | 105.5 Ų | 105.5 | 59% | 0.586 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | 174.3 | -172.7 | 66.3 | 0 | 0 | 0 | 111.1 | N920 S921 Q922 S927 N928 | N920-L924 WeakPolarHBondContact O-CB 3.37Å; N920-L924 PolarHBondContact O-N 2.94Å; S921-L924 PolarHBondContact O-N 3.4Å; Q922-L924 VanDerWaalsContact C-N 3.34Å; L924-S927 PolarHBondContact O-N 3.21Å; L924-N928 WeakPolarHBondContact O-CB 3.23Å; L924-N928 PolarHBondContact O-N 2.92Å; L924-N928 PolarHBondContact O-ND2 3.26Å |
| 925 | E | 74.2 | Confident | 72.7 | Confident | 131 Ų | 131 | 104.2 Ų | 104.2 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.3 | -45 | 179 | -154 | 162.3 | -141.6 | 0 | 0 | 112.1 | S921 Q922 L923 S927 N928 Q929 | S921-E925 WeakPolarHBondContact O-CB 3.37Å; S921-E925 PolarHBondContact O-N 3.18Å; Q922-E925 PolarHBondContact O-N 2.74Å; L923-E925 VanDerWaalsContact C-N 3.33Å; E925-S927 VanDerWaalsContact C-N 3.35Å; E925-S927 PolarHBondContact O-N 3.44Å; E925-N928 PolarHBondContact O-N 3.03Å; E925-Q929 PolarHBondContact O-N 3.48Å |
| 926 | A | 70.2 | Confident | 71.2 | Confident | 55 Ų | 55 | 105.3 Ų | 105.3 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q922 Q929 A930 | Q922-A926 WeakPolarHBondContact O-CB 3.47Å; Q922-A926 PolarHBondContact O-N 3.02Å; A926-Q929 PolarHBondContact O-N 3.4Å; A926-A930 WeakPolarHBondContact O-CB 3.28Å; A926-A930 PolarHBondContact O-N 2.82Å |
| 927 | S | 75.9 | Confident | 69.4 | Low | 52 Ų | 52 | 106.7 Ų | 106.7 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 175 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | L923 L924 E925 A930 R931 | L923-S927 WeakPolarHBondContact O-CB 3.31Å; L923-S927 PolarHBondContact O-N 3.49Å; L924-S927 PolarHBondContact O-N 3.21Å; E925-S927 VanDerWaalsContact C-N 3.35Å; E925-S927 PolarHBondContact O-N 3.44Å; S927-A930 PolarHBondContact O-N 3.41Å; S927-R931 WeakPolarHBondContact O-CG 3.36Å; S927-R931 PolarHBondContact O-N 2.84Å |
| 928 | N | 76.2 | Confident | 67.3 | Low | 75 Ų | 75 | 106.6 Ų | 106.6 | 40% | 0.401 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.7 | -40.8 | 174.4 | -73.3 | -24.8 | 0 | 0 | 0 | 111.8 | L924 E925 R931 L932 | L924-N928 WeakPolarHBondContact O-CB 3.23Å; L924-N928 PolarHBondContact O-N 2.92Å; L924-N928 PolarHBondContact O-ND2 3.26Å; E925-N928 PolarHBondContact O-N 3.03Å; N928-R931 PolarHBondContact O-N 3Å; N928-L932 PolarHBondContact O-N 3.08Å |
| 929 | Q | 69.8 | Low | 65.2 | Low | 127 Ų | 127 | 105.6 Ų | 105.6 | 59% | 0.593 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.9 | -43.8 | 172.7 | -79 | -177.4 | -4.3 | 0 | 0 | 112.2 | E925 A926 R931 L932 C933 | E925-Q929 PolarHBondContact O-N 3.48Å; A926-Q929 PolarHBondContact O-N 3.4Å; Q929-R931 VanDerWaalsContact C-N 3.29Å; Q929-R931 PolarHBondContact O-N 3.41Å; Q929-L932 WeakPolarHBondContact O-CB 3.39Å; Q929-L932 PolarHBondContact O-N 3.49Å; Q929-C933 PolarHBondContact O-N 3.31Å; Q929-C933 PolarHBondContact O-SG 2.91Å; Q929-C933 VanDerWaalsContact O-SG 3.36Å |
| 930 | A | 66.9 | Low | 63.1 | Low | 51 Ų | 51 | 106.1 Ų | 106.1 | 42% | 0.421 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.6 | -36.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A926 S927 R934 | A926-A930 WeakPolarHBondContact O-CB 3.28Å; A926-A930 PolarHBondContact O-N 2.82Å; S927-A930 PolarHBondContact O-N 3.41Å; A930-R934 WeakPolarHBondContact O-CG 3.4Å; A930-R934 PolarHBondContact O-N 2.98Å; A930-R934 VanDerWaalsContact O-N 3.09Å |
| 931 | R | 67.1 | Low | 60.9 | Low | 165 Ų | 165 | 108.3 Ų | 108.3 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.8 | -43.5 | 172.5 | -76.8 | 179.4 | -178.7 | 177.5 | 0.6 | 112.2 | S927 N928 Q929 R934 M935 | S927-R931 WeakPolarHBondContact O-CG 3.36Å; S927-R931 PolarHBondContact O-N 2.84Å; N928-R931 PolarHBondContact O-N 3Å; Q929-R931 VanDerWaalsContact C-N 3.29Å; Q929-R931 PolarHBondContact O-N 3.41Å; R931-R934 PolarHBondContact O-N 3.13Å; R931-M935 WeakPolarHBondContact O-CG 3.04Å; R931-M935 PolarHBondContact O-N 3.08Å |
| 932 | L | 59.5 | Low | 58.6 | Low | 111 Ų | 111 | 112.7 Ų | 112.7 | 58% | 0.581 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.9 | -43 | 174.6 | -88.6 | 151.1 | 0 | 0 | 0 | 112.3 | N928 Q929 R934 M935 N936 | N928-L932 PolarHBondContact O-N 3.08Å; Q929-L932 WeakPolarHBondContact O-CB 3.39Å; Q929-L932 PolarHBondContact O-N 3.49Å; L932-R934 VanDerWaalsContact C-N 3.33Å; L932-R934 PolarHBondContact O-N 3.13Å; L932-M935 PolarHBondContact O-N 2.9Å; L932-N936 PolarHBondContact O-N 3.44Å; L932-N936 VanDerWaalsContact O-N 3.07Å |
| 933 | C | 54.6 | Low | 56.3 | Low | 78 Ų | 78 | 113 Ų | 113 | 53% | 0.527 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65 | -35.2 | 176.8 | -69.3 | 0 | 0 | 0 | 0 | 112.6 | Q929 N937 | Q929-C933 PolarHBondContact O-N 3.31Å; Q929-C933 PolarHBondContact O-SG 2.91Å; Q929-C933 VanDerWaalsContact O-SG 3.36Å; C933-N937 PolarHBondContact O-N 3.13Å |
| 934 | R | 55.2 | Low | 54 | Low | 192 Ų | 192 | 111.2 Ų | 111.2 | 73% | 0.725 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.6 | -42.5 | 173.5 | -75.2 | -176.8 | -174.5 | -166.2 | 1.9 | 112 | A930 R931 L932 N936 N937 D938 | A930-R934 WeakPolarHBondContact O-CG 3.4Å; A930-R934 PolarHBondContact O-N 2.98Å; A930-R934 VanDerWaalsContact O-N 3.09Å; R931-R934 PolarHBondContact O-N 3.13Å; L932-R934 VanDerWaalsContact C-N 3.33Å; L932-R934 PolarHBondContact O-N 3.13Å; R934-N936 VanDerWaalsContact C-N 3.29Å; R934-N936 PolarHBondContact O-N 2.88Å; R934-N937 PolarHBondContact O-N 3.42Å; R934-D938 PolarHBondContact O-N 3.19Å |
| 935 | M | 53.2 | Low | 51.6 | Low | 144 Ų | 144 | 113.2 Ų | 113.2 | 71% | 0.709 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.9 | -30.5 | 177.5 | -69.4 | -178.9 | 70.6 | 0 | 0 | 113.3 | R931 L932 | R931-M935 WeakPolarHBondContact O-CG 3.04Å; R931-M935 PolarHBondContact O-N 3.08Å; L932-M935 PolarHBondContact O-N 2.9Å |
| 936 | N | 49.9 | Very low | 49.3 | Very low | 110 Ų | 110 | 117.3 Ų | 117.3 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -78.1 | -33.3 | 176 | -86.2 | -1.1 | 0 | 0 | 0 | 113.4 | L932 R934 S939 | L932-N936 PolarHBondContact O-N 3.44Å; L932-N936 VanDerWaalsContact O-N 3.07Å; R934-N936 VanDerWaalsContact C-N 3.29Å; R934-N936 PolarHBondContact O-N 2.88Å; N936-S939 PolarHBondContact O-N 3.21Å; N936-S939 PolarHBondContact O-OG 2.81Å |
| 937 | N | 44 | Very low | 47.2 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.7 | -23.8 | -178.7 | -82.3 | -7.3 | 0 | 0 | 0 | 113.8 | C933 R934 S939 | C933-N937 PolarHBondContact O-N 3.13Å; R934-N937 PolarHBondContact O-N 3.42Å; N937-S939 PolarHBondContact O-N 2.91Å |
| 938 | D | 39.9 | Very low | 45.4 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -10.6 | 174.3 | -69.6 | -23.6 | 0 | 0 | 0 | 112.8 | R934 | R934-D938 PolarHBondContact O-N 3.19Š|
| 939 | S | 39.6 | Very low | 43 | Very low | 91 Ų | 91 | 132 Ų | 132 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -5.5 | 179.1 | 76.3 | 0 | 0 | 0 | 0 | 115.2 | N936 N937 | N936-S939 PolarHBondContact O-N 3.21Å; N936-S939 PolarHBondContact O-OG 2.81Å; N937-S939 PolarHBondContact O-N 2.91Å |
| 940 | V | 36.4 | Very low | 40.7 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 60% | 0.6 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -98.5 | -9.5 | -170.7 | -170 | 0 | 0 | 0 | 0 | 113.7 | ||
| 941 | N | 33.3 | Very low | 38.7 | Very low | 145 Ų | 145 | 134 Ų | 134 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -111.7 | -1.2 | -172.3 | -80.9 | -16.6 | 0 | 0 | 0 | 117.7 | ||
| 942 | D | 30.8 | Very low | 36.7 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -107.9 | 30.9 | 177 | -81.1 | -20.4 | 0 | 0 | 0 | 113.8 | ||||
| 943 | A | 29.4 | Very low | 35 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | -93.8 | 19 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 944 | A | 28.8 | Very low | 33.5 | Very low | 83 Ų | 83 | 136.3 Ų | 136.3 | 69% | 0.686 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -125.1 | 105.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 945 | N | 28 | Very low | 32.1 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 84.8 | 85.8 | 170.2 | -56.7 | -30.6 | 0 | 0 | 0 | 117.6 | ||
| 946 | F | 26.1 | Very low | 30.8 | Very low | 218 Ų | 218 | 131.7 Ų | 131.7 | 96% | 0.956 | 75% | 0.747 | S | S | * | * | -161.3 | 130.4 | 114.2 | -112.5 | -82.4 | 0 | 0 | 0 | 111.6 | |||||
| 947 | M | 25.5 | Very low | 29.5 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -81.2 | 172.2 | 179.6 | -96.9 | -114.3 | 118.1 | 0 | 0 | 112.3 | ||||
| 948 | P | 39.3 | Very low | 28.6 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | trans | -101.9 | 161.1 | -130.3 | 38.6 | -37.5 | 0 | 0 | 0 | 115.9 | ||||
| 949 | K | 24.7 | Very low | 27.9 | Very low | 213 Ų | 213 | 135.9 Ų | 135.9 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | trans | -147.6 | 130.3 | 153.1 | -122.3 | 174.5 | -176.4 | 177 | 0 | 112 | ||||
| 950 | A | 22.9 | Very low | 27.1 | Very low | 82 Ų | 82 | 142.8 Ų | 142.8 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -76.8 | 151.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 951 | T | 24.7 | Very low | 26.6 | Very low | 137 Ų | 137 | 149 Ų | 149 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | 145.1 | 138.6 | 121.7 | 49.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 952 | S | 24.9 | Very low | 26.2 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 76.6 | 98.1 | 148 | -158 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 953 | E | 22.8 | Very low | 25.8 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | 80.1 | 120.5 | 90.8 | -75.5 | -157.2 | 157.7 | 0 | 0 | 116.6 | |||||
| 954 | K | 23.8 | Very low | 26 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | trans | 80.2 | 139 | 135.4 | -73.3 | 175.3 | -174.4 | 138.4 | 0 | 121.9 | ||||
| 955 | N | 26.9 | Very low | 25.8 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | 84.3 | 111.2 | 156.2 | -59.9 | -17.6 | 0 | 0 | 0 | 116.1 | ||||
| 956 | A | 25.4 | Very low | 25.6 | Very low | 88 Ų | 88 | 149.8 Ų | 149.8 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 98 | 120.5 | 58.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 957 | M | 22.2 | Very low | 25.5 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | 46.5 | 138.1 | 145.1 | -78.3 | -174.5 | 162.9 | 0 | 0 | 122 | ||||
| 958 | D | 24.2 | Very low | 25.4 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 61.8 | 108.5 | 147.8 | -65.2 | -20.2 | 0 | 0 | 0 | 118.7 | ||||
| 959 | N | 26.2 | Very low | 24.6 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | 177.2 | 145.6 | 92.9 | -100.1 | -54.6 | 0 | 0 | 0 | 113.2 | R961 | N959-R961 PolarHBondContact O-N 3.47Š| |||
| 960 | R | 23.4 | Very low | 24.6 | Very low | 236 Ų | 236 | 140.2 Ų | 140.2 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | -42.8 | 125.3 | 157 | -63 | 170.7 | 175.4 | -171.8 | -3.1 | 110.9 | ||||
| 961 | R | 24.2 | Very low | 24.9 | Very low | 230 Ų | 230 | 142.4 Ų | 142.4 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | -162.7 | 115.1 | 141.8 | -112.3 | 172.1 | -169.8 | -172.8 | 2.8 | 110.6 | N959 | N959-R961 PolarHBondContact O-N 3.47Š| ||
| 962 | S | 24.9 | Very low | 24.8 | Very low | 120 Ų | 120 | 146 Ų | 146 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -36.8 | 130.1 | 153.1 | 14.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 963 | L | 24.1 | Very low | 25 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -151.4 | 156.2 | 167.5 | -94.2 | 162.1 | 0 | 0 | 0 | 108.1 | ||||
