| 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 | 53.8 | Low | 64.2 | Low | 217 Ų | 217 | 118.4 Ų | 118.4 | 100% | 1.069 | 61% | 0.605 | S | S | * | * | 0 | -47.6 | 0 | -101.9 | 171 | 125.5 | 0 | 0 | 113.3 | K3 T4 | M1-K3 PolarHBondContact O-N 3.35Å; M1-T4 PolarHBondContact O-N 3.48Å | |||
| 2 | Q | 52.9 | Low | 64.8 | Low | 175 Ų | 175 | 116.7 Ų | 116.7 | 82% | 0.818 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.9 | -37.4 | -179.7 | -90 | 174.2 | -24 | 0 | 0 | 115.7 | T4 C5 L6 | Q2-T4 PolarHBondContact O-N 2.93Å; Q2-C5 PolarHBondContact O-N 2.82Å; Q2-L6 PolarHBondContact O-N 3.41Å |
| 3 | K | 56.2 | Low | 65 | Low | 184 Ų | 184 | 114.3 Ų | 114.3 | 80% | 0.8 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.6 | -33.5 | -177.2 | -68.7 | -173.2 | 176.4 | -175.9 | 0 | 113.9 | M1 M7 | M1-K3 PolarHBondContact O-N 3.35Å; K3-M7 PolarHBondContact O-N 2.75Å |
| 4 | T | 61.8 | Low | 64.7 | Low | 91 Ų | 91 | 112.7 Ų | 112.7 | 56% | 0.558 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.5 | -42.4 | -179.7 | -26.3 | 0 | 0 | 0 | 0 | 110.7 | M1 Q2 L6 M7 E8 | M1-T4 PolarHBondContact O-N 3.48Å; Q2-T4 PolarHBondContact O-N 2.93Å; T4-L6 VanDerWaalsContact C-N 3.34Å; T4-L6 PolarHBondContact O-N 3.21Å; T4-M7 PolarHBondContact O-N 2.74Å; T4-E8 PolarHBondContact O-N 2.89Å; T4-E8 VanDerWaalsContact O-N 3.08Å |
| 5 | C | 63.3 | Low | 64.5 | Low | 67 Ų | 67 | 111.6 Ų | 111.6 | 45% | 0.453 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.3 | -39.4 | 179 | -159.3 | 0 | 0 | 0 | 0 | 112.1 | Q2 E8 I9 | Q2-C5 PolarHBondContact O-N 2.82Å; C5-E8 PolarHBondContact O-N 3.31Å; C5-I9 VanDerWaalsContact O-CG1 3.28Å; C5-I9 WeakPolarHBondContact O-CG1 3.46Å; C5-I9 PolarHBondContact O-N 3.39Å |
| 6 | L | 68.3 | Low | 64.1 | Low | 119 Ų | 119 | 113.8 Ų | 113.8 | 62% | 0.623 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.5 | -36.3 | -180 | -135 | 144.5 | 0 | 0 | 0 | 112.4 | Q2 T4 T10 | Q2-L6 PolarHBondContact O-N 3.41Å; T4-L6 VanDerWaalsContact C-N 3.34Å; T4-L6 PolarHBondContact O-N 3.21Å; L6-T10 WeakPolarHBondContact O-CB 3.35Å; L6-T10 PolarHBondContact O-N 3.36Å; L6-T10 PolarHBondContact O-OG1 2.74Å |
| 7 | M | 65 | Low | 63.6 | Low | 131 Ų | 131 | 112.1 Ų | 112.1 | 65% | 0.645 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.9 | -44.4 | 173.2 | -74.5 | -74.3 | -71.7 | 0 | 0 | 111.4 | K3 T4 T10 V11 | K3-M7 PolarHBondContact O-N 2.75Å; T4-M7 PolarHBondContact O-N 2.74Å; M7-T10 PolarHBondContact O-N 3.06Å; M7-V11 VanDerWaalsContact O-CG2 3.3Å; M7-V11 WeakPolarHBondContact O-CG2 3.28Å; M7-V11 PolarHBondContact O-N 3.06Å |
| 8 | E | 66.6 | Low | 63.1 | Low | 117 Ų | 117 | 112.2 Ų | 112.2 | 55% | 0.547 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.9 | -44.2 | 177.6 | -74.7 | 178 | 176.9 | 0 | 0 | 112 | T4 C5 T10 V11 I12 | T4-E8 PolarHBondContact O-N 2.89Å; T4-E8 VanDerWaalsContact O-N 3.08Å; C5-E8 PolarHBondContact O-N 3.31Å; E8-T10 VanDerWaalsContact C-N 3.34Å; E8-T10 PolarHBondContact O-N 3.16Å; E8-V11 PolarHBondContact O-N 3.18Å; E8-I12 WeakPolarHBondContact O-CB 3.43Å; E8-I12 VanDerWaalsContact O-CG1 3.23Å; E8-I12 WeakPolarHBondContact O-CG1 3.48Å; E8-I12 PolarHBondContact O-N 3.25Å |
| 9 | I | 73.8 | Confident | 62.5 | Low | 90 Ų | 90 | 110.4 Ų | 110.4 | 46% | 0.462 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.8 | -43.5 | 175.9 | -67.7 | 166 | 0 | 0 | 0 | 110.6 | C5 V11 I12 I13 | C5-I9 VanDerWaalsContact O-CG1 3.28Å; C5-I9 WeakPolarHBondContact O-CG1 3.46Å; C5-I9 PolarHBondContact O-N 3.39Å; I9-V11 PolarHBondContact O-N 3.33Å; I9-I12 PolarHBondContact O-N 2.7Å; I9-I13 HydrophobicContact CG2-CD1 3.69Å; I9-I13 HydrophobicContact CG2-CG1 4.36Å; I9-I13 WeakPolarHBondContact O-CB 3.42Å; I9-I13 WeakPolarHBondContact O-CG1 3.43Å; I9-I13 PolarHBondContact O-N 3.32Å |
| 10 | T | 71.4 | Confident | 62.3 | Low | 41 Ų | 41 | 108.1 Ų | 108.1 | 25% | 0.252 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.2 | -42.8 | 178.8 | -51.9 | 0 | 0 | 0 | 0 | 111.1 | L6 M7 E8 I13 L14 F225 | L6-T10 WeakPolarHBondContact O-CB 3.35Å; L6-T10 PolarHBondContact O-N 3.36Å; L6-T10 PolarHBondContact O-OG1 2.74Å; M7-T10 PolarHBondContact O-N 3.06Å; E8-T10 VanDerWaalsContact C-N 3.34Å; E8-T10 PolarHBondContact O-N 3.16Å; T10-I13 PolarHBondContact O-N 3.22Å; T10-L14 HydrophobicContact CG2-CD1 4.1Å; T10-L14 WeakPolarHBondContact O-CB 3.44Å; T10-L14 VanDerWaalsContact O-CG 3.26Å; T10-L14 WeakPolarHBondContact O-CG 3.29Å; T10-L14 PolarHBondContact O-N 3.45Å; T10-F225 HydrophobicContact CG2-CZ 4.44Å |
| 11 | V | 73.4 | Confident | 62.5 | Low | 70 Ų | 70 | 111.9 Ų | 111.9 | 42% | 0.424 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.4 | -42 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | M7 E8 I9 I13 L14 I15 | M7-V11 VanDerWaalsContact O-CG2 3.3Å; M7-V11 WeakPolarHBondContact O-CG2 3.28Å; M7-V11 PolarHBondContact O-N 3.06Å; E8-V11 PolarHBondContact O-N 3.18Å; I9-V11 PolarHBondContact O-N 3.33Å; V11-I13 VanDerWaalsContact C-N 3.34Å; V11-I13 PolarHBondContact O-N 3.36Å; V11-L14 PolarHBondContact O-N 3.14Å; V11-I15 HydrophobicContact CG1-CD1 3.61Å; V11-I15 HydrophobicContact CG1-CG1 4.24Å; V11-I15 WeakPolarHBondContact O-CB 3.23Å; V11-I15 WeakPolarHBondContact O-CG1 3.4Å; V11-I15 PolarHBondContact O-N 3.46Å |
| 12 | I | 70.8 | Confident | 63.7 | Low | 98 Ų | 98 | 105.7 Ų | 105.7 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.8 | -41.2 | 176.3 | -69.1 | 165.1 | 0 | 0 | 0 | 111 | E8 I9 I15 K16 | E8-I12 WeakPolarHBondContact O-CB 3.43Å; E8-I12 VanDerWaalsContact O-CG1 3.23Å; E8-I12 WeakPolarHBondContact O-CG1 3.48Å; E8-I12 PolarHBondContact O-N 3.25Å; I9-I12 PolarHBondContact O-N 2.7Å; I12-I15 PolarHBondContact O-N 2.9Å; I12-K16 WeakPolarHBondContact O-CB 3.25Å; I12-K16 WeakPolarHBondContact O-CG 3.35Å; I12-K16 PolarHBondContact O-N 2.84Å |
| 13 | I | 67.4 | Low | 65.3 | Low | 86 Ų | 86 | 103 Ų | 103 | 44% | 0.441 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.7 | -49.1 | 174.6 | -69.1 | 168.5 | 0 | 0 | 0 | 109.5 | I9 T10 V11 I15 K16 F17 | I9-I13 HydrophobicContact CG2-CD1 3.69Å; I9-I13 HydrophobicContact CG2-CG1 4.36Å; I9-I13 WeakPolarHBondContact O-CB 3.42Å; I9-I13 WeakPolarHBondContact O-CG1 3.43Å; I9-I13 PolarHBondContact O-N 3.32Å; T10-I13 PolarHBondContact O-N 3.22Å; V11-I13 VanDerWaalsContact C-N 3.34Å; V11-I13 PolarHBondContact O-N 3.36Å; I13-I15 VanDerWaalsContact C-N 3.35Å; I13-I15 PolarHBondContact O-N 3.25Å; I13-K16 PolarHBondContact O-N 2.85Å; I13-F17 HydrophobicContact CG2-CD2 3.75Å; I13-F17 HydrophobicContact CG2-CE2 3.65Å; I13-F17 WeakPolarHBondContact O-CB 3.27Å; I13-F17 WeakPolarHBondContact O-CD2 3.5Å; I13-F17 PolarHBondContact O-N 3.11Å |
| 14 | L | 61.5 | Low | 67 | Low | 92 Ų | 92 | 98.6 Ų | 98.6 | 48% | 0.482 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 177.7 | -73.5 | 167.8 | 0 | 0 | 0 | 111.9 | T10 V11 K16 F17 T18 | T10-L14 HydrophobicContact CG2-CD1 4.1Å; T10-L14 WeakPolarHBondContact O-CB 3.44Å; T10-L14 VanDerWaalsContact O-CG 3.26Å; T10-L14 WeakPolarHBondContact O-CG 3.29Å; T10-L14 PolarHBondContact O-N 3.45Å; V11-L14 PolarHBondContact O-N 3.14Å; L14-K16 PolarHBondContact O-N 3.36Å; L14-F17 PolarHBondContact O-N 3.23Å; L14-F17 VanDerWaalsContact O-N 3.14Å; L14-T18 WeakPolarHBondContact O-CG2 3.28Å; L14-T18 PolarHBondContact O-N 3.32Å; L14-T18 PolarHBondContact O-OG1 2.96Å; L14-T18 VanDerWaalsContact O-OG1 3.1Å |
| 15 | I | 61.7 | Low | 68.4 | Low | 96 Ų | 96 | 95.1 Ų | 95.1 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 177.1 | -69.6 | 167.7 | 0 | 0 | 0 | 110.5 | V11 I12 I13 F17 T18 S19 | V11-I15 HydrophobicContact CG1-CD1 3.61Å; V11-I15 HydrophobicContact CG1-CG1 4.24Å; V11-I15 WeakPolarHBondContact O-CB 3.23Å; V11-I15 WeakPolarHBondContact O-CG1 3.4Å; V11-I15 PolarHBondContact O-N 3.46Å; I12-I15 PolarHBondContact O-N 2.9Å; I13-I15 VanDerWaalsContact C-N 3.35Å; I13-I15 PolarHBondContact O-N 3.25Å; I15-F17 PolarHBondContact O-N 3.18Å; I15-T18 WeakPolarHBondContact CA-OG1 3.35Å; I15-T18 CarbonylContact O-C 3.48Å; I15-T18 PolarHBondContact O-N 3.17Å; I15-T18 VanDerWaalsContact O-N 3.11Å; I15-T18 PolarHBondContact O-OG1 3.24Å; I15-S19 VanDerWaalsContact O-CB 3.23Å; I15-S19 WeakPolarHBondContact O-CB 3.17Å; I15-S19 PolarHBondContact O-N 2.93Å; I15-S19 PolarHBondContact O-OG 3.02Å |
| 16 | K | 58.2 | Low | 69.7 | Low | 147 Ų | 147 | 97.1 Ų | 97.1 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -27.5 | 176.4 | -79.5 | -165.6 | 174 | -168 | 0 | 113.4 | I12 I13 L14 | I12-K16 WeakPolarHBondContact O-CB 3.25Å; I12-K16 WeakPolarHBondContact O-CG 3.35Å; I12-K16 PolarHBondContact O-N 2.84Å; I13-K16 PolarHBondContact O-N 2.85Å; L14-K16 PolarHBondContact O-N 3.36Å |
| 17 | F | 55.4 | Low | 70.8 | Confident | 84 Ų | 84 | 91.4 Ų | 91.4 | 37% | 0.368 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -78.6 | -30.6 | 174.1 | -88.6 | -112.7 | 0 | 0 | 0 | 112.2 | I13 L14 I15 R214 | I13-F17 HydrophobicContact CG2-CD2 3.75Å; I13-F17 HydrophobicContact CG2-CE2 3.65Å; I13-F17 WeakPolarHBondContact O-CB 3.27Å; I13-F17 WeakPolarHBondContact O-CD2 3.5Å; I13-F17 PolarHBondContact O-N 3.11Å; L14-F17 PolarHBondContact O-N 3.23Å; L14-F17 VanDerWaalsContact O-N 3.14Å; I15-F17 PolarHBondContact O-N 3.18Å; F17-R214 HydrophobicContact CD1-CG 4.32Å; F17-R214 VanDerWaalsContact CD2-NH2 3.32Å; F17-R214 HydrophobicContact CE1-CG 3.39Å; F17-R214 VanDerWaalsContact CG-NH2 3.26Å; F17-R214 HydrophobicContact CZ-CG 3.91Å |
| 18 | T | 54.2 | Low | 71.9 | Confident | 115 Ų | 115 | 88.2 Ų | 88.2 | 71% | 0.706 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -86.6 | -16.7 | 176 | 54.5 | 0 | 0 | 0 | 0 | 114 | L14 I15 A20 | L14-T18 WeakPolarHBondContact O-CG2 3.28Å; L14-T18 PolarHBondContact O-N 3.32Å; L14-T18 PolarHBondContact O-OG1 2.96Å; L14-T18 VanDerWaalsContact O-OG1 3.1Å; I15-T18 WeakPolarHBondContact CA-OG1 3.35Å; I15-T18 CarbonylContact O-C 3.48Å; I15-T18 PolarHBondContact O-N 3.17Å; I15-T18 VanDerWaalsContact O-N 3.11Å; I15-T18 PolarHBondContact O-OG1 3.24Å; T18-A20 VanDerWaalsContact C-N 3.33Å; T18-A20 PolarHBondContact O-N 3.2Å |
| 19 | S | 51.6 | Low | 73 | Confident | 78 Ų | 78 | 82.6 Ų | 82.6 | 55% | 0.545 | 44% | 0.437 | S | S | . | . | trans | -91 | 18.7 | -174.3 | 78.8 | 0 | 0 | 0 | 0 | 114.4 | I15 E21 | I15-S19 VanDerWaalsContact O-CB 3.23Å; I15-S19 WeakPolarHBondContact O-CB 3.17Å; I15-S19 PolarHBondContact O-N 2.93Å; I15-S19 PolarHBondContact O-OG 3.02Å; S19-E21 PolarHBondContact O-N 3.42Å | ||
| 20 | A | 59.6 | Low | 73.6 | Confident | 63 Ų | 63 | 79.8 Ų | 79.8 | 52% | 0.521 | 42% | 0.423 | S | S | . | . | trans | -67.4 | 115 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | T18 L22 | T18-A20 VanDerWaalsContact C-N 3.33Å; T18-A20 PolarHBondContact O-N 3.2Å; A20-L22 VanDerWaalsContact C-N 3.3Å; A20-L22 HydrophobicContact CB-CD2 4.26Å; A20-L22 PolarHBondContact O-N 3.06Å | ||
| 21 | E | 65.2 | Low | 74.1 | Confident | 189 Ų | 189 | 79.2 Ų | 79.2 | 88% | 0.883 | 42% | 0.422 | S | S | * | . | trans | -72 | 89.3 | 176.1 | -170.5 | 172.6 | -174.2 | 0 | 0 | 107.9 | S19 | S19-E21 PolarHBondContact O-N 3.42Š| ||
| 22 | L | 80.1 | Confident | 74.5 | Confident | 86 Ų | 86 | 78.5 Ų | 78.5 | 45% | 0.45 | 42% | 0.421 | S | S | . | . | trans | -75.2 | 132.4 | 177.8 | -58.7 | 179.8 | 0 | 0 | 0 | 109.2 | A20 | A20-L22 VanDerWaalsContact C-N 3.3Å; A20-L22 HydrophobicContact CB-CD2 4.26Å; A20-L22 PolarHBondContact O-N 3.06Å | ||
| 23 | Q | 85.9 | Confident | 75.2 | Confident | 119 Ų | 119 | 74.4 Ų | 74.4 | 56% | 0.556 | 40% | 0.4 | S | S | * | . | trans | -104.2 | 139.1 | -179.4 | -163.6 | 175 | 14.1 | 0 | 0 | 111.9 | D49 N50 | Q23-D49 PolarHBondContact N-OD1 3.45Å; Q23-D49 WeakPolarHBondContact O-CA 3.06Å; Q23-D49 VanDerWaalsContact O-CB 3.31Å; Q23-D49 WeakPolarHBondContact O-CB 3.33Å; Q23-N50 PolarHBondContact O-N 3.15Å | ||
| 24 | D | 90.8 | Very high | 76.1 | Confident | 92 Ų | 92 | 76.1 Ų | 76.1 | 49% | 0.492 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 114.7 | 171.6 | -68.8 | -16.7 | 0 | 0 | 0 | 110.4 | N50 I52 | D24-N50 WeakPolarHBondContact OD1-CB 3.2Å; D24-N50 PolarHBondContact OD1-ND2 3.44Å; D24-I52 HydrophobicContact CB-CD1 4.07Å |
| 25 | H | 91.6 | Very high | 77.3 | Confident | 18 Ų | 18 | 74.1 Ų | 74.1 | 8% | 0.083 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 95.2 | 176.1 | -59.5 | -90.2 | 0 | 0 | 0 | 109.7 | I27 D49 N50 L51 I52 | H25-I27 WeakPolarHBondContact O-CD1 3.15Å; H25-D49 IonicContact CD2-OD2 3.66Å; H25-D49 IonicContact CE1-OD2 3.94Å; H25-D49 IonicContact NE2-OD2 2.85Å; H25-D49 PolarHBondContact NE2-OD2 3.26Å; H25-N50 PolarHBondContact N-O 2.58Å; H25-L51 HydrophobicContact CB-CD2 3.81Å; H25-I52 PolarHBondContact O-N 3.46Å |
| 26 | I | 90.5 | Very high | 78.5 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 55% | 0.554 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 120 | 179.5 | -55.1 | 173.5 | 0 | 0 | 0 | 110 | I52 I54 | I26-I52 HydrophobicContact CG1-CB 4.41Å; I26-I52 HydrophobicContact CG1-CD1 4.34Å; I26-I54 HydrophobicContact CG2-CD1 3.67Å; I26-I54 HydrophobicContact CG2-CG1 4.41Å |
| 27 | I | 91.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 106.3 | 176.7 | -56.4 | 113.9 | 0 | 0 | 0 | 108.8 | H25 W29 F36 I43 L51 I52 F53 I54 L138 | H25-I27 WeakPolarHBondContact O-CD1 3.15Å; I27-W29 HydrophobicContact CG2-CE3 4.03Å; I27-W29 PolarHBondContact O-N 3.45Å; I27-F36 HydrophobicContact CG2-CZ 4.21Å; I27-I43 HydrophobicContact CD1-CD1 4.03Å; I27-I43 HydrophobicContact CG1-CD1 3.87Å; I27-L51 HydrophobicContact CD1-CB 4.41Å; I27-I52 PolarHBondContact N-O 3.13Å; I27-F53 HydrophobicContact CB-CD1 4.04Å; I27-F53 HydrophobicContact CB-CE1 4.29Å; I27-F53 HydrophobicContact CD1-CD1 4.27Å; I27-F53 HydrophobicContact CD1-CE1 3.94Å; I27-F53 HydrophobicContact CD1-CE2 4.47Å; I27-F53 HydrophobicContact CD1-CZ 4.05Å; I27-F53 HydrophobicContact CG1-CE1 4.5Å; I27-F53 HydrophobicContact CG2-CD1 4.15Å; I27-F53 HydrophobicContact CG2-CE1 4.31Å; I27-F53 WeakPolarHBondContact O-CA 3.41Å; I27-I54 PolarHBondContact O-N 3.01Å; I27-L138 HydrophobicContact CD1-CD2 4.11Å; I27-L138 HydrophobicContact CG1-CD2 4.17Å |
| 28 | L | 89.3 | Confident | 80.9 | Confident | 63 Ų | 63 | 71 Ų | 71 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 108.4 | 164.1 | -175.6 | 69.3 | 0 | 0 | 0 | 107.9 | D30 N33 I54 P56 | L28-D30 HydrophobicContact CD2-CB 4.33Å; L28-D30 HydrophobicContact CG-CB 4.13Å; L28-D30 PolarHBondContact O-N 2.84Å; L28-N33 HydrophobicContact CB-CB 4.38Å; L28-N33 PolarHBondContact N-ND2 3.17Å; L28-N33 WeakPolarHBondContact O-CB 3.26Å; L28-N33 PolarHBondContact O-ND2 3.1Å; L28-I54 HydrophobicContact CD1-CB 4.5Å; L28-I54 HydrophobicContact CD1-CG2 4.43Å; L28-P56 HydrophobicContact CD1-CB 4.41Å; L28-P56 HydrophobicContact CD1-CG 4.4Å |
| 29 | W | 89.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | trans | -80 | 69.1 | -177.5 | -164 | -112.7 | 0 | 0 | 0 | 108.9 | I27 F36 F53 I54 R59 Q63 L65 F124 A126 F136 L138 | I27-W29 HydrophobicContact CG2-CE3 4.03Å; I27-W29 PolarHBondContact O-N 3.45Å; W29-F36 AromaticContact CE3-CZ 3.96Å; W29-F36 HydrophobicContact CE3-CZ 3.96Å; W29-F36 HydrophobicContact CZ3-CE1 4.37Å; W29-F36 AromaticContact CZ3-CZ 3.85Å; W29-F36 HydrophobicContact CZ3-CZ 3.85Å; W29-F53 HydrophobicContact CD2-CD1 4.34Å; W29-F53 AromaticContact CE3-CD1 3.72Å; W29-F53 HydrophobicContact CE3-CD1 3.72Å; W29-F53 AromaticContact CE3-CE1 3.98Å; W29-F53 HydrophobicContact CE3-CE1 3.98Å; W29-F53 HydrophobicContact CZ3-CD1 4.19Å; W29-F53 AromaticContact CZ3-CE1 3.97Å; W29-F53 HydrophobicContact CZ3-CE1 3.97Å; W29-I54 PolarHBondContact N-O 3.27Å; W29-R59 PolarHBondContact O-NH1 3.21Å; W29-R59 PolarHBondContact O-NH2 2.83Å; W29-Q63 VanDerWaalsContact CD1-O 3.28Å; W29-Q63 PolarHBondContact NE1-O 2.91Å; W29-Q63 PolarHBondContact O-OE1 3.43Å; W29-L65 HydrophobicContact CD2-CD1 3.84Å; W29-L65 HydrophobicContact CE3-CD1 3.95Å; W29-L65 HydrophobicContact CH2-CD1 3.45Å; W29-L65 VanDerWaalsContact CH2-CD1 3.45Å; W29-L65 HydrophobicContact CZ2-CD1 3.32Å; W29-L65 HydrophobicContact CZ3-CD1 3.76Å; W29-F124 HydrophobicContact CH2-CB 4.06Å; W29-F124 HydrophobicContact CZ3-CB 4.39Å; W29-A126 HydrophobicContact CZ2-CB 4.09Å; W29-F136 HydrophobicContact CB-CE2 4.5Å; W29-F136 HydrophobicContact CB-CZ 4.16Å; W29-F136 AromaticContact CD1-CZ 3.42Å; W29-F136 VanDerWaalsContact CD1-CZ 3.42Å; W29-F136 HydrophobicContact CD2-CD2 4.37Å; W29-F136 HydrophobicContact CD2-CE1 4.47Å; W29-F136 AromaticContact CD2-CE2 3.34Å; W29-F136 HydrophobicContact CD2-CE2 3.34Å; W29-F136 AromaticContact CD2-CZ 3.41Å; W29-F136 HydrophobicContact CD2-CZ 3.41Å; W29-F136 VanDerWaalsContact CD2-CZ 3.41Å; W29-F136 AromaticContact CE2-CE2 3.51Å; W29-F136 AromaticContact CE2-CZ 3.41Å; W29-F136 VanDerWaalsContact CE2-CZ 3.41Å; W29-F136 HydrophobicContact CE3-CD2 4.4Å; W29-F136 AromaticContact CE3-CE2 3.56Å; W29-F136 HydrophobicContact CE3-CE2 3.56Å; W29-F136 HydrophobicContact CE3-CZ 4.13Å; W29-F136 HydrophobicContact CG-CE1 4.46Å; W29-F136 AromaticContact CG-CE2 3.81Å; W29-F136 HydrophobicContact CG-CE2 3.81Å; W29-F136 AromaticContact CG-CZ 3.41Å; W29-F136 HydrophobicContact CG-CZ 3.41Å; W29-F136 VanDerWaalsContact CG-CZ 3.41Å; W29-F136 HydrophobicContact CH2-CD2 4.23Å; W29-F136 HydrophobicContact CH2-CE2 4.07Å; W29-F136 HydrophobicContact CZ2-CD2 4.18Å; W29-F136 AromaticContact CZ2-CE2 3.88Å; W29-F136 HydrophobicContact CZ2-CE2 3.88Å; W29-F136 HydrophobicContact CZ2-CZ 4.11Å; W29-F136 HydrophobicContact CZ3-CD2 4.34Å; W29-F136 AromaticContact CZ3-CE2 3.93Å; W29-F136 HydrophobicContact CZ3-CE2 3.93Å; W29-F136 AromaticContact NE1-CE1 3.84Å; W29-F136 AromaticContact NE1-CZ 3.41Å; W29-F136 WeakPolarHBondContact O-CZ 3.49Å; W29-L138 HydrophobicContact CZ3-CB 4.43Å | ||
| 30 | D | 85.5 | Confident | 83.9 | Confident | 31 Ų | 31 | 71.8 Ų | 71.8 | 17% | 0.166 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -143.6 | 154 | 178 | -163.5 | 28 | 0 | 0 | 0 | 113.4 | L28 S32 N33 F36 P56 R59 Q63 | L28-D30 HydrophobicContact CD2-CB 4.33Å; L28-D30 HydrophobicContact CG-CB 4.13Å; L28-D30 PolarHBondContact O-N 2.84Å; D30-S32 PolarHBondContact O-N 2.97Å; D30-S32 VanDerWaalsContact O-N 3.15Å; D30-S32 VanDerWaalsContact OD2-CB 3.25Å; D30-S32 WeakPolarHBondContact OD2-CB 3.33Å; D30-S32 PolarHBondContact OD2-N 3.47Å; D30-S32 PolarHBondContact OD2-OG 3.5Å; D30-N33 VanDerWaalsContact O-CB 3.28Å; D30-N33 WeakPolarHBondContact O-CB 3.31Å; D30-N33 PolarHBondContact O-N 2.94Å; D30-F36 VanDerWaalsContact O-CD2 3.23Å; D30-F36 WeakPolarHBondContact O-CD2 3.38Å; D30-P56 HydrophobicContact CB-CG 4.02Å; D30-R59 IonicContact OD1-CZ 3.97Å; D30-R59 IonicContact OD1-NE 2.71Å; D30-R59 IonicContact OD1-NH2 3.63Å; D30-R59 PolarHBondContact OD1-NH2 2.82Å; D30-R59 IonicContact OD2-NH2 2.66Å; D30-Q63 PolarHBondContact OD1-NE2 3.29Å |
| 31 | A | 81.9 | Confident | 85.2 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.5 | N33 N134 | A31-N33 VanDerWaalsContact C-N 3.3Å; A31-N134 HydrophobicContact CB-CB 3.91Å; A31-N134 WeakPolarHBondContact CB-ND2 3.37Å |
| 32 | S | 82.1 | Confident | 86.5 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -19.2 | 174.8 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | D30 W34 K37 | D30-S32 PolarHBondContact O-N 2.97Å; D30-S32 VanDerWaalsContact O-N 3.15Å; D30-S32 VanDerWaalsContact OD2-CB 3.25Å; D30-S32 WeakPolarHBondContact OD2-CB 3.33Å; D30-S32 PolarHBondContact OD2-N 3.47Å; D30-S32 PolarHBondContact OD2-OG 3.5Å; S32-W34 PolarHBondContact O-N 2.81Å; S32-K37 WeakPolarHBondContact O-CE 3.35Å; S32-K37 PolarHBondContact O-NZ 3.41Å |
| 33 | N | 85.9 | Confident | 87.1 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 6% | 0.059 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -63.9 | 128.8 | -177.3 | -174.2 | -23.1 | 0 | 0 | 0 | 110.9 | L28 D30 A31 R35 F36 K37 | L28-N33 HydrophobicContact CB-CB 4.38Å; L28-N33 PolarHBondContact N-ND2 3.17Å; L28-N33 WeakPolarHBondContact O-CB 3.26Å; L28-N33 PolarHBondContact O-ND2 3.1Å; D30-N33 VanDerWaalsContact O-CB 3.28Å; D30-N33 WeakPolarHBondContact O-CB 3.31Å; D30-N33 PolarHBondContact O-N 2.94Å; A31-N33 VanDerWaalsContact C-N 3.3Å; N33-R35 PolarHBondContact O-N 3.49Å; N33-R35 PolarHBondContact OD1-N 2.74Å; N33-F36 HydrophobicContact CB-CD2 3.75Å; N33-F36 HydrophobicContact CB-CE2 3.84Å; N33-F36 PolarHBondContact O-N 2.8Å; N33-K37 PolarHBondContact O-N 3.11Å |