| 964 | P | 33.5 | Very low | 25.1 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | -115.7 | 167.8 | -123.5 | 36.1 | -22.2 | 0 | 0 | 0 | 113.7 | L966 | P964-L966 PolarHBondContact O-N 2.94Š| |||
| 965 | S | 24.1 | Very low | 25.1 | Very low | 122 Ų | 122 | 144 Ų | 144 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -46.1 | 119.8 | 163.1 | -37.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 966 | L | 23.8 | Very low | 25.5 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -147.6 | 120 | 158.4 | -97.1 | 167.2 | 0 | 0 | 0 | 108.5 | P964 | P964-L966 PolarHBondContact O-N 2.94Š| ||
| 967 | D | 23.5 | Very low | 25.4 | Very low | 155 Ų | 155 | 142 Ų | 142 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -44.6 | 138.8 | 160.1 | -68.5 | -56.1 | 0 | 0 | 0 | 111.1 | ||||
| 968 | I | 24.3 | Very low | 25.6 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -148.7 | 113.8 | 147.5 | -90.9 | 134.1 | 0 | 0 | 0 | 108.3 | ||||
| 969 | S | 22.8 | Very low | 25.7 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -63.7 | 142.6 | 157.7 | 33.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 970 | S | 24.2 | Very low | 25.6 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | trans | 61 | 113 | 151.1 | -163.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 971 | P | 28.8 | Very low | 25.5 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -80.4 | 116 | 158.5 | 5.8 | 11.8 | 0 | 0 | 0 | 110.7 | ||||
| 972 | Y | 23.4 | Very low | 25.5 | Very low | 213 Ų | 213 | 136.3 Ų | 136.3 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -74.6 | 134.3 | 157.2 | -85.2 | -94.2 | 0 | 0 | 0 | 110.2 | ||||
| 973 | T | 28.1 | Very low | 25.4 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -131.5 | 100.8 | 151.1 | 38.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 974 | S | 25.7 | Very low | 25.3 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | trans | 44 | 106.4 | 135.5 | 54.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 975 | T | 24.1 | Very low | 25 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | 30.4 | 156.6 | 117.4 | 53.6 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 976 | P | 33.6 | Very low | 25 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | cis | -138.3 | 167 | 5.6 | 37.7 | -18 | 0 | 0 | 0 | 116.3 | ||||
| 977 | G | 24.6 | Very low | 25.1 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 142.8 | 96.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 978 | Q | 25.1 | Very low | 25.2 | Very low | 179 Ų | 179 | 130.7 Ų | 130.7 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | 48.3 | 107.7 | 138.1 | -64.2 | -178.1 | -24.5 | 0 | 0 | 119.4 | ||||
| 979 | N | 26.7 | Very low | 25.5 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | 176.9 | 146 | 93.8 | -96 | -23.6 | 0 | 0 | 0 | 113.3 | |||||
| 980 | S | 24 | Very low | 25.8 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -58.3 | 129.3 | 179.9 | -177.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 981 | W | 21.7 | Very low | 26.1 | Very low | 238 Ų | 238 | 134.6 Ų | 134.6 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | 24.6 | 101.4 | 128.4 | -61 | 51.3 | 0 | 0 | 0 | 116.1 | |||||
| 982 | T | 25.2 | Very low | 26.3 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -134.5 | 107.4 | 145.3 | 44.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 983 | T | 22.6 | Very low | 27 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | -61.4 | 152.6 | 155.5 | 41.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 984 | L | 22.6 | Very low | 27.7 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 76.9 | 125.1 | 178 | -62.2 | 111.7 | 0 | 0 | 0 | 113 | ||||
| 985 | D | 25.2 | Very low | 29.4 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | cis | -145.7 | 154.7 | 43 | -95.2 | -43.1 | 0 | 0 | 0 | 114.4 | ||||
| 986 | A | 25.8 | Very low | 31.6 | Very low | 93 Ų | 93 | 125 Ų | 125 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -63.4 | 124.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 987 | S | 25.8 | Very low | 33.7 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | trans | -165.2 | 106.3 | 142.9 | 3.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 988 | G | 25.5 | Very low | 36.4 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 71% | 0.709 | S | S | * | * | trans | 48.8 | 91.6 | 139.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 989 | T | 29.6 | Very low | 39.4 | Very low | 135 Ų | 135 | 116 Ų | 116 | 83% | 0.828 | 68% | 0.676 | S | S | * | * | -170.2 | 93.7 | 120 | 16.1 | 0 | 0 | 0 | 0 | 107.3 | Q991 | T989-Q991 VanDerWaalsContact C-N 3.34Å; T989-Q991 PolarHBondContact O-N 3.05Å | |||
| 990 | S | 30.4 | Very low | 41.9 | Very low | 115 Ų | 115 | 111.3 Ų | 111.3 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | trans | -58.2 | 101.1 | 167.6 | -54.6 | 0 | 0 | 0 | 0 | 107.7 | T992 | S990-T992 PolarHBondContact O-N 3.44Š| ||
| 991 | Q | 29.1 | Very low | 44.7 | Very low | 186 Ų | 186 | 110.9 Ų | 110.9 | 87% | 0.869 | 64% | 0.639 | S | S | * | * | trans | -66.2 | 87.8 | 162.9 | -69.7 | -179.1 | -4.3 | 0 | 0 | 106.5 | T989 S993 | T989-Q991 VanDerWaalsContact C-N 3.34Å; T989-Q991 PolarHBondContact O-N 3.05Å; Q991-S993 VanDerWaalsContact C-N 3.29Å; Q991-S993 PolarHBondContact O-N 3.35Å | ||
| 992 | T | 33.6 | Very low | 47.4 | Very low | 119 Ų | 119 | 101.4 Ų | 101.4 | 73% | 0.73 | 61% | 0.607 | S | S | * | * | trans | -68.8 | 95 | 167.7 | 47.9 | 0 | 0 | 0 | 0 | 106.9 | S990 T994 | S990-T992 PolarHBondContact O-N 3.44Å; T992-T994 PolarHBondContact O-N 3.22Å | ||
| 993 | S | 39.2 | Very low | 49.8 | Very low | 94 Ų | 94 | 97.1 Ų | 97.1 | 66% | 0.657 | 58% | 0.581 | S | S | * | * | trans | -52.7 | 111.8 | 166.3 | 54.8 | 0 | 0 | 0 | 0 | 108.4 | Q991 L995 | Q991-S993 VanDerWaalsContact C-N 3.29Å; Q991-S993 PolarHBondContact O-N 3.35Å; S993-L995 VanDerWaalsContact C-N 3.31Å; S993-L995 PolarHBondContact O-N 3.08Å | ||
| 994 | T | 42.4 | Very low | 52.5 | Low | 102 Ų | 102 | 92 Ų | 92 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | trans | -69.6 | 86.4 | 178.4 | 41.1 | 0 | 0 | 0 | 0 | 109.4 | T992 T996 V1045 | T992-T994 PolarHBondContact O-N 3.22Å; T994-T996 PolarHBondContact O-N 3.05Å; T994-V1045 HydrophobicContact CG2-CG1 4.46Å; T994-V1045 HydrophobicContact CG2-CG2 4.25Å | ||
| 995 | L | 61.7 | Low | 54.7 | Low | 95 Ų | 95 | 89.7 Ų | 89.7 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 119 | 173.3 | -76.1 | 156.8 | 0 | 0 | 0 | 108.9 | S993 C1046 L1049 | S993-L995 VanDerWaalsContact C-N 3.31Å; S993-L995 PolarHBondContact O-N 3.08Å; L995-C1046 WeakPolarHBondContact O-CB 3.48Å; L995-C1046 PolarHBondContact O-N 3.37Å; L995-L1049 HydrophobicContact CD1-CD1 4.47Å |
| 996 | T | 68.9 | Low | 56.7 | Low | 88 Ų | 88 | 88.9 Ų | 88.9 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | B | Isolated β-bridge | trans | -79.8 | 145.4 | 171.3 | 54.9 | 0 | 0 | 0 | 0 | 110.4 | T994 K998 I1044 | T994-T996 PolarHBondContact O-N 3.05Å; T996-K998 PolarHBondContact O-N 3.44Å; T996-I1044 WeakPolarHBondContact CA-O 3.23Å; T996-I1044 HydrophobicContact CG2-CG2 4.05Å |
| 997 | H | 79 | Confident | 58.9 | Low | 25 Ų | 25 | 85.4 Ų | 85.4 | 12% | 0.116 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 127.8 | 179.3 | -70.7 | -93.1 | 0 | 0 | 0 | 113.3 | F999 C1027 C1030 H1043 C1046 | H997-F999 HydrophobicContact CB-CD2 3.83Å; H997-F999 HydrophobicContact CB-CE2 3.35Å; H997-F999 HydrophobicContact CB-CZ 3.91Å; H997-F999 AromaticContact CG-CE2 3.96Å; H997-C1027 PolarHBondContact ND1-SG 3.28Å; H997-C1030 PolarHBondContact CE1-SG 3.41Å; H997-C1030 PolarHBondContact ND1-SG 2.82Å; H997-C1030 VanDerWaalsContact ND1-SG 3.36Å; H997-H1043 PolarHBondContact CD2-O 3.31Å; H997-H1043 PolarHBondContact NE2-O 3.21Å; H997-C1046 WeakPolarHBondContact NE2-CA 3.43Å |
| 998 | K | 81.4 | Confident | 61.4 | Low | 131 Ų | 131 | 81 Ų | 81 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | trans | -92.7 | 98.6 | 167.5 | -71.4 | -178.1 | 179.6 | 176.4 | 0 | 111.4 | T996 C1027 Q1028 | T996-K998 PolarHBondContact O-N 3.44Å; K998-C1027 CarbonylContact O-C 3.59Å; K998-C1027 VanDerWaalsContact O-CA 3.31Å; K998-C1027 WeakPolarHBondContact O-CA 3.31Å; K998-Q1028 PolarHBondContact O-N 3.35Å | ||
| 999 | F | 86.6 | Confident | 64.1 | Low | 32 Ų | 32 | 81.1 Ų | 81.1 | 14% | 0.14 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 135.9 | 178.7 | -75.6 | -73.5 | 0 | 0 | 0 | 112.6 | H997 V1025 Q1026 C1027 L1032 R1039 V1042 | H997-F999 HydrophobicContact CB-CD2 3.83Å; H997-F999 HydrophobicContact CB-CE2 3.35Å; H997-F999 HydrophobicContact CB-CZ 3.91Å; H997-F999 AromaticContact CG-CE2 3.96Å; F999-V1025 HydrophobicContact CB-CB 4.03Å; F999-V1025 HydrophobicContact CB-CG2 4.26Å; F999-V1025 HydrophobicContact CD1-CB 3.87Å; F999-V1025 HydrophobicContact CD1-CG2 3.54Å; F999-V1025 HydrophobicContact CE1-CG2 4.1Å; F999-V1025 HydrophobicContact CG-CB 4.26Å; F999-V1025 HydrophobicContact CG-CG2 4Å; F999-Q1026 WeakPolarHBondContact CA-O 3.35Å; F999-C1027 HydrophobicContact CD1-CB 4.07Å; F999-C1027 HydrophobicContact CE1-CB 3.8Å; F999-C1027 HydrophobicContact CZ-CB 4.28Å; F999-L1032 HydrophobicContact CE1-CD2 4.03Å; F999-L1032 HydrophobicContact CZ-CD2 4.08Å; F999-R1039 HydrophobicContact CD2-CG 3.67Å; F999-R1039 HydrophobicContact CE2-CG 3.88Å; F999-R1039 HydrophobicContact CG-CG 4.26Å; F999-V1042 HydrophobicContact CZ-CB 4.33Å; F999-V1042 HydrophobicContact CZ-CG1 4.17Å; F999-V1042 HydrophobicContact CZ-CG2 4.05Å |
| 1000 | T | 80.1 | Confident | 66.7 | Low | 54 Ų | 54 | 74.8 Ų | 74.8 | 33% | 0.331 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.4 | 168.3 | 43.9 | 0 | 0 | 0 | 0 | 110.4 | V1025 Q1026 Q1028 | T1000-V1025 CarbonylContact O-C 3.59Å; T1000-V1025 WeakPolarHBondContact O-CA 3.39Å; T1000-Q1026 PolarHBondContact N-O 3.22Å; T1000-Q1026 PolarHBondContact O-N 3.11Å; T1000-Q1026 PolarHBondContact OG1-O 3.22Å; T1000-Q1028 HydrophobicContact CG2-CG 3.98Å |
| 1001 | F | 83.3 | Confident | 69 | Low | 88 Ų | 88 | 75.2 Ų | 75.2 | 39% | 0.386 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 135.4 | 173.2 | -73.3 | -81.8 | 0 | 0 | 0 | 110.3 | W1022 V1025 H1036 | F1001-W1022 HydrophobicContact CB-CB 4.29Å; F1001-W1022 HydrophobicContact CB-CD2 3.89Å; F1001-W1022 HydrophobicContact CB-CE3 3.31Å; F1001-W1022 HydrophobicContact CB-CG 4.31Å; F1001-W1022 HydrophobicContact CB-CZ3 3.91Å; F1001-W1022 HydrophobicContact CD1-CB 4.34Å; F1001-W1022 HydrophobicContact CD1-CE3 4.15Å; F1001-W1022 AromaticContact CD2-CE3 3.97Å; F1001-W1022 HydrophobicContact CD2-CE3 3.97Å; F1001-W1022 HydrophobicContact CD2-CZ3 4.1Å; F1001-W1022 HydrophobicContact CG-CD2 4.48Å; F1001-W1022 AromaticContact CG-CE3 3.57Å; F1001-W1022 HydrophobicContact CG-CE3 3.57Å; F1001-W1022 HydrophobicContact CG-CZ3 4.14Å; F1001-V1025 HydrophobicContact CD1-CG1 3.81Å; F1001-V1025 HydrophobicContact CE1-CG1 3.92Å; F1001-V1025 HydrophobicContact CG-CG1 4.24Å; F1001-V1025 HydrophobicContact CZ-CG1 4.43Å; F1001-H1036 HydrophobicContact CE1-CB 4.08Å; F1001-H1036 AromaticContact CE1-CG 3.86Å; F1001-H1036 AromaticContact CE1-ND1 3.43Å; F1001-H1036 WeakPolarHBondContact CE1-ND1 3.37Å; F1001-H1036 AromaticContact CZ-CE1 3.54Å; F1001-H1036 AromaticContact CZ-ND1 3.23Å; F1001-H1036 WeakPolarHBondContact CZ-ND1 3.48Å |
| 1002 | V | 78.3 | Confident | 71.3 | Confident | 38 Ų | 38 | 68.8 Ų | 68.8 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.1 | -179.1 | 177.5 | 0 | 0 | 0 | 0 | 109.2 | F1004 G1024 Q1026 | V1002-F1004 HydrophobicContact CB-CE1 4.16Å; V1002-F1004 HydrophobicContact CB-CZ 4.09Å; V1002-F1004 HydrophobicContact CG1-CD1 4.11Å; V1002-F1004 HydrophobicContact CG1-CE1 3.85Å; V1002-F1004 HydrophobicContact CG1-CZ 4.27Å; V1002-G1024 PolarHBondContact N-O 3.46Å; V1002-G1024 VanDerWaalsContact N-O 3.08Å; V1002-Q1026 HydrophobicContact CB-CB 4.34Å; V1002-Q1026 HydrophobicContact CG2-CB 3.66Å |
| 1003 | T | 75.8 | Confident | 73.5 | Confident | 44 Ų | 44 | 65 Ų | 65 | 27% | 0.27 | 35% | 0.348 | S | S | . | . | trans | -85.2 | 114.8 | 165.8 | -59.1 | 0 | 0 | 0 | 0 | 108.9 | K1021 W1022 Q1023 F1109 | T1003-K1021 HydrophobicContact CG2-CG 4.42Å; T1003-W1022 PolarHBondContact OG1-N 2.66Å; T1003-Q1023 VanDerWaalsContact CA-OE1 3.24Å; T1003-F1109 HydrophobicContact CG2-CD1 4.46Å | ||
| 1004 | F | 77.8 | Confident | 75.2 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 4% | 0.044 | 32% | 0.323 | C | S | . | . | trans | -82.5 | 137.7 | 173.9 | -56.5 | -70.4 | 0 | 0 | 0 | 109.3 | V1002 T1008 I1017 Q1023 K1033 I1110 | V1002-F1004 HydrophobicContact CB-CE1 4.16Å; V1002-F1004 HydrophobicContact CB-CZ 4.09Å; V1002-F1004 HydrophobicContact CG1-CD1 4.11Å; V1002-F1004 HydrophobicContact CG1-CE1 3.85Å; V1002-F1004 HydrophobicContact CG1-CZ 4.27Å; F1004-T1008 HydrophobicContact CD1-CG2 4.18Å; F1004-T1008 HydrophobicContact CE1-CG2 4.38Å; F1004-T1008 HydrophobicContact CG-CG2 4.3Å; F1004-I1017 HydrophobicContact CD2-CG2 4.09Å; F1004-I1017 HydrophobicContact CE2-CD1 4Å; F1004-I1017 HydrophobicContact CE2-CG2 4.12Å; F1004-Q1023 PolarHBondContact O-NE2 3.01Å; F1004-K1033 HydrophobicContact CD1-CD 4.26Å; F1004-K1033 HydrophobicContact CE1-CB 4.32Å; F1004-K1033 HydrophobicContact CE1-CD 3.52Å; F1004-K1033 HydrophobicContact CE1-CG 3.8Å; F1004-K1033 HydrophobicContact CZ-CB 4.04Å; F1004-K1033 HydrophobicContact CZ-CD 4.11Å; F1004-K1033 HydrophobicContact CZ-CG 3.93Å; F1004-I1110 HydrophobicContact CB-CD1 3.88Å; F1004-I1110 WeakPolarHBondContact O-CD1 3.31Å; F1004-I1110 VanDerWaalsContact O-CG1 3.31Å; F1004-I1110 WeakPolarHBondContact O-CG1 3.39Å | ||
| 1005 | L | 68.9 | Low | 77 | Confident | 101 Ų | 101 | 56.9 Ų | 56.9 | 53% | 0.529 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -97.1 | -8 | 178.3 | -63.4 | 175 | 0 | 0 | 0 | 112.9 | ||
| 1006 | Q | 66.7 | Low | 77.9 | Confident | 128 Ų | 128 | 52.7 Ų | 52.7 | 60% | 0.598 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -130.6 | 148.6 | 175.9 | -68.1 | -177.6 | -6.6 | 0 | 0 | 110.1 | T1008 I1110 | Q1006-T1008 PolarHBondContact O-N 3.01Å; Q1006-T1008 PolarHBondContact O-OG1 2.95Å; Q1006-I1110 WeakPolarHBondContact O-CD1 3.47Å |
| 1007 | P | 73.2 | Confident | 78.5 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | trans | -48.6 | 109.2 | 175 | -27.5 | 35 | 0 | 0 | 0 | 111.3 | L1016 F1086 Y1095 I1110 | P1007-L1016 HydrophobicContact CB-CD1 3.96Å; P1007-L1016 HydrophobicContact CB-CD2 3.79Å; P1007-L1016 HydrophobicContact CB-CG 4.24Å; P1007-F1086 HydrophobicContact CB-CD2 4.21Å; P1007-F1086 HydrophobicContact CB-CE1 4.29Å; P1007-F1086 HydrophobicContact CB-CE2 3.61Å; P1007-F1086 HydrophobicContact CB-CZ 3.66Å; P1007-F1086 HydrophobicContact CG-CD2 4.48Å; P1007-F1086 HydrophobicContact CG-CE2 3.71Å; P1007-F1086 HydrophobicContact CG-CZ 4.07Å; P1007-Y1095 HydrophobicContact CG-CD2 3.49Å; P1007-Y1095 VanDerWaalsContact CG-CD2 3.49Å; P1007-Y1095 HydrophobicContact CG-CE2 3.87Å; P1007-Y1095 HydrophobicContact CG-CG 4.08Å; P1007-I1110 HydrophobicContact CG-CG2 4.25Å | ||
| 1008 | T | 78.8 | Confident | 78.1 | Confident | 24 Ų | 24 | 50.5 Ų | 50.5 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.9 | -171.7 | -63.8 | 0 | 0 | 0 | 0 | 109.2 | F1004 Q1006 I1017 K1033 | F1004-T1008 HydrophobicContact CD1-CG2 4.18Å; F1004-T1008 HydrophobicContact CE1-CG2 4.38Å; F1004-T1008 HydrophobicContact CG-CG2 4.3Å; Q1006-T1008 PolarHBondContact O-N 3.01Å; Q1006-T1008 PolarHBondContact O-OG1 2.95Å; T1008-I1017 HydrophobicContact CG2-CD1 4.11Å; T1008-I1017 WeakPolarHBondContact O-CB 3.17Å; T1008-I1017 WeakPolarHBondContact O-CG1 3.31Å; T1008-I1017 PolarHBondContact O-N 2.89Å; T1008-K1033 HydrophobicContact CG2-CB 4.31Å; T1008-K1033 HydrophobicContact CG2-CD 3.85Å |
| 1009 | K | 80.9 | Confident | 77.2 | Confident | 74 Ų | 74 | 45.3 Ų | 45.3 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 140.9 | 176.5 | -64.2 | -176.1 | -176 | -177.2 | 0 | 111.3 | L1016 A1062 | K1009-L1016 HydrophobicContact CG-CD1 4.25Å; K1009-A1062 HydrophobicContact CD-CB 3.98Å |
| 1010 | C | 83.7 | Confident | 75.8 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | trans | -73 | 127.2 | 171 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | V1012 C1013 G1014 S1015 I1017 C1034 H1035 | C1010-V1012 PolarHBondContact O-N 3.24Å; C1010-V1012 PolarHBondContact SG-N 2.94Å; C1010-C1013 VanDerWaalsContact SG-SG 3.66Å; C1010-G1014 WeakPolarHBondContact O-CA 3.5Å; C1010-G1014 PolarHBondContact O-N 3.44Å; C1010-S1015 VanDerWaalsContact CB-O 3.29Å; C1010-S1015 WeakPolarHBondContact CB-O 3.02Å; C1010-S1015 PolarHBondContact N-O 3.34Å; C1010-I1017 HydrophobicContact CB-CD1 4.33Å; C1010-I1017 HydrophobicContact CB-CG1 3.94Å; C1010-C1034 VanDerWaalsContact SG-CA 3.56Å; C1010-C1034 VanDerWaalsContact SG-CB 3.59Å; C1010-H1035 VanDerWaalsContact CB-CE1 3.43Å; C1010-H1035 WeakPolarHBondContact CB-CE1 3.41Å; C1010-H1035 WeakPolarHBondContact CB-ND1 3.36Å; C1010-H1035 PolarHBondContact SG-N 3.36Å; C1010-H1035 VanDerWaalsContact SG-N 3.41Å; C1010-H1035 PolarHBondContact SG-ND1 3.35Å | ||
| 1011 | H | 79.8 | Confident | 75 | Confident | 124 Ų | 124 | 50.2 Ų | 50.2 | 57% | 0.574 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17 | 178.1 | -78.3 | 73.3 | 0 | 0 | 0 | 114 | L1032 K1033 | H1011-L1032 HydrophobicContact CB-CD1 4.34Å; H1011-L1032 HydrophobicContact CB-CD2 4.23Å; H1011-L1032 HydrophobicContact CB-CG 3.98Å; H1011-K1033 WeakPolarHBondContact CB-O 3.17Å; H1011-K1033 PolarHBondContact N-O 2.76Å; H1011-K1033 PolarHBondContact ND1-N 3.39Å; H1011-K1033 PolarHBondContact ND1-O 2.82Å |
| 1012 | V | 78.1 | Confident | 74.3 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 30% | 0.303 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -54.5 | -174.9 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | C1010 C1034 C1038 V1042 | C1010-V1012 PolarHBondContact O-N 3.24Å; C1010-V1012 PolarHBondContact SG-N 2.94Å; V1012-C1034 HydrophobicContact CG2-CB 3.86Å; V1012-C1038 HydrophobicContact CB-CB 3.79Å; V1012-C1038 HydrophobicContact CG1-CB 3.98Å; V1012-C1038 HydrophobicContact CG2-CB 4.06Å; V1012-V1042 HydrophobicContact CG2-CG2 3.5Å; V1012-V1042 VanDerWaalsContact CG2-CG2 3.5Å |
| 1013 | C | 79.1 | Confident | 74.2 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 27% | 0.27 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -7.9 | -177.8 | 73.3 | 0 | 0 | 0 | 0 | 113.7 | C1010 S1015 H1035 | C1010-C1013 VanDerWaalsContact SG-SG 3.66Å; C1013-S1015 PolarHBondContact O-N 2.86Å; C1013-S1015 VanDerWaalsContact SG-CB 3.6Å; C1013-S1015 PolarHBondContact SG-N 3.15Å; C1013-H1035 PolarHBondContact SG-CE1 3.46Å; C1013-H1035 PolarHBondContact SG-ND1 3.3Å; C1013-H1035 VanDerWaalsContact SG-ND1 3.35Å |
| 1014 | G | 75.4 | Confident | 74.7 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 13% | 0.134 | 25% | 0.248 | C | C | . | . | trans | 73.8 | -19.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | C1010 G1061 | C1010-G1014 WeakPolarHBondContact O-CA 3.5Å; C1010-G1014 PolarHBondContact O-N 3.44Å; G1014-G1061 CarbonylContact O-C 3.16Å | ||
| 1015 | S | 79.6 | Confident | 75.1 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -65.5 | 155.3 | 179.3 | -43.2 | 0 | 0 | 0 | 0 | 112.6 | C1010 C1013 S1088 D1089 | C1010-S1015 VanDerWaalsContact CB-O 3.29Å; C1010-S1015 WeakPolarHBondContact CB-O 3.02Å; C1010-S1015 PolarHBondContact N-O 3.34Å; C1013-S1015 PolarHBondContact O-N 2.86Å; C1013-S1015 VanDerWaalsContact SG-CB 3.6Å; C1013-S1015 PolarHBondContact SG-N 3.15Å; S1015-S1088 WeakPolarHBondContact CA-OG 3.29Å; S1015-D1089 WeakPolarHBondContact CB-OD1 3.36Å; S1015-D1089 WeakPolarHBondContact CB-OD2 3.07Å; S1015-D1089 PolarHBondContact OG-OD1 2.92Å; S1015-D1089 PolarHBondContact OG-OD2 2.78Å |
| 1016 | L | 80.4 | Confident | 75.9 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 138.3 | 178.3 | -146.5 | 76.1 | 0 | 0 | 0 | 111.3 | P1007 K1009 L1018 H1035 F1086 S1088 | P1007-L1016 HydrophobicContact CB-CD1 3.96Å; P1007-L1016 HydrophobicContact CB-CD2 3.79Å; P1007-L1016 HydrophobicContact CB-CG 4.24Å; K1009-L1016 HydrophobicContact CG-CD1 4.25Å; L1016-L1018 HydrophobicContact CB-CD1 4.38Å; L1016-L1018 HydrophobicContact CB-CD2 4.4Å; L1016-L1018 HydrophobicContact CB-CG 4.08Å; L1016-L1018 HydrophobicContact CD2-CD1 4.5Å; L1016-L1018 HydrophobicContact CD2-CD2 3.43Å; L1016-L1018 VanDerWaalsContact CD2-CD2 3.43Å; L1016-L1018 HydrophobicContact CD2-CG 4.05Å; L1016-L1018 HydrophobicContact CG-CD2 4.17Å; L1016-L1018 HydrophobicContact CG-CG 4.36Å; L1016-L1018 PolarHBondContact O-N 3.02Å; L1016-H1035 PolarHBondContact O-NE2 3.03Å; L1016-F1086 HydrophobicContact CD1-CD1 4.2Å; L1016-F1086 HydrophobicContact CD1-CG 4.39Å; L1016-S1088 PolarHBondContact N-OG 2.93Å |
| 1017 | I | 80.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 101.1 | 174.2 | -52.6 | 178.5 | 0 | 0 | 0 | 107.4 | F1004 T1008 C1010 Q1023 | F1004-I1017 HydrophobicContact CD2-CG2 4.09Å; F1004-I1017 HydrophobicContact CE2-CD1 4Å; F1004-I1017 HydrophobicContact CE2-CG2 4.12Å; T1008-I1017 HydrophobicContact CG2-CD1 4.11Å; T1008-I1017 WeakPolarHBondContact O-CB 3.17Å; T1008-I1017 WeakPolarHBondContact O-CG1 3.31Å; T1008-I1017 PolarHBondContact O-N 2.89Å; C1010-I1017 HydrophobicContact CB-CD1 4.33Å; C1010-I1017 HydrophobicContact CB-CG1 3.94Å; I1017-Q1023 HydrophobicContact CG2-CB 3.5Å; I1017-Q1023 WeakPolarHBondContact CG2-O 3.22Å |
| 1018 | L | 71.1 | Confident | 76.9 | Confident | 68 Ų | 68 | 43.7 Ų | 43.7 | 36% | 0.356 | 22% | 0.217 | S | C | . | . | trans | -112.2 | 147.7 | -172.3 | -67.2 | 172.7 | 0 | 0 | 0 | 111.8 | L1016 F1093 I1114 | L1016-L1018 HydrophobicContact CB-CD1 4.38Å; L1016-L1018 HydrophobicContact CB-CD2 4.4Å; L1016-L1018 HydrophobicContact CB-CG 4.08Å; L1016-L1018 HydrophobicContact CD2-CD1 4.5Å; L1016-L1018 HydrophobicContact CD2-CD2 3.43Å; L1016-L1018 VanDerWaalsContact CD2-CD2 3.43Å; L1016-L1018 HydrophobicContact CD2-CG 4.05Å; L1016-L1018 HydrophobicContact CG-CD2 4.17Å; L1016-L1018 HydrophobicContact CG-CG 4.36Å; L1016-L1018 PolarHBondContact O-N 3.02Å; L1018-F1093 HydrophobicContact CD1-CD1 4.34Å; L1018-F1093 HydrophobicContact CD1-CE1 3.55Å; L1018-F1093 HydrophobicContact CD1-CZ 3.84Å; L1018-I1114 HydrophobicContact CD2-CD1 3.44Å; L1018-I1114 VanDerWaalsContact CD2-CD1 3.44Å | ||
| 1019 | G | 63 | Low | 76.8 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 22% | 0.216 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 144.9 | 169.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1023 | G1019-Q1023 WeakPolarHBondContact O-CG 3.16Å; G1019-Q1023 PolarHBondContact O-NE2 2.85Å |
| 1020 | Q | 56.6 | Low | 76.8 | Confident | 84 Ų | 84 | 44.6 Ų | 44.6 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -77.9 | -50.1 | -179.6 | -63.7 | -172.9 | 7.5 | 0 | 0 | 112.2 | Q1023 F1109 E1111 | Q1020-Q1023 PolarHBondContact O-NE2 3.42Å; Q1020-F1109 HydrophobicContact CB-CB 4.27Å; Q1020-F1109 HydrophobicContact CB-CD2 4.29Å; Q1020-F1109 HydrophobicContact CB-CG 4.1Å; Q1020-F1109 WeakPolarHBondContact O-CD1 3.06Å; Q1020-F1109 WeakPolarHBondContact O-CG 3.44Å; Q1020-E1111 HydrophobicContact CG-CB 4.5Å; Q1020-E1111 VanDerWaalsContact CG-OE2 3.26Å; Q1020-E1111 WeakPolarHBondContact CG-OE2 3.31Å |