| 34 | W | 85.6 | Confident | 87.3 | Confident | 122 Ų | 122 | 59.7 Ų | 59.7 | 46% | 0.462 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.7 | -32.3 | -178.1 | 65.2 | -91.6 | 0 | 0 | 0 | 112.6 | S32 F36 K37 E38 Q40 | S32-W34 PolarHBondContact O-N 2.81Å; W34-F36 VanDerWaalsContact C-N 3.3Å; W34-F36 PolarHBondContact O-N 2.04Å; W34-K37 PolarHBondContact O-N 3.41Å; W34-E38 WeakPolarHBondContact O-CB 3.24Å; W34-E38 PolarHBondContact O-N 3.05Å; W34-Q40 HydrophobicContact CZ3-CB 4.16Å; W34-Q40 HydrophobicContact CZ3-CG 4.37Å |
| 35 | R | 87.4 | Confident | 87.4 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.7 | -43.5 | 178.3 | -71.6 | -174.4 | 177.6 | -86.3 | 4 | 112.2 | N33 N39 Q40 N41 | N33-R35 PolarHBondContact O-N 3.49Å; N33-R35 PolarHBondContact OD1-N 2.74Å; R35-N39 PolarHBondContact O-N 2.99Å; R35-Q40 CarbonylContact O-C 3.58Å; R35-Q40 PolarHBondContact O-N 2.87Å; R35-N41 PolarHBondContact O-OD1 2.8Å |
| 36 | F | 86.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -77.4 | -35.9 | 180 | -51.1 | -55 | 0 | 0 | 0 | 112.2 | I27 W29 D30 N33 W34 N39 F136 | I27-F36 HydrophobicContact CG2-CZ 4.21Å; W29-F36 AromaticContact CE3-CZ 3.96Å; W29-F36 HydrophobicContact CE3-CZ 3.96Å; W29-F36 HydrophobicContact CZ3-CE1 4.37Å; W29-F36 AromaticContact CZ3-CZ 3.85Å; W29-F36 HydrophobicContact CZ3-CZ 3.85Å; D30-F36 VanDerWaalsContact O-CD2 3.23Å; D30-F36 WeakPolarHBondContact O-CD2 3.38Å; N33-F36 HydrophobicContact CB-CD2 3.75Å; N33-F36 HydrophobicContact CB-CE2 3.84Å; N33-F36 PolarHBondContact O-N 2.8Å; W34-F36 VanDerWaalsContact C-N 3.3Å; W34-F36 PolarHBondContact O-N 2.04Å; F36-N39 PolarHBondContact O-N 3.38Å; F36-F136 HydrophobicContact CD1-CD2 4.08Å; F36-F136 AromaticContact CD2-CD2 3.62Å; F36-F136 HydrophobicContact CD2-CD2 3.62Å; F36-F136 AromaticContact CD2-CE2 3.85Å; F36-F136 HydrophobicContact CD2-CE2 3.85Å; F36-F136 AromaticContact CE1-CD2 3.83Å; F36-F136 HydrophobicContact CE1-CD2 3.83Å; F36-F136 HydrophobicContact CE1-CE2 4.28Å; F36-F136 AromaticContact CE2-CD2 3.37Å; F36-F136 HydrophobicContact CE2-CD2 3.37Å; F36-F136 AromaticContact CE2-CE2 3.21Å; F36-F136 HydrophobicContact CE2-CE2 3.21Å; F36-F136 HydrophobicContact CE2-CZ 4.41Å; F36-F136 AromaticContact CG-CD2 3.99Å; F36-F136 HydrophobicContact CG-CD2 3.99Å; F36-F136 AromaticContact CZ-CD2 3.48Å; F36-F136 HydrophobicContact CZ-CD2 3.48Å; F36-F136 VanDerWaalsContact CZ-CD2 3.48Å; F36-F136 AromaticContact CZ-CE2 3.47Å; F36-F136 HydrophobicContact CZ-CE2 3.47Å; F36-F136 VanDerWaalsContact CZ-CE2 3.47Å |
| 37 | K | 83 | Confident | 87.2 | Confident | 146 Ų | 146 | 54.6 Ų | 54.6 | 64% | 0.635 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.6 | -39.3 | 176.8 | -71.4 | 179.2 | 176.2 | 167 | 0 | 112.8 | S32 N33 W34 | S32-K37 WeakPolarHBondContact O-CE 3.35Å; S32-K37 PolarHBondContact O-NZ 3.41Å; N33-K37 PolarHBondContact O-N 3.11Å; W34-K37 PolarHBondContact O-N 3.41Å |
| 38 | E | 82.5 | Confident | 87.1 | Confident | 113 Ų | 113 | 55 Ų | 55 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 3.9 | -178.2 | -64.9 | -173.9 | -170.4 | 0 | 0 | 113.4 | W34 Q40 | W34-E38 WeakPolarHBondContact O-CB 3.24Å; W34-E38 PolarHBondContact O-N 3.05Å; E38-Q40 HydrophobicContact CB-CG 3.95Å; E38-Q40 PolarHBondContact O-N 2.92Å; E38-Q40 PolarHBondContact OE2-NE2 3.03Å |
| 39 | N | 82 | Confident | 87.2 | Confident | 116 Ų | 116 | 52 Ų | 52 | 62% | 0.62 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 25.2 | -172.6 | -55.3 | -42.6 | 0 | 0 | 0 | 113.6 | R35 F36 N41 N135 | R35-N39 PolarHBondContact O-N 2.99Å; F36-N39 PolarHBondContact O-N 3.38Å; N39-N41 PolarHBondContact O-N 2.67Å; N39-N135 PolarHBondContact OD1-ND2 2.79Å |
| 40 | Q | 85.2 | Confident | 87.4 | Confident | 93 Ų | 93 | 54 Ų | 54 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | trans | -85.1 | 61.9 | 173.7 | -62.9 | -161.6 | 30 | 0 | 0 | 110.3 | W34 R35 E38 D42 | W34-Q40 HydrophobicContact CZ3-CB 4.16Å; W34-Q40 HydrophobicContact CZ3-CG 4.37Å; R35-Q40 CarbonylContact O-C 3.58Å; R35-Q40 PolarHBondContact O-N 2.87Å; E38-Q40 HydrophobicContact CB-CG 3.95Å; E38-Q40 PolarHBondContact O-N 2.92Å; E38-Q40 PolarHBondContact OE2-NE2 3.03Å; Q40-D42 VanDerWaalsContact C-N 3.32Å; Q40-D42 PolarHBondContact O-N 3.04Å | ||
| 41 | N | 88.2 | Confident | 87.9 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 6% | 0.064 | 26% | 0.256 | C | S | . | . | trans | -85.7 | -2.8 | -171.4 | -66.1 | -1.9 | 0 | 0 | 0 | 113.5 | R35 N39 N135 R137 L138 S139 | R35-N41 PolarHBondContact O-OD1 2.8Å; N39-N41 PolarHBondContact O-N 2.67Å; N41-N135 PolarHBondContact ND2-ND2 2.79Å; N41-N135 PolarHBondContact ND2-OD1 3.43Å; N41-R137 WeakPolarHBondContact CB-O 3.01Å; N41-R137 WeakPolarHBondContact ND2-CG 3.13Å; N41-R137 PolarHBondContact ND2-O 3.21Å; N41-L138 CarbonylContact O-C 3.55Å; N41-L138 VanDerWaalsContact O-CA 3.31Å; N41-L138 WeakPolarHBondContact O-CA 3.1Å; N41-L138 VanDerWaalsContact O-CD1 3.26Å; N41-L138 WeakPolarHBondContact O-CD1 3.05Å; N41-S139 PolarHBondContact O-N 2.78Å | ||
| 42 | D | 91.1 | Very high | 88.4 | Confident | 62 Ų | 62 | 52.5 Ų | 52.5 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129.6 | -177.2 | -61.5 | -26.8 | 0 | 0 | 0 | 110 | Q40 S139 | Q40-D42 VanDerWaalsContact C-N 3.32Å; Q40-D42 PolarHBondContact O-N 3.04Å; D42-S139 CarbonylContact C-O 3.58Å; D42-S139 WeakPolarHBondContact CA-O 3.37Å; D42-S139 WeakPolarHBondContact OD1-CB 3.24Å |
| 43 | I | 92.6 | Very high | 88.9 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.8 | 170.7 | -68.9 | 175.2 | 0 | 0 | 0 | 108 | I27 L138 S139 V140 K141 | I27-I43 HydrophobicContact CD1-CD1 4.03Å; I27-I43 HydrophobicContact CG1-CD1 3.87Å; I43-L138 HydrophobicContact CD1-CD1 3.7Å; I43-L138 HydrophobicContact CD1-CD2 3.94Å; I43-L138 HydrophobicContact CD1-CG 4.26Å; I43-L138 HydrophobicContact CG1-CD1 3.97Å; I43-S139 PolarHBondContact N-O 2.71Å; I43-V140 HydrophobicContact CB-CG2 4.27Å; I43-V140 CarbonylContact O-C 3.58Å; I43-V140 WeakPolarHBondContact O-CA 3.38Å; I43-K141 PolarHBondContact O-N 3.15Å |
| 44 | Y | 91.9 | Very high | 89 | Confident | 123 Ų | 123 | 51.9 Ų | 51.9 | 48% | 0.482 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.3 | 170.5 | -63.2 | -87.2 | 0 | 0 | 0 | 107.3 | K141 M143 | Y44-K141 WeakPolarHBondContact CA-O 3.4Å; Y44-K141 HydrophobicContact CD1-CB 3.88Å; Y44-K141 HydrophobicContact CD1-CD 4.36Å; Y44-K141 HydrophobicContact CE1-CB 4.04Å; Y44-K141 HydrophobicContact CE1-CD 3.66Å; Y44-K141 HydrophobicContact CE1-CG 4.47Å; Y44-M143 HydrophobicContact CG-CE 4.35Å |
| 45 | A | 91.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | D49 V104 V140 K141 L142 M143 | A45-D49 WeakPolarHBondContact CA-OD2 3.31Å; A45-D49 HydrophobicContact CB-CB 4.24Å; A45-V104 HydrophobicContact CB-CG1 4.36Å; A45-V104 HydrophobicContact CB-CG2 3.89Å; A45-V140 HydrophobicContact CB-CG1 4.1Å; A45-K141 PolarHBondContact N-O 3.49Å; A45-L142 WeakPolarHBondContact O-CA 3.39Å; A45-M143 PolarHBondContact O-N 3.21Å |
| 46 | T | 90.3 | Very high | 88.8 | Confident | 40 Ų | 40 | 45.8 Ų | 45.8 | 25% | 0.245 | 23% | 0.226 | C | C | . | . | trans | -92.6 | 160 | 173 | 39.3 | 0 | 0 | 0 | 0 | 111.7 | G48 D49 M143 | T46-G48 PolarHBondContact O-N 3.44Å; T46-D49 PolarHBondContact N-OD2 3.02Å; T46-D49 WeakPolarHBondContact O-CB 3.23Å; T46-D49 PolarHBondContact O-N 3.16Å; T46-D49 VanDerWaalsContact O-N 3.15Å; T46-D49 PolarHBondContact OG1-OD1 2.77Å; T46-D49 PolarHBondContact OG1-OD2 2.77Å; T46-D49 VanDerWaalsContact OG1-OD2 3.07Å; T46-M143 HydrophobicContact CG2-CB 4.15Å; T46-M143 HydrophobicContact CG2-SD 4.22Å | ||
| 47 | E | 88.7 | Confident | 88.3 | Confident | 71 Ų | 71 | 54 Ų | 54 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 124 | 176.2 | -172.5 | 74.4 | 179.3 | 0 | 0 | 109.7 | S105 R106 L142 | E47-S105 VanDerWaalsContact OE1-CA 3.31Å; E47-S105 WeakPolarHBondContact OE1-CA 3.13Å; E47-R106 PolarHBondContact OE1-N 2.97Å; E47-R106 PolarHBondContact OE2-N 3.04Å; E47-L142 HydrophobicContact CB-CD1 4.33Å |
| 48 | G | 88.5 | Confident | 87.5 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 9% | 0.093 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -9.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T46 V104 | T46-G48 PolarHBondContact O-N 3.44Å; G48-V104 WeakPolarHBondContact CA-O 3.47Å; G48-V104 PolarHBondContact N-O 3.28Å |
| 49 | D | 92.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | trans | -59.8 | 155.6 | 173.8 | -77 | 4 | 0 | 0 | 0 | 111.5 | Q23 H25 A45 T46 V104 | Q23-D49 PolarHBondContact N-OD1 3.45Å; Q23-D49 WeakPolarHBondContact O-CA 3.06Å; Q23-D49 VanDerWaalsContact O-CB 3.31Å; Q23-D49 WeakPolarHBondContact O-CB 3.33Å; H25-D49 IonicContact CD2-OD2 3.66Å; H25-D49 IonicContact CE1-OD2 3.94Å; H25-D49 IonicContact NE2-OD2 2.85Å; H25-D49 PolarHBondContact NE2-OD2 3.26Å; A45-D49 WeakPolarHBondContact CA-OD2 3.31Å; A45-D49 HydrophobicContact CB-CB 4.24Å; T46-D49 PolarHBondContact N-OD2 3.02Å; T46-D49 WeakPolarHBondContact O-CB 3.23Å; T46-D49 PolarHBondContact O-N 3.16Å; T46-D49 VanDerWaalsContact O-N 3.15Å; T46-D49 PolarHBondContact OG1-OD1 2.77Å; T46-D49 PolarHBondContact OG1-OD2 2.77Å; T46-D49 VanDerWaalsContact OG1-OD2 3.07Å; D49-V104 HydrophobicContact CB-CB 4.38Å; D49-V104 HydrophobicContact CB-CG2 4.22Å; D49-V104 PolarHBondContact O-N 3.02Å | ||
| 50 | N | 93.3 | Very high | 85.7 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 23% | 0.225 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.1 | 174.4 | -57.2 | -56.8 | 0 | 0 | 0 | 110.7 | Q23 D24 H25 I52 V101 | Q23-N50 PolarHBondContact O-N 3.15Å; D24-N50 WeakPolarHBondContact OD1-CB 3.2Å; D24-N50 PolarHBondContact OD1-ND2 3.44Å; H25-N50 PolarHBondContact N-O 2.58Å; N50-I52 HydrophobicContact CB-CG1 4.31Å; N50-V101 HydrophobicContact CB-CG1 4.21Å |
| 51 | L | 94.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 117.1 | 165.9 | -54.3 | 175.6 | 0 | 0 | 0 | 108.2 | H25 I27 F53 V101 L102 V104 F116 F124 V140 | H25-L51 HydrophobicContact CB-CD2 3.81Å; I27-L51 HydrophobicContact CD1-CB 4.41Å; L51-F53 HydrophobicContact CB-CE2 3.83Å; L51-F53 HydrophobicContact CB-CZ 4.45Å; L51-V101 WeakPolarHBondContact O-CA 3.42Å; L51-L102 HydrophobicContact CB-CB 4.32Å; L51-L102 HydrophobicContact CD1-CD2 4.19Å; L51-L102 PolarHBondContact N-O 2.92Å; L51-L102 PolarHBondContact O-N 3.44Å; L51-V104 HydrophobicContact CD1-CG2 4.03Å; L51-V104 HydrophobicContact CD2-CG2 4.15Å; L51-V104 HydrophobicContact CG-CG2 3.76Å; L51-F116 HydrophobicContact CD1-CE1 4.25Å; L51-F116 HydrophobicContact CD1-CZ 3.82Å; L51-F124 HydrophobicContact CD1-CE2 4.12Å; L51-F124 HydrophobicContact CD1-CZ 4Å; L51-V140 HydrophobicContact CD1-CB 4.48Å; L51-V140 HydrophobicContact CD1-CG1 4.14Å; L51-V140 HydrophobicContact CD1-CG2 3.98Å; L51-V140 HydrophobicContact CD2-CG1 4.35Å; L51-V140 HydrophobicContact CD2-CG2 4.45Å |
| 52 | I | 93 | Very high | 83.8 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 14% | 0.138 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 105.8 | -176.2 | -54.1 | 176.7 | 0 | 0 | 0 | 108.7 | D24 H25 I26 I27 N50 I54 V101 | D24-I52 HydrophobicContact CB-CD1 4.07Å; H25-I52 PolarHBondContact O-N 3.46Å; I26-I52 HydrophobicContact CG1-CB 4.41Å; I26-I52 HydrophobicContact CG1-CD1 4.34Å; I27-I52 PolarHBondContact N-O 3.13Å; N50-I52 HydrophobicContact CB-CG1 4.31Å; I52-I54 HydrophobicContact CG2-CD1 4.38Å; I52-I54 HydrophobicContact CG2-CG1 4.09Å; I52-V101 HydrophobicContact CG1-CG1 4.29Å; I52-V101 HydrophobicContact CG1-CG2 4.27Å; I52-V101 HydrophobicContact CG2-CG2 4.31Å |
| 53 | F | 91.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.4 | 178.2 | -64 | -91.3 | 0 | 0 | 0 | 110.4 | I27 W29 L51 L65 L89 E99 F100 F124 L138 | I27-F53 HydrophobicContact CB-CD1 4.04Å; I27-F53 HydrophobicContact CB-CE1 4.29Å; I27-F53 HydrophobicContact CD1-CD1 4.27Å; I27-F53 HydrophobicContact CD1-CE1 3.94Å; I27-F53 HydrophobicContact CD1-CE2 4.47Å; I27-F53 HydrophobicContact CD1-CZ 4.05Å; I27-F53 HydrophobicContact CG1-CE1 4.5Å; I27-F53 HydrophobicContact CG2-CD1 4.15Å; I27-F53 HydrophobicContact CG2-CE1 4.31Å; I27-F53 WeakPolarHBondContact O-CA 3.41Å; W29-F53 HydrophobicContact CD2-CD1 4.34Å; W29-F53 AromaticContact CE3-CD1 3.72Å; W29-F53 HydrophobicContact CE3-CD1 3.72Å; W29-F53 AromaticContact CE3-CE1 3.98Å; W29-F53 HydrophobicContact CE3-CE1 3.98Å; W29-F53 HydrophobicContact CZ3-CD1 4.19Å; W29-F53 AromaticContact CZ3-CE1 3.97Å; W29-F53 HydrophobicContact CZ3-CE1 3.97Å; L51-F53 HydrophobicContact CB-CE2 3.83Å; L51-F53 HydrophobicContact CB-CZ 4.45Å; F53-L65 HydrophobicContact CB-CD2 3.88Å; F53-L65 HydrophobicContact CD1-CD1 3.95Å; F53-L65 HydrophobicContact CD1-CD2 3.72Å; F53-L65 HydrophobicContact CD2-CD2 3.73Å; F53-L65 HydrophobicContact CE1-CD1 3.91Å; F53-L65 HydrophobicContact CE1-CD2 4.14Å; F53-L65 HydrophobicContact CE2-CD2 4.14Å; F53-L65 HydrophobicContact CG-CD2 3.49Å; F53-L65 VanDerWaalsContact CG-CD2 3.49Å; F53-L65 HydrophobicContact CZ-CD1 4.49Å; F53-L65 HydrophobicContact CZ-CD2 4.33Å; F53-L89 HydrophobicContact CB-CD2 4.47Å; F53-E99 CarbonylContact O-C 3.56Å; F53-E99 VanDerWaalsContact O-CA 3.22Å; F53-E99 WeakPolarHBondContact O-CA 3.37Å; F53-F100 HydrophobicContact CB-CB 4.42Å; F53-F100 HydrophobicContact CD2-CD1 4.12Å; F53-F100 PolarHBondContact N-O 2.98Å; F53-F100 PolarHBondContact O-N 3.2Å; F53-F124 HydrophobicContact CE1-CB 4.45Å; F53-F124 HydrophobicContact CE1-CD1 4.28Å; F53-F124 HydrophobicContact CE1-CG 4.22Å; F53-F124 HydrophobicContact CE2-CD1 4.23Å; F53-F124 AromaticContact CE2-CE1 4Å; F53-F124 HydrophobicContact CE2-CE1 4Å; F53-F124 HydrophobicContact CE2-CZ 4.35Å; F53-F124 HydrophobicContact CZ-CB 4.49Å; F53-F124 AromaticContact CZ-CD1 3.65Å; F53-F124 HydrophobicContact CZ-CD1 3.65Å; F53-F124 HydrophobicContact CZ-CD2 4.06Å; F53-F124 AromaticContact CZ-CE1 3.77Å; F53-F124 HydrophobicContact CZ-CE1 3.77Å; F53-F124 HydrophobicContact CZ-CE2 4.19Å; F53-F124 AromaticContact CZ-CG 3.79Å; F53-F124 HydrophobicContact CZ-CG 3.79Å; F53-F124 HydrophobicContact CZ-CZ 4.05Å; F53-L138 HydrophobicContact CE1-CD2 3.96Å; F53-L138 HydrophobicContact CZ-CD2 4.2Å |
| 54 | I | 89.1 | Confident | 82.7 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 28% | 0.277 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.4 | -177.7 | -56.3 | 177.4 | 0 | 0 | 0 | 110.7 | I26 I27 L28 W29 I52 T98 | I26-I54 HydrophobicContact CG2-CD1 3.67Å; I26-I54 HydrophobicContact CG2-CG1 4.41Å; I27-I54 PolarHBondContact O-N 3.01Å; L28-I54 HydrophobicContact CD1-CB 4.5Å; L28-I54 HydrophobicContact CD1-CG2 4.43Å; W29-I54 PolarHBondContact N-O 3.27Å; I52-I54 HydrophobicContact CG2-CD1 4.38Å; I52-I54 HydrophobicContact CG2-CG1 4.09Å; I54-T98 CarbonylContact C-O 3.54Å; I54-T98 VanDerWaalsContact CA-O 3.32Å; I54-T98 WeakPolarHBondContact CA-O 3.32Å |
| 55 | C | 87.4 | Confident | 82.6 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -84.3 | 120.7 | 167.6 | -48.9 | 0 | 0 | 0 | 0 | 109.6 | L89 C91 T98 | C55-L89 WeakPolarHBondContact SG-CD2 3.49Å; C55-C91 HydrophobicContact CB-CB 3.67Å; C55-C91 WeakPolarHBondContact CB-SG 3.39Å; C55-C91 VanDerWaalsContact SG-CA 3.57Å; C55-C91 WeakPolarHBondContact SG-CB 3.24Å; C55-C91 CovalentContact SG-SG 2.03Å; C55-C91 PolarHBondContact SG-SG 3.24Å; C55-T98 PolarHBondContact N-O 2.87Å |
| 56 | P | 81.5 | Confident | 82.5 | Confident | 41 Ų | 41 | 46.6 Ų | 46.6 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -63.2 | 151.4 | 167.9 | 26.8 | -36.7 | 0 | 0 | 0 | 111.6 | L28 D30 R59 | L28-P56 HydrophobicContact CD1-CB 4.41Å; L28-P56 HydrophobicContact CD1-CG 4.4Å; D30-P56 HydrophobicContact CB-CG 4.02Å; P56-R59 VanDerWaalsContact CG-NE 3.33Å |
| 57 | K | 75.8 | Confident | 82.6 | Confident | 175 Ų | 175 | 45.6 Ų | 45.6 | 76% | 0.761 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -71.7 | 156.1 | 179.2 | -60.2 | 179.5 | -179.6 | 179.2 | 0 | 110.5 | ||
| 58 | N | 66.3 | Low | 82.6 | Confident | 136 Ų | 136 | 42.2 Ų | 42.2 | 73% | 0.727 | 22% | 0.215 | S | C | * | . | S | Bend | trans | 63 | 55.9 | 173.5 | -59.1 | -19.4 | 0 | 0 | 0 | 115.5 | ||
| 59 | R | 66.3 | Low | 82.5 | Confident | 43 Ų | 43 | 46.1 Ų | 46.1 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | trans | -91.8 | 141.4 | 177.4 | -70.4 | -170.1 | 153.9 | 161.8 | -3.6 | 113.7 | W29 D30 P56 Q63 | W29-R59 PolarHBondContact O-NH1 3.21Å; W29-R59 PolarHBondContact O-NH2 2.83Å; D30-R59 IonicContact OD1-CZ 3.97Å; D30-R59 IonicContact OD1-NE 2.71Å; D30-R59 IonicContact OD1-NH2 3.63Å; D30-R59 PolarHBondContact OD1-NH2 2.82Å; D30-R59 IonicContact OD2-NH2 2.66Å; P56-R59 VanDerWaalsContact CG-NE 3.33Å; R59-Q63 VanDerWaalsContact NH1-CD 3.32Å | ||
| 60 | T | 60 | Low | 82.2 | Confident | 116 Ų | 116 | 47 Ų | 47 | 71% | 0.712 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -83.6 | -21.5 | 172 | 49.1 | 0 | 0 | 0 | 0 | 113 | ||
| 61 | F | 65.8 | Low | 81.9 | Confident | 142 Ų | 142 | 47.7 Ų | 47.7 | 62% | 0.623 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -129.5 | 143.6 | -175.3 | -56 | -70.9 | 0 | 0 | 0 | 112.3 | Q63 I130 | F61-Q63 PolarHBondContact O-N 2.99Å; F61-I130 HydrophobicContact CB-CD1 4.36Å |
| 62 | S | 68.5 | Low | 81.4 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | trans | -67.2 | 119.2 | 174.3 | 177.9 | 0 | 0 | 0 | 0 | 109.9 | N64 I130 | S62-N64 VanDerWaalsContact OG-CG 3.26Å; S62-N64 PolarHBondContact OG-ND2 2.82Å; S62-N64 PolarHBondContact OG-OD1 2.88Å; S62-I130 VanDerWaalsContact O-CD1 3.24Å; S62-I130 WeakPolarHBondContact O-CD1 3.44Å | ||
| 63 | Q | 76.9 | Confident | 80.8 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | trans | -114.6 | 58.8 | 178.3 | -66.7 | -168.8 | 20.2 | 0 | 0 | 110.3 | W29 D30 R59 F61 L65 C91 I130 F136 | W29-Q63 VanDerWaalsContact CD1-O 3.28Å; W29-Q63 PolarHBondContact NE1-O 2.91Å; W29-Q63 PolarHBondContact O-OE1 3.43Å; D30-Q63 PolarHBondContact OD1-NE2 3.29Å; R59-Q63 VanDerWaalsContact NH1-CD 3.32Å; F61-Q63 PolarHBondContact O-N 2.99Å; Q63-L65 PolarHBondContact O-N 2.76Å; Q63-C91 HydrophobicContact CB-CB 4.12Å; Q63-C91 WeakPolarHBondContact O-CB 3.38Å; Q63-C91 PolarHBondContact O-SG 2.77Å; Q63-I130 HydrophobicContact CG-CD1 3.81Å; Q63-F136 HydrophobicContact CB-CE1 4.16Å; Q63-F136 HydrophobicContact CG-CE1 4.19Å | ||
| 64 | N | 84.4 | Confident | 80.3 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 6% | 0.059 | 27% | 0.267 | C | S | . | . | trans | -60.3 | 135 | 179.6 | -64.5 | -22.5 | 0 | 0 | 0 | 111.1 | S62 Y66 L89 D90 | S62-N64 VanDerWaalsContact OG-CG 3.26Å; S62-N64 PolarHBondContact OG-ND2 2.82Å; S62-N64 PolarHBondContact OG-OD1 2.88Å; N64-Y66 HydrophobicContact CB-CD2 4.28Å; N64-Y66 HydrophobicContact CB-CE2 3.4Å; N64-Y66 WeakPolarHBondContact CB-OH 3.33Å; N64-Y66 PolarHBondContact ND2-OH 3.2Å; N64-Y66 WeakPolarHBondContact O-CD2 3.48Å; N64-L89 CarbonylContact C-O 3.53Å; N64-L89 VanDerWaalsContact CA-O 3.28Å; N64-L89 WeakPolarHBondContact CA-O 3.23Å; N64-D90 WeakPolarHBondContact OD1-CA 3.35Å; N64-D90 PolarHBondContact OD1-OD1 3.23Å | ||
| 65 | L | 88.2 | Confident | 80 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125 | 172.9 | 177.9 | 66.1 | 0 | 0 | 0 | 108.7 | W29 F53 Q63 L88 L89 F100 F124 | W29-L65 HydrophobicContact CD2-CD1 3.84Å; W29-L65 HydrophobicContact CE3-CD1 3.95Å; W29-L65 HydrophobicContact CH2-CD1 3.45Å; W29-L65 VanDerWaalsContact CH2-CD1 3.45Å; W29-L65 HydrophobicContact CZ2-CD1 3.32Å; W29-L65 HydrophobicContact CZ3-CD1 3.76Å; F53-L65 HydrophobicContact CB-CD2 3.88Å; F53-L65 HydrophobicContact CD1-CD1 3.95Å; F53-L65 HydrophobicContact CD1-CD2 3.72Å; F53-L65 HydrophobicContact CD2-CD2 3.73Å; F53-L65 HydrophobicContact CE1-CD1 3.91Å; F53-L65 HydrophobicContact CE1-CD2 4.14Å; F53-L65 HydrophobicContact CE2-CD2 4.14Å; F53-L65 HydrophobicContact CG-CD2 3.49Å; F53-L65 VanDerWaalsContact CG-CD2 3.49Å; F53-L65 HydrophobicContact CZ-CD1 4.49Å; F53-L65 HydrophobicContact CZ-CD2 4.33Å; Q63-L65 PolarHBondContact O-N 2.76Å; L65-L88 HydrophobicContact CB-CB 4.5Å; L65-L88 HydrophobicContact CD2-CB 3.99Å; L65-L88 HydrophobicContact CD2-CD1 4.14Å; L65-L88 HydrophobicContact CG-CB 4.14Å; L65-L88 HydrophobicContact CG-CD1 4.3Å; L65-L88 PolarHBondContact O-N 3.31Å; L65-L89 HydrophobicContact CB-CB 3.76Å; L65-L89 HydrophobicContact CD2-CB 4.2Å; L65-L89 PolarHBondContact N-O 2.85Å; L65-L89 PolarHBondContact O-N 3.03Å; L65-F100 HydrophobicContact CD2-CD1 4.26Å; L65-F124 HydrophobicContact CD1-CB 3.87Å; L65-F124 HydrophobicContact CD1-CD1 4Å; L65-F124 HydrophobicContact CD1-CG 4.36Å; L65-F124 HydrophobicContact CG-CD1 4.44Å |
| 66 | Y | 90 | Very high | 79.6 | Confident | 23 Ų | 23 | 63 Ų | 63 | 9% | 0.09 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151.4 | 172.3 | -56.5 | -88.6 | 0 | 0 | 0 | 110.3 | N64 K79 V85 I86 K87 F124 V125 Q127 | N64-Y66 HydrophobicContact CB-CD2 4.28Å; N64-Y66 HydrophobicContact CB-CE2 3.4Å; N64-Y66 WeakPolarHBondContact CB-OH 3.33Å; N64-Y66 PolarHBondContact ND2-OH 3.2Å; N64-Y66 WeakPolarHBondContact O-CD2 3.48Å; Y66-K79 VanDerWaalsContact CE2-NZ 3.29Å; Y66-K79 PolarHBondContact OH-NZ 2.86Å; Y66-V85 VanDerWaalsContact CB-CG1 3.46Å; Y66-V85 HydrophobicContact CD1-CG1 3.87Å; Y66-V85 HydrophobicContact CG-CG1 3.87Å; Y66-I86 CarbonylContact C-O 3.51Å; Y66-I86 VanDerWaalsContact CA-O 3.24Å; Y66-I86 WeakPolarHBondContact CA-O 3.48Å; Y66-K87 HydrophobicContact CD1-CB 3.77Å; Y66-K87 HydrophobicContact CD1-CG 4.19Å; Y66-K87 HydrophobicContact CE1-CB 3.62Å; Y66-K87 HydrophobicContact CE1-CD 4.15Å; Y66-K87 HydrophobicContact CE1-CG 3.79Å; Y66-F124 CarbonylContact O-C 3.5Å; Y66-F124 VanDerWaalsContact O-CA 3.23Å; Y66-F124 WeakPolarHBondContact O-CA 3.19Å; Y66-V125 WeakPolarHBondContact CD2-O 3.45Å; Y66-V125 PolarHBondContact N-O 3.15Å; Y66-V125 PolarHBondContact O-N 2.9Å; Y66-Q127 HydrophobicContact CE2-CB 4.46Å |
| 67 | W | 91.9 | Very high | 79.7 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 155 | 169.8 | 81.2 | -88.3 | 0 | 0 | 0 | 112.3 | V85 I86 L88 S112 P114 V122 Y123 F124 | W67-V85 WeakPolarHBondContact O-CA 3.5Å; W67-I86 HydrophobicContact CZ2-CD1 3.66Å; W67-I86 HydrophobicContact CZ2-CG1 4.48Å; W67-I86 PolarHBondContact N-O 2.77Å; W67-I86 PolarHBondContact O-N 2.9Å; W67-L88 HydrophobicContact CB-CD1 3.83Å; W67-L88 HydrophobicContact CB-CG 4.43Å; W67-L88 VanDerWaalsContact CD1-CD2 3.42Å; W67-L88 HydrophobicContact CG-CD1 4.06Å; W67-L88 HydrophobicContact CG-CD2 4.48Å; W67-L88 HydrophobicContact CG-CG 4.33Å; W67-S112 VanDerWaalsContact CE2-O 3.29Å; W67-S112 VanDerWaalsContact CZ2-O 3.25Å; W67-S112 WeakPolarHBondContact CZ2-O 3.4Å; W67-S112 PolarHBondContact NE1-O 2.03Å; W67-P114 HydrophobicContact CD2-CB 3.95Å; W67-P114 HydrophobicContact CD2-CG 4.23Å; W67-P114 HydrophobicContact CE3-CB 3.69Å; W67-P114 HydrophobicContact CE3-CG 4.42Å; W67-P114 HydrophobicContact CG-CG 4.47Å; W67-P114 HydrophobicContact CH2-CB 4.18Å; W67-P114 HydrophobicContact CZ2-CB 4.39Å; W67-P114 HydrophobicContact CZ3-CB 3.83Å; W67-V122 HydrophobicContact CE3-CG1 4.36Å; W67-Y123 CarbonylContact C-O 3.47Å; W67-Y123 VanDerWaalsContact CA-O 3.24Å; W67-Y123 WeakPolarHBondContact CA-O 3.46Å; W67-F124 HydrophobicContact CB-CD1 3.95Å; W67-F124 HydrophobicContact CB-CE1 3.98Å |
| 68 | T | 89.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 154.8 | 175.1 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | D70 V73 K84 Y123 | T68-D70 PolarHBondContact OG1-N 3.24Å; T68-D70 VanDerWaalsContact OG1-N 3.16Å; T68-V73 HydrophobicContact CG2-CB 3.78Å; T68-V73 HydrophobicContact CG2-CG1 4.06Å; T68-V73 HydrophobicContact CG2-CG2 4.1Å; T68-K84 PolarHBondContact OG1-O 3.33Å; T68-Y123 PolarHBondContact N-O 3.17Å; T68-Y123 WeakPolarHBondContact O-CB 3.49Å; T68-Y123 PolarHBondContact O-N 2.96Å |
| 69 | D | 87 | Confident | 79.2 | Confident | 91 Ų | 91 | 52.3 Ų | 52.3 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -90.8 | -7.4 | 168.6 | 54.6 | -6.3 | 0 | 0 | 0 | 112.2 | P71 | D69-P71 WeakPolarHBondContact O-CD 3.28Š|
| 70 | D | 86.3 | Confident | 78.5 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 10% | 0.096 | 28% | 0.281 | C | S | . | . | trans | -88.6 | 115.6 | -176.1 | -168.1 | -33.6 | 0 | 0 | 0 | 112.5 | T68 R72 V73 L83 | T68-D70 PolarHBondContact OG1-N 3.24Å; T68-D70 VanDerWaalsContact OG1-N 3.16Å; D70-R72 PolarHBondContact O-N 3.17Å; D70-R72 VanDerWaalsContact O-N 3.16Å; D70-R72 WeakPolarHBondContact OD1-CA 3.32Å; D70-R72 WeakPolarHBondContact OD1-CB 3.13Å; D70-R72 VanDerWaalsContact OD1-CG 3.23Å; D70-R72 WeakPolarHBondContact OD1-CG 3.07Å; D70-R72 IonicContact OD1-CZ 3.21Å; D70-R72 PolarHBondContact OD1-N 3.25Å; D70-R72 IonicContact OD1-NE 2.97Å; D70-R72 PolarHBondContact OD1-NE 3.11Å; D70-R72 IonicContact OD2-CZ 3.04Å; D70-R72 IonicContact OD2-NE 3.83Å; D70-R72 PolarHBondContact OD2-NE 2.96Å; D70-R72 IonicContact OD2-NH2 3.99Å; D70-R72 PolarHBondContact OD2-NH2 3.41Å; D70-V73 HydrophobicContact CB-CG2 4.04Å; D70-V73 PolarHBondContact O-N 3.33Å; D70-L83 WeakPolarHBondContact OD2-CD1 3.24Å; D70-L83 WeakPolarHBondContact OD2-CD2 3.49Å | ||
| 71 | P | 85.4 | Confident | 78.3 | Confident | 57 Ų | 57 | 52.9 Ų | 52.9 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -25 | 179.1 | 24.4 | -33.6 | 0 | 0 | 0 | 113.6 | D69 V73 Q74 L75 Y123 | D69-P71 WeakPolarHBondContact O-CD 3.28Å; P71-V73 VanDerWaalsContact C-N 3.32Å; P71-V73 PolarHBondContact O-N 3.28Å; P71-Q74 PolarHBondContact O-N 2.66Å; P71-L75 WeakPolarHBondContact O-CB 3.1Å; P71-L75 WeakPolarHBondContact O-CG 3.12Å; P71-L75 PolarHBondContact O-N 3.4Å; P71-Y123 VanDerWaalsContact CA-CE2 3.44Å; P71-Y123 HydrophobicContact CB-CE2 3.8Å |
| 72 | R | 83.5 | Confident | 77.8 | Confident | 131 Ų | 131 | 52.6 Ų | 52.6 | 49% | 0.494 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.9 | -34.2 | -177.7 | -58.4 | 174.2 | -69.4 | -174.2 | -2.5 | 111.5 | D70 L75 K76 | D70-R72 PolarHBondContact O-N 3.17Å; D70-R72 VanDerWaalsContact O-N 3.16Å; D70-R72 WeakPolarHBondContact OD1-CA 3.32Å; D70-R72 WeakPolarHBondContact OD1-CB 3.13Å; D70-R72 VanDerWaalsContact OD1-CG 3.23Å; D70-R72 WeakPolarHBondContact OD1-CG 3.07Å; D70-R72 IonicContact OD1-CZ 3.21Å; D70-R72 PolarHBondContact OD1-N 3.25Å; D70-R72 IonicContact OD1-NE 2.97Å; D70-R72 PolarHBondContact OD1-NE 3.11Å; D70-R72 IonicContact OD2-CZ 3.04Å; D70-R72 IonicContact OD2-NE 3.83Å; D70-R72 PolarHBondContact OD2-NE 2.96Å; D70-R72 IonicContact OD2-NH2 3.99Å; D70-R72 PolarHBondContact OD2-NH2 3.41Å; R72-L75 PolarHBondContact O-N 3.19Å; R72-K76 WeakPolarHBondContact O-CB 3.48Å; R72-K76 PolarHBondContact O-N 2.86Å |
| 73 | V | 82.2 | Confident | 77.5 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | T68 D70 P71 L75 C77 L83 V85 V125 | T68-V73 HydrophobicContact CG2-CB 3.78Å; T68-V73 HydrophobicContact CG2-CG1 4.06Å; T68-V73 HydrophobicContact CG2-CG2 4.1Å; D70-V73 HydrophobicContact CB-CG2 4.04Å; D70-V73 PolarHBondContact O-N 3.33Å; P71-V73 VanDerWaalsContact C-N 3.32Å; P71-V73 PolarHBondContact O-N 3.28Å; V73-L75 PolarHBondContact O-N 3.16Å; V73-C77 WeakPolarHBondContact O-CA 3.35Å; V73-C77 PolarHBondContact O-N 2.66Å; V73-L83 HydrophobicContact CG2-CB 3.91Å; V73-L83 HydrophobicContact CG2-CD1 3.38Å; V73-L83 HydrophobicContact CG2-CG 4.25Å; V73-V85 HydrophobicContact CG1-CG2 3.99Å; V73-V85 HydrophobicContact CG2-CG2 4.05Å; V73-V125 HydrophobicContact CG1-CG2 3.99Å |
| 74 | Q | 81.5 | Confident | 77.2 | Confident | 22 Ų | 22 | 58.8 Ų | 58.8 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 178 | -159.7 | -150.6 | 13.4 | 0 | 0 | 111.4 | P71 Y123 V125 R137 | P71-Q74 PolarHBondContact O-N 2.66Å; Q74-Y123 HydrophobicContact CB-CD1 3.92Å; Q74-Y123 HydrophobicContact CB-CE1 4.47Å; Q74-Y123 HydrophobicContact CB-CG 3.89Å; Q74-Y123 VanDerWaalsContact CD-CE1 3.5Å; Q74-Y123 HydrophobicContact CG-CD1 3.71Å; Q74-Y123 HydrophobicContact CG-CE1 4.4Å; Q74-Y123 HydrophobicContact CG-CG 4.07Å; Q74-V125 HydrophobicContact CB-CG1 4.34Å; Q74-V125 HydrophobicContact CG-CG1 4.24Å; Q74-R137 HydrophobicContact CG-CB 4.08Å; Q74-R137 HydrophobicContact CG-CG 4.31Å; Q74-R137 WeakPolarHBondContact O-CD 3.31Å; Q74-R137 PolarHBondContact O-NH1 2.83Å |
| 75 | L | 81.1 | Confident | 76.9 | Confident | 119 Ų | 119 | 60.2 Ų | 60.2 | 62% | 0.623 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70.6 | -45.8 | -177.5 | -73.2 | 170.5 | 0 | 0 | 0 | 113.2 | P71 R72 V73 R137 | P71-L75 WeakPolarHBondContact O-CB 3.1Å; P71-L75 WeakPolarHBondContact O-CG 3.12Å; P71-L75 PolarHBondContact O-N 3.4Å; R72-L75 PolarHBondContact O-N 3.19Å; V73-L75 PolarHBondContact O-N 3.16Å; L75-R137 PolarHBondContact O-NH1 2.8Å |
| 76 | K | 80.6 | Confident | 76.7 | Confident | 131 Ų | 131 | 62 Ų | 62 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -89.9 | -11.3 | -175.9 | -63.6 | -176.4 | 177.7 | -177.4 | 0 | 113.4 | R72 N78 Q132 | R72-K76 WeakPolarHBondContact O-CB 3.48Å; R72-K76 PolarHBondContact O-N 2.86Å; K76-N78 HydrophobicContact CB-CB 4.07Å; K76-N78 PolarHBondContact O-N 3.17Å; K76-N78 VanDerWaalsContact O-N 3.1Å; K76-Q132 PolarHBondContact O-NE2 3.37Å; K76-Q132 VanDerWaalsContact O-NE2 3.17Å |
| 77 | C | 82 | Confident | 76.5 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | trans | 51.3 | 29.4 | -171.4 | -76.1 | 0 | 0 | 0 | 0 | 112.4 | V73 S128 C131 Q132 | V73-C77 WeakPolarHBondContact O-CA 3.35Å; V73-C77 PolarHBondContact O-N 2.66Å; C77-S128 WeakPolarHBondContact O-CA 3.2Å; C77-S128 WeakPolarHBondContact O-CB 3.31Å; C77-C131 HydrophobicContact CB-CB 3.5Å; C77-C131 VanDerWaalsContact CB-CB 3.5Å; C77-C131 WeakPolarHBondContact CB-SG 3.14Å; C77-C131 WeakPolarHBondContact SG-CB 3.46Å; C77-C131 PolarHBondContact SG-O 3.41Å; C77-C131 VanDerWaalsContact SG-O 3.36Å; C77-C131 CovalentContact SG-SG 2.04Å; C77-C131 PolarHBondContact SG-SG 2.82Å; C77-Q132 HydrophobicContact CB-CB 4.46Å; C77-Q132 HydrophobicContact CB-CG 3.43Å; C77-Q132 VanDerWaalsContact CB-CG 3.43Å | ||
| 78 | N | 69.6 | Low | 76.2 | Confident | 47 Ų | 47 | 65.8 Ų | 65.8 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | trans | -112 | 128.5 | -170.5 | -163.7 | -2.7 | 0 | 0 | 0 | 110.8 | K76 T80 | K76-N78 HydrophobicContact CB-CB 4.07Å; K76-N78 PolarHBondContact O-N 3.17Å; K76-N78 VanDerWaalsContact O-N 3.1Å; N78-T80 PolarHBondContact ND2-OG1 2.9Å; N78-T80 WeakPolarHBondContact OD1-CB 3.48Å; N78-T80 WeakPolarHBondContact OD1-CG2 3.42Å; N78-T80 PolarHBondContact OD1-N 2.9Å; N78-T80 PolarHBondContact OD1-OG1 3.05Å | ||
| 79 | K | 61.8 | Low | 76 | Confident | 74 Ų | 74 | 66.2 Ų | 66.2 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | trans | -82.1 | -14.4 | 172.9 | -65.9 | -176.6 | 176.2 | 179.9 | 0 | 112.8 | Y66 L81 | Y66-K79 VanDerWaalsContact CE2-NZ 3.29Å; Y66-K79 PolarHBondContact OH-NZ 2.86Å; K79-L81 PolarHBondContact O-N 2.9Å; K79-L81 VanDerWaalsContact O-N 3.17Å; K79-L81 VanDerWaalsContact O-O 3.08Å | ||
| 80 | T | 53 | Low | 75.7 | Confident | 111 Ų | 111 | 64.9 Ų | 64.9 | 68% | 0.681 | 33% | 0.331 | S | S | * | . | trans | -81.7 | 9.9 | -163.9 | 69.5 | 0 | 0 | 0 | 0 | 115.1 | N78 | N78-T80 PolarHBondContact ND2-OG1 2.9Å; N78-T80 WeakPolarHBondContact OD1-CB 3.48Å; N78-T80 WeakPolarHBondContact OD1-CG2 3.42Å; N78-T80 PolarHBondContact OD1-N 2.9Å; N78-T80 PolarHBondContact OD1-OG1 3.05Å | ||
| 81 | L | 54.8 | Low | 75.4 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 31% | 0.314 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -94.7 | 153.8 | 163.8 | -79.7 | 90.5 | 0 | 0 | 0 | 108 | K79 L83 | K79-L81 PolarHBondContact O-N 2.9Å; K79-L81 VanDerWaalsContact O-N 3.17Å; K79-L81 VanDerWaalsContact O-O 3.08Å; L81-L83 HydrophobicContact CB-CD1 3.51Å; L81-L83 HydrophobicContact CB-CD2 4.32Å; L81-L83 HydrophobicContact CB-CG 3.49Å; L81-L83 VanDerWaalsContact CB-CG 3.49Å; L81-L83 HydrophobicContact CD2-CD1 4.24Å; L81-L83 HydrophobicContact CG-CD1 4.35Å; L81-L83 PolarHBondContact O-N 3.07Å |
| 82 | P | 55.7 | Low | 74.9 | Confident | 137 Ų | 137 | 67.9 Ų | 67.9 | 89% | 0.89 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -69.2 | 57.3 | 175.7 | 31.7 | -37.5 | 0 | 0 | 0 | 111 | ||
| 83 | L | 63 | Low | 74 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 18% | 0.183 | 33% | 0.331 | C | S | . | . | trans | -104 | 136.2 | -174 | -60.4 | 178 | 0 | 0 | 0 | 108 | D70 V73 L81 V85 | D70-L83 WeakPolarHBondContact OD2-CD1 3.24Å; D70-L83 WeakPolarHBondContact OD2-CD2 3.49Å; V73-L83 HydrophobicContact CG2-CB 3.91Å; V73-L83 HydrophobicContact CG2-CD1 3.38Å; V73-L83 HydrophobicContact CG2-CG 4.25Å; L81-L83 HydrophobicContact CB-CD1 3.51Å; L81-L83 HydrophobicContact CB-CD2 4.32Å; L81-L83 HydrophobicContact CB-CG 3.49Å; L81-L83 VanDerWaalsContact CB-CG 3.49Å; L81-L83 HydrophobicContact CD2-CD1 4.24Å; L81-L83 HydrophobicContact CG-CD1 4.35Å; L81-L83 PolarHBondContact O-N 3.07Å; L83-V85 VanDerWaalsContact C-N 3.34Å; L83-V85 HydrophobicContact CB-CG2 4.39Å; L83-V85 PolarHBondContact O-N 2.85Å | ||
| 84 | K | 69.8 | Low | 72.9 | Confident | 140 Ų | 140 | 69.8 Ų | 69.8 | 61% | 0.609 | 37% | 0.366 | S | S | * | . | trans | -67.3 | 94.7 | 177.8 | -170.9 | 177.7 | 175.9 | -174.3 | 0 | 108.4 | T68 I86 | T68-K84 PolarHBondContact OG1-O 3.33Å; K84-I86 HydrophobicContact CG-CD1 4.39Å; K84-I86 HydrophobicContact CG-CG1 4.36Å | ||
| 85 | V | 77.9 | Confident | 71.9 | Confident | 40 Ų | 40 | 78.9 Ų | 78.9 | 24% | 0.242 | 41% | 0.405 | C | S | . | . | trans | -115 | 114.3 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | Y66 W67 V73 L83 | Y66-V85 VanDerWaalsContact CB-CG1 3.46Å; Y66-V85 HydrophobicContact CD1-CG1 3.87Å; Y66-V85 HydrophobicContact CG-CG1 3.87Å; W67-V85 WeakPolarHBondContact O-CA 3.5Å; V73-V85 HydrophobicContact CG1-CG2 3.99Å; V73-V85 HydrophobicContact CG2-CG2 4.05Å; L83-V85 VanDerWaalsContact C-N 3.34Å; L83-V85 HydrophobicContact CB-CG2 4.39Å; L83-V85 PolarHBondContact O-N 2.85Å | ||
| 86 | I | 84.3 | Confident | 71 | Confident | 39 Ų | 39 | 74.6 Ų | 74.6 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.1 | -175.7 | -64 | 178.1 | 0 | 0 | 0 | 109.2 | Y66 W67 K84 | Y66-I86 CarbonylContact C-O 3.51Å; Y66-I86 VanDerWaalsContact CA-O 3.24Å; Y66-I86 WeakPolarHBondContact CA-O 3.48Å; W67-I86 HydrophobicContact CZ2-CD1 3.66Å; W67-I86 HydrophobicContact CZ2-CG1 4.48Å; W67-I86 PolarHBondContact N-O 2.77Å; W67-I86 PolarHBondContact O-N 2.9Å; K84-I86 HydrophobicContact CG-CD1 4.39Å; K84-I86 HydrophobicContact CG-CG1 4.36Å |
| 87 | K | 86.2 | Confident | 70.2 | Confident | 94 Ų | 94 | 73 Ų | 73 | 41% | 0.409 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 126.5 | 176.1 | -172.1 | 176.5 | 171.7 | 179.2 | 0 | 109.8 | Y66 D90 | Y66-K87 HydrophobicContact CD1-CB 3.77Å; Y66-K87 HydrophobicContact CD1-CG 4.19Å; Y66-K87 HydrophobicContact CE1-CB 3.62Å; Y66-K87 HydrophobicContact CE1-CD 4.15Å; Y66-K87 HydrophobicContact CE1-CG 3.79Å; K87-D90 VanDerWaalsContact NZ-CG 3.25Å; K87-D90 IonicContact NZ-OD2 2.67Å; K87-D90 PolarHBondContact NZ-OD2 2.78Å |
| 88 | L | 85.9 | Confident | 70 | Confident | 27 Ų | 27 | 75.3 Ų | 75.3 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -45.9 | 177.1 | -65.4 | 175.8 | 0 | 0 | 0 | 112.3 | L65 W67 F100 L113 F124 | L65-L88 HydrophobicContact CB-CB 4.5Å; L65-L88 HydrophobicContact CD2-CB 3.99Å; L65-L88 HydrophobicContact CD2-CD1 4.14Å; L65-L88 HydrophobicContact CG-CB 4.14Å; L65-L88 HydrophobicContact CG-CD1 4.3Å; L65-L88 PolarHBondContact O-N 3.31Å; W67-L88 HydrophobicContact CB-CD1 3.83Å; W67-L88 HydrophobicContact CB-CG 4.43Å; W67-L88 VanDerWaalsContact CD1-CD2 3.42Å; W67-L88 HydrophobicContact CG-CD1 4.06Å; W67-L88 HydrophobicContact CG-CD2 4.48Å; W67-L88 HydrophobicContact CG-CG 4.33Å; L88-F100 HydrophobicContact CB-CD1 4.19Å; L88-F100 HydrophobicContact CB-CE1 3.92Å; L88-F100 HydrophobicContact CB-CZ 4.18Å; L88-F100 HydrophobicContact CD1-CD1 4.45Å; L88-F100 HydrophobicContact CD1-CE1 3.83Å; L88-F100 HydrophobicContact CD1-CZ 4.49Å; L88-F100 HydrophobicContact CD2-CE1 4.06Å; L88-F100 HydrophobicContact CD2-CZ 3.87Å; L88-F100 HydrophobicContact CG-CE1 4.14Å; L88-F100 HydrophobicContact CG-CZ 4.4Å; L88-L113 HydrophobicContact CD2-CD2 3.71Å; L88-F124 HydrophobicContact CD1-CD1 3.94Å; L88-F124 HydrophobicContact CD1-CE1 3.64Å |
| 89 | L | 83.6 | Confident | 70.8 | Confident | 8 Ų | 8 | 78.5 Ų | 78.5 | 4% | 0.042 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.8 | -173.7 | -168 | 57.3 | 0 | 0 | 0 | 110.6 | F53 C55 N64 L65 V97 F100 | F53-L89 HydrophobicContact CB-CD2 4.47Å; C55-L89 WeakPolarHBondContact SG-CD2 3.49Å; N64-L89 CarbonylContact C-O 3.53Å; N64-L89 VanDerWaalsContact CA-O 3.28Å; N64-L89 WeakPolarHBondContact CA-O 3.23Å; L65-L89 HydrophobicContact CB-CB 3.76Å; L65-L89 HydrophobicContact CD2-CB 4.2Å; L65-L89 PolarHBondContact N-O 2.85Å; L65-L89 PolarHBondContact O-N 3.03Å; L89-V97 HydrophobicContact CD1-CB 4.14Å; L89-V97 HydrophobicContact CD1-CG1 4.1Å; L89-V97 WeakPolarHBondContact CD1-O 3.46Å; L89-F100 HydrophobicContact CB-CB 4.27Å; L89-F100 HydrophobicContact CD1-CB 4.07Å; L89-F100 HydrophobicContact CD2-CB 3.84Å; L89-F100 HydrophobicContact CG-CB 4.28Å |
| 90 | D | 82.1 | Confident | 72.1 | Confident | 64 Ų | 64 | 77 Ų | 77 | 34% | 0.342 | 41% | 0.407 | S | S | . | . | trans | -105.7 | 105.6 | 169.4 | -165 | -24.8 | 0 | 0 | 0 | 109.5 | N64 K87 F92 S96 | N64-D90 WeakPolarHBondContact OD1-CA 3.35Å; N64-D90 PolarHBondContact OD1-OD1 3.23Å; K87-D90 VanDerWaalsContact NZ-CG 3.25Å; K87-D90 IonicContact NZ-OD2 2.67Å; K87-D90 PolarHBondContact NZ-OD2 2.78Å; D90-F92 PolarHBondContact O-N 3.15Å; D90-F92 WeakPolarHBondContact OD1-CB 3.31Å; D90-F92 PolarHBondContact OD1-N 2.84Å; D90-S96 WeakPolarHBondContact O-CB 3.41Å | ||
| 91 | C | 79.3 | Confident | 73.9 | Confident | 4 Ų | 4 | 75.5 Ų | 75.5 | 3% | 0.027 | 40% | 0.398 | C | S | . | . | trans | -86.6 | 23.6 | 178 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | C55 Q63 | C55-C91 HydrophobicContact CB-CB 3.67Å; C55-C91 WeakPolarHBondContact CB-SG 3.39Å; C55-C91 VanDerWaalsContact SG-CA 3.57Å; C55-C91 WeakPolarHBondContact SG-CB 3.24Å; C55-C91 CovalentContact SG-SG 2.03Å; C55-C91 PolarHBondContact SG-SG 3.24Å; Q63-C91 HydrophobicContact CB-CB 4.12Å; Q63-C91 WeakPolarHBondContact O-CB 3.38Å; Q63-C91 PolarHBondContact O-SG 2.77Å | ||
| 92 | F | 75 | Confident | 75.7 | Confident | 133 Ų | 133 | 72.9 Ų | 72.9 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | trans | -95.5 | 126 | -178.4 | -172.3 | -104.7 | 0 | 0 | 0 | 113.1 | D90 S96 | D90-F92 PolarHBondContact O-N 3.15Å; D90-F92 WeakPolarHBondContact OD1-CB 3.31Å; D90-F92 PolarHBondContact OD1-N 2.84Å; F92-S96 WeakPolarHBondContact O-CB 3.38Å | ||
| 93 | G | 63.9 | Low | 77.5 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 85.2 | 162.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K95 S96 | G93-K95 PolarHBondContact O-N 3.41Å; G93-S96 PolarHBondContact O-N 2.85Å; G93-S96 PolarHBondContact O-OG 3.19Å |
| 94 | N | 60.5 | Low | 78.9 | Confident | 139 Ų | 139 | 70.7 Ų | 70.7 | 74% | 0.743 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -8 | -174.4 | -67.5 | -7.8 | 0 | 0 | 0 | 114.5 | ||
| 95 | K | 60 | Low | 79.9 | Confident | 212 Ų | 212 | 65.2 Ų | 65.2 | 92% | 0.922 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 7.3 | 178.5 | -64 | -174.1 | 178.9 | -178.2 | 0 | 112.9 | G93 | G93-K95 PolarHBondContact O-N 3.41Š|
| 96 | S | 61.2 | Low | 80.4 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 20% | 0.203 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -71.9 | 147.7 | 178 | 48.9 | 0 | 0 | 0 | 0 | 110.9 | D90 F92 G93 T98 | D90-S96 WeakPolarHBondContact O-CB 3.41Å; F92-S96 WeakPolarHBondContact O-CB 3.38Å; G93-S96 PolarHBondContact O-N 2.85Å; G93-S96 PolarHBondContact O-OG 3.19Å; S96-T98 PolarHBondContact O-N 2.94Å; S96-T98 VanDerWaalsContact O-N 3.16Å |