| 1021 | K | 64.3 | Low | 76.7 | Confident | 105 Ų | 105 | 49.5 Ų | 49.5 | 46% | 0.457 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -133.2 | 148.4 | -179 | -87.6 | -174.1 | 179.5 | 178.1 | 0 | 110.8 | E724 T1003 Q1023 F1109 | E724-K1021 IonicContact OE1-NZ 3.32Å; T1003-K1021 HydrophobicContact CG2-CG 4.42Å; K1021-Q1023 PolarHBondContact O-N 3.39Å; K1021-F1109 HydrophobicContact CD-CE1 4Å; K1021-F1109 HydrophobicContact CD-CZ 4.2Å; K1021-F1109 VanDerWaalsContact CE-CZ 3.49Å; K1021-F1109 HydrophobicContact CG-CD1 4.02Å; K1021-F1109 HydrophobicContact CG-CE1 3.37Å; K1021-F1109 HydrophobicContact CG-CZ 3.99Å |
| 1022 | W | 69.2 | Low | 77 | Confident | 138 Ų | 138 | 45.3 Ų | 45.3 | 52% | 0.523 | 23% | 0.232 | S | C | . | . | trans | 56.5 | 38.5 | 169.9 | -57.2 | 36.3 | 0 | 0 | 0 | 112.7 | F1001 T1003 G1024 | F1001-W1022 HydrophobicContact CB-CB 4.29Å; F1001-W1022 HydrophobicContact CB-CD2 3.89Å; F1001-W1022 HydrophobicContact CB-CE3 3.31Å; F1001-W1022 HydrophobicContact CB-CG 4.31Å; F1001-W1022 HydrophobicContact CB-CZ3 3.91Å; F1001-W1022 HydrophobicContact CD1-CB 4.34Å; F1001-W1022 HydrophobicContact CD1-CE3 4.15Å; F1001-W1022 AromaticContact CD2-CE3 3.97Å; F1001-W1022 HydrophobicContact CD2-CE3 3.97Å; F1001-W1022 HydrophobicContact CD2-CZ3 4.1Å; F1001-W1022 HydrophobicContact CG-CD2 4.48Å; F1001-W1022 AromaticContact CG-CE3 3.57Å; F1001-W1022 HydrophobicContact CG-CE3 3.57Å; F1001-W1022 HydrophobicContact CG-CZ3 4.14Å; T1003-W1022 PolarHBondContact OG1-N 2.66Å; W1022-G1024 PolarHBondContact O-N 3.1Å | ||
| 1023 | Q | 75.7 | Confident | 77.5 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | trans | -64.2 | -21.8 | -168.2 | -50.8 | 89.7 | -14.4 | 0 | 0 | 112.5 | T1003 F1004 I1017 G1019 Q1020 K1021 | T1003-Q1023 VanDerWaalsContact CA-OE1 3.24Å; F1004-Q1023 PolarHBondContact O-NE2 3.01Å; I1017-Q1023 HydrophobicContact CG2-CB 3.5Å; I1017-Q1023 WeakPolarHBondContact CG2-O 3.22Å; G1019-Q1023 WeakPolarHBondContact O-CG 3.16Å; G1019-Q1023 PolarHBondContact O-NE2 2.85Å; Q1020-Q1023 PolarHBondContact O-NE2 3.42Å; K1021-Q1023 PolarHBondContact O-N 3.39Å | ||
| 1024 | G | 85.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | -171 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1002 W1022 C1034 | V1002-G1024 PolarHBondContact N-O 3.46Å; V1002-G1024 VanDerWaalsContact N-O 3.08Å; W1022-G1024 PolarHBondContact O-N 3.1Å; G1024-C1034 WeakPolarHBondContact CA-O 3.48Å |
| 1025 | V | 86.3 | Confident | 78.4 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 145.1 | 179 | -64.9 | 0 | 0 | 0 | 0 | 110.4 | F999 T1000 F1001 K1033 C1034 H1036 R1039 | F999-V1025 HydrophobicContact CB-CB 4.03Å; F999-V1025 HydrophobicContact CB-CG2 4.26Å; F999-V1025 HydrophobicContact CD1-CB 3.87Å; F999-V1025 HydrophobicContact CD1-CG2 3.54Å; F999-V1025 HydrophobicContact CE1-CG2 4.1Å; F999-V1025 HydrophobicContact CG-CB 4.26Å; F999-V1025 HydrophobicContact CG-CG2 4Å; T1000-V1025 CarbonylContact O-C 3.59Å; T1000-V1025 WeakPolarHBondContact O-CA 3.39Å; F1001-V1025 HydrophobicContact CD1-CG1 3.81Å; F1001-V1025 HydrophobicContact CE1-CG1 3.92Å; F1001-V1025 HydrophobicContact CG-CG1 4.24Å; F1001-V1025 HydrophobicContact CZ-CG1 4.43Å; V1025-K1033 WeakPolarHBondContact O-CA 3.46Å; V1025-C1034 PolarHBondContact N-O 3.23Å; V1025-C1034 PolarHBondContact O-N 3.5Å; V1025-H1036 HydrophobicContact CG1-CB 4.45Å; V1025-R1039 HydrophobicContact CG2-CB 4.29Å |
| 1026 | Q | 86.1 | Confident | 78.4 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.5 | 175.6 | -174 | 165.5 | -11.6 | 0 | 0 | 109.2 | F999 T1000 V1002 Q1028 L1032 K1033 | F999-Q1026 WeakPolarHBondContact CA-O 3.35Å; T1000-Q1026 PolarHBondContact N-O 3.22Å; T1000-Q1026 PolarHBondContact O-N 3.11Å; T1000-Q1026 PolarHBondContact OG1-O 3.22Å; V1002-Q1026 HydrophobicContact CB-CB 4.34Å; V1002-Q1026 HydrophobicContact CG2-CB 3.66Å; Q1026-Q1028 PolarHBondContact O-N 3.37Å; Q1026-L1032 CarbonylContact C-O 3.5Å; Q1026-L1032 WeakPolarHBondContact CA-O 3.41Å; Q1026-K1033 HydrophobicContact CB-CG 4.25Å; Q1026-K1033 VanDerWaalsContact CD-CE 3.49Å; Q1026-K1033 HydrophobicContact CG-CG 3.89Å |
| 1027 | C | 84.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 124.1 | 172.5 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | H997 K998 F999 D1029 C1030 Q1031 L1032 | H997-C1027 PolarHBondContact ND1-SG 3.28Å; K998-C1027 CarbonylContact O-C 3.59Å; K998-C1027 VanDerWaalsContact O-CA 3.31Å; K998-C1027 WeakPolarHBondContact O-CA 3.31Å; F999-C1027 HydrophobicContact CD1-CB 4.07Å; F999-C1027 HydrophobicContact CE1-CB 3.8Å; F999-C1027 HydrophobicContact CZ-CB 4.28Å; C1027-D1029 PolarHBondContact O-N 3.04Å; C1027-C1030 VanDerWaalsContact CB-SG 3.57Å; C1027-Q1031 WeakPolarHBondContact O-CA 3.39Å; C1027-Q1031 PolarHBondContact O-N 2.94Å; C1027-L1032 HydrophobicContact CB-CB 4.37Å; C1027-L1032 PolarHBondContact N-O 2.99Å |
| 1028 | Q | 77.9 | Confident | 78.5 | Confident | 106 Ų | 106 | 59 Ų | 59 | 50% | 0.495 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -30.1 | 178.1 | -68 | -173.3 | -29.8 | 0 | 0 | 112.3 | K998 T1000 Q1026 Q1031 | K998-Q1028 PolarHBondContact O-N 3.35Å; T1000-Q1028 HydrophobicContact CG2-CG 3.98Å; Q1026-Q1028 PolarHBondContact O-N 3.37Å; Q1028-Q1031 PolarHBondContact O-NE2 2.9Å |
| 1029 | D | 75.8 | Confident | 78.9 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -45.1 | -171.3 | -52.2 | -54.9 | 0 | 0 | 0 | 113 | C1027 A1048 | C1027-D1029 PolarHBondContact O-N 3.04Å; D1029-A1048 HydrophobicContact CB-CB 4.31Å |
| 1030 | C | 80.5 | Confident | 79.5 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 27% | 0.27 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 0.1 | -179.9 | 71.3 | 0 | 0 | 0 | 0 | 114.6 | H997 C1027 L1032 A1048 | H997-C1030 PolarHBondContact CE1-SG 3.41Å; H997-C1030 PolarHBondContact ND1-SG 2.82Å; H997-C1030 VanDerWaalsContact ND1-SG 3.36Å; C1027-C1030 VanDerWaalsContact CB-SG 3.57Å; C1030-L1032 PolarHBondContact O-N 3.35Å; C1030-L1032 WeakPolarHBondContact SG-CB 3.33Å; C1030-A1048 HydrophobicContact CB-CB 4.12Å |
| 1031 | Q | 82.6 | Confident | 80.5 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | trans | 59.4 | 15.6 | -178.9 | -51.7 | -63.6 | -12.5 | 0 | 0 | 115.3 | C1027 Q1028 K1033 | C1027-Q1031 WeakPolarHBondContact O-CA 3.39Å; C1027-Q1031 PolarHBondContact O-N 2.94Å; Q1028-Q1031 PolarHBondContact O-NE2 2.9Å; Q1031-K1033 WeakPolarHBondContact O-CG 3.45Å; Q1031-K1033 PolarHBondContact O-N 2.78Å | ||
| 1032 | L | 86.3 | Confident | 81.1 | Confident | 35 Ų | 35 | 65.2 Ų | 65.2 | 18% | 0.183 | 31% | 0.305 | C | S | . | . | trans | -62.1 | 128.4 | 173.7 | -176.8 | 150.9 | 0 | 0 | 0 | 110.4 | F999 H1011 Q1026 C1027 C1030 C1034 V1042 | F999-L1032 HydrophobicContact CE1-CD2 4.03Å; F999-L1032 HydrophobicContact CZ-CD2 4.08Å; H1011-L1032 HydrophobicContact CB-CD1 4.34Å; H1011-L1032 HydrophobicContact CB-CD2 4.23Å; H1011-L1032 HydrophobicContact CB-CG 3.98Å; Q1026-L1032 CarbonylContact C-O 3.5Å; Q1026-L1032 WeakPolarHBondContact CA-O 3.41Å; C1027-L1032 HydrophobicContact CB-CB 4.37Å; C1027-L1032 PolarHBondContact N-O 2.99Å; C1030-L1032 PolarHBondContact O-N 3.35Å; C1030-L1032 WeakPolarHBondContact SG-CB 3.33Å; L1032-C1034 HydrophobicContact CD2-CB 4.19Å; L1032-V1042 HydrophobicContact CD1-CG1 4.15Å; L1032-V1042 HydrophobicContact CD2-CG1 4.22Å; L1032-V1042 HydrophobicContact CD2-CG2 3.96Å | ||
| 1033 | K | 86.9 | Confident | 81.1 | Confident | 62 Ų | 62 | 66.1 Ų | 66.1 | 27% | 0.27 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.5 | -176.5 | -62 | 169.2 | -177.8 | -177.4 | 0 | 110.8 | F1004 T1008 H1011 V1025 Q1026 Q1031 | F1004-K1033 HydrophobicContact CD1-CD 4.26Å; F1004-K1033 HydrophobicContact CE1-CB 4.32Å; F1004-K1033 HydrophobicContact CE1-CD 3.52Å; F1004-K1033 HydrophobicContact CE1-CG 3.8Å; F1004-K1033 HydrophobicContact CZ-CB 4.04Å; F1004-K1033 HydrophobicContact CZ-CD 4.11Å; F1004-K1033 HydrophobicContact CZ-CG 3.93Å; T1008-K1033 HydrophobicContact CG2-CB 4.31Å; T1008-K1033 HydrophobicContact CG2-CD 3.85Å; H1011-K1033 WeakPolarHBondContact CB-O 3.17Å; H1011-K1033 PolarHBondContact N-O 2.76Å; H1011-K1033 PolarHBondContact ND1-N 3.39Å; H1011-K1033 PolarHBondContact ND1-O 2.82Å; V1025-K1033 WeakPolarHBondContact O-CA 3.46Å; Q1026-K1033 HydrophobicContact CB-CG 4.25Å; Q1026-K1033 VanDerWaalsContact CD-CE 3.49Å; Q1026-K1033 HydrophobicContact CG-CG 3.89Å; Q1031-K1033 WeakPolarHBondContact O-CG 3.45Å; Q1031-K1033 PolarHBondContact O-N 2.78Å |
| 1034 | C | 86.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 165.1 | 177.9 | 66.1 | 0 | 0 | 0 | 0 | 112 | C1010 V1012 G1024 V1025 L1032 C1038 | C1010-C1034 VanDerWaalsContact SG-CA 3.56Å; C1010-C1034 VanDerWaalsContact SG-CB 3.59Å; V1012-C1034 HydrophobicContact CG2-CB 3.86Å; G1024-C1034 WeakPolarHBondContact CA-O 3.48Å; V1025-C1034 PolarHBondContact N-O 3.23Å; V1025-C1034 PolarHBondContact O-N 3.5Å; L1032-C1034 HydrophobicContact CD2-CB 4.19Å; C1034-C1038 HydrophobicContact CB-CB 4.1Å |
| 1035 | H | 86.7 | Confident | 80.3 | Confident | 30 Ų | 30 | 74.7 Ų | 74.7 | 14% | 0.139 | 36% | 0.363 | C | S | . | . | trans | -61.1 | 150.9 | 170.2 | -57.4 | 103.5 | 0 | 0 | 0 | 110.3 | C1010 C1013 L1016 R1037 C1038 R1039 | C1010-H1035 VanDerWaalsContact CB-CE1 3.43Å; C1010-H1035 WeakPolarHBondContact CB-CE1 3.41Å; C1010-H1035 WeakPolarHBondContact CB-ND1 3.36Å; C1010-H1035 PolarHBondContact SG-N 3.36Å; C1010-H1035 VanDerWaalsContact SG-N 3.41Å; C1010-H1035 PolarHBondContact SG-ND1 3.35Å; C1013-H1035 PolarHBondContact SG-CE1 3.46Å; C1013-H1035 PolarHBondContact SG-ND1 3.3Å; C1013-H1035 VanDerWaalsContact SG-ND1 3.35Å; L1016-H1035 PolarHBondContact O-NE2 3.03Å; H1035-R1037 HydrophobicContact CB-CG 3.96Å; H1035-R1037 PolarHBondContact O-N 3.35Å; H1035-C1038 HydrophobicContact CB-CB 4.13Å; H1035-C1038 WeakPolarHBondContact O-CA 3.47Å; H1035-C1038 WeakPolarHBondContact O-CB 3.43Å; H1035-C1038 PolarHBondContact O-N 2.88Å; H1035-R1039 PolarHBondContact O-N 2.85Å | ||
| 1036 | H | 81.2 | Confident | 79.5 | Confident | 91 Ų | 91 | 75.1 Ų | 75.1 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -52.9 | -43.8 | 175 | 179.9 | 73.6 | 0 | 0 | 0 | 112.4 | F1001 V1025 C1038 R1039 | F1001-H1036 HydrophobicContact CE1-CB 4.08Å; F1001-H1036 AromaticContact CE1-CG 3.86Å; F1001-H1036 AromaticContact CE1-ND1 3.43Å; F1001-H1036 WeakPolarHBondContact CE1-ND1 3.37Å; F1001-H1036 AromaticContact CZ-CE1 3.54Å; F1001-H1036 AromaticContact CZ-ND1 3.23Å; F1001-H1036 WeakPolarHBondContact CZ-ND1 3.48Å; V1025-H1036 HydrophobicContact CG1-CB 4.45Å; H1036-C1038 VanDerWaalsContact C-N 3.29Å; H1036-C1038 PolarHBondContact O-N 2.79Å; H1036-R1039 WeakPolarHBondContact O-CB 3.42Å; H1036-R1039 PolarHBondContact O-N 2.76Å |
| 1037 | R | 80.6 | Confident | 78.4 | Confident | 212 Ų | 212 | 78.1 Ų | 78.1 | 80% | 0.8 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -62.5 | -31.9 | 175.2 | 70.5 | 179.4 | 78.4 | -172.3 | 4.2 | 113.7 | H1035 R1039 | H1035-R1037 HydrophobicContact CB-CG 3.96Å; H1035-R1037 PolarHBondContact O-N 3.35Å; R1037-R1039 VanDerWaalsContact C-N 3.29Å; R1037-R1039 PolarHBondContact O-N 3.08Å |