| 97 | V | 64.8 | Low | 80.6 | Confident | 97 Ų | 97 | 69.9 Ų | 69.9 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | trans | -58 | 117.7 | 165.8 | 175.6 | 0 | 0 | 0 | 0 | 107.2 | L89 E99 | L89-V97 HydrophobicContact CD1-CB 4.14Å; L89-V97 HydrophobicContact CD1-CG1 4.1Å; L89-V97 WeakPolarHBondContact CD1-O 3.46Å; V97-E99 VanDerWaalsContact C-N 3.28Å; V97-E99 WeakPolarHBondContact CG1-O 3.01Å | ||
| 98 | T | 78.4 | Confident | 80.6 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | trans | -82.3 | -9.9 | -175.9 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | I54 C55 S96 | I54-T98 CarbonylContact C-O 3.54Å; I54-T98 VanDerWaalsContact CA-O 3.32Å; I54-T98 WeakPolarHBondContact CA-O 3.32Å; C55-T98 PolarHBondContact N-O 2.87Å; S96-T98 PolarHBondContact O-N 2.94Å; S96-T98 VanDerWaalsContact O-N 3.16Å | ||
| 99 | E | 85.7 | Confident | 80.4 | Confident | 113 Ų | 113 | 74.7 Ų | 74.7 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 141.4 | -175.4 | 63.9 | -175.4 | -161.1 | 0 | 0 | 113.3 | F53 V97 | F53-E99 CarbonylContact O-C 3.56Å; F53-E99 VanDerWaalsContact O-CA 3.22Å; F53-E99 WeakPolarHBondContact O-CA 3.37Å; V97-E99 VanDerWaalsContact C-N 3.28Å; V97-E99 WeakPolarHBondContact CG1-O 3.01Å |
| 100 | F | 88.6 | Confident | 80.5 | Confident | 43 Ų | 43 | 78.5 Ų | 78.5 | 19% | 0.189 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 119.7 | 172.4 | -179.9 | -104.8 | 0 | 0 | 0 | 109.2 | F53 L65 L88 L89 L102 L113 | F53-F100 HydrophobicContact CB-CB 4.42Å; F53-F100 HydrophobicContact CD2-CD1 4.12Å; F53-F100 PolarHBondContact N-O 2.98Å; F53-F100 PolarHBondContact O-N 3.2Å; L65-F100 HydrophobicContact CD2-CD1 4.26Å; L88-F100 HydrophobicContact CB-CD1 4.19Å; L88-F100 HydrophobicContact CB-CE1 3.92Å; L88-F100 HydrophobicContact CB-CZ 4.18Å; L88-F100 HydrophobicContact CD1-CD1 4.45Å; L88-F100 HydrophobicContact CD1-CE1 3.83Å; L88-F100 HydrophobicContact CD1-CZ 4.49Å; L88-F100 HydrophobicContact CD2-CE1 4.06Å; L88-F100 HydrophobicContact CD2-CZ 3.87Å; L88-F100 HydrophobicContact CG-CE1 4.14Å; L88-F100 HydrophobicContact CG-CZ 4.4Å; L89-F100 HydrophobicContact CB-CB 4.27Å; L89-F100 HydrophobicContact CD1-CB 4.07Å; L89-F100 HydrophobicContact CD2-CB 3.84Å; L89-F100 HydrophobicContact CG-CB 4.28Å; F100-L102 HydrophobicContact CD1-CB 4.36Å; F100-L102 HydrophobicContact CE1-CB 3.78Å; F100-L102 HydrophobicContact CZ-CB 4.49Å; F100-L113 HydrophobicContact CZ-CD2 3.89Å |
| 101 | V | 91.5 | Very high | 80.4 | Confident | 80 Ų | 80 | 80.3 Ų | 80.3 | 49% | 0.485 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.2 | 178.3 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | N50 L51 I52 | N50-V101 HydrophobicContact CB-CG1 4.21Å; L51-V101 WeakPolarHBondContact O-CA 3.42Å; I52-V101 HydrophobicContact CG1-CG1 4.29Å; I52-V101 HydrophobicContact CG1-CG2 4.27Å; I52-V101 HydrophobicContact CG2-CG2 4.31Å |
| 102 | L | 93.1 | Very high | 80.7 | Confident | 4 Ų | 4 | 82.9 Ų | 82.9 | 2% | 0.021 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 117.7 | 176.8 | 174.8 | 63.2 | 0 | 0 | 0 | 109.4 | L51 F100 L113 P114 F116 F124 | L51-L102 HydrophobicContact CB-CB 4.32Å; L51-L102 HydrophobicContact CD1-CD2 4.19Å; L51-L102 PolarHBondContact N-O 2.92Å; L51-L102 PolarHBondContact O-N 3.44Å; F100-L102 HydrophobicContact CD1-CB 4.36Å; F100-L102 HydrophobicContact CE1-CB 3.78Å; F100-L102 HydrophobicContact CZ-CB 4.49Å; L102-L113 HydrophobicContact CD1-CB 4.3Å; L102-L113 HydrophobicContact CD1-CD1 3.98Å; L102-L113 HydrophobicContact CD1-CD2 4.21Å; L102-L113 HydrophobicContact CD1-CG 4.4Å; L102-P114 HydrophobicContact CD1-CG 4.47Å; L102-P114 HydrophobicContact CD2-CG 3.71Å; L102-F116 HydrophobicContact CD2-CE2 4.14Å; L102-F116 HydrophobicContact CD2-CZ 4Å; L102-F116 HydrophobicContact CG-CE2 4.4Å; L102-F124 HydrophobicContact CD2-CE1 3.85Å; L102-F124 HydrophobicContact CD2-CZ 3.66Å |
| 103 | K | 93.2 | Very high | 81.4 | Confident | 126 Ų | 126 | 78.1 Ų | 78.1 | 55% | 0.548 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.8 | 172.7 | -168.2 | 172.4 | -176.5 | 176.7 | 0 | 110.1 | S105 | K103-S105 PolarHBondContact O-N 2.78Å |
| 104 | V | 92.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | trans | -71.1 | 111.8 | 173.3 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | A45 G48 D49 L51 F116 L142 | A45-V104 HydrophobicContact CB-CG1 4.36Å; A45-V104 HydrophobicContact CB-CG2 3.89Å; G48-V104 WeakPolarHBondContact CA-O 3.47Å; G48-V104 PolarHBondContact N-O 3.28Å; D49-V104 HydrophobicContact CB-CB 4.38Å; D49-V104 HydrophobicContact CB-CG2 4.22Å; D49-V104 PolarHBondContact O-N 3.02Å; L51-V104 HydrophobicContact CD1-CG2 4.03Å; L51-V104 HydrophobicContact CD2-CG2 4.15Å; L51-V104 HydrophobicContact CG-CG2 3.76Å; V104-F116 HydrophobicContact CB-CD2 4.49Å; V104-F116 HydrophobicContact CG1-CB 4.04Å; V104-F116 HydrophobicContact CG1-CD1 4.07Å; V104-F116 HydrophobicContact CG1-CD2 4.09Å; V104-F116 HydrophobicContact CG1-CG 3.8Å; V104-F116 HydrophobicContact CG2-CE2 4.49Å; V104-F116 HydrophobicContact CG2-CZ 4.34Å; V104-L142 HydrophobicContact CG1-CD1 3.71Å | ||
| 105 | S | 90.5 | Very high | 84.2 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | trans | -145.9 | 141.8 | -178.8 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | E47 K103 F107 F116 | E47-S105 VanDerWaalsContact OE1-CA 3.31Å; E47-S105 WeakPolarHBondContact OE1-CA 3.13Å; K103-S105 PolarHBondContact O-N 2.78Å; S105-F107 PolarHBondContact O-N 2.85Å; S105-F107 VanDerWaalsContact OG-C 3.23Å; S105-F107 PolarHBondContact OG-N 2.83Å; S105-F107 PolarHBondContact OG-O 2.93Å; S105-F116 PolarHBondContact O-N 2.88Å | ||
| 106 | R | 88.9 | Confident | 85.7 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -65.2 | -29.4 | 165.6 | -72.6 | 172.4 | -172.6 | -165.3 | 10.2 | 112.1 | E47 P108 S115 F116 L142 | E47-R106 PolarHBondContact OE1-N 2.97Å; E47-R106 PolarHBondContact OE2-N 3.04Å; R106-P108 WeakPolarHBondContact O-CD 3.22Å; R106-S115 WeakPolarHBondContact O-CB 3.43Å; R106-F116 WeakPolarHBondContact CA-O 3.13Å; R106-F116 WeakPolarHBondContact CG-O 3.4Å; R106-L142 HydrophobicContact CG-CD2 4.05Å |
| 107 | F | 87.4 | Confident | 87 | Confident | 126 Ų | 126 | 64.9 Ų | 64.9 | 55% | 0.553 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -123.5 | 82.7 | -176.1 | -54.1 | -72.3 | 0 | 0 | 0 | 109.5 | S105 E212 | S105-F107 PolarHBondContact O-N 2.85Å; S105-F107 VanDerWaalsContact OG-C 3.23Å; S105-F107 PolarHBondContact OG-N 2.83Å; S105-F107 PolarHBondContact OG-O 2.93Å; F107-E212 HydrophobicContact CE2-CG 4.45Å; F107-E212 HydrophobicContact CZ-CB 4.47Å; F107-E212 HydrophobicContact CZ-CG 4.29Å |
| 108 | P | 86.4 | Confident | 88 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 25% | 0.253 | 34% | 0.341 | S | S | . | . | trans | -67.5 | 138.4 | 175.6 | 28.2 | -33.6 | 0 | 0 | 0 | 110.1 | R106 I110 L113 | R106-P108 WeakPolarHBondContact O-CD 3.22Å; P108-I110 PolarHBondContact O-N 2.67Å; P108-L113 HydrophobicContact CB-CB 4Å | ||
| 109 | E | 82.2 | Confident | 88.2 | Confident | 183 Ų | 183 | 67.8 Ų | 67.8 | 86% | 0.855 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -65.9 | -26.1 | 177.2 | -64.7 | 176.6 | -169.4 | 0 | 0 | 112.3 | ||
| 110 | I | 85.1 | Confident | 88.3 | Confident | 89 Ų | 89 | 66.7 Ų | 66.7 | 46% | 0.456 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -110.5 | 119.9 | -177.9 | -58.4 | 169.7 | 0 | 0 | 0 | 108.7 | P108 S112 L113 | P108-I110 PolarHBondContact O-N 2.67Å; I110-S112 VanDerWaalsContact CG2-OG 3.32Å; I110-S112 WeakPolarHBondContact CG2-OG 3.15Å; I110-S112 PolarHBondContact O-N 2.87Å; I110-L113 HydrophobicContact CB-CD1 3.93Å; I110-L113 HydrophobicContact CB-CG 3.97Å; I110-L113 HydrophobicContact CD1-CD1 4.11Å; I110-L113 HydrophobicContact CG1-CD1 4.42Å; I110-L113 HydrophobicContact CG2-CG 4.26Å; I110-L113 WeakPolarHBondContact O-CB 3.42Å; I110-L113 PolarHBondContact O-N 2.81Å |
| 111 | A | 81.5 | Confident | 88.5 | Confident | 101 Ų | 101 | 65.6 Ų | 65.6 | 84% | 0.835 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -15.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 112 | S | 84.6 | Confident | 88.6 | Confident | 58 Ų | 58 | 62 Ų | 62 | 41% | 0.406 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -5.2 | 175.9 | 62.6 | 0 | 0 | 0 | 0 | 113.8 | W67 I110 | W67-S112 VanDerWaalsContact CE2-O 3.29Å; W67-S112 VanDerWaalsContact CZ2-O 3.25Å; W67-S112 WeakPolarHBondContact CZ2-O 3.4Å; W67-S112 PolarHBondContact NE1-O 2.03Å; I110-S112 VanDerWaalsContact CG2-OG 3.32Å; I110-S112 WeakPolarHBondContact CG2-OG 3.15Å; I110-S112 PolarHBondContact O-N 2.87Å |
| 113 | L | 89.7 | Confident | 88.6 | Confident | 34 Ų | 34 | 63.1 Ų | 63.1 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -90.7 | 154.1 | 175.6 | -63.9 | -177 | 0 | 0 | 0 | 110.9 | L88 F100 L102 P108 I110 | L88-L113 HydrophobicContact CD2-CD2 3.71Å; F100-L113 HydrophobicContact CZ-CD2 3.89Å; L102-L113 HydrophobicContact CD1-CB 4.3Å; L102-L113 HydrophobicContact CD1-CD1 3.98Å; L102-L113 HydrophobicContact CD1-CD2 4.21Å; L102-L113 HydrophobicContact CD1-CG 4.4Å; P108-L113 HydrophobicContact CB-CB 4Å; I110-L113 HydrophobicContact CB-CD1 3.93Å; I110-L113 HydrophobicContact CB-CG 3.97Å; I110-L113 HydrophobicContact CD1-CD1 4.11Å; I110-L113 HydrophobicContact CG1-CD1 4.42Å; I110-L113 HydrophobicContact CG2-CG 4.26Å; I110-L113 WeakPolarHBondContact O-CB 3.42Å; I110-L113 PolarHBondContact O-N 2.81Å |
| 114 | P | 91.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 136.9 | 179.2 | 26 | -33.8 | 0 | 0 | 0 | 111.8 | W67 L102 F116 V122 | W67-P114 HydrophobicContact CD2-CB 3.95Å; W67-P114 HydrophobicContact CD2-CG 4.23Å; W67-P114 HydrophobicContact CE3-CB 3.69Å; W67-P114 HydrophobicContact CE3-CG 4.42Å; W67-P114 HydrophobicContact CG-CG 4.47Å; W67-P114 HydrophobicContact CH2-CB 4.18Å; W67-P114 HydrophobicContact CZ2-CB 4.39Å; W67-P114 HydrophobicContact CZ3-CB 3.83Å; L102-P114 HydrophobicContact CD1-CG 4.47Å; L102-P114 HydrophobicContact CD2-CG 3.71Å; P114-F116 HydrophobicContact CB-CE2 4.24Å; P114-F116 HydrophobicContact CB-CZ 4.5Å; P114-F116 HydrophobicContact CG-CE2 3.78Å; P114-F116 HydrophobicContact CG-CZ 4Å; P114-V122 HydrophobicContact CB-CB 4.41Å; P114-V122 HydrophobicContact CB-CG1 3.56Å; P114-V122 HydrophobicContact CB-CG2 3.94Å; P114-V122 HydrophobicContact CG-CG1 3.96Å |
| 115 | S | 91.2 | Very high | 88.5 | Confident | 52 Ų | 52 | 57.4 Ų | 57.4 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 123.2 | 162.7 | 56.3 | 0 | 0 | 0 | 0 | 109.1 | R106 H117 | R106-S115 WeakPolarHBondContact O-CB 3.43Å; S115-H117 PolarHBondContact OG-NE2 3.16Å |
| 116 | F | 91.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 124.2 | -178.4 | -70.5 | -95.5 | 0 | 0 | 0 | 110.3 | L51 L102 V104 S105 R106 P114 V122 F124 V140 L142 | L51-F116 HydrophobicContact CD1-CE1 4.25Å; L51-F116 HydrophobicContact CD1-CZ 3.82Å; L102-F116 HydrophobicContact CD2-CE2 4.14Å; L102-F116 HydrophobicContact CD2-CZ 4Å; L102-F116 HydrophobicContact CG-CE2 4.4Å; V104-F116 HydrophobicContact CB-CD2 4.49Å; V104-F116 HydrophobicContact CG1-CB 4.04Å; V104-F116 HydrophobicContact CG1-CD1 4.07Å; V104-F116 HydrophobicContact CG1-CD2 4.09Å; V104-F116 HydrophobicContact CG1-CG 3.8Å; V104-F116 HydrophobicContact CG2-CE2 4.49Å; V104-F116 HydrophobicContact CG2-CZ 4.34Å; S105-F116 PolarHBondContact O-N 2.88Å; R106-F116 WeakPolarHBondContact CA-O 3.13Å; R106-F116 WeakPolarHBondContact CG-O 3.4Å; P114-F116 HydrophobicContact CB-CE2 4.24Å; P114-F116 HydrophobicContact CB-CZ 4.5Å; P114-F116 HydrophobicContact CG-CE2 3.78Å; P114-F116 HydrophobicContact CG-CZ 4Å; F116-V122 HydrophobicContact CD1-CB 4.14Å; F116-V122 HydrophobicContact CD1-CG2 3.6Å; F116-V122 HydrophobicContact CE1-CB 3.74Å; F116-V122 HydrophobicContact CE1-CG1 4.27Å; F116-V122 HydrophobicContact CE1-CG2 3.68Å; F116-V122 HydrophobicContact CG-CG2 4.14Å; F116-V122 HydrophobicContact CZ-CB 4.35Å; F116-V122 HydrophobicContact CZ-CG1 4.4Å; F116-V122 HydrophobicContact CZ-CG2 4.28Å; F116-F124 HydrophobicContact CZ-CZ 4.27Å; F116-V140 HydrophobicContact CD1-CG1 4.25Å; F116-V140 HydrophobicContact CE1-CB 3.96Å; F116-V140 HydrophobicContact CE1-CG1 3.68Å; F116-L142 HydrophobicContact CB-CB 4.36Å; F116-L142 HydrophobicContact CB-CD2 4.45Å |
| 117 | H | 89.5 | Confident | 88 | Confident | 83 Ų | 83 | 57.3 Ų | 57.3 | 38% | 0.384 | 31% | 0.311 | S | S | . | . | trans | -118.6 | 149.5 | 174.6 | -61 | -73.1 | 0 | 0 | 0 | 109.9 | S115 E119 I120 | S115-H117 PolarHBondContact OG-NE2 3.16Å; H117-E119 PolarHBondContact O-N 2.7Å; H117-I120 HydrophobicContact CB-CB 4.45Å; H117-I120 PolarHBondContact O-N 3.25Å | ||
| 118 | S | 85.1 | Confident | 87.6 | Confident | 54 Ų | 54 | 52.7 Ų | 52.7 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -64.3 | -22.4 | -177.8 | 48.6 | 0 | 0 | 0 | 0 | 114 | ||
| 119 | E | 83.2 | Confident | 87.3 | Confident | 160 Ų | 160 | 54.7 Ų | 54.7 | 75% | 0.748 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -99.2 | -22.5 | -176.5 | -63.6 | 177.7 | -172 | 0 | 0 | 113 | H117 | H117-E119 PolarHBondContact O-N 2.7Š|
| 120 | I | 87.7 | Confident | 87.3 | Confident | 91 Ų | 91 | 47 Ų | 47 | 47% | 0.467 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -117.2 | 108.5 | -171.5 | -56.1 | 175.1 | 0 | 0 | 0 | 108.9 | H117 | H117-I120 HydrophobicContact CB-CB 4.45Å; H117-I120 PolarHBondContact O-N 3.25Å |
| 121 | P | 92 | Very high | 87.3 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 13% | 0.13 | 25% | 0.249 | C | C | . | . | trans | -63 | 143.8 | 171.1 | 24.6 | -34.3 | 0 | 0 | 0 | 111.8 | Y123 S139 V140 K141 | P121-Y123 HydrophobicContact CB-CE1 3.94Å; P121-Y123 HydrophobicContact CG-CE1 3.9Å; P121-Y123 HydrophobicContact CG-CE2 4.06Å; P121-Y123 VanDerWaalsContact CG-CZ 3.42Å; P121-Y123 WeakPolarHBondContact CG-OH 3.16Å; P121-S139 VanDerWaalsContact CB-OG 3.31Å; P121-S139 WeakPolarHBondContact CB-OG 3.25Å; P121-V140 WeakPolarHBondContact CA-O 3.47Å; P121-K141 HydrophobicContact CB-CG 3.8Å | ||
| 122 | V | 93.4 | Very high | 87.4 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 132.5 | 168.9 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | W67 P114 F116 F124 S139 V140 | W67-V122 HydrophobicContact CE3-CG1 4.36Å; P114-V122 HydrophobicContact CB-CB 4.41Å; P114-V122 HydrophobicContact CB-CG1 3.56Å; P114-V122 HydrophobicContact CB-CG2 3.94Å; P114-V122 HydrophobicContact CG-CG1 3.96Å; F116-V122 HydrophobicContact CD1-CB 4.14Å; F116-V122 HydrophobicContact CD1-CG2 3.6Å; F116-V122 HydrophobicContact CE1-CB 3.74Å; F116-V122 HydrophobicContact CE1-CG1 4.27Å; F116-V122 HydrophobicContact CE1-CG2 3.68Å; F116-V122 HydrophobicContact CG-CG2 4.14Å; F116-V122 HydrophobicContact CZ-CB 4.35Å; F116-V122 HydrophobicContact CZ-CG1 4.4Å; F116-V122 HydrophobicContact CZ-CG2 4.28Å; V122-F124 HydrophobicContact CB-CE2 4.43Å; V122-F124 HydrophobicContact CG1-CE2 3.83Å; V122-F124 HydrophobicContact CG1-CZ 3.89Å; V122-S139 WeakPolarHBondContact O-CA 3.4Å; V122-V140 PolarHBondContact N-O 3.17Å; V122-V140 PolarHBondContact O-N 2.9Å |
| 123 | Y | 93.4 | Very high | 87.3 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 11% | 0.106 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.3 | -177.3 | -55.1 | -68.6 | 0 | 0 | 0 | 111.4 | W67 T68 P71 Q74 P121 L138 S139 | W67-Y123 CarbonylContact C-O 3.47Å; W67-Y123 VanDerWaalsContact CA-O 3.24Å; W67-Y123 WeakPolarHBondContact CA-O 3.46Å; T68-Y123 PolarHBondContact N-O 3.17Å; T68-Y123 WeakPolarHBondContact O-CB 3.49Å; T68-Y123 PolarHBondContact O-N 2.96Å; P71-Y123 VanDerWaalsContact CA-CE2 3.44Å; P71-Y123 HydrophobicContact CB-CE2 3.8Å; Q74-Y123 HydrophobicContact CB-CD1 3.92Å; Q74-Y123 HydrophobicContact CB-CE1 4.47Å; Q74-Y123 HydrophobicContact CB-CG 3.89Å; Q74-Y123 VanDerWaalsContact CD-CE1 3.5Å; Q74-Y123 HydrophobicContact CG-CD1 3.71Å; Q74-Y123 HydrophobicContact CG-CE1 4.4Å; Q74-Y123 HydrophobicContact CG-CG 4.07Å; P121-Y123 HydrophobicContact CB-CE1 3.94Å; P121-Y123 HydrophobicContact CG-CE1 3.9Å; P121-Y123 HydrophobicContact CG-CE2 4.06Å; P121-Y123 VanDerWaalsContact CG-CZ 3.42Å; P121-Y123 WeakPolarHBondContact CG-OH 3.16Å; Y123-L138 CarbonylContact C-O 3.54Å; Y123-L138 WeakPolarHBondContact CA-O 3.2Å; Y123-S139 WeakPolarHBondContact CE1-OG 3.23Å |
| 124 | F | 92.6 | Very high | 87 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.7 | 171.4 | -57.1 | -93.6 | 0 | 0 | 0 | 109.3 | W29 L51 F53 L65 Y66 W67 L88 L102 F116 V122 R137 L138 V140 | W29-F124 HydrophobicContact CH2-CB 4.06Å; W29-F124 HydrophobicContact CZ3-CB 4.39Å; L51-F124 HydrophobicContact CD1-CE2 4.12Å; L51-F124 HydrophobicContact CD1-CZ 4Å; F53-F124 HydrophobicContact CE1-CB 4.45Å; F53-F124 HydrophobicContact CE1-CD1 4.28Å; F53-F124 HydrophobicContact CE1-CG 4.22Å; F53-F124 HydrophobicContact CE2-CD1 4.23Å; F53-F124 AromaticContact CE2-CE1 4Å; F53-F124 HydrophobicContact CE2-CE1 4Å; F53-F124 HydrophobicContact CE2-CZ 4.35Å; F53-F124 HydrophobicContact CZ-CB 4.49Å; F53-F124 AromaticContact CZ-CD1 3.65Å; F53-F124 HydrophobicContact CZ-CD1 3.65Å; F53-F124 HydrophobicContact CZ-CD2 4.06Å; F53-F124 AromaticContact CZ-CE1 3.77Å; F53-F124 HydrophobicContact CZ-CE1 3.77Å; F53-F124 HydrophobicContact CZ-CE2 4.19Å; F53-F124 AromaticContact CZ-CG 3.79Å; F53-F124 HydrophobicContact CZ-CG 3.79Å; F53-F124 HydrophobicContact CZ-CZ 4.05Å; L65-F124 HydrophobicContact CD1-CB 3.87Å; L65-F124 HydrophobicContact CD1-CD1 4Å; L65-F124 HydrophobicContact CD1-CG 4.36Å; L65-F124 HydrophobicContact CG-CD1 4.44Å; Y66-F124 CarbonylContact O-C 3.5Å; Y66-F124 VanDerWaalsContact O-CA 3.23Å; Y66-F124 WeakPolarHBondContact O-CA 3.19Å; W67-F124 HydrophobicContact CB-CD1 3.95Å; W67-F124 HydrophobicContact CB-CE1 3.98Å; L88-F124 HydrophobicContact CD1-CD1 3.94Å; L88-F124 HydrophobicContact CD1-CE1 3.64Å; L102-F124 HydrophobicContact CD2-CE1 3.85Å; L102-F124 HydrophobicContact CD2-CZ 3.66Å; F116-F124 HydrophobicContact CZ-CZ 4.27Å; V122-F124 HydrophobicContact CB-CE2 4.43Å; V122-F124 HydrophobicContact CG1-CE2 3.83Å; V122-F124 HydrophobicContact CG1-CZ 3.89Å; F124-R137 CarbonylContact O-C 3.52Å; F124-R137 VanDerWaalsContact O-CA 3.24Å; F124-R137 WeakPolarHBondContact O-CA 3.45Å; F124-L138 HydrophobicContact CB-CB 4.2Å; F124-L138 HydrophobicContact CD2-CD2 4.19Å; F124-L138 PolarHBondContact N-O 3.3Å; F124-L138 PolarHBondContact O-N 3.48Å; F124-V140 HydrophobicContact CD2-CG2 3.92Å; F124-V140 HydrophobicContact CE2-CB 4.12Å; F124-V140 HydrophobicContact CE2-CG2 3.55Å |
| 125 | V | 90.6 | Very high | 86.6 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.036 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 144.4 | -175.1 | -63.6 | 0 | 0 | 0 | 0 | 110.7 | Y66 V73 Q74 R137 | Y66-V125 WeakPolarHBondContact CD2-O 3.45Å; Y66-V125 PolarHBondContact N-O 3.15Å; Y66-V125 PolarHBondContact O-N 2.9Å; V73-V125 HydrophobicContact CG1-CG2 3.99Å; Q74-V125 HydrophobicContact CB-CG1 4.34Å; Q74-V125 HydrophobicContact CG-CG1 4.24Å; V125-R137 HydrophobicContact CG1-CB 4.09Å |
| 126 | A | 87.4 | Confident | 86.4 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | trans | -80.2 | 176.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | W29 C131 F136 | W29-A126 HydrophobicContact CZ2-CB 4.09Å; A126-C131 HydrophobicContact CB-CB 4.35Å; A126-F136 HydrophobicContact CB-CB 3.93Å; A126-F136 HydrophobicContact CB-CD1 3.29Å; A126-F136 HydrophobicContact CB-CE1 3.85Å; A126-F136 HydrophobicContact CB-CG 3.7Å; A126-F136 PolarHBondContact N-O 2.83Å | ||
| 127 | Q | 82 | Confident | 86.3 | Confident | 71 Ų | 71 | 51 Ų | 51 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | trans | -56.4 | 145.4 | 170.4 | -173.8 | 164.4 | 11.5 | 0 | 0 | 111.3 | Y66 V129 I130 C131 | Y66-Q127 HydrophobicContact CE2-CB 4.46Å; Q127-V129 VanDerWaalsContact C-N 3.32Å; Q127-V129 PolarHBondContact O-N 3.23Å; Q127-V129 VanDerWaalsContact O-N 3.11Å; Q127-I130 PolarHBondContact O-N 3.36Å; Q127-C131 PolarHBondContact O-N 3.16Å | ||
| 128 | S | 78.7 | Confident | 86.5 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 21% | 0.21 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -47.7 | -47.9 | -166.6 | 52.4 | 0 | 0 | 0 | 0 | 114.6 | C77 I130 C131 Q132 | C77-S128 WeakPolarHBondContact O-CA 3.2Å; C77-S128 WeakPolarHBondContact O-CB 3.31Å; S128-I130 PolarHBondContact O-N 3.27Å; S128-C131 PolarHBondContact O-N 3.47Å; S128-Q132 WeakPolarHBondContact O-CB 3.43Å; S128-Q132 VanDerWaalsContact O-CG 3.28Å; S128-Q132 WeakPolarHBondContact O-CG 3.32Å; S128-Q132 PolarHBondContact O-N 3.24Å |
| 129 | V | 80.6 | Confident | 86.9 | Confident | 80 Ų | 80 | 44.6 Ų | 44.6 | 49% | 0.485 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.1 | -47.3 | -179.3 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | Q127 Q133 | Q127-V129 VanDerWaalsContact C-N 3.32Å; Q127-V129 PolarHBondContact O-N 3.23Å; Q127-V129 VanDerWaalsContact O-N 3.11Å; V129-Q133 WeakPolarHBondContact O-CB 3.23Å; V129-Q133 VanDerWaalsContact O-CG 3.27Å; V129-Q133 WeakPolarHBondContact O-CG 3.46Å; V129-Q133 PolarHBondContact O-N 3Å; V129-Q133 VanDerWaalsContact O-N 3.14Å |
| 130 | I | 81.5 | Confident | 87.4 | Confident | 22 Ų | 22 | 37 Ų | 37 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -77.7 | -37.3 | -176.2 | -47 | -178.6 | 0 | 0 | 0 | 110.7 | F61 S62 Q63 Q127 S128 Q132 Q133 N134 F136 | F61-I130 HydrophobicContact CB-CD1 4.36Å; S62-I130 VanDerWaalsContact O-CD1 3.24Å; S62-I130 WeakPolarHBondContact O-CD1 3.44Å; Q63-I130 HydrophobicContact CG-CD1 3.81Å; Q127-I130 PolarHBondContact O-N 3.36Å; S128-I130 PolarHBondContact O-N 3.27Å; I130-Q132 VanDerWaalsContact C-N 3.33Å; I130-Q132 PolarHBondContact O-N 2.87Å; I130-Q133 PolarHBondContact O-N 3.49Å; I130-N134 HydrophobicContact CG2-CB 4.48Å; I130-N134 WeakPolarHBondContact O-CB 3.46Å; I130-N134 PolarHBondContact O-N 2.81Å; I130-F136 HydrophobicContact CB-CD1 4.43Å; I130-F136 HydrophobicContact CG2-CB 4.47Å; I130-F136 HydrophobicContact CG2-CD1 3.62Å; I130-F136 HydrophobicContact CG2-CE1 4.35Å |
| 131 | C | 85.8 | Confident | 87.7 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | C77 A126 Q127 S128 N135 F136 | C77-C131 HydrophobicContact CB-CB 3.5Å; C77-C131 VanDerWaalsContact CB-CB 3.5Å; C77-C131 WeakPolarHBondContact CB-SG 3.14Å; C77-C131 WeakPolarHBondContact SG-CB 3.46Å; C77-C131 PolarHBondContact SG-O 3.41Å; C77-C131 VanDerWaalsContact SG-O 3.36Å; C77-C131 CovalentContact SG-SG 2.04Å; C77-C131 PolarHBondContact SG-SG 2.82Å; A126-C131 HydrophobicContact CB-CB 4.35Å; Q127-C131 PolarHBondContact O-N 3.16Å; S128-C131 PolarHBondContact O-N 3.47Å; C131-N135 VanDerWaalsContact O-CA 3.29Å; C131-N135 WeakPolarHBondContact O-CA 3.41Å; C131-N135 PolarHBondContact O-N 3.37Å; C131-N135 VanDerWaalsContact O-N 3.11Å; C131-F136 PolarHBondContact O-N 3.25Å |
| 132 | Q | 84.2 | Confident | 87.7 | Confident | 124 Ų | 124 | 35.3 Ų | 35.3 | 58% | 0.579 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -69 | -43.5 | 178.9 | -71.6 | 177.5 | -14.8 | 0 | 0 | 112.6 | K76 C77 S128 I130 | K76-Q132 PolarHBondContact O-NE2 3.37Å; K76-Q132 VanDerWaalsContact O-NE2 3.17Å; C77-Q132 HydrophobicContact CB-CB 4.46Å; C77-Q132 HydrophobicContact CB-CG 3.43Å; C77-Q132 VanDerWaalsContact CB-CG 3.43Å; S128-Q132 WeakPolarHBondContact O-CB 3.43Å; S128-Q132 VanDerWaalsContact O-CG 3.28Å; S128-Q132 WeakPolarHBondContact O-CG 3.32Å; S128-Q132 PolarHBondContact O-N 3.24Å; I130-Q132 VanDerWaalsContact C-N 3.33Å; I130-Q132 PolarHBondContact O-N 2.87Å |
| 133 | Q | 82.7 | Confident | 87.4 | Confident | 142 Ų | 142 | 39.4 Ų | 39.4 | 66% | 0.664 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -73.8 | -41 | -176 | -72.5 | 175.6 | -10.5 | 0 | 0 | 113.1 | V129 I130 | V129-Q133 WeakPolarHBondContact O-CB 3.23Å; V129-Q133 VanDerWaalsContact O-CG 3.27Å; V129-Q133 WeakPolarHBondContact O-CG 3.46Å; V129-Q133 PolarHBondContact O-N 3Å; V129-Q133 VanDerWaalsContact O-N 3.14Å; I130-Q133 PolarHBondContact O-N 3.49Å |
| 134 | N | 81.5 | Confident | 86.7 | Confident | 68 Ų | 68 | 40.3 Ų | 40.3 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -113.9 | 13.1 | -169 | -62.2 | -28.5 | 0 | 0 | 0 | 113.4 | A31 I130 F136 | A31-N134 HydrophobicContact CB-CB 3.91Å; A31-N134 WeakPolarHBondContact CB-ND2 3.37Å; I130-N134 HydrophobicContact CG2-CB 4.48Å; I130-N134 WeakPolarHBondContact O-CB 3.46Å; I130-N134 PolarHBondContact O-N 2.81Å; N134-F136 HydrophobicContact CB-CB 4.43Å; N134-F136 PolarHBondContact O-N 2.83Å |
| 135 | N | 84.8 | Confident | 85.3 | Confident | 25 Ų | 25 | 44.2 Ų | 44.2 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.4 | -175.6 | -173 | 41.9 | 0 | 0 | 0 | 112.4 | N39 N41 C131 R137 | N39-N135 PolarHBondContact OD1-ND2 2.79Å; N41-N135 PolarHBondContact ND2-ND2 2.79Å; N41-N135 PolarHBondContact ND2-OD1 3.43Å; C131-N135 VanDerWaalsContact O-CA 3.29Å; C131-N135 WeakPolarHBondContact O-CA 3.41Å; C131-N135 PolarHBondContact O-N 3.37Å; C131-N135 VanDerWaalsContact O-N 3.11Å; N135-R137 PolarHBondContact O-N 3.23Å; N135-R137 VanDerWaalsContact OD1-CZ 3.29Å; N135-R137 PolarHBondContact OD1-NE 3.39Å; N135-R137 PolarHBondContact OD1-NH2 3.37Å; N135-R137 VanDerWaalsContact OD1-NH2 3.16Å |
| 136 | F | 86.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -84.7 | 72 | -166.6 | -162.2 | -169 | 0 | 0 | 0 | 111 | W29 F36 Q63 A126 I130 C131 N134 | W29-F136 HydrophobicContact CB-CE2 4.5Å; W29-F136 HydrophobicContact CB-CZ 4.16Å; W29-F136 AromaticContact CD1-CZ 3.42Å; W29-F136 VanDerWaalsContact CD1-CZ 3.42Å; W29-F136 HydrophobicContact CD2-CD2 4.37Å; W29-F136 HydrophobicContact CD2-CE1 4.47Å; W29-F136 AromaticContact CD2-CE2 3.34Å; W29-F136 HydrophobicContact CD2-CE2 3.34Å; W29-F136 AromaticContact CD2-CZ 3.41Å; W29-F136 HydrophobicContact CD2-CZ 3.41Å; W29-F136 VanDerWaalsContact CD2-CZ 3.41Å; W29-F136 AromaticContact CE2-CE2 3.51Å; W29-F136 AromaticContact CE2-CZ 3.41Å; W29-F136 VanDerWaalsContact CE2-CZ 3.41Å; W29-F136 HydrophobicContact CE3-CD2 4.4Å; W29-F136 AromaticContact CE3-CE2 3.56Å; W29-F136 HydrophobicContact CE3-CE2 3.56Å; W29-F136 HydrophobicContact CE3-CZ 4.13Å; W29-F136 HydrophobicContact CG-CE1 4.46Å; W29-F136 AromaticContact CG-CE2 3.81Å; W29-F136 HydrophobicContact CG-CE2 3.81Å; W29-F136 AromaticContact CG-CZ 3.41Å; W29-F136 HydrophobicContact CG-CZ 3.41Å; W29-F136 VanDerWaalsContact CG-CZ 3.41Å; W29-F136 HydrophobicContact CH2-CD2 4.23Å; W29-F136 HydrophobicContact CH2-CE2 4.07Å; W29-F136 HydrophobicContact CZ2-CD2 4.18Å; W29-F136 AromaticContact CZ2-CE2 3.88Å; W29-F136 HydrophobicContact CZ2-CE2 3.88Å; W29-F136 HydrophobicContact CZ2-CZ 4.11Å; W29-F136 HydrophobicContact CZ3-CD2 4.34Å; W29-F136 AromaticContact CZ3-CE2 3.93Å; W29-F136 HydrophobicContact CZ3-CE2 3.93Å; W29-F136 AromaticContact NE1-CE1 3.84Å; W29-F136 AromaticContact NE1-CZ 3.41Å; W29-F136 WeakPolarHBondContact O-CZ 3.49Å; F36-F136 HydrophobicContact CD1-CD2 4.08Å; F36-F136 AromaticContact CD2-CD2 3.62Å; F36-F136 HydrophobicContact CD2-CD2 3.62Å; F36-F136 AromaticContact CD2-CE2 3.85Å; F36-F136 HydrophobicContact CD2-CE2 3.85Å; F36-F136 AromaticContact CE1-CD2 3.83Å; F36-F136 HydrophobicContact CE1-CD2 3.83Å; F36-F136 HydrophobicContact CE1-CE2 4.28Å; F36-F136 AromaticContact CE2-CD2 3.37Å; F36-F136 HydrophobicContact CE2-CD2 3.37Å; F36-F136 AromaticContact CE2-CE2 3.21Å; F36-F136 HydrophobicContact CE2-CE2 3.21Å; F36-F136 HydrophobicContact CE2-CZ 4.41Å; F36-F136 AromaticContact CG-CD2 3.99Å; F36-F136 HydrophobicContact CG-CD2 3.99Å; F36-F136 AromaticContact CZ-CD2 3.48Å; F36-F136 HydrophobicContact CZ-CD2 3.48Å; F36-F136 VanDerWaalsContact CZ-CD2 3.48Å; F36-F136 AromaticContact CZ-CE2 3.47Å; F36-F136 HydrophobicContact CZ-CE2 3.47Å; F36-F136 VanDerWaalsContact CZ-CE2 3.47Å; Q63-F136 HydrophobicContact CB-CE1 4.16Å; Q63-F136 HydrophobicContact CG-CE1 4.19Å; A126-F136 HydrophobicContact CB-CB 3.93Å; A126-F136 HydrophobicContact CB-CD1 3.29Å; A126-F136 HydrophobicContact CB-CE1 3.85Å; A126-F136 HydrophobicContact CB-CG 3.7Å; A126-F136 PolarHBondContact N-O 2.83Å; I130-F136 HydrophobicContact CB-CD1 4.43Å; I130-F136 HydrophobicContact CG2-CB 4.47Å; I130-F136 HydrophobicContact CG2-CD1 3.62Å; I130-F136 HydrophobicContact CG2-CE1 4.35Å; C131-F136 PolarHBondContact O-N 3.25Å; N134-F136 HydrophobicContact CB-CB 4.43Å; N134-F136 PolarHBondContact O-N 2.83Å | ||
| 137 | R | 90.1 | Very high | 81.9 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 148.5 | -174.9 | 63.8 | -167.3 | 178.1 | 175.5 | -6.7 | 110.1 | N41 Q74 L75 F124 V125 N135 | N41-R137 WeakPolarHBondContact CB-O 3.01Å; N41-R137 WeakPolarHBondContact ND2-CG 3.13Å; N41-R137 PolarHBondContact ND2-O 3.21Å; Q74-R137 HydrophobicContact CG-CB 4.08Å; Q74-R137 HydrophobicContact CG-CG 4.31Å; Q74-R137 WeakPolarHBondContact O-CD 3.31Å; Q74-R137 PolarHBondContact O-NH1 2.83Å; L75-R137 PolarHBondContact O-NH1 2.8Å; F124-R137 CarbonylContact O-C 3.52Å; F124-R137 VanDerWaalsContact O-CA 3.24Å; F124-R137 WeakPolarHBondContact O-CA 3.45Å; V125-R137 HydrophobicContact CG1-CB 4.09Å; N135-R137 PolarHBondContact O-N 3.23Å; N135-R137 VanDerWaalsContact OD1-CZ 3.29Å; N135-R137 PolarHBondContact OD1-NE 3.39Å; N135-R137 PolarHBondContact OD1-NH2 3.37Å; N135-R137 VanDerWaalsContact OD1-NH2 3.16Å |
| 138 | L | 92.8 | Very high | 80 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 142.1 | -177 | -174.3 | 79.5 | 0 | 0 | 0 | 108.7 | I27 W29 N41 I43 F53 Y123 F124 V140 | I27-L138 HydrophobicContact CD1-CD2 4.11Å; I27-L138 HydrophobicContact CG1-CD2 4.17Å; W29-L138 HydrophobicContact CZ3-CB 4.43Å; N41-L138 CarbonylContact O-C 3.55Å; N41-L138 VanDerWaalsContact O-CA 3.31Å; N41-L138 WeakPolarHBondContact O-CA 3.1Å; N41-L138 VanDerWaalsContact O-CD1 3.26Å; N41-L138 WeakPolarHBondContact O-CD1 3.05Å; I43-L138 HydrophobicContact CD1-CD1 3.7Å; I43-L138 HydrophobicContact CD1-CD2 3.94Å; I43-L138 HydrophobicContact CD1-CG 4.26Å; I43-L138 HydrophobicContact CG1-CD1 3.97Å; F53-L138 HydrophobicContact CE1-CD2 3.96Å; F53-L138 HydrophobicContact CZ-CD2 4.2Å; Y123-L138 CarbonylContact C-O 3.54Å; Y123-L138 WeakPolarHBondContact CA-O 3.2Å; F124-L138 HydrophobicContact CB-CB 4.2Å; F124-L138 HydrophobicContact CD2-CD2 4.19Å; F124-L138 PolarHBondContact N-O 3.3Å; F124-L138 PolarHBondContact O-N 3.48Å; L138-V140 HydrophobicContact CD2-CG2 4.03Å; L138-V140 HydrophobicContact CG-CG2 4.34Å |
| 139 | S | 93.4 | Very high | 77.8 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.2 | 170.6 | -172.8 | 0 | 0 | 0 | 0 | 108.2 | N41 D42 I43 P121 V122 Y123 | N41-S139 PolarHBondContact O-N 2.78Å; D42-S139 CarbonylContact C-O 3.58Å; D42-S139 WeakPolarHBondContact CA-O 3.37Å; D42-S139 WeakPolarHBondContact OD1-CB 3.24Å; I43-S139 PolarHBondContact N-O 2.71Å; P121-S139 VanDerWaalsContact CB-OG 3.31Å; P121-S139 WeakPolarHBondContact CB-OG 3.25Å; V122-S139 WeakPolarHBondContact O-CA 3.4Å; Y123-S139 WeakPolarHBondContact CE1-OG 3.23Å |
| 140 | V | 94.4 | Very high | 75.5 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.3 | 175.1 | -178 | 0 | 0 | 0 | 0 | 108.7 | I43 A45 L51 F116 P121 V122 F124 L138 | I43-V140 HydrophobicContact CB-CG2 4.27Å; I43-V140 CarbonylContact O-C 3.58Å; I43-V140 WeakPolarHBondContact O-CA 3.38Å; A45-V140 HydrophobicContact CB-CG1 4.1Å; L51-V140 HydrophobicContact CD1-CB 4.48Å; L51-V140 HydrophobicContact CD1-CG1 4.14Å; L51-V140 HydrophobicContact CD1-CG2 3.98Å; L51-V140 HydrophobicContact CD2-CG1 4.35Å; L51-V140 HydrophobicContact CD2-CG2 4.45Å; F116-V140 HydrophobicContact CD1-CG1 4.25Å; F116-V140 HydrophobicContact CE1-CB 3.96Å; F116-V140 HydrophobicContact CE1-CG1 3.68Å; P121-V140 WeakPolarHBondContact CA-O 3.47Å; V122-V140 PolarHBondContact N-O 3.17Å; V122-V140 PolarHBondContact O-N 2.9Å; F124-V140 HydrophobicContact CD2-CG2 3.92Å; F124-V140 HydrophobicContact CE2-CB 4.12Å; F124-V140 HydrophobicContact CE2-CG2 3.55Å; L138-V140 HydrophobicContact CD2-CG2 4.03Å; L138-V140 HydrophobicContact CG-CG2 4.34Å |
| 141 | K | 93.5 | Very high | 73 | Confident | 70 Ų | 70 | 74.5 Ų | 74.5 | 30% | 0.304 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.6 | 178.8 | -70.5 | 173.4 | -176.1 | 174.2 | 0 | 109.4 | I43 Y44 A45 P121 M143 | I43-K141 PolarHBondContact O-N 3.15Å; Y44-K141 WeakPolarHBondContact CA-O 3.4Å; Y44-K141 HydrophobicContact CD1-CB 3.88Å; Y44-K141 HydrophobicContact CD1-CD 4.36Å; Y44-K141 HydrophobicContact CE1-CB 4.04Å; Y44-K141 HydrophobicContact CE1-CD 3.66Å; Y44-K141 HydrophobicContact CE1-CG 4.47Å; A45-K141 PolarHBondContact N-O 3.49Å; P121-K141 HydrophobicContact CB-CG 3.8Å; K141-M143 PolarHBondContact O-N 3.39Å |
| 142 | L | 92.4 | Very high | 70.4 | Confident | 6 Ų | 6 | 83 Ų | 83 | 3% | 0.031 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 122.9 | 172.5 | -176.1 | 67.8 | 0 | 0 | 0 | 109.1 | A45 E47 V104 R106 F116 S144 | A45-L142 WeakPolarHBondContact O-CA 3.39Å; E47-L142 HydrophobicContact CB-CD1 4.33Å; V104-L142 HydrophobicContact CG1-CD1 3.71Å; R106-L142 HydrophobicContact CG-CD2 4.05Å; F116-L142 HydrophobicContact CB-CB 4.36Å; F116-L142 HydrophobicContact CB-CD2 4.45Å; L142-S144 PolarHBondContact O-N 3.31Å |
| 143 | M | 87.2 | Confident | 67.9 | Low | 89 Ų | 89 | 83.6 Ų | 83.6 | 44% | 0.438 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -64 | 130.9 | 172.9 | -74.4 | -172.3 | 146.8 | 0 | 0 | 109.7 | Y44 A45 T46 K141 | Y44-M143 HydrophobicContact CG-CE 4.35Å; A45-M143 PolarHBondContact O-N 3.21Å; T46-M143 HydrophobicContact CG2-CB 4.15Å; T46-M143 HydrophobicContact CG2-SD 4.22Å; K141-M143 PolarHBondContact O-N 3.39Å |
| 144 | S | 77.6 | Confident | 65.4 | Low | 46 Ų | 46 | 83.2 Ų | 83.2 | 32% | 0.322 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 129 | 171.2 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | L142 N146 K147 | L142-S144 PolarHBondContact O-N 3.31Å; S144-N146 PolarHBondContact O-N 3.07Å; S144-K147 PolarHBondContact O-N 3.17Å; S144-K147 VanDerWaalsContact O-N 3.11Å |
| 145 | D | 64.2 | Low | 63 | Low | 83 Ų | 83 | 86.8 Ų | 86.8 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -55.1 | -19.4 | 177 | -60.3 | -42.4 | 0 | 0 | 0 | 113 | K147 | D145-K147 PolarHBondContact O-N 3.39Š|
| 146 | N | 57.9 | Low | 60.5 | Low | 131 Ų | 131 | 89.1 Ų | 89.1 | 70% | 0.701 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -75.9 | 0.6 | 179.2 | -71.9 | -8.4 | 0 | 0 | 0 | 114.7 | S144 | S144-N146 PolarHBondContact O-N 3.07Š|
| 147 | K | 49.5 | Very low | 58 | Low | 194 Ų | 194 | 93.6 Ų | 93.6 | 84% | 0.843 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -104.3 | 2.9 | 177.2 | -77.8 | -166.7 | 175.3 | -173.9 | 0 | 114.6 | S144 D145 | S144-K147 PolarHBondContact O-N 3.17Å; S144-K147 VanDerWaalsContact O-N 3.11Å; D145-K147 PolarHBondContact O-N 3.39Å |
| 148 | I | 41.8 | Very low | 55.3 | Low | 113 Ų | 113 | 97.5 Ų | 97.5 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -103.4 | 129.1 | 176.4 | -53.7 | 172.2 | 0 | 0 | 0 | 106.6 | ||
| 149 | D | 31 | Very low | 52.7 | Low | 156 Ų | 156 | 105.7 Ų | 105.7 | 83% | 0.834 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 80.3 | 59 | -174.7 | -69.7 | -22.4 | 0 | 0 | 0 | 118.6 | ||
| 150 | V | 32.5 | Very low | 49.9 | Very low | 129 Ų | 129 | 113.4 Ų | 113.4 | 78% | 0.782 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -136.7 | 101.3 | 133.2 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 151 | N | 28.7 | Very low | 46.9 | Very low | 124 Ų | 124 | 119.9 Ų | 119.9 | 66% | 0.663 | 62% | 0.624 | S | S | * | * | trans | 66.8 | 130.2 | 166.1 | -70.7 | -8.8 | 0 | 0 | 0 | 119 | Q153 | N151-Q153 HydrophobicContact CB-CB 4.25Å; N151-Q153 PolarHBondContact O-N 2.87Å | ||
| 152 | N | 32.1 | Very low | 44 | Very low | 179 Ų | 179 | 121.9 Ų | 121.9 | 96% | 0.957 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -56.9 | 50.2 | 149 | -81.1 | -28.4 | 0 | 0 | 0 | 112.8 | ||
| 153 | Q | 32.1 | Very low | 41.1 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 65% | 0.645 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -145.9 | 106 | 172.1 | -74.1 | -175.4 | -12.6 | 0 | 0 | 109 | N151 | N151-Q153 HydrophobicContact CB-CB 4.25Å; N151-Q153 PolarHBondContact O-N 2.87Å |
| 154 | I | 28.7 | Very low | 38.4 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | trans | 57.6 | 74.2 | 140.2 | -47 | 168.1 | 0 | 0 | 0 | 113 | T156 | I154-T156 HydrophobicContact CG2-CG2 3.8Å; I154-T156 PolarHBondContact O-N 3Å | ||
| 155 | V | 33 | Very low | 36 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 86% | 0.861 | 72% | 0.719 | S | S | * | * | trans | -73 | 95.1 | 141.5 | 179 | 0 | 0 | 0 | 0 | 105 | ||||
| 156 | T | 31.6 | Very low | 34.4 | Very low | 75 Ų | 75 | 142.6 Ų | 142.6 | 46% | 0.46 | 74% | 0.736 | S | S | . | * | trans | -31.7 | 127.9 | -176.6 | 31.9 | 0 | 0 | 0 | 0 | 114 | I154 E158 | I154-T156 HydrophobicContact CG2-CG2 3.8Å; I154-T156 PolarHBondContact O-N 3Å; T156-E158 PolarHBondContact O-N 3.04Å | ||
| 157 | T | 33.2 | Very low | 33.1 | Very low | 93 Ų | 93 | 146.9 Ų | 146.9 | 57% | 0.571 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | 15.5 | 162.3 | -43.3 | 0 | 0 | 0 | 0 | 114.4 | Q161 | T157-Q161 HydrophobicContact CG2-CG 4.33Š|
| 158 | E | 34.5 | Very low | 32 | Very low | 143 Ų | 143 | 146 Ų | 146 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -23.5 | -177 | -64.9 | -170.5 | 159.8 | 0 | 0 | 113.8 | T156 T162 | T156-E158 PolarHBondContact O-N 3.04Å; E158-T162 WeakPolarHBondContact O-CG2 3.41Å; E158-T162 PolarHBondContact O-OG1 2.95Å |
| 159 | E | 37.5 | Very low | 31.4 | Very low | 172 Ų | 172 | 150.8 Ų | 150.8 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -18 | 172.1 | -86.4 | -170.7 | 144.1 | 0 | 0 | 113.7 | ||
| 160 | L | 35.4 | Very low | 31.3 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -10 | 176.2 | -137.5 | 83.2 | 0 | 0 | 0 | 113.5 | ||
| 161 | Q | 31.3 | Very low | 31.1 | Very low | 136 Ų | 136 | 149.4 Ų | 149.4 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | -10.6 | -178.4 | -67.7 | -166.6 | -0.3 | 0 | 0 | 114.9 | T157 | T157-Q161 HydrophobicContact CG2-CG 4.33Š|
| 162 | T | 30.8 | Very low | 31.2 | Very low | 112 Ų | 112 | 153.4 Ų | 153.4 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -3.4 | -178.6 | 44.8 | 0 | 0 | 0 | 0 | 115.2 | E158 | E158-T162 WeakPolarHBondContact O-CG2 3.41Å; E158-T162 PolarHBondContact O-OG1 2.95Å |
| 163 | K | 33.3 | Very low | 30.9 | Very low | 188 Ų | 188 | 148.3 Ų | 148.3 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 2.8 | 171.8 | -118 | 177.6 | -176.2 | 176.5 | 0 | 115.3 | ||
| 164 | K | 30.1 | Very low | 30.7 | Very low | 193 Ų | 193 | 148.5 Ų | 148.5 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -88.9 | 3.4 | 178.3 | -106.7 | 179.6 | 178.2 | 176.6 | 0 | 115.2 | ||
| 165 | H | 27.3 | Very low | 30.9 | Very low | 163 Ų | 163 | 147.6 Ų | 147.6 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -142.6 | 82.9 | 176.6 | -99.1 | -54.3 | 0 | 0 | 0 | 113.1 | ||||
| 166 | S | 30.9 | Very low | 30.6 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | -154.3 | 82.3 | 145.9 | -84.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 167 | R | 30.1 | Very low | 30.5 | Very low | 221 Ų | 221 | 149.1 Ų | 149.1 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | 58.7 | 105.6 | 98.4 | -74.1 | -172.4 | 178.3 | 170.5 | 1.5 | 111.8 | |||||
| 168 | K | 26.8 | Very low | 30.1 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | 19.3 | 109.6 | 144.8 | -82.1 | 179.9 | 163.9 | -172.3 | 0 | 115.2 | ||||
| 169 | F | 28.9 | Very low | 29.9 | Very low | 213 Ų | 213 | 147.5 Ų | 147.5 | 93% | 0.934 | 75% | 0.754 | S | S | * | * | trans | -108.1 | 108.6 | 140.6 | -105.4 | -89.1 | 0 | 0 | 0 | 107.3 | L171 | F169-L171 PolarHBondContact O-N 2.99Š| ||
| 170 | D | 29.3 | Very low | 29.4 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 56% | 0.561 | 76% | 0.755 | S | S | * | * | trans | -63.1 | 127.4 | 178.1 | -71.2 | -47.2 | 0 | 0 | 0 | 110.2 | F172 | D170-F172 PolarHBondContact O-N 3.24Š| ||
| 171 | L | 27.5 | Very low | 29.1 | Very low | 151 Ų | 151 | 147 Ų | 147 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -4.8 | 107 | 138.8 | -135.7 | 85 | 0 | 0 | 0 | 114.8 | F169 | F169-L171 PolarHBondContact O-N 2.99Š| ||