| 1038 | C | 82.4 | Confident | 77.2 | Confident | 14 Ų | 14 | 80.4 Ų | 80.4 | 10% | 0.095 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -79.4 | -13.1 | -178.8 | -69.7 | 0 | 0 | 0 | 0 | 112.7 | V1012 C1034 H1035 H1036 M1040 S1041 V1042 | V1012-C1038 HydrophobicContact CB-CB 3.79Å; V1012-C1038 HydrophobicContact CG1-CB 3.98Å; V1012-C1038 HydrophobicContact CG2-CB 4.06Å; C1034-C1038 HydrophobicContact CB-CB 4.1Å; H1035-C1038 HydrophobicContact CB-CB 4.13Å; H1035-C1038 WeakPolarHBondContact O-CA 3.47Å; H1035-C1038 WeakPolarHBondContact O-CB 3.43Å; H1035-C1038 PolarHBondContact O-N 2.88Å; H1036-C1038 VanDerWaalsContact C-N 3.29Å; H1036-C1038 PolarHBondContact O-N 2.79Å; C1038-M1040 PolarHBondContact O-N 2.93Å; C1038-S1041 WeakPolarHBondContact O-CB 3.29Å; C1038-S1041 PolarHBondContact O-N 2.9Å; C1038-V1042 PolarHBondContact O-N 2.8Å |
| 1039 | R | 79.3 | Confident | 75.5 | Confident | 121 Ų | 121 | 82.2 Ų | 82.2 | 46% | 0.457 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -52.1 | -41.1 | 176.6 | 179 | -176 | 168.7 | -170.8 | -1.1 | 112.2 | F999 V1025 H1035 H1036 R1037 S1041 V1042 | F999-R1039 HydrophobicContact CD2-CG 3.67Å; F999-R1039 HydrophobicContact CE2-CG 3.88Å; F999-R1039 HydrophobicContact CG-CG 4.26Å; V1025-R1039 HydrophobicContact CG2-CB 4.29Å; H1035-R1039 PolarHBondContact O-N 2.85Å; H1036-R1039 WeakPolarHBondContact O-CB 3.42Å; H1036-R1039 PolarHBondContact O-N 2.76Å; R1037-R1039 VanDerWaalsContact C-N 3.29Å; R1037-R1039 PolarHBondContact O-N 3.08Å; R1039-S1041 PolarHBondContact O-N 2.69Å; R1039-V1042 PolarHBondContact O-N 3.44Å |
| 1040 | M | 75.3 | Confident | 73.9 | Confident | 182 Ų | 182 | 85.4 Ų | 85.4 | 90% | 0.897 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -67.2 | -18.8 | -179.9 | -66.5 | -174.2 | 69.5 | 0 | 0 | 113.3 | C1038 | C1038-M1040 PolarHBondContact O-N 2.93Š|
| 1041 | S | 77 | Confident | 71.9 | Confident | 88 Ų | 88 | 88.4 Ų | 88.4 | 62% | 0.615 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -98 | -3.3 | 179.3 | -53.1 | 0 | 0 | 0 | 0 | 113 | C1038 R1039 | C1038-S1041 WeakPolarHBondContact O-CB 3.29Å; C1038-S1041 PolarHBondContact O-N 2.9Å; R1039-S1041 PolarHBondContact O-N 2.69Å |
| 1042 | V | 77.2 | Confident | 69.8 | Low | 18 Ų | 18 | 90.8 Ų | 90.8 | 11% | 0.109 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -73.6 | 139 | 172.8 | -177.4 | 0 | 0 | 0 | 0 | 109 | F999 V1012 L1032 C1038 R1039 I1044 | F999-V1042 HydrophobicContact CZ-CB 4.33Å; F999-V1042 HydrophobicContact CZ-CG1 4.17Å; F999-V1042 HydrophobicContact CZ-CG2 4.05Å; V1012-V1042 HydrophobicContact CG2-CG2 3.5Å; V1012-V1042 VanDerWaalsContact CG2-CG2 3.5Å; L1032-V1042 HydrophobicContact CD1-CG1 4.15Å; L1032-V1042 HydrophobicContact CD2-CG1 4.22Å; L1032-V1042 HydrophobicContact CD2-CG2 3.96Å; C1038-V1042 PolarHBondContact O-N 2.8Å; R1039-V1042 PolarHBondContact O-N 3.44Å; V1042-I1044 PolarHBondContact O-N 3.4Å |
| 1043 | H | 70.6 | Confident | 67 | Low | 158 Ų | 158 | 94.7 Ų | 94.7 | 73% | 0.731 | 50% | 0.5 | S | S | * | . | trans | -55.4 | 132.4 | 175.9 | -132.5 | -90.2 | 0 | 0 | 0 | 110.5 | H997 V1045 | H997-H1043 PolarHBondContact CD2-O 3.31Å; H997-H1043 PolarHBondContact NE2-O 3.21Å; H1043-V1045 PolarHBondContact O-N 3.26Å; H1043-V1045 VanDerWaalsContact O-N 3.14Å | ||
| 1044 | I | 71.4 | Confident | 64.6 | Low | 132 Ų | 132 | 98.7 Ų | 98.7 | 68% | 0.677 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -62.3 | -27.1 | -170.6 | -72.4 | 167.5 | 0 | 0 | 0 | 112.8 | T996 V1042 | T996-I1044 WeakPolarHBondContact CA-O 3.23Å; T996-I1044 HydrophobicContact CG2-CG2 4.05Å; V1042-I1044 PolarHBondContact O-N 3.4Å |
| 1045 | V | 71.5 | Confident | 61.9 | Low | 65 Ų | 65 | 106.6 Ų | 106.6 | 39% | 0.394 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -91.7 | 117.6 | -176.7 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | T994 H1043 T1047 | T994-V1045 HydrophobicContact CG2-CG1 4.46Å; T994-V1045 HydrophobicContact CG2-CG2 4.25Å; H1043-V1045 PolarHBondContact O-N 3.26Å; H1043-V1045 VanDerWaalsContact O-N 3.14Å; V1045-T1047 PolarHBondContact O-N 3.33Å |
| 1046 | C | 69.3 | Low | 59.5 | Low | 11 Ų | 11 | 107.7 Ų | 107.7 | 7% | 0.074 | 59% | 0.585 | C | S | . | * | trans | -79.3 | 114.4 | 176 | -169.6 | 0 | 0 | 0 | 0 | 110.9 | L995 H997 A1048 | L995-C1046 WeakPolarHBondContact O-CB 3.48Å; L995-C1046 PolarHBondContact O-N 3.37Å; H997-C1046 WeakPolarHBondContact NE2-CA 3.43Å; C1046-A1048 PolarHBondContact O-N 3.41Å | ||
| 1047 | T | 63.8 | Low | 57 | Low | 92 Ų | 92 | 108.7 Ų | 108.7 | 56% | 0.564 | 60% | 0.602 | S | S | * | * | trans | -84.2 | 21.3 | -176.6 | 47.4 | 0 | 0 | 0 | 0 | 114.7 | V1045 L1049 N1050 | V1045-T1047 PolarHBondContact O-N 3.33Å; T1047-L1049 PolarHBondContact O-N 3.12Å; T1047-N1050 PolarHBondContact O-N 2.94Å | ||
| 1048 | A | 57.5 | Low | 54.7 | Low | 48 Ų | 48 | 104.4 Ų | 104.4 | 40% | 0.397 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.9 | -18.6 | -171 | 0 | 0 | 0 | 0 | 0 | 115.9 | D1029 C1030 C1046 | D1029-A1048 HydrophobicContact CB-CB 4.31Å; C1030-A1048 HydrophobicContact CB-CB 4.12Å; C1046-A1048 PolarHBondContact O-N 3.41Å |
| 1049 | L | 43.7 | Very low | 52.4 | Low | 145 Ų | 145 | 105.8 Ų | 105.8 | 76% | 0.759 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -10.9 | 178.3 | -83.8 | 153.5 | 0 | 0 | 0 | 115.4 | L995 T1047 | L995-L1049 HydrophobicContact CD1-CD1 4.47Å; T1047-L1049 PolarHBondContact O-N 3.12Å |
| 1050 | N | 41.1 | Very low | 50.5 | Low | 145 Ų | 145 | 109.5 Ų | 109.5 | 78% | 0.775 | 64% | 0.639 | S | S | * | * | trans | -109.1 | 76.6 | 173.3 | -85.5 | -10.7 | 0 | 0 | 0 | 110.3 | T1047 N1052 | T1047-N1050 PolarHBondContact O-N 2.94Å; N1050-N1052 PolarHBondContact O-N 3.42Å | ||
| 1051 | S | 38.8 | Very low | 48.8 | Very low | 103 Ų | 103 | 101.1 Ų | 101.1 | 72% | 0.72 | 60% | 0.599 | S | S | * | * | trans | -62.2 | 99.2 | 163.6 | 52.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1052 | N | 38.1 | Very low | 47.3 | Very low | 155 Ų | 155 | 97.9 Ų | 97.9 | 83% | 0.829 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 125.9 | 74.4 | 167.1 | -65.4 | -14.2 | 0 | 0 | 0 | 111.8 | N1050 | N1050-N1052 PolarHBondContact O-N 3.42Š|
| 1053 | C | 28.6 | Very low | 46.1 | Very low | 116 Ų | 116 | 103.2 Ų | 103.2 | 78% | 0.784 | 61% | 0.606 | S | S | * | * | trans | 172.2 | 95.1 | 144.8 | -99.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1054 | I | 35.9 | Very low | 45.7 | Very low | 146 Ų | 146 | 101.4 Ų | 101.4 | 75% | 0.749 | 60% | 0.596 | S | S | * | * | trans | -126.3 | 82.3 | 153.8 | -57.8 | 179.5 | 0 | 0 | 0 | 105.7 | G1056 | I1054-G1056 PolarHBondContact O-N 3.36Š| ||
| 1055 | D | 30.6 | Very low | 45.8 | Very low | 166 Ų | 166 | 99.3 Ų | 99.3 | 89% | 0.888 | 58% | 0.583 | S | S | * | * | trans | -64.2 | 87.2 | 150.4 | -91.6 | -26.2 | 0 | 0 | 0 | 106.2 | S1057 | D1055-S1057 PolarHBondContact O-N 2.97Š| ||
| 1056 | G | 35.3 | Very low | 45.9 | Very low | 54 Ų | 54 | 97.9 Ų | 97.9 | 56% | 0.557 | 58% | 0.576 | S | S | * | * | trans | -71.4 | 115.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | I1054 P1058 | I1054-G1056 PolarHBondContact O-N 3.36Å; G1056-P1058 WeakPolarHBondContact O-CD 3.26Å | ||
| 1057 | S | 28.7 | Very low | 46.4 | Very low | 111 Ų | 111 | 101.7 Ų | 101.7 | 78% | 0.776 | 60% | 0.596 | S | S | * | * | trans | -54.2 | 122 | 160.2 | 34.8 | 0 | 0 | 0 | 0 | 108.2 | D1055 G1059 | D1055-S1057 PolarHBondContact O-N 2.97Å; S1057-G1059 PolarHBondContact O-N 2.92Å | ||
| 1058 | P | 33.5 | Very low | 47.2 | Very low | 122 Ų | 122 | 100.1 Ų | 100.1 | 79% | 0.792 | 59% | 0.586 | S | S | * | * | trans | -69 | 111.2 | -175.7 | 24.6 | -30.6 | 0 | 0 | 0 | 109.3 | G1056 | G1056-P1058 WeakPolarHBondContact O-CD 3.26Š| ||
| 1059 | G | 34.3 | Very low | 48.1 | Very low | 44 Ų | 44 | 104 Ų | 104 | 45% | 0.454 | 59% | 0.594 | S | S | . | * | trans | -61.3 | 132.9 | 163 | 0 | 0 | 0 | 0 | 0 | 109.6 | S1057 G1061 | S1057-G1059 PolarHBondContact O-N 2.92Å; G1059-G1061 VanDerWaalsContact C-N 3.35Å; G1059-G1061 PolarHBondContact O-N 2.81Å | ||
| 1060 | F | 39.2 | Very low | 49.7 | Very low | 198 Ų | 198 | 100.2 Ų | 100.2 | 87% | 0.868 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 89.1 | 173.7 | -76.7 | -90.3 | 0 | 0 | 0 | 109.8 | ||
| 1061 | G | 38.1 | Very low | 51.2 | Low | 7 Ų | 7 | 96 Ų | 96 | 7% | 0.072 | 55% | 0.554 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -157.1 | -13.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | G1014 G1059 S1088 | G1014-G1061 CarbonylContact O-C 3.16Å; G1059-G1061 VanDerWaalsContact C-N 3.35Å; G1059-G1061 PolarHBondContact O-N 2.81Å; G1061-S1088 WeakPolarHBondContact O-CA 3.31Å; G1061-S1088 WeakPolarHBondContact O-CB 3.43Å; G1061-S1088 PolarHBondContact O-OG 3.49Å |
| 1062 | A | 45.6 | Very low | 53 | Low | 19 Ų | 19 | 95.7 Ų | 95.7 | 16% | 0.157 | 54% | 0.539 | C | S | . | . | trans | -159.9 | 89.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K1009 F1064 L1087 | K1009-A1062 HydrophobicContact CD-CB 3.98Å; A1062-F1064 VanDerWaalsContact C-N 3.28Å; A1062-F1064 PolarHBondContact O-N 3.34Å; A1062-L1087 CarbonylContact C-O 3.59Å; A1062-L1087 WeakPolarHBondContact CA-O 3.36Å; A1062-L1087 WeakPolarHBondContact CB-O 3.41Å | ||
| 1063 | D | 53.7 | Low | 54.2 | Low | 131 Ų | 131 | 96.6 Ų | 96.6 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | trans | -73.5 | -13.7 | -170.1 | -68.8 | -23 | 0 | 0 | 0 | 114 | L1087 | D1063-L1087 PolarHBondContact N-O 2.78Š| ||
| 1064 | F | 61.5 | Low | 56 | Low | 119 Ų | 119 | 94.2 Ų | 94.2 | 52% | 0.522 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 133.4 | -174.6 | -161.7 | -102.3 | 0 | 0 | 0 | 114 | A1062 S1066 L1087 | A1062-F1064 VanDerWaalsContact C-N 3.28Å; A1062-F1064 PolarHBondContact O-N 3.34Å; F1064-S1066 WeakPolarHBondContact CE1-OG 3.28Å; F1064-L1087 HydrophobicContact CB-CB 3.99Å; F1064-L1087 HydrophobicContact CB-CD2 4.32Å; F1064-L1087 PolarHBondContact O-N 2.95Å |
| 1065 | E | 73.8 | Confident | 57.4 | Low | 88 Ų | 88 | 89 Ų | 89 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126.7 | 169.5 | -179.9 | 179.8 | 165.6 | 0 | 0 | 108.8 | R1084 V1085 F1086 | E1065-R1084 HydrophobicContact CG-CG 4.32Å; E1065-R1084 WeakPolarHBondContact OE1-CD 3.32Å; E1065-R1084 IonicContact OE1-CZ 3.8Å; E1065-R1084 IonicContact OE1-NE 3.66Å; E1065-R1084 IonicContact OE1-NH1 2.79Å; E1065-R1084 PolarHBondContact OE1-NH1 3.35Å; E1065-V1085 VanDerWaalsContact CA-O 3.31Å; E1065-V1085 WeakPolarHBondContact CA-O 3.42Å; E1065-F1086 HydrophobicContact CB-CD1 4.43Å; E1065-F1086 HydrophobicContact CG-CD1 4.05Å; E1065-F1086 HydrophobicContact CG-CE1 3.82Å |
| 1066 | S | 73.3 | Confident | 59.4 | Low | 36 Ų | 36 | 86.5 Ų | 86.5 | 25% | 0.252 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 158 | 175 | 84.6 | 0 | 0 | 0 | 0 | 113.2 | F1064 V1085 | F1064-S1066 WeakPolarHBondContact CE1-OG 3.28Å; S1066-V1085 PolarHBondContact N-O 2.89Å; S1066-V1085 VanDerWaalsContact N-O 3.12Å; S1066-V1085 PolarHBondContact O-N 3.27Å |
| 1067 | D | 79.9 | Confident | 60.7 | Low | 91 Ų | 91 | 94.2 Ų | 94.2 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.9 | 172.3 | -66.6 | -24 | 0 | 0 | 0 | 110.2 | Y1083 R1084 | D1067-Y1083 CarbonylContact C-O 3.56Å; D1067-Y1083 WeakPolarHBondContact CA-O 3.46Å; D1067-R1084 WeakPolarHBondContact OD1-CB 3.46Å; D1067-R1084 IonicContact OD1-CZ 3.08Å; D1067-R1084 IonicContact OD1-NE 3.5Å; D1067-R1084 PolarHBondContact OD1-NE 3.4Å; D1067-R1084 IonicContact OD1-NH2 3.41Å; D1067-R1084 PolarHBondContact OD1-NH2 2.86Å; D1067-R1084 IonicContact OD2-CZ 2.67Å; D1067-R1084 IonicContact OD2-NH2 3.92Å; D1067-R1084 PolarHBondContact OD2-NH2 3.25Å; D1067-R1084 VanDerWaalsContact OD2-NH2 3.08Å |