| 172 | F | 29.9 | Very low | 28.9 | Very low | 209 Ų | 209 | 148.9 Ų | 148.9 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | trans | -107 | 83.4 | 152.2 | -81.5 | -77.7 | 0 | 0 | 0 | 108.7 | D170 | D170-F172 PolarHBondContact O-N 3.24Š| ||
| 173 | S | 27.1 | Very low | 28.6 | Very low | 72 Ų | 72 | 150.2 Ų | 150.2 | 50% | 0.503 | 77% | 0.766 | S | S | . | * | trans | -74.3 | 140.4 | 151.6 | 41.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 174 | N | 28 | Very low | 28.4 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 92.7 | 104.9 | 153.7 | -59.4 | -10.2 | 0 | 0 | 0 | 118.4 | ||||
| 175 | T | 31.4 | Very low | 28.3 | Very low | 115 Ų | 115 | 146.7 Ų | 146.7 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | 82.2 | 103.4 | 118.7 | -45.1 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 176 | S | 27.2 | Very low | 28.4 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | trans | 72.3 | 147.8 | 140.5 | 72.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 177 | I | 31 | Very low | 28.2 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | 94.3 | 82.4 | 163.3 | -45.2 | 160.2 | 0 | 0 | 0 | 115.2 | ||||
| 178 | S | 24.6 | Very low | 28.2 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | 16.9 | 116.2 | 122.2 | 166.8 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 179 | S | 28.8 | Very low | 28.4 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | 143 | 128.2 | 112.3 | 59.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 180 | Q | 28.6 | Very low | 28.4 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | 36.5 | 110.6 | 150 | -59.7 | -179.2 | -1.8 | 0 | 0 | 117.4 | ||||
| 181 | L | 28.1 | Very low | 28.4 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | -170.9 | 128.4 | 123.6 | -120.3 | 86.4 | 0 | 0 | 0 | 112.2 | |||||
| 182 | K | 27.1 | Very low | 28.5 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | 61.1 | 104.5 | 146.9 | -71.2 | 179.4 | -177.4 | 176.7 | 0 | 119.7 | T184 | K182-T184 PolarHBondContact O-N 2.91Š| ||
| 183 | T | 25.1 | Very low | 28.7 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | trans | -36.8 | 118.1 | 141 | 11.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 184 | T | 29.3 | Very low | 29.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -114.4 | 106.6 | 155.8 | 12.8 | 0 | 0 | 0 | 0 | 107.5 | K182 I186 | K182-T184 PolarHBondContact O-N 2.91Å; T184-I186 PolarHBondContact O-N 3.5Å | ||
| 185 | Q | 27.5 | Very low | 29.7 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | -64.1 | 115.8 | 164.5 | -73.1 | 176.8 | -31.5 | 0 | 0 | 107.8 | Q187 | Q185-Q187 PolarHBondContact O-N 3.4Š| ||
| 186 | I | 29.4 | Very low | 30.1 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | trans | -88.1 | 93.9 | 166 | -60.8 | 177 | 0 | 0 | 0 | 106.2 | T184 H188 | T184-I186 PolarHBondContact O-N 3.5Å; I186-H188 PolarHBondContact O-N 3.47Å | ||
| 187 | Q | 27 | Very low | 30.7 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | -70.7 | 100.8 | 168.3 | -132.5 | 172.2 | -18.5 | 0 | 0 | 107.2 | Q185 H189 | Q185-Q187 PolarHBondContact O-N 3.4Å; Q187-H189 PolarHBondContact O-N 2.9Å | ||
| 188 | H | 30.3 | Very low | 30.9 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | -82.3 | 109.4 | 166 | -87 | -67.3 | 0 | 0 | 0 | 108.8 | I186 | I186-H188 PolarHBondContact O-N 3.47Š| ||
| 189 | H | 30.4 | Very low | 31.5 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | trans | -55.9 | 130.6 | 176.5 | -158.6 | -83.9 | 0 | 0 | 0 | 111 | Q187 N191 | Q187-H189 PolarHBondContact O-N 2.9Å; H189-N191 PolarHBondContact O-N 3.11Å | ||
| 190 | L | 28.6 | Very low | 32.2 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | trans | -49.5 | 129 | 165.3 | -79 | 140.3 | 0 | 0 | 0 | 110 | ||||
| 191 | N | 29.6 | Very low | 32.7 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | trans | -113.4 | 108.5 | 151 | -116.8 | 8.6 | 0 | 0 | 0 | 106.3 | H189 S193 | H189-N191 PolarHBondContact O-N 3.11Å; N191-S193 PolarHBondContact O-N 2.9Å; N191-S193 VanDerWaalsContact O-N 3.13Å | ||
| 192 | D | 29.2 | Very low | 33.3 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | trans | -64.3 | 101.7 | 174.7 | -76.3 | -44.8 | 0 | 0 | 0 | 110.2 | ||||
| 193 | S | 34.1 | Very low | 34 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | trans | -132.8 | 13.4 | 159.3 | 70.4 | 0 | 0 | 0 | 0 | 112.4 | N191 N195 | N191-S193 PolarHBondContact O-N 2.9Å; N191-S193 VanDerWaalsContact O-N 3.13Å; S193-N195 PolarHBondContact O-N 3.31Å | ||
| 194 | S | 39.2 | Very low | 35.1 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 51% | 0.51 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -81.7 | -6 | -171.5 | 52 | 0 | 0 | 0 | 0 | 115.1 | ||
| 195 | N | 37.3 | Very low | 36 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -94.3 | -10.5 | -176.5 | -69.7 | -26.3 | 0 | 0 | 0 | 115 | S193 | S193-N195 PolarHBondContact O-N 3.31Å |
| 196 | I | 40.4 | Very low | 36.9 | Very low | 145 Ų | 145 | 134 Ų | 134 | 74% | 0.744 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -91.5 | -26.7 | 175.6 | -59.5 | 177.4 | 0 | 0 | 0 | 111.4 | ||
| 197 | L | 38.8 | Very low | 37.6 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.1 | -32.1 | 178.9 | -154.2 | 76.1 | 0 | 0 | 0 | 112.9 | N199 Q200 E201 | L197-N199 VanDerWaalsContact C-N 3.31Å; L197-N199 PolarHBondContact O-N 3.14Å; L197-Q200 PolarHBondContact O-N 3.1Å; L197-E201 PolarHBondContact O-N 2.93Å |
| 198 | R | 36.3 | Very low | 38.8 | Very low | 183 Ų | 183 | 131.5 Ų | 131.5 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.1 | -26.4 | -176.6 | -116.4 | 179.7 | 179.9 | 179.7 | -0.4 | 114.3 | ||
| 199 | N | 36.9 | Very low | 39.9 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 66% | 0.663 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -84.3 | -20.7 | 177.6 | -75.7 | -13.1 | 0 | 0 | 0 | 113.2 | L197 | L197-N199 VanDerWaalsContact C-N 3.31Å; L197-N199 PolarHBondContact O-N 3.14Å |
| 200 | Q | 42.1 | Very low | 41.2 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 62% | 0.621 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -76.6 | -30.8 | 168.5 | -93.9 | 179 | -36.7 | 0 | 0 | 111.9 | L197 Y202 N203 T204 | L197-Q200 PolarHBondContact O-N 3.1Å; Q200-Y202 VanDerWaalsContact C-N 3.32Å; Q200-Y202 PolarHBondContact O-N 2.81Å; Q200-N203 PolarHBondContact O-N 3.37Å; Q200-T204 PolarHBondContact O-N 3.41Å; Q200-T204 PolarHBondContact O-OG1 3.05Å |
| 201 | E | 40.8 | Very low | 42.7 | Very low | 73 Ų | 73 | 123.7 Ų | 123.7 | 34% | 0.341 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.3 | -26.5 | -179.9 | -147.7 | -170.6 | 137.7 | 0 | 0 | 113.7 | L197 T204 K205 | L197-E201 PolarHBondContact O-N 2.93Å; E201-T204 PolarHBondContact O-OG1 3.42Å; E201-K205 WeakPolarHBondContact O-CB 3.36Å; E201-K205 PolarHBondContact O-N 3.13Å; E201-K205 IonicContact OE1-NZ 2.82Å; E201-K205 PolarHBondContact OE1-NZ 3.42Å |
| 202 | Y | 40.8 | Very low | 44.2 | Very low | 185 Ų | 185 | 120.7 Ų | 120.7 | 73% | 0.725 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75.5 | -33.8 | 177.1 | -142.2 | -92.2 | 0 | 0 | 0 | 112.4 | Q200 | Q200-Y202 VanDerWaalsContact C-N 3.32Å; Q200-Y202 PolarHBondContact O-N 2.81Å |
| 203 | N | 41.6 | Very low | 45.7 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 66% | 0.658 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -82.5 | -23.4 | 179.5 | -74.6 | -25.9 | 0 | 0 | 0 | 113.1 | Q200 | Q200-N203 PolarHBondContact O-N 3.37Å |
| 204 | T | 48 | Very low | 47.1 | Very low | 68 Ų | 68 | 121.6 Ų | 121.6 | 42% | 0.417 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -84.8 | -33.1 | 175.5 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | Q200 E201 Q206 R207 S208 | Q200-T204 PolarHBondContact O-N 3.41Å; Q200-T204 PolarHBondContact O-OG1 3.05Å; E201-T204 PolarHBondContact O-OG1 3.42Å; T204-Q206 VanDerWaalsContact C-N 3.27Å; T204-Q206 PolarHBondContact O-N 3.27Å; T204-R207 PolarHBondContact O-N 3.09Å; T204-R207 VanDerWaalsContact O-N 3.15Å; T204-S208 PolarHBondContact O-N 3.39Å |
| 205 | K | 47.1 | Very low | 48.3 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.8 | -31.3 | 175.6 | -96.4 | 172.3 | 172.6 | 148.2 | 0 | 113.8 | E201 R207 S208 | E201-K205 WeakPolarHBondContact O-CB 3.36Å; E201-K205 PolarHBondContact O-N 3.13Å; E201-K205 IonicContact OE1-NZ 2.82Å; E201-K205 PolarHBondContact OE1-NZ 3.42Å; K205-R207 VanDerWaalsContact C-N 3.32Å; K205-R207 PolarHBondContact O-N 3.06Å; K205-S208 PolarHBondContact O-OG 3.4Å |
| 206 | Q | 46.2 | Very low | 49.7 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 70% | 0.696 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -77.4 | -19.4 | 179.6 | -150.5 | 168.9 | 13.8 | 0 | 0 | 113.1 | T204 | T204-Q206 VanDerWaalsContact C-N 3.27Å; T204-Q206 PolarHBondContact O-N 3.27Å |
| 207 | R | 45.6 | Very low | 51.2 | Low | 215 Ų | 215 | 122.6 Ų | 122.6 | 81% | 0.811 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -94 | -19 | 176.1 | -153.2 | 173.4 | -171.5 | 178.3 | 1.4 | 112.9 | T204 K205 | T204-R207 PolarHBondContact O-N 3.09Å; T204-R207 VanDerWaalsContact O-N 3.15Å; K205-R207 VanDerWaalsContact C-N 3.32Å; K205-R207 PolarHBondContact O-N 3.06Å |
| 208 | S | 52.4 | Low | 52.8 | Low | 46 Ų | 46 | 121.5 Ų | 121.5 | 32% | 0.322 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -86.2 | -19.2 | -178.3 | 76.9 | 0 | 0 | 0 | 0 | 114.7 | T204 K205 W210 I211 | T204-S208 PolarHBondContact O-N 3.39Å; K205-S208 PolarHBondContact O-OG 3.4Å; S208-W210 VanDerWaalsContact C-N 3.3Å; S208-W210 PolarHBondContact O-N 3.47Å; S208-I211 PolarHBondContact O-N 3.15Å |
| 209 | S | 53.6 | Low | 54.9 | Low | 46 Ų | 46 | 116.2 Ų | 116.2 | 32% | 0.322 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.1 | -37.6 | -176.9 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | I211 E212 Y213 | S209-I211 VanDerWaalsContact C-N 3.31Å; S209-I211 PolarHBondContact O-N 3.36Å; S209-E212 PolarHBondContact O-N 3.19Å; S209-Y213 WeakPolarHBondContact O-CD2 3.22Å; S209-Y213 VanDerWaalsContact O-CE2 3.24Å; S209-Y213 WeakPolarHBondContact O-CE2 3.02Å |
| 210 | W | 56.3 | Low | 56.8 | Low | 184 Ų | 184 | 113 Ų | 113 | 70% | 0.697 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71 | -22.2 | -179.2 | -67.8 | 94.3 | 0 | 0 | 0 | 114.6 | S208 E212 Y213 | S208-W210 VanDerWaalsContact C-N 3.3Å; S208-W210 PolarHBondContact O-N 3.47Å; W210-E212 VanDerWaalsContact C-N 3.34Å; W210-Y213 PolarHBondContact O-N 3.48Å |
| 211 | I | 60.9 | Low | 58.7 | Low | 95 Ų | 95 | 109.6 Ų | 109.6 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.7 | -32.4 | 178.9 | -79.6 | 162 | 0 | 0 | 0 | 110.9 | S208 S209 Y213 R214 | S208-I211 PolarHBondContact O-N 3.15Å; S209-I211 VanDerWaalsContact C-N 3.31Å; S209-I211 PolarHBondContact O-N 3.36Å; I211-Y213 VanDerWaalsContact C-N 3.28Å; I211-Y213 PolarHBondContact O-N 3.42Å; I211-R214 WeakPolarHBondContact O-CB 3.24Å; I211-R214 PolarHBondContact O-N 3Å |
| 212 | E | 59.8 | Low | 60.6 | Low | 95 Ų | 95 | 111.1 Ų | 111.1 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.5 | -27.3 | 178.4 | -66.6 | 178.5 | 178.7 | 0 | 0 | 112.3 | F107 S209 W210 R214 | F107-E212 HydrophobicContact CE2-CG 4.45Å; F107-E212 HydrophobicContact CZ-CB 4.47Å; F107-E212 HydrophobicContact CZ-CG 4.29Å; S209-E212 PolarHBondContact O-N 3.19Å; W210-E212 VanDerWaalsContact C-N 3.34Å; E212-R214 VanDerWaalsContact C-N 3.29Å; E212-R214 PolarHBondContact O-N 3.32Å |
| 213 | Y | 62.4 | Low | 62.7 | Low | 124 Ų | 124 | 104.6 Ų | 104.6 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 1.5 | 175.9 | -58.9 | -80.2 | 0 | 0 | 0 | 113.7 | S209 W210 I211 L215 L216 F217 | S209-Y213 WeakPolarHBondContact O-CD2 3.22Å; S209-Y213 VanDerWaalsContact O-CE2 3.24Å; S209-Y213 WeakPolarHBondContact O-CE2 3.02Å; W210-Y213 PolarHBondContact O-N 3.48Å; I211-Y213 VanDerWaalsContact C-N 3.28Å; I211-Y213 PolarHBondContact O-N 3.42Å; Y213-L215 PolarHBondContact O-N 3.4Å; Y213-L216 HydrophobicContact CD1-CD1 3.67Å; Y213-L216 HydrophobicContact CE1-CD1 4.46Å; Y213-L216 WeakPolarHBondContact O-CB 3.47Å; Y213-L216 PolarHBondContact O-N 3.43Å; Y213-F217 VanDerWaalsContact O-CD2 3.28Å; Y213-F217 WeakPolarHBondContact O-CD2 3.28Å |
| 214 | R | 63.3 | Low | 64.7 | Low | 122 Ų | 122 | 104.8 Ų | 104.8 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58 | -34.5 | -178.3 | -165.5 | 173.4 | -177.7 | -168.4 | -3.2 | 112.5 | F17 I211 E212 L216 F217 | F17-R214 HydrophobicContact CD1-CG 4.32Å; F17-R214 VanDerWaalsContact CD2-NH2 3.32Å; F17-R214 HydrophobicContact CE1-CG 3.39Å; F17-R214 VanDerWaalsContact CG-NH2 3.26Å; F17-R214 HydrophobicContact CZ-CG 3.91Å; I211-R214 WeakPolarHBondContact O-CB 3.24Å; I211-R214 PolarHBondContact O-N 3Å; E212-R214 VanDerWaalsContact C-N 3.29Å; E212-R214 PolarHBondContact O-N 3.32Å; R214-L216 VanDerWaalsContact C-N 3.3Å; R214-L216 PolarHBondContact O-N 3.34Å; R214-F217 PolarHBondContact O-N 2.86Å |
| 215 | L | 64.6 | Low | 66.4 | Low | 149 Ų | 149 | 107.1 Ų | 107.1 | 78% | 0.78 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.6 | -30.1 | 177.8 | -157.2 | 87.7 | 0 | 0 | 0 | 112.7 | Y213 P219 | Y213-L215 PolarHBondContact O-N 3.4Å; L215-P219 WeakPolarHBondContact O-CD 3.33Å |
| 216 | L | 65.9 | Low | 68.1 | Low | 106 Ų | 106 | 104.9 Ų | 104.9 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -78.2 | -19 | -178.8 | -73.8 | 156.6 | 0 | 0 | 0 | 113.1 | Y213 R214 L218 P219 A220 | Y213-L216 HydrophobicContact CD1-CD1 3.67Å; Y213-L216 HydrophobicContact CE1-CD1 4.46Å; Y213-L216 WeakPolarHBondContact O-CB 3.47Å; Y213-L216 PolarHBondContact O-N 3.43Å; R214-L216 VanDerWaalsContact C-N 3.3Å; R214-L216 PolarHBondContact O-N 3.34Å; L216-L218 VanDerWaalsContact C-N 3.35Å; L216-L218 PolarHBondContact O-N 3.47Å; L216-P219 WeakPolarHBondContact O-CD 3.34Å; L216-P219 WeakPolarHBondContact O-CG 3.22Å; L216-A220 WeakPolarHBondContact O-CB 3.28Å; L216-A220 PolarHBondContact O-N 3.45Å; L216-A220 VanDerWaalsContact O-N 3.15Å |
| 217 | F | 71.3 | Confident | 69.9 | Low | 104 Ų | 104 | 102.6 Ų | 102.6 | 46% | 0.456 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.4 | -31.5 | 178.1 | -80 | -81.4 | 0 | 0 | 0 | 113.1 | Y213 R214 T221 | Y213-F217 VanDerWaalsContact O-CD2 3.28Å; Y213-F217 WeakPolarHBondContact O-CD2 3.28Å; R214-F217 PolarHBondContact O-N 2.86Å; F217-T221 WeakPolarHBondContact O-CB 3.44Å; F217-T221 VanDerWaalsContact O-CG2 3.22Å; F217-T221 WeakPolarHBondContact O-CG2 3.39Å; F217-T221 PolarHBondContact O-N 3.06Å; F217-T221 PolarHBondContact O-OG1 3.26Å |
| 218 | L | 73.3 | Confident | 71.7 | Confident | 100 Ų | 100 | 95.2 Ų | 95.2 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -53.4 | 179.2 | -134.2 | 101.5 | 0 | 0 | 0 | 112.7 | L216 A220 T221 L222 | L216-L218 VanDerWaalsContact C-N 3.35Å; L216-L218 PolarHBondContact O-N 3.47Å; L218-A220 VanDerWaalsContact C-N 3.33Å; L218-A220 PolarHBondContact O-N 2.98Å; L218-T221 PolarHBondContact O-N 3.29Å; L218-T221 PolarHBondContact O-OG1 3.22Å; L218-L222 WeakPolarHBondContact O-CB 3.26Å; L218-L222 WeakPolarHBondContact O-CG 3.43Å; L218-L222 PolarHBondContact O-N 2.89Å |
| 219 | P | 79.7 | Confident | 73 | Confident | 72 Ų | 72 | 94.5 Ų | 94.5 | 47% | 0.468 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.9 | -35.3 | 175.4 | 24.6 | -32.2 | 0 | 0 | 0 | 112 | L215 L216 L222 A223 | L215-P219 WeakPolarHBondContact O-CD 3.33Å; L216-P219 WeakPolarHBondContact O-CD 3.34Å; L216-P219 WeakPolarHBondContact O-CG 3.22Å; P219-L222 PolarHBondContact O-N 2.9Å; P219-A223 VanDerWaalsContact O-CB 3.27Å; P219-A223 WeakPolarHBondContact O-CB 3.3Å; P219-A223 PolarHBondContact O-N 2.85Å |
| 220 | A | 76.9 | Confident | 74.3 | Confident | 56 Ų | 56 | 96.9 Ų | 96.9 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L216 L218 A223 F224 | L216-A220 WeakPolarHBondContact O-CB 3.28Å; L216-A220 PolarHBondContact O-N 3.45Å; L216-A220 VanDerWaalsContact O-N 3.15Å; L218-A220 VanDerWaalsContact C-N 3.33Å; L218-A220 PolarHBondContact O-N 2.98Å; A220-A223 PolarHBondContact O-N 3.32Å; A220-F224 WeakPolarHBondContact O-CB 3.16Å; A220-F224 PolarHBondContact O-N 2.86Å |
| 221 | T | 81.8 | Confident | 75.4 | Confident | 63 Ų | 63 | 93.8 Ų | 93.8 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -41.3 | 176.3 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | F217 L218 A223 F224 F225 | F217-T221 WeakPolarHBondContact O-CB 3.44Å; F217-T221 VanDerWaalsContact O-CG2 3.22Å; F217-T221 WeakPolarHBondContact O-CG2 3.39Å; F217-T221 PolarHBondContact O-N 3.06Å; F217-T221 PolarHBondContact O-OG1 3.26Å; L218-T221 PolarHBondContact O-N 3.29Å; L218-T221 PolarHBondContact O-OG1 3.22Å; T221-A223 VanDerWaalsContact C-N 3.35Å; T221-A223 PolarHBondContact O-N 3.4Å; T221-F224 PolarHBondContact O-N 3.48Å; T221-F225 WeakPolarHBondContact O-CD2 3.41Å; T221-F225 PolarHBondContact O-N 2.86Å |
| 222 | L | 82.1 | Confident | 76.2 | Confident | 104 Ų | 104 | 94.7 Ų | 94.7 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 172.4 | -81 | 165.6 | 0 | 0 | 0 | 111.5 | L218 P219 F224 F225 T226 | L218-L222 WeakPolarHBondContact O-CB 3.26Å; L218-L222 WeakPolarHBondContact O-CG 3.43Å; L218-L222 PolarHBondContact O-N 2.89Å; P219-L222 PolarHBondContact O-N 2.9Å; L222-F224 VanDerWaalsContact C-N 3.32Å; L222-F224 PolarHBondContact O-N 3.08Å; L222-F225 PolarHBondContact O-N 2.75Å; L222-T226 VanDerWaalsContact O-CG2 3.3Å; L222-T226 WeakPolarHBondContact O-CG2 3.2Å; L222-T226 PolarHBondContact O-N 3.43Å; L222-T226 PolarHBondContact O-OG1 3.33Å |
| 223 | A | 84.5 | Confident | 76.9 | Confident | 48 Ų | 48 | 94.3 Ų | 94.3 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P219 A220 T221 T226 L227 | P219-A223 VanDerWaalsContact O-CB 3.27Å; P219-A223 WeakPolarHBondContact O-CB 3.3Å; P219-A223 PolarHBondContact O-N 2.85Å; A220-A223 PolarHBondContact O-N 3.32Å; T221-A223 VanDerWaalsContact C-N 3.35Å; T221-A223 PolarHBondContact O-N 3.4Å; A223-T226 WeakPolarHBondContact CA-OG1 3.3Å; A223-T226 PolarHBondContact O-N 3.1Å; A223-T226 PolarHBondContact O-OG1 3.41Å; A223-L227 WeakPolarHBondContact O-CG 3.45Å; A223-L227 PolarHBondContact O-N 3.15Å |
| 224 | F | 82.8 | Confident | 77.3 | Confident | 128 Ų | 128 | 93.6 Ų | 93.6 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.9 | -42.9 | 176 | -171.1 | -104.4 | 0 | 0 | 0 | 112.1 | A220 T221 L222 L227 I228 | A220-F224 WeakPolarHBondContact O-CB 3.16Å; A220-F224 PolarHBondContact O-N 2.86Å; T221-F224 PolarHBondContact O-N 3.48Å; L222-F224 VanDerWaalsContact C-N 3.32Å; L222-F224 PolarHBondContact O-N 3.08Å; F224-L227 PolarHBondContact O-N 3.3Å; F224-I228 HydrophobicContact CD1-CD1 3.64Å; F224-I228 HydrophobicContact CE1-CD1 3.26Å; F224-I228 HydrophobicContact CE1-CG1 4.32Å; F224-I228 HydrophobicContact CG-CD1 4.48Å; F224-I228 HydrophobicContact CZ-CD1 3.8Å; F224-I228 WeakPolarHBondContact O-CG1 3.27Å; F224-I228 PolarHBondContact O-N 3.42Å |
| 225 | F | 83.4 | Confident | 77.6 | Confident | 116 Ų | 116 | 91.1 Ų | 91.1 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -35.3 | 175.6 | -76 | -62.7 | 0 | 0 | 0 | 112.8 | T10 T221 L222 I228 G229 | T10-F225 HydrophobicContact CG2-CZ 4.44Å; T221-F225 WeakPolarHBondContact O-CD2 3.41Å; T221-F225 PolarHBondContact O-N 2.86Å; L222-F225 PolarHBondContact O-N 2.75Å; F225-I228 PolarHBondContact O-N 3.36Å; F225-G229 PolarHBondContact O-N 3.43Å |
| 226 | T | 83.3 | Confident | 77.5 | Confident | 80 Ų | 80 | 85.9 Ų | 85.9 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 174.6 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | L222 A223 G229 I230 | L222-T226 VanDerWaalsContact O-CG2 3.3Å; L222-T226 WeakPolarHBondContact O-CG2 3.2Å; L222-T226 PolarHBondContact O-N 3.43Å; L222-T226 PolarHBondContact O-OG1 3.33Å; A223-T226 WeakPolarHBondContact CA-OG1 3.3Å; A223-T226 PolarHBondContact O-N 3.1Å; A223-T226 PolarHBondContact O-OG1 3.41Å; T226-G229 PolarHBondContact O-N 2.69Å; T226-I230 WeakPolarHBondContact O-CB 3.45Å; T226-I230 WeakPolarHBondContact O-CD1 3.07Å; T226-I230 WeakPolarHBondContact O-CG1 3.43Å; T226-I230 PolarHBondContact O-N 3.46Å |
| 227 | L | 84.6 | Confident | 77.4 | Confident | 102 Ų | 102 | 89.4 Ų | 89.4 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 173.6 | -75.2 | 171.7 | 0 | 0 | 0 | 112.3 | A223 F224 I230 Q231 | A223-L227 WeakPolarHBondContact O-CG 3.45Å; A223-L227 PolarHBondContact O-N 3.15Å; F224-L227 PolarHBondContact O-N 3.3Å; L227-I230 PolarHBondContact O-N 3.39Å; L227-Q231 WeakPolarHBondContact O-CG 3.22Å; L227-Q231 PolarHBondContact O-N 3.24Å |
| 228 | I | 82.8 | Confident | 77 | Confident | 60 Ų | 60 | 90 Ų | 90 | 31% | 0.308 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 174.7 | -69.4 | 170.9 | 0 | 0 | 0 | 110.8 | F224 F225 I230 Q231 I232 | F224-I228 HydrophobicContact CD1-CD1 3.64Å; F224-I228 HydrophobicContact CE1-CD1 3.26Å; F224-I228 HydrophobicContact CE1-CG1 4.32Å; F224-I228 HydrophobicContact CG-CD1 4.48Å; F224-I228 HydrophobicContact CZ-CD1 3.8Å; F224-I228 WeakPolarHBondContact O-CG1 3.27Å; F224-I228 PolarHBondContact O-N 3.42Å; F225-I228 PolarHBondContact O-N 3.36Å; I228-I230 PolarHBondContact O-N 3.48Å; I228-Q231 PolarHBondContact O-N 3.33Å; I228-I232 HydrophobicContact CG2-CD1 3.74Å; I228-I232 HydrophobicContact CG2-CG1 4.35Å; I228-I232 VanDerWaalsContact O-CG1 3.28Å; I228-I232 WeakPolarHBondContact O-CG1 3.44Å; I228-I232 PolarHBondContact O-N 2.93Å |
| 229 | G | 79.2 | Confident | 76.1 | Confident | 30 Ų | 30 | 90 Ų | 90 | 31% | 0.309 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F225 T226 I232 V233 | F225-G229 PolarHBondContact O-N 3.43Å; T226-G229 PolarHBondContact O-N 2.69Å; G229-I232 PolarHBondContact O-N 3.02Å; G229-V233 WeakPolarHBondContact O-CG2 3.42Å; G229-V233 PolarHBondContact O-N 3.03Å |
| 230 | I | 82.2 | Confident | 74.8 | Confident | 96 Ų | 96 | 90.6 Ų | 90.6 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 176.2 | -69.4 | 163.6 | 0 | 0 | 0 | 110.6 | T226 L227 I228 I232 V233 L234 | T226-I230 WeakPolarHBondContact O-CB 3.45Å; T226-I230 WeakPolarHBondContact O-CD1 3.07Å; T226-I230 WeakPolarHBondContact O-CG1 3.43Å; T226-I230 PolarHBondContact O-N 3.46Å; L227-I230 PolarHBondContact O-N 3.39Å; I228-I230 PolarHBondContact O-N 3.48Å; I230-I232 VanDerWaalsContact C-N 3.35Å; I230-I232 PolarHBondContact O-N 2.94Å; I230-V233 PolarHBondContact O-N 3.01Å; I230-L234 HydrophobicContact CG2-CD1 3.72Å; I230-L234 HydrophobicContact CG2-CG 4.26Å; I230-L234 WeakPolarHBondContact O-CB 3.32Å; I230-L234 WeakPolarHBondContact O-CG 3.35Å; I230-L234 PolarHBondContact O-N 3.17Å |
| 231 | Q | 78.5 | Confident | 73.9 | Confident | 120 Ų | 120 | 94.1 Ų | 94.1 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61 | -41.1 | 176.2 | -75 | 169.8 | -9.3 | 0 | 0 | 112.3 | L227 I228 L234 C235 | L227-Q231 WeakPolarHBondContact O-CG 3.22Å; L227-Q231 PolarHBondContact O-N 3.24Å; I228-Q231 PolarHBondContact O-N 3.33Å; Q231-L234 PolarHBondContact O-N 3.4Å; Q231-C235 VanDerWaalsContact O-CB 3.24Å; Q231-C235 WeakPolarHBondContact O-CB 3.47Å; Q231-C235 PolarHBondContact O-N 2.92Å; Q231-C235 PolarHBondContact O-SG 2.9Å |
| 232 | I | 77.3 | Confident | 72.9 | Confident | 114 Ų | 114 | 94.7 Ų | 94.7 | 59% | 0.585 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 176.6 | -68.5 | 166 | 0 | 0 | 0 | 111.1 | I228 G229 I230 G236 | I228-I232 HydrophobicContact CG2-CD1 3.74Å; I228-I232 HydrophobicContact CG2-CG1 4.35Å; I228-I232 VanDerWaalsContact O-CG1 3.28Å; I228-I232 WeakPolarHBondContact O-CG1 3.44Å; I228-I232 PolarHBondContact O-N 2.93Å; G229-I232 PolarHBondContact O-N 3.02Å; I230-I232 VanDerWaalsContact C-N 3.35Å; I230-I232 PolarHBondContact O-N 2.94Å; I232-G236 PolarHBondContact O-N 3.12Å |
| 233 | V | 75.5 | Confident | 71.8 | Confident | 87 Ų | 87 | 93.2 Ų | 93.2 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -45.6 | 178.3 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | G229 I230 G236 F237 | G229-V233 WeakPolarHBondContact O-CG2 3.42Å; G229-V233 PolarHBondContact O-N 3.03Å; I230-V233 PolarHBondContact O-N 3.01Å; V233-G236 PolarHBondContact O-N 3.44Å; V233-F237 HydrophobicContact CG1-CD2 4.12Å; V233-F237 HydrophobicContact CG1-CE2 4.36Å; V233-F237 PolarHBondContact O-N 3.24Å |
| 234 | L | 71 | Confident | 70.5 | Confident | 109 Ų | 109 | 93.3 Ų | 93.3 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.4 | -45.8 | 177.4 | -71.7 | 171.9 | 0 | 0 | 0 | 111.8 | I230 Q231 G236 F237 C238 | I230-L234 HydrophobicContact CG2-CD1 3.72Å; I230-L234 HydrophobicContact CG2-CG 4.26Å; I230-L234 WeakPolarHBondContact O-CB 3.32Å; I230-L234 WeakPolarHBondContact O-CG 3.35Å; I230-L234 PolarHBondContact O-N 3.17Å; Q231-L234 PolarHBondContact O-N 3.4Å; L234-G236 VanDerWaalsContact C-N 3.32Å; L234-G236 PolarHBondContact O-N 2.9Å; L234-F237 PolarHBondContact O-N 3.46Å; L234-C238 PolarHBondContact O-N 3.49Å; L234-C238 VanDerWaalsContact O-N 3.15Å |
| 235 | C | 68.8 | Low | 69.4 | Low | 69 Ų | 69 | 93.8 Ų | 93.8 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 173.9 | -73.5 | 0 | 0 | 0 | 0 | 111.2 | Q231 F237 C238 F239 | Q231-C235 VanDerWaalsContact O-CB 3.24Å; Q231-C235 WeakPolarHBondContact O-CB 3.47Å; Q231-C235 PolarHBondContact O-N 2.92Å; Q231-C235 PolarHBondContact O-SG 2.9Å; C235-F237 VanDerWaalsContact C-N 3.31Å; C235-F237 PolarHBondContact O-N 3.41Å; C235-C238 PolarHBondContact O-N 3.47Å; C235-F239 HydrophobicContact CB-CD2 4.48Å; C235-F239 HydrophobicContact CB-CE2 4.03Å; C235-F239 WeakPolarHBondContact O-CD2 3.14Å; C235-F239 PolarHBondContact O-N 3.31Å |
| 236 | G | 63.8 | Low | 68.3 | Low | 40 Ų | 40 | 95.6 Ų | 95.6 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -35.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | I232 V233 L234 | I232-G236 PolarHBondContact O-N 3.12Å; V233-G236 PolarHBondContact O-N 3.44Å; L234-G236 VanDerWaalsContact C-N 3.32Å; L234-G236 PolarHBondContact O-N 2.9Å |
| 237 | F | 63.2 | Low | 67.1 | Low | 180 Ų | 180 | 95.9 Ų | 95.9 | 79% | 0.789 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -75 | -29.4 | 175.2 | -97.9 | -84.6 | 0 | 0 | 0 | 113.5 | V233 L234 C235 | V233-F237 HydrophobicContact CG1-CD2 4.12Å; V233-F237 HydrophobicContact CG1-CE2 4.36Å; V233-F237 PolarHBondContact O-N 3.24Å; L234-F237 PolarHBondContact O-N 3.46Å; C235-F237 VanDerWaalsContact C-N 3.31Å; C235-F237 PolarHBondContact O-N 3.41Å |
| 238 | C | 62.7 | Low | 66.1 | Low | 115 Ų | 115 | 95.5 Ų | 95.5 | 78% | 0.777 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -82.5 | -11.6 | 176.5 | -75.6 | 0 | 0 | 0 | 0 | 114.2 | L234 C235 S240 | L234-C238 PolarHBondContact O-N 3.49Å; L234-C238 VanDerWaalsContact O-N 3.15Å; C235-C238 PolarHBondContact O-N 3.47Å; C238-S240 PolarHBondContact O-N 3.21Å |
| 239 | F | 53.3 | Low | 65 | Low | 101 Ų | 101 | 100.1 Ų | 100.1 | 44% | 0.443 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -83.7 | 108.3 | 177 | -77.5 | -62.7 | 0 | 0 | 0 | 111.2 | C235 N241 I243 | C235-F239 HydrophobicContact CB-CD2 4.48Å; C235-F239 HydrophobicContact CB-CE2 4.03Å; C235-F239 WeakPolarHBondContact O-CD2 3.14Å; C235-F239 PolarHBondContact O-N 3.31Å; F239-N241 PolarHBondContact O-N 3.47Å; F239-I243 HydrophobicContact CB-CB 4.46Å; F239-I243 HydrophobicContact CD1-CB 4.28Å; F239-I243 HydrophobicContact CD1-CD1 3.62Å; F239-I243 HydrophobicContact CD1-CG2 4.02Å; F239-I243 HydrophobicContact CE1-CD1 4.15Å; F239-I243 HydrophobicContact CG-CG2 4.37Å |
| 240 | S | 54.2 | Low | 63.8 | Low | 85 Ų | 85 | 102.4 Ų | 102.4 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | trans | -41.6 | 137.1 | 167.7 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | C238 S242 I243 | C238-S240 PolarHBondContact O-N 3.21Å; S240-S242 PolarHBondContact O-N 2.85Å; S240-I243 PolarHBondContact O-N 3.47Å | ||
| 241 | N | 57.6 | Low | 62.7 | Low | 130 Ų | 130 | 104.7 Ų | 104.7 | 70% | 0.695 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -44.7 | -22 | -176.1 | -81 | -24.2 | 0 | 0 | 0 | 115.1 | F239 T244 Q245 | F239-N241 PolarHBondContact O-N 3.47Å; N241-T244 WeakPolarHBondContact CA-OG1 3.28Å; N241-T244 PolarHBondContact O-OG1 3.21Å; N241-Q245 WeakPolarHBondContact O-CG 3.35Å; N241-Q245 PolarHBondContact O-N 3.01Å |
| 242 | S | 61.1 | Low | 61.6 | Low | 75 Ų | 75 | 106.2 Ų | 106.2 | 52% | 0.524 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.6 | -37 | 175.8 | -174.3 | 0 | 0 | 0 | 0 | 114.1 | S240 K246 | S240-S242 PolarHBondContact O-N 2.85Å; S242-K246 PolarHBondContact O-N 3.18Å |
| 243 | I | 58.6 | Low | 60.5 | Low | 73 Ų | 73 | 109 Ų | 109 | 37% | 0.374 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -80.9 | -38.5 | -177.7 | -65.6 | 166.1 | 0 | 0 | 0 | 110.7 | F239 S240 Q245 K246 L247 | F239-I243 HydrophobicContact CB-CB 4.46Å; F239-I243 HydrophobicContact CD1-CB 4.28Å; F239-I243 HydrophobicContact CD1-CD1 3.62Å; F239-I243 HydrophobicContact CD1-CG2 4.02Å; F239-I243 HydrophobicContact CE1-CD1 4.15Å; F239-I243 HydrophobicContact CG-CG2 4.37Å; S240-I243 PolarHBondContact O-N 3.47Å; I243-Q245 VanDerWaalsContact C-N 3.32Å; I243-Q245 PolarHBondContact O-N 3.22Å; I243-K246 PolarHBondContact O-N 3.13Å; I243-L247 HydrophobicContact CG2-CD1 4.14Å; I243-L247 WeakPolarHBondContact O-CG 3.32Å; I243-L247 PolarHBondContact O-N 3.01Å |
| 244 | T | 57 | Low | 59.3 | Low | 49 Ų | 49 | 109.6 Ų | 109.6 | 30% | 0.301 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.4 | -39.7 | 172.6 | 18.3 | 0 | 0 | 0 | 0 | 111.4 | N241 L247 I248 | N241-T244 WeakPolarHBondContact CA-OG1 3.28Å; N241-T244 PolarHBondContact O-OG1 3.21Å; T244-L247 PolarHBondContact O-N 3.38Å; T244-I248 WeakPolarHBondContact O-CB 3.46Å; T244-I248 WeakPolarHBondContact O-CD1 3.33Å; T244-I248 WeakPolarHBondContact O-CG1 3.4Å; T244-I248 PolarHBondContact O-N 3.48Å |
| 245 | Q | 59.1 | Low | 58.1 | Low | 138 Ų | 138 | 113 Ų | 113 | 65% | 0.645 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.8 | -36.6 | 173.4 | -73.8 | -163.4 | 14.9 | 0 | 0 | 113.7 | N241 I243 K249 | N241-Q245 WeakPolarHBondContact O-CG 3.35Å; N241-Q245 PolarHBondContact O-N 3.01Å; I243-Q245 VanDerWaalsContact C-N 3.32Å; I243-Q245 PolarHBondContact O-N 3.22Å; Q245-K249 PolarHBondContact O-N 2.86Å |
| 246 | K | 59.9 | Low | 56.8 | Low | 154 Ų | 154 | 118.2 Ų | 118.2 | 67% | 0.67 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.5 | -41.1 | 172.6 | -87.7 | -177.9 | 176.1 | 177.4 | 0 | 111.9 | S242 I243 K249 C250 | S242-K246 PolarHBondContact O-N 3.18Å; I243-K246 PolarHBondContact O-N 3.13Å; K246-K249 PolarHBondContact O-N 3.49Å; K246-C250 PolarHBondContact O-N 3.27Å |
| 247 | L | 59.7 | Low | 55.6 | Low | 86 Ų | 86 | 125.6 Ų | 125.6 | 45% | 0.45 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.3 | -44.1 | 176.2 | -74.6 | 169.6 | 0 | 0 | 0 | 111.6 | I243 T244 K249 C250 F251 | I243-L247 HydrophobicContact CG2-CD1 4.14Å; I243-L247 WeakPolarHBondContact O-CG 3.32Å; I243-L247 PolarHBondContact O-N 3.01Å; T244-L247 PolarHBondContact O-N 3.38Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.01Å; L247-C250 WeakPolarHBondContact O-CB 3.44Å; L247-C250 PolarHBondContact O-N 2.83Å; L247-C250 VanDerWaalsContact O-N 3.07Å; L247-F251 HydrophobicContact CB-CE2 4.47Å; L247-F251 WeakPolarHBondContact O-CD2 3.48Å; L247-F251 PolarHBondContact O-N 3.06Å |
| 248 | I | 62.5 | Low | 54.4 | Low | 94 Ų | 94 | 124.6 Ų | 124.6 | 48% | 0.482 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -60.8 | -37.9 | 175.5 | -68.1 | 163.4 | 0 | 0 | 0 | 111.1 | T244 F251 K252 | T244-I248 WeakPolarHBondContact O-CB 3.46Å; T244-I248 WeakPolarHBondContact O-CD1 3.33Å; T244-I248 WeakPolarHBondContact O-CG1 3.4Å; T244-I248 PolarHBondContact O-N 3.48Å; I248-F251 PolarHBondContact O-N 3.37Å; I248-K252 HydrophobicContact CG2-CD 4.4Å; I248-K252 WeakPolarHBondContact O-CB 3.49Å; I248-K252 WeakPolarHBondContact O-CG 3.24Å; I248-K252 PolarHBondContact O-N 2.87Å |
| 249 | K | 59.6 | Low | 52.9 | Low | 157 Ų | 157 | 126.2 Ų | 126.2 | 68% | 0.683 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.3 | -37.7 | 172.7 | -93.5 | -179.3 | 175.9 | 175.1 | 0 | 112.8 | Q245 K246 L247 K253 | Q245-K249 PolarHBondContact O-N 2.86Å; K246-K249 PolarHBondContact O-N 3.49Å; L247-K249 VanDerWaalsContact C-N 3.29Å; L247-K249 PolarHBondContact O-N 3.01Å; K249-K253 PolarHBondContact O-N 3.45Å; K249-K253 VanDerWaalsContact O-N 3.1Å |
| 250 | C | 55.1 | Low | 52 | Low | 79 Ų | 79 | 129.1 Ų | 129.1 | 53% | 0.534 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67 | -43.4 | 173.2 | -91.5 | 0 | 0 | 0 | 0 | 112.4 | K246 L247 K252 K253 C254 | K246-C250 PolarHBondContact O-N 3.27Å; L247-C250 WeakPolarHBondContact O-CB 3.44Å; L247-C250 PolarHBondContact O-N 2.83Å; L247-C250 VanDerWaalsContact O-N 3.07Å; C250-K252 PolarHBondContact O-N 2.85Å; C250-K253 PolarHBondContact O-N 3.46Å; C250-C254 PolarHBondContact O-N 3.21Å; C250-C254 PolarHBondContact O-SG 3.1Å |
| 251 | F | 57.7 | Low | 51 | Low | 144 Ų | 144 | 132.3 Ų | 132.3 | 63% | 0.632 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.8 | -32.7 | 177.5 | -75.6 | -69.5 | 0 | 0 | 0 | 112.9 | L247 I248 C254 K255 | L247-F251 HydrophobicContact CB-CE2 4.47Å; L247-F251 WeakPolarHBondContact O-CD2 3.48Å; L247-F251 PolarHBondContact O-N 3.06Å; I248-F251 PolarHBondContact O-N 3.37Å; F251-C254 PolarHBondContact O-N 3.49Å; F251-K255 PolarHBondContact O-N 2.9Å |
| 252 | K | 56 | Low | 49.7 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 66% | 0.661 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68 | -33.6 | 171.1 | -79.8 | -174.3 | 174.6 | -175.1 | 0 | 112.5 | I248 C250 K255 | I248-K252 HydrophobicContact CG2-CD 4.4Å; I248-K252 WeakPolarHBondContact O-CB 3.49Å; I248-K252 WeakPolarHBondContact O-CG 3.24Å; I248-K252 PolarHBondContact O-N 2.87Å; C250-K252 PolarHBondContact O-N 2.85Å; K252-K255 PolarHBondContact O-N 3.41Å |
| 253 | K | 53.5 | Low | 48.3 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.5 | -30.2 | 172.7 | -79.1 | -174.8 | 175 | -173.1 | 0 | 113.2 | K249 C250 | K249-K253 PolarHBondContact O-N 3.45Å; K249-K253 VanDerWaalsContact O-N 3.1Å; C250-K253 PolarHBondContact O-N 3.46Å |
| 254 | C | 50 | Low | 46.8 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 68% | 0.676 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -79.4 | -17.5 | 175.9 | -66.8 | 0 | 0 | 0 | 0 | 114 | C250 F251 H256 | C250-C254 PolarHBondContact O-N 3.21Å; C250-C254 PolarHBondContact O-SG 3.1Å; F251-C254 PolarHBondContact O-N 3.49Å; C254-H256 VanDerWaalsContact C-N 3.34Å |
| 255 | K | 46.6 | Very low | 45.7 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 78% | 0.778 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -1.6 | 175.7 | -79 | -171.4 | 174.3 | -172.5 | 0 | 114.8 | F251 K252 | F251-K255 PolarHBondContact O-N 2.9Å; K252-K255 PolarHBondContact O-N 3.41Å |
| 256 | H | 40.7 | Very low | 44.4 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 83% | 0.833 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 20.8 | 177.1 | -93.1 | -8.4 | 0 | 0 | 0 | 114.8 | C254 | C254-H256 VanDerWaalsContact C-N 3.34Š|
| 257 | K | 38.8 | Very low | 43 | Very low | 195 Ų | 195 | 146.6 Ų | 146.6 | 85% | 0.848 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -115.1 | 24.5 | 174.6 | -107 | -173.5 | 177.5 | -172.4 | 0 | 114.5 | ||
| 258 | H | 38.7 | Very low | 41.7 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | trans | -116.1 | 23.8 | -176.4 | -131.8 | -65 | 0 | 0 | 0 | 115.6 | ||||
| 259 | N | 31.9 | Very low | 40.2 | Very low | 149 Ų | 149 | 155.7 Ų | 155.7 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -116.3 | 129.5 | 163.8 | -70.5 | -4.4 | 0 | 0 | 0 | 107.8 | ||
| 260 | N | 33.7 | Very low | 39 | Very low | 162 Ų | 162 | 156.3 Ų | 156.3 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | trans | 96.3 | 33.2 | -176.4 | -53 | -3.6 | 0 | 0 | 0 | 116.8 | ||||
| 261 | L | 32.9 | Very low | 37.9 | Very low | 152 Ų | 152 | 160.3 Ų | 160.3 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | -93 | 82.8 | 147.3 | -140.8 | 80.5 | 0 | 0 | 0 | 107.1 | L263 | L261-L263 PolarHBondContact O-N 2.96Š| ||
| 262 | E | 31.4 | Very low | 36.8 | Very low | 168 Ų | 168 | 162 Ų | 162 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -51.9 | 111.5 | 157.2 | -100.1 | 179.6 | 154.6 | 0 | 0 | 106.5 | Q264 | E262-Q264 PolarHBondContact O-N 3.3Š| ||
| 263 | L | 30.3 | Very low | 35.7 | Very low | 144 Ų | 144 | 159.7 Ų | 159.7 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -66.8 | 86.3 | 162.5 | -144.9 | 85.7 | 0 | 0 | 0 | 105.3 | L261 T265 | L261-L263 PolarHBondContact O-N 2.96Å; L263-T265 HydrophobicContact CD2-CG2 4.06Å; L263-T265 PolarHBondContact O-N 2.91Å | ||
| 264 | Q | 28.7 | Very low | 34.8 | Very low | 164 Ų | 164 | 158.5 Ų | 158.5 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -61.4 | 83.6 | 160.9 | -92.5 | -174.1 | -9.2 | 0 | 0 | 107 | E262 N266 | E262-Q264 PolarHBondContact O-N 3.3Å; Q264-N266 PolarHBondContact O-N 3.44Å; Q264-N266 VanDerWaalsContact O-N 3.15Å | ||
| 265 | T | 32.7 | Very low | 34 | Very low | 101 Ų | 101 | 161.8 Ų | 161.8 | 62% | 0.62 | 79% | 0.788 | S | S | * | * | trans | -68.4 | 105.6 | 157.9 | 46.7 | 0 | 0 | 0 | 0 | 106.6 | L263 H267 | L263-T265 HydrophobicContact CD2-CG2 4.06Å; L263-T265 PolarHBondContact O-N 2.91Å; T265-H267 PolarHBondContact O-N 3.28Å | ||
| 266 | N | 31.9 | Very low | 33.2 | Very low | 152 Ų | 152 | 163.8 Ų | 163.8 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -29.8 | 94.5 | 172.5 | -65.3 | -42.1 | 0 | 0 | 0 | 113.8 | Q264 | Q264-N266 PolarHBondContact O-N 3.44Å; Q264-N266 VanDerWaalsContact O-N 3.15Å | ||
| 267 | H | 31.4 | Very low | 32.9 | Very low | 190 Ų | 190 | 164.8 Ų | 164.8 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | -107.2 | 66.3 | 155.6 | -88.9 | -62.4 | 0 | 0 | 0 | 108.8 | T265 | T265-H267 PolarHBondContact O-N 3.28Š| ||
| 268 | M | 30.7 | Very low | 32.7 | Very low | 169 Ų | 169 | 162.6 Ų | 162.6 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | trans | -132.8 | 103.9 | 152.4 | -91 | -140.6 | 99.5 | 0 | 0 | 105.4 | ||||
| 269 | Y | 31.9 | Very low | 32.4 | Very low | 202 Ų | 202 | 161.7 Ų | 161.7 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -168.5 | 106 | 135.6 | -116.8 | -93.8 | 0 | 0 | 0 | 109.7 | ||
| 270 | K | 34.7 | Very low | 32.4 | Very low | 170 Ų | 170 | 162.5 Ų | 162.5 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | 66.1 | 92.9 | 148.6 | -66.8 | -177.7 | 177.8 | 174.4 | 0 | 118.9 | H272 | K270-H272 PolarHBondContact O-N 3.02Š| ||
| 271 | N | 32 | Very low | 32.2 | Very low | 162 Ų | 162 | 161.6 Ų | 161.6 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | -61.5 | 116.3 | 132.2 | -77.4 | -24.1 | 0 | 0 | 0 | 109 | ||||
| 272 | H | 34.6 | Very low | 32.3 | Very low | 180 Ų | 180 | 159.7 Ų | 159.7 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | -148.1 | 136.6 | 134.2 | -100.2 | -44.1 | 0 | 0 | 0 | 109.2 | K270 | K270-H272 PolarHBondContact O-N 3.02Š| ||
| 273 | P | 32.7 | Very low | 32.2 | Very low | 103 Ų | 103 | 156.7 Ų | 156.7 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | -89.6 | -172.3 | -164 | 38.5 | -34.3 | 0 | 0 | 0 | 111.5 | ||||
| 274 | I | 34.3 | Very low | 32.3 | Very low | 147 Ų | 147 | 157.9 Ų | 157.9 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | 98.5 | 115.9 | 177 | -51.8 | 156.4 | 0 | 0 | 0 | 109 | ||||
| 275 | E | 34 | Very low | 32.2 | Very low | 169 Ų | 169 | 158.3 Ų | 158.3 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | cis | -161 | 161.3 | 20.1 | -129.3 | 157 | -178 | 0 | 0 | 110.2 | ||||
| 276 | R | 30 | Very low | 32.1 | Very low | 221 Ų | 221 | 158.3 Ų | 158.3 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -50.1 | 146.2 | 167 | -64.1 | 156.4 | -173.6 | 165.9 | 2.1 | 109.8 | ||||
| 277 | Y | 32.8 | Very low | 31.9 | Very low | 202 Ų | 202 | 156.4 Ų | 156.4 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | 178.4 | 124.3 | 120.5 | -94.1 | -70.1 | 0 | 0 | 0 | 110.2 | |||||
| 278 | L | 35.7 | Very low | 31.9 | Very low | 148 Ų | 148 | 157.6 Ų | 157.6 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 64.9 | 91.5 | 147.1 | -65.8 | 153.4 | 0 | 0 | 0 | 116.4 | ||||