| 1068 | V | 79.6 | Confident | 62.8 | Low | 58 Ų | 58 | 97.7 Ų | 97.7 | 35% | 0.352 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 157.7 | 179 | -88.4 | 0 | 0 | 0 | 0 | 111.8 | K1082 Y1083 V1085 | V1068-K1082 CarbonylContact O-C 3.49Å; V1068-K1082 WeakPolarHBondContact O-CA 3.47Å; V1068-Y1083 PolarHBondContact N-O 3.01Å; V1068-Y1083 PolarHBondContact O-N 3.43Å; V1068-V1085 HydrophobicContact CG2-CB 4.22Å; V1068-V1085 HydrophobicContact CG2-CG2 3.26Å |
| 1069 | K | 77.3 | Confident | 64.7 | Low | 131 Ų | 131 | 93 Ų | 93 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.4 | 174.5 | -73.5 | 179.7 | -177.8 | 177.6 | 0 | 110.2 | W1080 M1081 K1082 | K1069-W1080 HydrophobicContact CB-CE3 4.07Å; K1069-M1081 CarbonylContact C-O 3.5Å; K1069-M1081 VanDerWaalsContact CA-O 3.28Å; K1069-M1081 WeakPolarHBondContact CA-O 3.49Å; K1069-K1082 HydrophobicContact CD-CG 4.48Å; K1069-K1082 HydrophobicContact CG-CG 3.78Å |
| 1070 | M | 77.2 | Confident | 66.7 | Low | 65 Ų | 65 | 98 Ų | 98 | 32% | 0.32 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 147.8 | 177.4 | -62.6 | 179.7 | 68.2 | 0 | 0 | 111.2 | W1080 M1081 Y1083 F1094 | M1070-W1080 CarbonylContact O-C 3.53Å; M1070-W1080 WeakPolarHBondContact O-CA 3.38Å; M1070-M1081 PolarHBondContact N-O 3.43Å; M1070-M1081 PolarHBondContact O-N 3.49Å; M1070-Y1083 HydrophobicContact CB-CD2 3.97Å; M1070-Y1083 HydrophobicContact CB-CE2 3.86Å; M1070-Y1083 HydrophobicContact CG-CD2 4.03Å; M1070-Y1083 HydrophobicContact CG-CE2 4.33Å; M1070-Y1083 HydrophobicContact SD-CD2 3.99Å; M1070-Y1083 HydrophobicContact SD-CE2 4.23Å; M1070-F1094 HydrophobicContact SD-CD1 3.93Å; M1070-F1094 HydrophobicContact SD-CE1 3.83Å |
| 1071 | P | 72.9 | Confident | 68.6 | Low | 57 Ų | 57 | 90.7 Ų | 90.7 | 37% | 0.37 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 146.2 | 176 | 26.1 | -31 | 0 | 0 | 0 | 111.7 | I1076 G1079 | P1071-I1076 HydrophobicContact CB-CB 4.5Å; P1071-I1076 HydrophobicContact CB-CG1 3.97Å; P1071-I1076 HydrophobicContact CG-CG1 4.31Å; P1071-G1079 WeakPolarHBondContact CA-O 3.41Å |
| 1072 | K | 75.5 | Confident | 70.5 | Confident | 96 Ų | 96 | 96.1 Ų | 96.1 | 42% | 0.417 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 154.1 | 177.4 | -66.4 | -171.8 | -179.8 | 179.7 | 0 | 112.1 | G1074 G1075 R1078 G1079 M1081 | K1072-G1074 PolarHBondContact O-N 2.91Å; K1072-G1075 PolarHBondContact O-N 2.96Å; K1072-R1078 HydrophobicContact CB-CB 4.3Å; K1072-G1079 PolarHBondContact N-O 3.35Å; K1072-M1081 HydrophobicContact CG-CB 4.4Å; K1072-M1081 HydrophobicContact CG-CE 4.26Å |
| 1073 | L | 62.9 | Low | 72.1 | Confident | 173 Ų | 173 | 96.8 Ų | 96.8 | 91% | 0.906 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 120.2 | 171 | -76.1 | 159 | 0 | 0 | 0 | 109.6 | ||
| 1074 | G | 67.6 | Low | 73.4 | Confident | 67 Ų | 67 | 94.5 Ų | 94.5 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.3 | 0.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1072 | K1072-G1074 PolarHBondContact O-N 2.91Š|
| 1075 | G | 64.6 | Low | 74.3 | Confident | 36 Ų | 36 | 89.2 Ų | 89.2 | 37% | 0.371 | 45% | 0.448 | S | S | . | . | trans | 98.5 | 171.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K1072 K1077 R1078 | K1072-G1075 PolarHBondContact O-N 2.96Å; G1075-K1077 PolarHBondContact O-N 3.35Å; G1075-R1078 PolarHBondContact O-N 2.93Å | ||
| 1076 | I | 72.3 | Confident | 74.4 | Confident | 114 Ų | 114 | 85.5 Ų | 85.5 | 59% | 0.585 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -56.7 | -30.3 | -171.2 | -57.3 | 170.2 | 0 | 0 | 0 | 112.7 | P1071 R1078 G1079 W1080 | P1071-I1076 HydrophobicContact CB-CB 4.5Å; P1071-I1076 HydrophobicContact CB-CG1 3.97Å; P1071-I1076 HydrophobicContact CG-CG1 4.31Å; I1076-R1078 PolarHBondContact O-N 3.41Å; I1076-G1079 PolarHBondContact O-N 2.87Å; I1076-G1079 VanDerWaalsContact O-N 3.08Å; I1076-W1080 HydrophobicContact CG2-CZ2 4Å |
| 1077 | K | 63.4 | Low | 74.4 | Confident | 215 Ų | 215 | 85.6 Ų | 85.6 | 94% | 0.935 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -63.2 | -24.9 | 179.5 | -71.1 | -172.6 | 178.1 | -179.6 | 0 | 113.8 | G1075 G1079 | G1075-K1077 PolarHBondContact O-N 3.35Å; K1077-G1079 VanDerWaalsContact C-N 3.27Å; K1077-G1079 PolarHBondContact O-N 3.37Å |
| 1078 | R | 71.9 | Confident | 74 | Confident | 184 Ų | 184 | 81.3 Ų | 81.3 | 69% | 0.694 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -82.9 | -1.7 | 176.7 | -73.8 | -165.7 | 169.6 | -175.3 | -2.7 | 113.7 | K1072 G1075 I1076 | K1072-R1078 HydrophobicContact CB-CB 4.3Å; G1075-R1078 PolarHBondContact O-N 2.93Å; I1076-R1078 PolarHBondContact O-N 3.41Å |
| 1079 | G | 73.2 | Confident | 73.5 | Confident | 25 Ų | 25 | 83.1 Ų | 83.1 | 26% | 0.258 | 41% | 0.413 | S | S | . | . | trans | 99.2 | -175.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1071 K1072 I1076 K1077 | P1071-G1079 WeakPolarHBondContact CA-O 3.41Å; K1072-G1079 PolarHBondContact N-O 3.35Å; I1076-G1079 PolarHBondContact O-N 2.87Å; I1076-G1079 VanDerWaalsContact O-N 3.08Å; K1077-G1079 VanDerWaalsContact C-N 3.27Å; K1077-G1079 PolarHBondContact O-N 3.37Å | ||
| 1080 | W | 78.1 | Confident | 73 | Confident | 148 Ų | 148 | 83.7 Ų | 83.7 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 144.3 | -173 | -62.3 | 80.1 | 0 | 0 | 0 | 111.2 | K1069 M1070 I1076 | K1069-W1080 HydrophobicContact CB-CE3 4.07Å; M1070-W1080 CarbonylContact O-C 3.53Å; M1070-W1080 WeakPolarHBondContact O-CA 3.38Å; I1076-W1080 HydrophobicContact CG2-CZ2 4Å |
| 1081 | M | 77.9 | Confident | 72.5 | Confident | 44 Ų | 44 | 86.1 Ų | 86.1 | 22% | 0.217 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 142.5 | 176.6 | -169.8 | 178.4 | -77.8 | 0 | 0 | 109 | K1069 M1070 K1072 Y1083 D1096 | K1069-M1081 CarbonylContact C-O 3.5Å; K1069-M1081 VanDerWaalsContact CA-O 3.28Å; K1069-M1081 WeakPolarHBondContact CA-O 3.49Å; M1070-M1081 PolarHBondContact N-O 3.43Å; M1070-M1081 PolarHBondContact O-N 3.49Å; K1072-M1081 HydrophobicContact CG-CB 4.4Å; K1072-M1081 HydrophobicContact CG-CE 4.26Å; M1081-Y1083 HydrophobicContact CB-CE2 3.87Å; M1081-Y1083 HydrophobicContact CG-CE2 3.88Å; M1081-Y1083 HydrophobicContact SD-CE1 4.24Å; M1081-Y1083 HydrophobicContact SD-CE2 3.93Å; M1081-Y1083 VanDerWaalsContact SD-CZ 3.51Å; M1081-Y1083 PolarHBondContact SD-OH 3.26Å; M1081-D1096 VanDerWaalsContact SD-OD2 3.39Å |
| 1082 | K | 77.7 | Confident | 72.7 | Confident | 121 Ų | 121 | 85 Ų | 85 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128.2 | -179.5 | -77.5 | -177.9 | 178.2 | -177.6 | 0 | 109.5 | V1068 K1069 L1097 | V1068-K1082 CarbonylContact O-C 3.49Å; V1068-K1082 WeakPolarHBondContact O-CA 3.47Å; K1069-K1082 HydrophobicContact CD-CG 4.48Å; K1069-K1082 HydrophobicContact CG-CG 3.78Å; K1082-L1097 HydrophobicContact CB-CB 4.27Å; K1082-L1097 HydrophobicContact CB-CD1 4.11Å; K1082-L1097 WeakPolarHBondContact O-CB 3.11Å; K1082-L1097 PolarHBondContact O-N 2.95Å |
| 1083 | Y | 80.5 | Confident | 72.8 | Confident | 33 Ų | 33 | 80.7 Ų | 80.7 | 13% | 0.129 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.5 | 174.5 | -66.3 | -88.9 | 0 | 0 | 0 | 109.9 | D1067 V1068 M1070 M1081 F1094 Y1095 D1096 T1115 | D1067-Y1083 CarbonylContact C-O 3.56Å; D1067-Y1083 WeakPolarHBondContact CA-O 3.46Å; V1068-Y1083 PolarHBondContact N-O 3.01Å; V1068-Y1083 PolarHBondContact O-N 3.43Å; M1070-Y1083 HydrophobicContact CB-CD2 3.97Å; M1070-Y1083 HydrophobicContact CB-CE2 3.86Å; M1070-Y1083 HydrophobicContact CG-CD2 4.03Å; M1070-Y1083 HydrophobicContact CG-CE2 4.33Å; M1070-Y1083 HydrophobicContact SD-CD2 3.99Å; M1070-Y1083 HydrophobicContact SD-CE2 4.23Å; M1081-Y1083 HydrophobicContact CB-CE2 3.87Å; M1081-Y1083 HydrophobicContact CG-CE2 3.88Å; M1081-Y1083 HydrophobicContact SD-CE1 4.24Å; M1081-Y1083 HydrophobicContact SD-CE2 3.93Å; M1081-Y1083 VanDerWaalsContact SD-CZ 3.51Å; M1081-Y1083 PolarHBondContact SD-OH 3.26Å; Y1083-F1094 HydrophobicContact CD1-CB 4.25Å; Y1083-Y1095 CarbonylContact C-O 3.59Å; Y1083-Y1095 WeakPolarHBondContact CA-O 3.41Å; Y1083-D1096 HydrophobicContact CD1-CB 3.98Å; Y1083-D1096 HydrophobicContact CE1-CB 3.73Å; Y1083-T1115 HydrophobicContact CE1-CG2 3.96Å; Y1083-T1115 WeakPolarHBondContact CE1-OG1 3.47Å |
| 1084 | R | 79.9 | Confident | 73.4 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.2 | 163.1 | 179.8 | 161.8 | -72.9 | -169.6 | 1.1 | 108.6 | E1065 D1067 F1086 Y1095 L1097 | E1065-R1084 HydrophobicContact CG-CG 4.32Å; E1065-R1084 WeakPolarHBondContact OE1-CD 3.32Å; E1065-R1084 IonicContact OE1-CZ 3.8Å; E1065-R1084 IonicContact OE1-NE 3.66Å; E1065-R1084 IonicContact OE1-NH1 2.79Å; E1065-R1084 PolarHBondContact OE1-NH1 3.35Å; D1067-R1084 WeakPolarHBondContact OD1-CB 3.46Å; D1067-R1084 IonicContact OD1-CZ 3.08Å; D1067-R1084 IonicContact OD1-NE 3.5Å; D1067-R1084 PolarHBondContact OD1-NE 3.4Å; D1067-R1084 IonicContact OD1-NH2 3.41Å; D1067-R1084 PolarHBondContact OD1-NH2 2.86Å; D1067-R1084 IonicContact OD2-CZ 2.67Å; D1067-R1084 IonicContact OD2-NH2 3.92Å; D1067-R1084 PolarHBondContact OD2-NH2 3.25Å; D1067-R1084 VanDerWaalsContact OD2-NH2 3.08Å; R1084-F1086 HydrophobicContact CB-CE2 4.45Å; R1084-F1086 HydrophobicContact CG-CE2 3.77Å; R1084-F1086 HydrophobicContact CG-CZ 3.78Å; R1084-Y1095 HydrophobicContact CB-CD1 4.4Å; R1084-Y1095 PolarHBondContact N-O 3.3Å; R1084-Y1095 WeakPolarHBondContact O-CB 3.33Å; R1084-Y1095 PolarHBondContact O-N 3.12Å; R1084-L1097 HydrophobicContact CB-CD1 4.24Å; R1084-L1097 HydrophobicContact CB-CD2 4.03Å; R1084-L1097 HydrophobicContact CB-CG 4.09Å |
| 1085 | V | 80 | Confident | 73.7 | Confident | 9 Ų | 9 | 71.4 Ų | 71.4 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.5 | -175.5 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | E1065 S1066 V1068 L1092 F1093 F1094 | E1065-V1085 VanDerWaalsContact CA-O 3.31Å; E1065-V1085 WeakPolarHBondContact CA-O 3.42Å; S1066-V1085 PolarHBondContact N-O 2.89Å; S1066-V1085 VanDerWaalsContact N-O 3.12Å; S1066-V1085 PolarHBondContact O-N 3.27Å; V1068-V1085 HydrophobicContact CG2-CB 4.22Å; V1068-V1085 HydrophobicContact CG2-CG2 3.26Å; V1085-L1092 HydrophobicContact CG1-CD2 3.43Å; V1085-L1092 VanDerWaalsContact CG1-CD2 3.43Å; V1085-L1092 HydrophobicContact CG1-CG 3.94Å; V1085-F1093 CarbonylContact C-O 3.57Å; V1085-F1093 VanDerWaalsContact CA-O 3.26Å; V1085-F1093 WeakPolarHBondContact CA-O 3.32Å; V1085-F1094 HydrophobicContact CG2-CD1 3.38Å; V1085-F1094 HydrophobicContact CG2-CE1 3.52Å; V1085-F1094 HydrophobicContact CG2-CG 4.06Å; V1085-F1094 HydrophobicContact CG2-CZ 4.31Å |
| 1086 | F | 77.5 | Confident | 74.1 | Confident | 10 Ų | 10 | 70 Ų | 70 | 4% | 0.044 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.9 | 172.3 | -56.9 | -91.6 | 0 | 0 | 0 | 109.7 | P1007 L1016 E1065 R1084 F1093 | P1007-F1086 HydrophobicContact CB-CD2 4.21Å; P1007-F1086 HydrophobicContact CB-CE1 4.29Å; P1007-F1086 HydrophobicContact CB-CE2 3.61Å; P1007-F1086 HydrophobicContact CB-CZ 3.66Å; P1007-F1086 HydrophobicContact CG-CD2 4.48Å; P1007-F1086 HydrophobicContact CG-CE2 3.71Å; P1007-F1086 HydrophobicContact CG-CZ 4.07Å; L1016-F1086 HydrophobicContact CD1-CD1 4.2Å; L1016-F1086 HydrophobicContact CD1-CG 4.39Å; E1065-F1086 HydrophobicContact CB-CD1 4.43Å; E1065-F1086 HydrophobicContact CG-CD1 4.05Å; E1065-F1086 HydrophobicContact CG-CE1 3.82Å; R1084-F1086 HydrophobicContact CB-CE2 4.45Å; R1084-F1086 HydrophobicContact CG-CE2 3.77Å; R1084-F1086 HydrophobicContact CG-CZ 3.78Å; F1086-F1093 HydrophobicContact CB-CB 4.27Å; F1086-F1093 PolarHBondContact N-O 3.05Å; F1086-F1093 PolarHBondContact O-N 2.89Å |
| 1087 | L | 73 | Confident | 73.9 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 19% | 0.194 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 112.3 | 165.7 | -175.8 | 72.1 | 0 | 0 | 0 | 108.3 | A1062 D1063 F1064 R1091 L1092 W1120 | A1062-L1087 CarbonylContact C-O 3.59Å; A1062-L1087 WeakPolarHBondContact CA-O 3.36Å; A1062-L1087 WeakPolarHBondContact CB-O 3.41Å; D1063-L1087 PolarHBondContact N-O 2.78Å; F1064-L1087 HydrophobicContact CB-CB 3.99Å; F1064-L1087 HydrophobicContact CB-CD2 4.32Å; F1064-L1087 PolarHBondContact O-N 2.95Å; L1087-R1091 WeakPolarHBondContact CA-O 3.48Å; L1087-L1092 HydrophobicContact CD1-CD1 3.77Å; L1087-L1092 HydrophobicContact CD1-CG 4.37Å; L1087-W1120 HydrophobicContact CD1-CE3 3.82Å; L1087-W1120 HydrophobicContact CD1-CZ3 3.98Å |
| 1088 | S | 70.2 | Confident | 73.9 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 141 | 179 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | S1015 L1016 G1061 K1090 R1091 | S1015-S1088 WeakPolarHBondContact CA-OG 3.29Å; L1016-S1088 PolarHBondContact N-OG 2.93Å; G1061-S1088 WeakPolarHBondContact O-CA 3.31Å; G1061-S1088 WeakPolarHBondContact O-CB 3.43Å; G1061-S1088 PolarHBondContact O-OG 3.49Å; S1088-K1090 VanDerWaalsContact C-N 3.26Å; S1088-K1090 PolarHBondContact O-N 2.94Å; S1088-K1090 VanDerWaalsContact O-N 3.14Å; S1088-R1091 PolarHBondContact N-O 2.78Å; S1088-R1091 WeakPolarHBondContact O-CA 3.28Å; S1088-R1091 WeakPolarHBondContact O-CB 3.32Å; S1088-R1091 PolarHBondContact O-N 2.76Å; S1088-R1091 VanDerWaalsContact O-O 3.09Å |
| 1089 | D | 69.1 | Low | 73.1 | Confident | 95 Ų | 95 | 55.6 Ų | 55.6 | 51% | 0.508 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 38.9 | -179.9 | -55.9 | -22.4 | 0 | 0 | 0 | 115 | S1015 R1091 | S1015-D1089 WeakPolarHBondContact CB-OD1 3.36Å; S1015-D1089 WeakPolarHBondContact CB-OD2 3.07Å; S1015-D1089 PolarHBondContact OG-OD1 2.92Å; S1015-D1089 PolarHBondContact OG-OD2 2.78Å; D1089-R1091 PolarHBondContact O-N 3.18Å |
| 1090 | K | 67.9 | Low | 71.9 | Confident | 144 Ų | 144 | 57.8 Ų | 57.8 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 28.7 | -173.8 | -53.2 | -178.8 | 178.6 | -177.3 | 0 | 113.8 | S1088 W1120 | S1088-K1090 VanDerWaalsContact C-N 3.26Å; S1088-K1090 PolarHBondContact O-N 2.94Å; S1088-K1090 VanDerWaalsContact O-N 3.14Å; K1090-W1120 HydrophobicContact CB-CB 4.14Å; K1090-W1120 WeakPolarHBondContact O-CB 3.49Å; K1090-W1120 PolarHBondContact O-N 2.86Å |
| 1091 | R | 67.1 | Low | 70.2 | Confident | 115 Ų | 115 | 55 Ų | 55 | 43% | 0.434 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138 | 175.1 | -63.9 | 176.5 | -178.5 | 177.4 | 0.7 | 110.4 | L1087 S1088 D1089 F1093 I1117 I1118 | L1087-R1091 WeakPolarHBondContact CA-O 3.48Å; S1088-R1091 PolarHBondContact N-O 2.78Å; S1088-R1091 WeakPolarHBondContact O-CA 3.28Å; S1088-R1091 WeakPolarHBondContact O-CB 3.32Å; S1088-R1091 PolarHBondContact O-N 2.76Å; S1088-R1091 VanDerWaalsContact O-O 3.09Å; D1089-R1091 PolarHBondContact O-N 3.18Å; R1091-F1093 HydrophobicContact CB-CD2 4.38Å; R1091-F1093 HydrophobicContact CB-CE2 3.68Å; R1091-F1093 HydrophobicContact CB-CZ 3.85Å; R1091-I1117 HydrophobicContact CB-CG2 4.2Å; R1091-I1117 HydrophobicContact CG-CG2 4.48Å; R1091-I1118 CarbonylContact C-O 3.59Å; R1091-I1118 VanDerWaalsContact CA-O 3.27Å; R1091-I1118 WeakPolarHBondContact CA-O 3.28Å |
| 1092 | L | 75.4 | Confident | 68.4 | Low | 34 Ų | 34 | 58.1 Ų | 58.1 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120.6 | 170.4 | -115.6 | 107.1 | 0 | 0 | 0 | 108.8 | V1085 L1087 F1094 I1117 I1118 W1120 | V1085-L1092 HydrophobicContact CG1-CD2 3.43Å; V1085-L1092 VanDerWaalsContact CG1-CD2 3.43Å; V1085-L1092 HydrophobicContact CG1-CG 3.94Å; L1087-L1092 HydrophobicContact CD1-CD1 3.77Å; L1087-L1092 HydrophobicContact CD1-CG 4.37Å; L1092-F1094 HydrophobicContact CB-CE2 4.04Å; L1092-F1094 HydrophobicContact CD2-CE1 4.33Å; L1092-F1094 HydrophobicContact CD2-CE2 3.6Å; L1092-F1094 HydrophobicContact CD2-CZ 3.44Å; L1092-F1094 VanDerWaalsContact CD2-CZ 3.44Å; L1092-F1094 HydrophobicContact CG-CE2 4.46Å; L1092-I1117 WeakPolarHBondContact O-CA 3.17Å; L1092-I1118 HydrophobicContact CB-CB 4.22Å; L1092-I1118 PolarHBondContact N-O 3.27Å; L1092-I1118 PolarHBondContact O-N 2.95Å; L1092-W1120 HydrophobicContact CD1-CE3 3.92Å; L1092-W1120 HydrophobicContact CD1-CZ3 3.75Å |
| 1093 | F | 77.6 | Confident | 66.5 | Low | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.1 | 175.5 | -59.2 | -92.3 | 0 | 0 | 0 | 109.6 | L1018 V1085 F1086 R1091 I1114 I1117 | L1018-F1093 HydrophobicContact CD1-CD1 4.34Å; L1018-F1093 HydrophobicContact CD1-CE1 3.55Å; L1018-F1093 HydrophobicContact CD1-CZ 3.84Å; V1085-F1093 CarbonylContact C-O 3.57Å; V1085-F1093 VanDerWaalsContact CA-O 3.26Å; V1085-F1093 WeakPolarHBondContact CA-O 3.32Å; F1086-F1093 HydrophobicContact CB-CB 4.27Å; F1086-F1093 PolarHBondContact N-O 3.05Å; F1086-F1093 PolarHBondContact O-N 2.89Å; R1091-F1093 HydrophobicContact CB-CD2 4.38Å; R1091-F1093 HydrophobicContact CB-CE2 3.68Å; R1091-F1093 HydrophobicContact CB-CZ 3.85Å; F1093-I1114 HydrophobicContact CD1-CD1 4.37Å; F1093-I1114 HydrophobicContact CD1-CG2 4.28Å; F1093-I1117 HydrophobicContact CD1-CD1 4.18Å; F1093-I1117 HydrophobicContact CD1-CG1 3.89Å; F1093-I1117 HydrophobicContact CD1-CG2 4.24Å; F1093-I1117 HydrophobicContact CE1-CD1 4Å; F1093-I1117 HydrophobicContact CE1-CG1 4.11Å; F1093-I1117 HydrophobicContact CE1-CG2 3.95Å; F1093-I1117 HydrophobicContact CZ-CG2 4.49Å |
| 1094 | F | 76 | Confident | 64.6 | Low | 19 Ų | 19 | 63 Ų | 63 | 8% | 0.083 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.4 | 176.8 | -67.4 | -100.5 | 0 | 0 | 0 | 110.3 | M1070 Y1083 V1085 L1092 I1114 T1115 Q1116 I1118 | M1070-F1094 HydrophobicContact SD-CD1 3.93Å; M1070-F1094 HydrophobicContact SD-CE1 3.83Å; Y1083-F1094 HydrophobicContact CD1-CB 4.25Å; V1085-F1094 HydrophobicContact CG2-CD1 3.38Å; V1085-F1094 HydrophobicContact CG2-CE1 3.52Å; V1085-F1094 HydrophobicContact CG2-CG 4.06Å; V1085-F1094 HydrophobicContact CG2-CZ 4.31Å; L1092-F1094 HydrophobicContact CB-CE2 4.04Å; L1092-F1094 HydrophobicContact CD2-CE1 4.33Å; L1092-F1094 HydrophobicContact CD2-CE2 3.6Å; L1092-F1094 HydrophobicContact CD2-CZ 3.44Å; L1092-F1094 VanDerWaalsContact CD2-CZ 3.44Å; L1092-F1094 HydrophobicContact CG-CE2 4.46Å; F1094-I1114 CarbonylContact O-C 3.58Å; F1094-I1114 VanDerWaalsContact O-CA 3.3Å; F1094-I1114 WeakPolarHBondContact O-CA 3.5Å; F1094-T1115 PolarHBondContact O-N 2.99Å; F1094-T1115 PolarHBondContact O-OG1 3.32Å; F1094-Q1116 HydrophobicContact CB-CB 4.29Å; F1094-Q1116 HydrophobicContact CD2-CB 3.95Å; F1094-Q1116 HydrophobicContact CG-CB 4.39Å; F1094-Q1116 PolarHBondContact N-O 3.33Å; F1094-I1118 HydrophobicContact CE2-CD1 3.78Å; F1094-I1118 HydrophobicContact CE2-CG1 4.18Å; F1094-I1118 HydrophobicContact CZ-CD1 4.32Å |
| 1095 | Y | 74.8 | Confident | 62.7 | Low | 25 Ų | 25 | 62 Ų | 62 | 10% | 0.098 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.2 | 178 | -180 | -89.2 | 0 | 0 | 0 | 110.2 | P1007 Y1083 R1084 L1097 S1113 | P1007-Y1095 HydrophobicContact CG-CD2 3.49Å; P1007-Y1095 VanDerWaalsContact CG-CD2 3.49Å; P1007-Y1095 HydrophobicContact CG-CE2 3.87Å; P1007-Y1095 HydrophobicContact CG-CG 4.08Å; Y1083-Y1095 CarbonylContact C-O 3.59Å; Y1083-Y1095 WeakPolarHBondContact CA-O 3.41Å; R1084-Y1095 HydrophobicContact CB-CD1 4.4Å; R1084-Y1095 PolarHBondContact N-O 3.3Å; R1084-Y1095 WeakPolarHBondContact O-CB 3.33Å; R1084-Y1095 PolarHBondContact O-N 3.12Å; Y1095-L1097 HydrophobicContact CD1-CD2 4.25Å; Y1095-L1097 HydrophobicContact CE1-CD2 4.34Å; Y1095-L1097 PolarHBondContact O-N 2.82Å; Y1095-S1113 WeakPolarHBondContact CA-O 3.43Å; Y1095-S1113 VanDerWaalsContact CE2-CB 3.46Å; Y1095-S1113 WeakPolarHBondContact CE2-OG 3.09Å |
| 1096 | D | 73.7 | Confident | 60.6 | Low | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 118.7 | 178.8 | -177.6 | 7.2 | 0 | 0 | 0 | 111.5 | M1081 Y1083 S1098 F1099 S1113 T1115 | M1081-D1096 VanDerWaalsContact SD-OD2 3.39Å; Y1083-D1096 HydrophobicContact CD1-CB 3.98Å; Y1083-D1096 HydrophobicContact CE1-CB 3.73Å; D1096-S1098 PolarHBondContact O-N 3.32Å; D1096-S1098 VanDerWaalsContact OD1-CB 3.22Å; D1096-S1098 WeakPolarHBondContact OD1-CB 3.42Å; D1096-S1098 PolarHBondContact OD1-N 3.23Å; D1096-S1098 PolarHBondContact OD1-OG 3.38Å; D1096-S1098 VanDerWaalsContact OD1-OG 3.1Å; D1096-S1098 PolarHBondContact OD2-OG 3.36Å; D1096-F1099 HydrophobicContact CB-CD2 3.87Å; D1096-F1099 HydrophobicContact CB-CE2 4.16Å; D1096-F1099 WeakPolarHBondContact OD2-CE2 3.47Å; D1096-S1113 PolarHBondContact N-O 3.33Å; D1096-T1115 HydrophobicContact CB-CG2 4.1Å |
| 1097 | L | 67.8 | Low | 58.7 | Low | 43 Ų | 43 | 72 Ų | 72 | 23% | 0.225 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -75.2 | -12.1 | 178.6 | -70.7 | 169.3 | 0 | 0 | 0 | 112.9 | K1082 R1084 Y1095 F1099 S1100 | K1082-L1097 HydrophobicContact CB-CB 4.27Å; K1082-L1097 HydrophobicContact CB-CD1 4.11Å; K1082-L1097 WeakPolarHBondContact O-CB 3.11Å; K1082-L1097 PolarHBondContact O-N 2.95Å; R1084-L1097 HydrophobicContact CB-CD1 4.24Å; R1084-L1097 HydrophobicContact CB-CD2 4.03Å; R1084-L1097 HydrophobicContact CB-CG 4.09Å; Y1095-L1097 HydrophobicContact CD1-CD2 4.25Å; Y1095-L1097 HydrophobicContact CE1-CD2 4.34Å; Y1095-L1097 PolarHBondContact O-N 2.82Å; L1097-F1099 VanDerWaalsContact C-N 3.26Å; L1097-F1099 PolarHBondContact O-N 3.29Å; L1097-S1100 WeakPolarHBondContact O-CB 3.19Å; L1097-S1100 PolarHBondContact O-N 3.06Å |
| 1098 | S | 63.6 | Low | 57.4 | Low | 68 Ų | 68 | 76.9 Ų | 76.9 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -66.4 | -27.4 | 179.5 | 84 | 0 | 0 | 0 | 0 | 113 | D1096 S1100 | D1096-S1098 PolarHBondContact O-N 3.32Å; D1096-S1098 VanDerWaalsContact OD1-CB 3.22Å; D1096-S1098 WeakPolarHBondContact OD1-CB 3.42Å; D1096-S1098 PolarHBondContact OD1-N 3.23Å; D1096-S1098 PolarHBondContact OD1-OG 3.38Å; D1096-S1098 VanDerWaalsContact OD1-OG 3.1Å; D1096-S1098 PolarHBondContact OD2-OG 3.36Å; S1098-S1100 VanDerWaalsContact C-N 3.3Å; S1098-S1100 PolarHBondContact O-N 2.86Å |
| 1099 | F | 54.2 | Low | 56.4 | Low | 99 Ų | 99 | 79.2 Ų | 79.2 | 43% | 0.434 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -69.2 | -22.4 | 175.9 | -75.8 | -87.1 | 0 | 0 | 0 | 113.8 | D1096 L1097 A1101 C1106 | D1096-F1099 HydrophobicContact CB-CD2 3.87Å; D1096-F1099 HydrophobicContact CB-CE2 4.16Å; D1096-F1099 WeakPolarHBondContact OD2-CE2 3.47Å; L1097-F1099 VanDerWaalsContact C-N 3.26Å; L1097-F1099 PolarHBondContact O-N 3.29Å; F1099-A1101 PolarHBondContact O-N 2.91Å; F1099-C1106 PolarHBondContact O-SG 3.08Å |
| 1100 | S | 46.9 | Very low | 55.4 | Low | 72 Ų | 72 | 74.7 Ų | 74.7 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -69.4 | -28.6 | -177.1 | 176.6 | 0 | 0 | 0 | 0 | 114 | L1097 S1098 N1102 | L1097-S1100 WeakPolarHBondContact O-CB 3.19Å; L1097-S1100 PolarHBondContact O-N 3.06Å; S1098-S1100 VanDerWaalsContact C-N 3.3Å; S1098-S1100 PolarHBondContact O-N 2.86Å; S1100-N1102 VanDerWaalsContact C-N 3.34Å; S1100-N1102 PolarHBondContact O-N 3.4Å |
| 1101 | A | 44.3 | Very low | 54.3 | Low | 88 Ų | 88 | 72.7 Ų | 72.7 | 73% | 0.727 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -74.3 | -21.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1099 A1103 | F1099-A1101 PolarHBondContact O-N 2.91Å; A1101-A1103 PolarHBondContact O-N 3.14Å |
| 1102 | N | 38.3 | Very low | 53.4 | Low | 111 Ų | 111 | 73.4 Ų | 73.4 | 59% | 0.594 | 40% | 0.404 | S | S | * | . | trans | -101.8 | 70.3 | 177.1 | -80.4 | -10.9 | 0 | 0 | 0 | 110.2 | S1100 D1104 A1105 C1106 | S1100-N1102 VanDerWaalsContact C-N 3.34Å; S1100-N1102 PolarHBondContact O-N 3.4Å; N1102-D1104 PolarHBondContact O-N 3.26Å; N1102-A1105 HydrophobicContact CB-CB 4.36Å; N1102-A1105 PolarHBondContact O-N 3.19Å; N1102-C1106 PolarHBondContact O-N 3.44Å; N1102-C1106 PolarHBondContact O-SG 3.41Å; N1102-C1106 VanDerWaalsContact O-SG 3.37Å | ||
| 1103 | A | 38.9 | Very low | 52.2 | Low | 82 Ų | 82 | 72.3 Ų | 72.3 | 68% | 0.678 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1101 | A1101-A1103 PolarHBondContact O-N 3.14Š|
| 1104 | D | 40.1 | Very low | 51.1 | Low | 173 Ų | 173 | 73.1 Ų | 73.1 | 93% | 0.925 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -24.2 | -177.6 | -69.4 | -26.8 | 0 | 0 | 0 | 113.9 | N1102 | N1102-D1104 PolarHBondContact O-N 3.26Š|
| 1105 | A | 39.4 | Very low | 50.1 | Low | 63 Ų | 63 | 75.5 Ų | 75.5 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -12.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1102 F1108 | N1102-A1105 HydrophobicContact CB-CB 4.36Å; N1102-A1105 PolarHBondContact O-N 3.19Å; A1105-F1108 WeakPolarHBondContact O-CD2 3.38Å; A1105-F1108 WeakPolarHBondContact O-CE2 3.43Å |
| 1106 | C | 37.3 | Very low | 49.3 | Very low | 41 Ų | 41 | 78.8 Ų | 78.8 | 28% | 0.277 | 44% | 0.436 | S | S | . | . | trans | -107.9 | 70.5 | -169.3 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | F1099 N1102 | F1099-C1106 PolarHBondContact O-SG 3.08Å; N1102-C1106 PolarHBondContact O-N 3.44Å; N1102-C1106 PolarHBondContact O-SG 3.41Å; N1102-C1106 VanDerWaalsContact O-SG 3.37Å | ||
| 1107 | K | 37.3 | Very low | 48.7 | Very low | 187 Ų | 187 | 83 Ų | 83 | 81% | 0.813 | 46% | 0.457 | S | S | * | . | trans | -81.6 | 5.8 | 154 | -86.9 | -175.5 | 176.3 | 179.7 | 0 | 112.6 | ||||
| 1108 | F | 46 | Very low | 48.5 | Very low | 140 Ų | 140 | 83.2 Ų | 83.2 | 61% | 0.614 | 46% | 0.458 | S | S | * | . | trans | -85.8 | 139.5 | -171.4 | -65.5 | -77 | 0 | 0 | 0 | 113.1 | A1105 | A1105-F1108 WeakPolarHBondContact O-CD2 3.38Å; A1105-F1108 WeakPolarHBondContact O-CE2 3.43Å | ||
| 1109 | F | 48.9 | Very low | 48.3 | Very low | 51 Ų | 51 | 82.9 Ų | 82.9 | 22% | 0.224 | 45% | 0.451 | C | S | . | . | trans | -61.9 | 151.5 | -165.9 | -49 | -66 | 0 | 0 | 0 | 115.8 | T1003 Q1020 K1021 E1111 K1112 | T1003-F1109 HydrophobicContact CG2-CD1 4.46Å; Q1020-F1109 HydrophobicContact CB-CB 4.27Å; Q1020-F1109 HydrophobicContact CB-CD2 4.29Å; Q1020-F1109 HydrophobicContact CB-CG 4.1Å; Q1020-F1109 WeakPolarHBondContact O-CD1 3.06Å; Q1020-F1109 WeakPolarHBondContact O-CG 3.44Å; K1021-F1109 HydrophobicContact CD-CE1 4Å; K1021-F1109 HydrophobicContact CD-CZ 4.2Å; K1021-F1109 VanDerWaalsContact CE-CZ 3.49Å; K1021-F1109 HydrophobicContact CG-CD1 4.02Å; K1021-F1109 HydrophobicContact CG-CE1 3.37Å; K1021-F1109 HydrophobicContact CG-CZ 3.99Å; F1109-E1111 PolarHBondContact O-N 3.29Å; F1109-K1112 PolarHBondContact O-N 3.33Å; F1109-K1112 VanDerWaalsContact O-N 3.13Å | ||
| 1110 | I | 47.2 | Very low | 48.4 | Very low | 1 Ų | 1 | 84.7 Ų | 84.7 | 1% | 0.005 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -48.9 | -37.4 | -179.5 | -69.1 | 169.1 | 0 | 0 | 0 | 112.8 | F1004 Q1006 P1007 K1112 S1113 I1114 | F1004-I1110 HydrophobicContact CB-CD1 3.88Å; F1004-I1110 WeakPolarHBondContact O-CD1 3.31Å; F1004-I1110 VanDerWaalsContact O-CG1 3.31Å; F1004-I1110 WeakPolarHBondContact O-CG1 3.39Å; Q1006-I1110 WeakPolarHBondContact O-CD1 3.47Å; P1007-I1110 HydrophobicContact CG-CG2 4.25Å; I1110-K1112 PolarHBondContact O-N 3.05Å; I1110-S1113 VanDerWaalsContact C-OG 3.31Å; I1110-S1113 WeakPolarHBondContact CA-OG 3.38Å; I1110-S1113 PolarHBondContact O-N 2.81Å; I1110-S1113 VanDerWaalsContact O-N 3.1Å; I1110-S1113 PolarHBondContact O-OG 3.13Å; I1110-I1114 HydrophobicContact CG2-CD1 3.98Å; I1110-I1114 HydrophobicContact CG2-CG1 4.33Å; I1110-I1114 PolarHBondContact O-N 3.32Å |
| 1111 | E | 45.4 | Very low | 48.7 | Very low | 101 Ų | 101 | 86.7 Ų | 86.7 | 47% | 0.472 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.3 | -35.7 | -174.2 | -154.6 | 169.8 | -142.7 | 0 | 0 | 112.7 | Q1020 F1109 S1113 I1114 | Q1020-E1111 HydrophobicContact CG-CB 4.5Å; Q1020-E1111 VanDerWaalsContact CG-OE2 3.26Å; Q1020-E1111 WeakPolarHBondContact CG-OE2 3.31Å; F1109-E1111 PolarHBondContact O-N 3.29Å; E1111-S1113 PolarHBondContact O-N 2.89Å; E1111-I1114 PolarHBondContact O-N 3.23Å |
| 1112 | K | 48.8 | Very low | 49.1 | Very low | 131 Ų | 131 | 89.6 Ų | 89.6 | 57% | 0.57 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.6 | -22.4 | 174.6 | -72.1 | -165.9 | 174.2 | -170.2 | 0 | 112.9 | F1109 I1110 | F1109-K1112 PolarHBondContact O-N 3.33Å; F1109-K1112 VanDerWaalsContact O-N 3.13Å; I1110-K1112 PolarHBondContact O-N 3.05Å |
| 1113 | S | 50 | Low | 49.4 | Very low | 11 Ų | 11 | 89 Ų | 89 | 8% | 0.077 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -90.7 | -11.3 | 177.3 | 51 | 0 | 0 | 0 | 0 | 114.5 | Y1095 D1096 I1110 E1111 T1115 | Y1095-S1113 WeakPolarHBondContact CA-O 3.43Å; Y1095-S1113 VanDerWaalsContact CE2-CB 3.46Å; Y1095-S1113 WeakPolarHBondContact CE2-OG 3.09Å; D1096-S1113 PolarHBondContact N-O 3.33Å; I1110-S1113 VanDerWaalsContact C-OG 3.31Å; I1110-S1113 WeakPolarHBondContact CA-OG 3.38Å; I1110-S1113 PolarHBondContact O-N 2.81Å; I1110-S1113 VanDerWaalsContact O-N 3.1Å; I1110-S1113 PolarHBondContact O-OG 3.13Å; E1111-S1113 PolarHBondContact O-N 2.89Å; S1113-T1115 PolarHBondContact O-N 3.49Å |
| 1114 | I | 53.3 | Low | 49.2 | Very low | 22 Ų | 22 | 92.8 Ų | 92.8 | 11% | 0.113 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 101.2 | 170.3 | -64.2 | 173.1 | 0 | 0 | 0 | 107.5 | L1018 F1093 F1094 I1110 E1111 I1117 | L1018-I1114 HydrophobicContact CD2-CD1 3.44Å; L1018-I1114 VanDerWaalsContact CD2-CD1 3.44Å; F1093-I1114 HydrophobicContact CD1-CD1 4.37Å; F1093-I1114 HydrophobicContact CD1-CG2 4.28Å; F1094-I1114 CarbonylContact O-C 3.58Å; F1094-I1114 VanDerWaalsContact O-CA 3.3Å; F1094-I1114 WeakPolarHBondContact O-CA 3.5Å; I1110-I1114 HydrophobicContact CG2-CD1 3.98Å; I1110-I1114 HydrophobicContact CG2-CG1 4.33Å; I1110-I1114 PolarHBondContact O-N 3.32Å; E1111-I1114 PolarHBondContact O-N 3.23Å; I1114-I1117 HydrophobicContact CG2-CD1 4.32Å; I1114-I1117 HydrophobicContact CG2-CG1 3.79Å |
| 1115 | T | 55.4 | Low | 49 | Very low | 69 Ų | 69 | 88.3 Ų | 88.3 | 42% | 0.423 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -23.1 | -173.8 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | Y1083 F1094 D1096 S1113 | Y1083-T1115 HydrophobicContact CE1-CG2 3.96Å; Y1083-T1115 WeakPolarHBondContact CE1-OG1 3.47Å; F1094-T1115 PolarHBondContact O-N 2.99Å; F1094-T1115 PolarHBondContact O-OG1 3.32Å; D1096-T1115 HydrophobicContact CB-CG2 4.1Å; S1113-T1115 PolarHBondContact O-N 3.49Å |
| 1116 | Q | 58 | Low | 48.6 | Very low | 95 Ų | 95 | 92.5 Ų | 92.5 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 139 | -177.6 | -157.2 | 171.9 | 8.6 | 0 | 0 | 112 | F1094 I1118 | F1094-Q1116 HydrophobicContact CB-CB 4.29Å; F1094-Q1116 HydrophobicContact CD2-CB 3.95Å; F1094-Q1116 HydrophobicContact CG-CB 4.39Å; F1094-Q1116 PolarHBondContact N-O 3.33Å; Q1116-I1118 HydrophobicContact CG-CG1 4.17Å |
| 1117 | I | 62.2 | Low | 49.1 | Very low | 96 Ų | 96 | 95.1 Ų | 95.1 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 111.4 | 172.7 | -53.9 | 176.6 | 0 | 0 | 0 | 108 | R1091 L1092 F1093 I1114 | R1091-I1117 HydrophobicContact CB-CG2 4.2Å; R1091-I1117 HydrophobicContact CG-CG2 4.48Å; L1092-I1117 WeakPolarHBondContact O-CA 3.17Å; F1093-I1117 HydrophobicContact CD1-CD1 4.18Å; F1093-I1117 HydrophobicContact CD1-CG1 3.89Å; F1093-I1117 HydrophobicContact CD1-CG2 4.24Å; F1093-I1117 HydrophobicContact CE1-CD1 4Å; F1093-I1117 HydrophobicContact CE1-CG1 4.11Å; F1093-I1117 HydrophobicContact CE1-CG2 3.95Å; F1093-I1117 HydrophobicContact CZ-CG2 4.49Å; I1114-I1117 HydrophobicContact CG2-CD1 4.32Å; I1114-I1117 HydrophobicContact CG2-CG1 3.79Å |
| 1118 | I | 64.1 | Low | 49.7 | Very low | 47 Ų | 47 | 90.2 Ų | 90.2 | 24% | 0.241 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.5 | 177.8 | -56.6 | 179.8 | 0 | 0 | 0 | 109.1 | R1091 L1092 F1094 Q1116 I1123 | R1091-I1118 CarbonylContact C-O 3.59Å; R1091-I1118 VanDerWaalsContact CA-O 3.27Å; R1091-I1118 WeakPolarHBondContact CA-O 3.28Å; L1092-I1118 HydrophobicContact CB-CB 4.22Å; L1092-I1118 PolarHBondContact N-O 3.27Å; L1092-I1118 PolarHBondContact O-N 2.95Å; F1094-I1118 HydrophobicContact CE2-CD1 3.78Å; F1094-I1118 HydrophobicContact CE2-CG1 4.18Å; F1094-I1118 HydrophobicContact CZ-CD1 4.32Å; Q1116-I1118 HydrophobicContact CG-CG1 4.17Å; I1118-I1123 HydrophobicContact CG2-CD1 4.2Å; I1118-I1123 HydrophobicContact CG2-CG1 4.3Å |
| 1119 | N | 58.2 | Low | 50 | Low | 60 Ų | 60 | 87.4 Ų | 87.4 | 32% | 0.321 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.5 | 176.6 | -142.5 | -14.1 | 0 | 0 | 0 | 108.9 | N1121 Q1122 | N1119-N1121 PolarHBondContact O-N 3.01Å; N1119-N1121 VanDerWaalsContact O-N 3.11Å; N1119-Q1122 HydrophobicContact CB-CG 4.26Å; N1119-Q1122 WeakPolarHBondContact O-CB 3.49Å; N1119-Q1122 PolarHBondContact O-N 2.99Å |
| 1120 | W | 56.7 | Low | 50 | Low | 137 Ų | 137 | 89.6 Ų | 89.6 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -58.1 | -32 | -172.2 | -170.1 | -83.9 | 0 | 0 | 0 | 113 | L1087 K1090 L1092 Q1122 I1123 | L1087-W1120 HydrophobicContact CD1-CE3 3.82Å; L1087-W1120 HydrophobicContact CD1-CZ3 3.98Å; K1090-W1120 HydrophobicContact CB-CB 4.14Å; K1090-W1120 WeakPolarHBondContact O-CB 3.49Å; K1090-W1120 PolarHBondContact O-N 2.86Å; L1092-W1120 HydrophobicContact CD1-CE3 3.92Å; L1092-W1120 HydrophobicContact CD1-CZ3 3.75Å; W1120-Q1122 PolarHBondContact O-N 2.89Å; W1120-I1123 PolarHBondContact O-N 3.22Å; W1120-I1123 VanDerWaalsContact O-N 3.11Å |
| 1121 | N | 53.4 | Low | 50.2 | Low | 114 Ų | 114 | 95.1 Ų | 95.1 | 61% | 0.61 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -69.5 | -10.9 | 176.7 | -64.3 | -6.9 | 0 | 0 | 0 | 114.1 | N1119 I1123 | N1119-N1121 PolarHBondContact O-N 3.01Å; N1119-N1121 VanDerWaalsContact O-N 3.11Å; N1121-I1123 VanDerWaalsContact C-N 3.28Å |
| 1122 | Q | 52.3 | Low | 50.5 | Low | 149 Ų | 149 | 94.7 Ų | 94.7 | 70% | 0.696 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -84.1 | -6.3 | 172.8 | -71.6 | 178.5 | -28.3 | 0 | 0 | 112.4 | N1119 W1120 D1124 | N1119-Q1122 HydrophobicContact CB-CG 4.26Å; N1119-Q1122 WeakPolarHBondContact O-CB 3.49Å; N1119-Q1122 PolarHBondContact O-N 2.99Å; W1120-Q1122 PolarHBondContact O-N 2.89Å; Q1122-D1124 VanDerWaalsContact C-N 3.25Å; Q1122-D1124 PolarHBondContact O-N 2.88Å |
| 1123 | I | 44.7 | Very low | 50.6 | Low | 99 Ų | 99 | 92.1 Ų | 92.1 | 51% | 0.508 | 55% | 0.548 | S | S | . | . | trans | -94.4 | 59.6 | 173.5 | -46.4 | 176.9 | 0 | 0 | 0 | 107.8 | I1118 W1120 N1121 | I1118-I1123 HydrophobicContact CG2-CD1 4.2Å; I1118-I1123 HydrophobicContact CG2-CG1 4.3Å; W1120-I1123 PolarHBondContact O-N 3.22Å; W1120-I1123 VanDerWaalsContact O-N 3.11Å; N1121-I1123 VanDerWaalsContact C-N 3.28Å | ||
| 1124 | D | 34.7 | Very low | 50.7 | Low | 162 Ų | 162 | 98.4 Ų | 98.4 | 87% | 0.866 | 58% | 0.584 | S | S | * | * | trans | -92.7 | 105.3 | 165.2 | -103.4 | -18.6 | 0 | 0 | 0 | 107.3 | Q1122 | Q1122-D1124 VanDerWaalsContact C-N 3.25Å; Q1122-D1124 PolarHBondContact O-N 2.88Å | ||
| 1125 | G | 34.9 | Very low | 50.5 | Low | 78 Ų | 78 | 104.8 Ų | 104.8 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | trans | 128.8 | 78.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1126 | G | 31.2 | Very low | 50 | Low | 151 Ų | 151 | 108 Ų | 108 | 100% | 1.557 | 64% | 0.642 | S | S | * | * | trans | 166.9 | 0 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 1,126 of 1,126 residues in 1345.8 ms
(Link to these results)