| 279 | N | 32.5 | Very low | 31.8 | Very low | 140 Ų | 140 | 159.1 Ų | 159.1 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | 60.2 | 115.1 | 66.2 | -141.8 | 11.6 | 0 | 0 | 0 | 114.6 | |||||
| 280 | K | 31.3 | Very low | 31.8 | Very low | 166 Ų | 166 | 157.2 Ų | 157.2 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 86.3 | 125.2 | 144.2 | -98.8 | -178.9 | 172.1 | 175.1 | 0 | 121.6 | ||||
| 281 | N | 30.2 | Very low | 31.6 | Very low | 144 Ų | 144 | 154.7 Ų | 154.7 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 80.9 | 125.9 | 151.6 | -53.8 | -15.9 | 0 | 0 | 0 | 113.8 | ||||
| 282 | S | 34 | Very low | 31.5 | Very low | 112 Ų | 112 | 153.1 Ų | 153.1 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | cis | -160.3 | 148.8 | 40.5 | 46.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 283 | S | 29.1 | Very low | 31.3 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -40 | 147.6 | 160.6 | 48.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 284 | I | 32.5 | Very low | 31 | Very low | 169 Ų | 169 | 154 Ų | 154 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | -162.9 | 130.6 | 121.9 | -89.1 | 146.1 | 0 | 0 | 0 | 109 | |||||
| 285 | Q | 28 | Very low | 30.7 | Very low | 173 Ų | 173 | 157.5 Ų | 157.5 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -70.8 | 147 | 175.5 | -71.6 | 156.8 | -53.2 | 0 | 0 | 112 | ||||
| 286 | S | 30.4 | Very low | 30.4 | Very low | 101 Ų | 101 | 157.8 Ų | 157.8 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -155.3 | 107.6 | 135 | 62.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 287 | T | 26.3 | Very low | 30.2 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 68% | 0.681 | 79% | 0.787 | S | S | * | * | trans | -93.6 | 111.8 | -178 | -31.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 288 | Y | 31.7 | Very low | 30 | Very low | 216 Ų | 216 | 151.3 Ų | 151.3 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | -135.4 | 90.2 | 160.2 | -57.3 | -77 | 0 | 0 | 0 | 108.4 | ||||
| 289 | K | 30.3 | Very low | 29.4 | Very low | 201 Ų | 201 | 149 Ų | 149 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -95 | 106.2 | 164.5 | -87.1 | -176.8 | 174.6 | 178.4 | 0 | 107.6 | ||||
| 290 | L | 30 | Very low | 29.2 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 136.5 | 163.1 | -125.3 | 83.1 | 0 | 0 | 0 | 108.6 | ||
| 291 | P | 31.9 | Very low | 29.1 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 124.7 | -177.6 | 30.9 | -31 | 0 | 0 | 0 | 110.8 | ||
| 292 | V | 29.6 | Very low | 28.9 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 123.7 | 166.3 | 177.9 | 0 | 0 | 0 | 0 | 108.1 | K294 | V292-K294 PolarHBondContact O-N 2.89Š|
| 293 | P | 30.2 | Very low | 28.5 | Very low | 103 Ų | 103 | 145 Ų | 145 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 118.2 | 171.8 | 0.5 | 13.2 | 0 | 0 | 0 | 109.1 | Y295 | P293-Y295 PolarHBondContact O-N 3.48Š|
| 294 | K | 26.3 | Very low | 28.3 | Very low | 200 Ų | 200 | 145.1 Ų | 145.1 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 119.3 | 165.7 | -75.9 | 178.1 | 174.9 | 179.2 | 0 | 108.5 | V292 | V292-K294 PolarHBondContact O-N 2.89Š|
| 295 | Y | 28 | Very low | 28 | Very low | 220 Ų | 220 | 149.4 Ų | 149.4 | 86% | 0.863 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 118.8 | 161.3 | -85.3 | -88.4 | 0 | 0 | 0 | 109 | P293 | P293-Y295 PolarHBondContact O-N 3.48Š|
| 296 | E | 27.3 | Very low | 28 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79 | 135.6 | 165.5 | -78.3 | -178 | 153 | 0 | 0 | 109.9 | I298 | E296-I298 PolarHBondContact O-N 3.25Š|
| 297 | P | 25.4 | Very low | 27.7 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -82.3 | 108.6 | 172.4 | 31.4 | -28 | 0 | 0 | 0 | 109.2 | S299 | P297-S299 PolarHBondContact O-N 2.83Å; P297-S299 VanDerWaalsContact O-N 3.1Å | ||
| 298 | I | 29 | Very low | 27.7 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -72.1 | 104.4 | 168.2 | -62.1 | 174.2 | 0 | 0 | 0 | 107.9 | E296 | E296-I298 PolarHBondContact O-N 3.25Š| ||
| 299 | S | 23.9 | Very low | 27.5 | Very low | 99 Ų | 99 | 149.8 Ų | 149.8 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -82 | 160.6 | 164.9 | 78.7 | 0 | 0 | 0 | 0 | 111 | P297 | P297-S299 PolarHBondContact O-N 2.83Å; P297-S299 VanDerWaalsContact O-N 3.1Å | ||
| 300 | S | 26.9 | Very low | 27.3 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 84.6 | 128.8 | -176.9 | 86.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 301 | V | 30.5 | Very low | 26.9 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | cis | -152.4 | 144.1 | 34.4 | 173.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 302 | N | 25.2 | Very low | 26.7 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -21.5 | 134.7 | 160.2 | -58.8 | -37.7 | 0 | 0 | 0 | 115.7 | ||||
| 303 | S | 26.1 | Very low | 26.5 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | 154.5 | 126.8 | 106.3 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 304 | C | 23.9 | Very low | 26.4 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | 47.7 | 97 | 146.6 | -67.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 305 | W | 26.7 | Very low | 26.4 | Very low | 259 Ų | 259 | 144.9 Ų | 144.9 | 98% | 0.981 | 78% | 0.779 | S | S | * | * | trans | -135.2 | 94 | 131.1 | -78.8 | 84.6 | 0 | 0 | 0 | 110.1 | ||||
| 306 | K | 27.7 | Very low | 26.3 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -65.9 | 138.9 | 159.7 | -83.9 | 174.6 | 172 | 175.3 | 0 | 108.9 | ||||
| 307 | S | 24.4 | Very low | 26.2 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | 0.5 | 133.4 | 146.6 | 60.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 308 | K | 25.9 | Very low | 26.2 | Very low | 198 Ų | 198 | 142 Ų | 142 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | 113.4 | 140.8 | 137.6 | -87.4 | -170.7 | 177.1 | -174.8 | 0 | 118.1 | ||||
| 309 | P | 27.7 | Very low | 26.1 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -86.8 | 139.8 | -164.5 | 36.6 | -32 | 0 | 0 | 0 | 110 | ||||
| 310 | S | 26 | Very low | 26.2 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -159.6 | 109.6 | 161.5 | 53.3 | 0 | 0 | 0 | 0 | 108.4 | S312 | S310-S312 PolarHBondContact O-N 3.07Š| ||
| 311 | L | 23.2 | Very low | 26.2 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -50.8 | 112 | 162.6 | -164.3 | 82 | 0 | 0 | 0 | 108.7 | ||||
| 312 | S | 27.8 | Very low | 26 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -124.5 | 87.8 | 166.3 | 63.4 | 0 | 0 | 0 | 0 | 108.4 | S310 | S310-S312 PolarHBondContact O-N 3.07Š| ||
| 313 | I | 25 | Very low | 26 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 64% | 0.641 | 79% | 0.785 | S | S | * | * | trans | -90.7 | 136.4 | 166.4 | -77.5 | 174.7 | 0 | 0 | 0 | 108.4 | ||||
| 314 | N | 26.4 | Very low | 26 | Very low | 129 Ų | 129 | 155.9 Ų | 155.9 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | trans | 85.6 | 120.2 | 161.1 | -66.4 | -19 | 0 | 0 | 0 | 119.7 | ||||
| 315 | K | 27 | Very low | 26.1 | Very low | 172 Ų | 172 | 160.2 Ų | 160.2 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | -164.2 | 141.1 | 101 | -116.4 | 174.4 | 179.9 | -179.9 | 0 | 114.3 | |||||
| 316 | Y | 26.9 | Very low | 26 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 78.7 | 120.9 | 171.5 | -59.3 | -81 | 0 | 0 | 0 | 115.5 | ||
| 317 | D | 25.4 | Very low | 25.7 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | cis | -150.1 | 131.4 | 24.4 | -105.7 | -35.5 | 0 | 0 | 0 | 111.1 | ||||
| 318 | S | 25.3 | Very low | 25.7 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -169.1 | 113.9 | 144.3 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | N320 | S318-N320 PolarHBondContact O-N 3.03Š| ||
| 319 | K | 25.7 | Very low | 25.6 | Very low | 193 Ų | 193 | 149 Ų | 149 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | -61.4 | 109.4 | 165.4 | -71.6 | 171.8 | 176 | 173.7 | 0 | 108.6 | ||||
| 320 | N | 27.3 | Very low | 25.4 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | 173.8 | 101.4 | 119.3 | -90.3 | -15.6 | 0 | 0 | 0 | 112.2 | S318 | S318-N320 PolarHBondContact O-N 3.03Š| |||
| 321 | T | 26.2 | Very low | 25.4 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | 59.5 | 105.5 | 130.5 | 47 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 322 | R | 25.5 | Very low | 25.3 | Very low | 227 Ų | 227 | 153.7 Ų | 153.7 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | 84.1 | 87.1 | 124.1 | -72.3 | -179.5 | 177.1 | 178.8 | -0.2 | 118.8 | |||||
| 323 | K | 27.1 | Very low | 25 | Very low | 206 Ų | 206 | 155.1 Ų | 155.1 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | 162.6 | 97.9 | 94.8 | -90.7 | -178.8 | 178.8 | -178.3 | 0 | 108.8 | |||||
| 324 | Q | 24.6 | Very low | 24.9 | Very low | 154 Ų | 154 | 156 Ų | 156 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -86.7 | 138.6 | 167.7 | -109.6 | 175 | -21.3 | 0 | 0 | 109 | ||||
| 325 | Q | 27.2 | Very low | 24.8 | Very low | 199 Ų | 199 | 158.7 Ų | 158.7 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -131.1 | 118.3 | 152.5 | -146.3 | 155 | -0.5 | 0 | 0 | 107 | ||||
| 326 | N | 23.6 | Very low | 24.6 | Very low | 118 Ų | 118 | 158.1 Ų | 158.1 | 63% | 0.631 | 79% | 0.791 | S | S | * | * | trans | -83.9 | 176.8 | -172.5 | -80.9 | -21.4 | 0 | 0 | 0 | 112.3 | ||||
| 327 | C | 21.6 | Very low | 24.4 | Very low | 113 Ų | 113 | 155.6 Ų | 155.6 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | 89.2 | 130.9 | 156 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 328 | T | 24.5 | Very low | 24.3 | Very low | 121 Ų | 121 | 159.5 Ų | 159.5 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | -169.2 | 152.4 | 25.3 | 3.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 329 | D | 23.7 | Very low | 24.3 | Very low | 162 Ų | 162 | 162.2 Ų | 162.2 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -42 | 135 | 160.6 | -76.5 | -51.7 | 0 | 0 | 0 | 111.9 | ||||
| 330 | S | 24.4 | Very low | 24.2 | Very low | 100 Ų | 100 | 159.6 Ų | 159.6 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -168.1 | 115.2 | 150.5 | 18.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 331 | D | 24.6 | Very low | 24.1 | Very low | 137 Ų | 137 | 159 Ų | 159 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | 49.3 | 97.6 | 122.8 | -59.8 | -26.4 | 0 | 0 | 0 | 118.6 | L333 | D331-L333 PolarHBondContact O-N 3.36Š| |||
| 332 | W | 22.6 | Very low | 24 | Very low | 247 Ų | 247 | 164.1 Ų | 164.1 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | S | Bend | -10.7 | 91 | 120.4 | -36.4 | 70.3 | 0 | 0 | 0 | 113.5 | |||
| 333 | L | 21.4 | Very low | 24 | Very low | 144 Ų | 144 | 158.1 Ų | 158.1 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 176.2 | 123.1 | 151.6 | -95.1 | 139.4 | 0 | 0 | 0 | 109.8 | D331 | D331-L333 PolarHBondContact O-N 3.36Š| ||
| 334 | I | 22.5 | Very low | 23.9 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | 57.5 | 102.3 | 143.7 | -50.4 | 170.4 | 0 | 0 | 0 | 116.5 | ||||
| 335 | Q | 24 | Very low | 23.8 | Very low | 185 Ų | 185 | 154 Ų | 154 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -158.6 | 79.9 | 134.7 | -110.4 | 176.7 | 32.2 | 0 | 0 | 110.4 | N337 | Q335-N337 PolarHBondContact O-N 3.36Š| ||
| 336 | L | 23.2 | Very low | 23.7 | Very low | 160 Ų | 160 | 151 Ų | 151 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -63.5 | 118.7 | 140.4 | -99.7 | 93.9 | 0 | 0 | 0 | 106.4 | ||||
| 337 | N | 22.5 | Very low | 23.6 | Very low | 141 Ų | 141 | 154.6 Ų | 154.6 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | 143.3 | 136.6 | 146.5 | -76.5 | -23 | 0 | 0 | 0 | 111.3 | Q335 | Q335-N337 PolarHBondContact O-N 3.36Š| ||
| 338 | R | 22.6 | Very low | 23.8 | Very low | 230 Ų | 230 | 158.7 Ų | 158.7 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | 76.9 | 96.3 | 176 | -67.1 | 178.4 | 164.9 | 176.8 | -3.8 | 115.5 | ||||
| 339 | L | 25.5 | Very low | 23.8 | Very low | 173 Ų | 173 | 158.7 Ų | 158.7 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | -153.8 | 90.4 | 111.2 | -121 | 106.1 | 0 | 0 | 0 | 108.1 | |||||
| 340 | D | 24.2 | Very low | 23.9 | Very low | 138 Ų | 138 | 157 Ų | 157 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -55.3 | 156.1 | 147.6 | -73.7 | -52.2 | 0 | 0 | 0 | 109 | ||||
| 341 | N | 24.9 | Very low | 24.1 | Very low | 129 Ų | 129 | 160.9 Ų | 160.9 | 69% | 0.69 | 81% | 0.806 | S | S | * | * | trans | 91.7 | 103.4 | 158.4 | -73.3 | -16.4 | 0 | 0 | 0 | 119.4 | ||||
| 342 | Y | 24.6 | Very low | 24.2 | Very low | 219 Ų | 219 | 163.2 Ų | 163.2 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | 63.1 | 117.4 | 138.3 | -66 | -86.4 | 0 | 0 | 0 | 119.4 | ||||
| 343 | A | 25.5 | Very low | 24.3 | Very low | 100 Ų | 100 | 157.2 Ų | 157.2 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | -166.4 | 114.4 | 115.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 344 | S | 23.5 | Very low | 24.5 | Very low | 105 Ų | 105 | 159.8 Ų | 159.8 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -52 | 143.8 | 163.7 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 345 | L | 22.8 | Very low | 24.7 | Very low | 169 Ų | 169 | 158 Ų | 158 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -171.5 | 104 | 136.7 | -118.6 | 123.4 | 0 | 0 | 0 | 110.8 | ||||
| 346 | C | 24.9 | Very low | 24.8 | Very low | 135 Ų | 135 | 155.1 Ų | 155.1 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | -177.4 | 120.1 | 127.5 | -97 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 347 | K | 22.2 | Very low | 24.9 | Very low | 194 Ų | 194 | 155 Ų | 155 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -105 | 125.8 | -173.4 | -161 | -175 | -167.8 | -175.5 | 0 | 106.7 | ||||
| 348 | F | 26.2 | Very low | 25.1 | Very low | 200 Ų | 200 | 156.2 Ų | 156.2 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -146.4 | 101.3 | 158 | -104.8 | -79 | 0 | 0 | 0 | 110.2 | ||||
| 349 | N | 24.7 | Very low | 25.2 | Very low | 120 Ų | 120 | 152 Ų | 152 | 64% | 0.642 | 79% | 0.79 | S | S | * | * | trans | 43.6 | 117.2 | 146.3 | -60.5 | -0.4 | 0 | 0 | 0 | 122.5 | ||||
| 350 | D | 25.8 | Very low | 25.2 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | 61.4 | 89 | 126.6 | -55.7 | -26.6 | 0 | 0 | 0 | 120.2 | |||||
| 351 | H | 28.1 | Very low | 25.4 | Very low | 181 Ų | 181 | 148.5 Ų | 148.5 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | 169.5 | 122.1 | 95.2 | -92 | -62.2 | 0 | 0 | 0 | 111.6 | |||||
| 352 | Q | 26.4 | Very low | 25.5 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | 66.4 | 111.5 | 164.3 | -68.8 | -161.4 | -8.7 | 0 | 0 | 120.4 | ||||
| 353 | P | 24.7 | Very low | 26 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -89.9 | 138.3 | 167.2 | 35.5 | -27.2 | 0 | 0 | 0 | 110.3 | ||||
| 354 | K | 26 | Very low | 26.5 | Very low | 198 Ų | 198 | 143.8 Ų | 143.8 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -125.6 | 109.8 | 150.1 | -107.7 | 179.9 | -179.2 | 176.5 | 0 | 108.8 | ||||
| 355 | P | 25.8 | Very low | 27 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | trans | -76.5 | 125.3 | 170.3 | 32.5 | -27.1 | 0 | 0 | 0 | 106.2 | ||||
| 356 | N | 27.7 | Very low | 27.5 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | trans | -150 | 88.8 | 159.1 | -91.6 | -22.6 | 0 | 0 | 0 | 108.3 | F358 | N356-F358 HydrophobicContact CB-CD2 3.92Å; N356-F358 HydrophobicContact CB-CE2 3.91Å; N356-F358 PolarHBondContact O-N 2.9Å | ||
| 357 | L | 24.4 | Very low | 27.9 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | trans | -45.7 | 106.3 | 150.9 | -151.4 | 91.8 | 0 | 0 | 0 | 108.1 | ||||
| 358 | F | 26 | Very low | 28.2 | Very low | 165 Ų | 165 | 136 Ų | 136 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | trans | -127 | 93.6 | 161.9 | -84.1 | -75.3 | 0 | 0 | 0 | 108.2 | N356 S360 | N356-F358 HydrophobicContact CB-CD2 3.92Å; N356-F358 HydrophobicContact CB-CE2 3.91Å; N356-F358 PolarHBondContact O-N 2.9Å; F358-S360 PolarHBondContact O-N 3.01Å | ||
| 359 | I | 25.4 | Very low | 28.4 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 72% | 0.723 | 70% | 0.699 | S | S | * | * | trans | -58.2 | 109.2 | 149 | -62.7 | 166.8 | 0 | 0 | 0 | 104.6 | ||||
| 360 | S | 26.1 | Very low | 28.8 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 59% | 0.594 | 70% | 0.698 | S | S | * | * | trans | -131.1 | 101.2 | 173.3 | -179 | 0 | 0 | 0 | 0 | 107.6 | F358 N362 | F358-S360 PolarHBondContact O-N 3.01Å; S360-N362 VanDerWaalsContact C-N 3.3Å; S360-N362 PolarHBondContact O-N 3.48Å | ||
| 361 | D | 27.2 | Very low | 29 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -68.6 | 84.9 | 169.6 | -63.5 | -43.6 | 0 | 0 | 0 | 108.7 | ||||
| 362 | N | 28.6 | Very low | 29.1 | Very low | 85 Ų | 85 | 128 Ų | 128 | 46% | 0.455 | 67% | 0.67 | S | S | . | * | trans | -154.5 | 111.5 | 163.3 | -143.2 | -12.3 | 0 | 0 | 0 | 112.3 | S360 E364 | S360-N362 VanDerWaalsContact C-N 3.3Å; S360-N362 PolarHBondContact O-N 3.48Å; N362-E364 PolarHBondContact O-N 3.29Å; N362-E364 VanDerWaalsContact O-N 3.12Å | ||
| 363 | P | 34 | Very low | 29.3 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 69% | 0.688 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -6.7 | -174.1 | 26.2 | -32.9 | 0 | 0 | 0 | 114.6 | ||
| 364 | E | 36.6 | Very low | 29.6 | Very low | 159 Ų | 159 | 124.4 Ų | 124.4 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -20.1 | -176 | -63.5 | -172.6 | 163.2 | 0 | 0 | 114.1 | N362 L366 | N362-E364 PolarHBondContact O-N 3.29Å; N362-E364 VanDerWaalsContact O-N 3.12Å; E364-L366 VanDerWaalsContact C-N 3.32Å |
| 365 | N | 34.5 | Very low | 29.7 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -8.7 | 175.3 | -81.7 | -26 | 0 | 0 | 0 | 113.7 | L367 S368 | N365-L367 VanDerWaalsContact C-N 3.34Å; N365-S368 PolarHBondContact O-OG 3.18Å |
| 366 | L | 32.1 | Very low | 29.7 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 67% | 0.665 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75 | -23.1 | 176.6 | -118.6 | 122.2 | 0 | 0 | 0 | 112.5 | E364 K370 | E364-L366 VanDerWaalsContact C-N 3.32Å; L366-K370 WeakPolarHBondContact O-CB 3.43Å; L366-K370 PolarHBondContact O-N 3.2Å; L366-K370 VanDerWaalsContact O-N 3.15Å |
| 367 | L | 32.9 | Very low | 29.7 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.6 | -31.9 | -178.3 | -123.6 | 83.9 | 0 | 0 | 0 | 113.1 | N365 N371 | N365-L367 VanDerWaalsContact C-N 3.34Å; L367-N371 PolarHBondContact O-N 2.85Å |
| 368 | S | 30 | Very low | 29.8 | Very low | 76 Ų | 76 | 124 Ų | 124 | 53% | 0.531 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -76.6 | -31 | 177.3 | 73.5 | 0 | 0 | 0 | 0 | 112.1 | N365 S372 | N365-S368 PolarHBondContact O-OG 3.18Å; S368-S372 PolarHBondContact O-N 3.47Å; S368-S372 PolarHBondContact O-OG 2.98Å |
| 369 | Y | 29.8 | Very low | 29.9 | Very low | 162 Ų | 162 | 121.2 Ų | 121.2 | 64% | 0.635 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.2 | -31.2 | 174 | -123.3 | -90.9 | 0 | 0 | 0 | 112.9 | N371 S372 L373 | Y369-N371 VanDerWaalsContact C-N 3.3Å; Y369-N371 PolarHBondContact O-N 3.38Å; Y369-S372 WeakPolarHBondContact CA-OG 3.19Å; Y369-S372 PolarHBondContact O-N 3.3Å; Y369-S372 PolarHBondContact O-OG 2.98Å; Y369-S372 VanDerWaalsContact O-OG 3.06Å; Y369-L373 HydrophobicContact CD1-CD1 3.58Å; Y369-L373 HydrophobicContact CE1-CD1 4.04Å; Y369-L373 WeakPolarHBondContact O-CD1 2.89Å; Y369-L373 PolarHBondContact O-N 3.45Å; Y369-L373 VanDerWaalsContact O-N 3.09Å |
| 370 | K | 32.5 | Very low | 30.1 | Very low | 143 Ų | 143 | 121.8 Ų | 121.8 | 62% | 0.622 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.6 | -31.8 | 174.9 | -149.9 | 171.5 | -173.8 | 177.8 | 0 | 111.9 | L366 I374 | L366-K370 WeakPolarHBondContact O-CB 3.43Å; L366-K370 PolarHBondContact O-N 3.2Å; L366-K370 VanDerWaalsContact O-N 3.15Å; K370-I374 WeakPolarHBondContact O-CD1 3.34Å; K370-I374 WeakPolarHBondContact O-CG1 3.46Å |
| 371 | N | 30.4 | Very low | 30.2 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 57% | 0.572 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -83.2 | -21.1 | 176.8 | -72.3 | -17.2 | 0 | 0 | 0 | 113.7 | L367 Y369 | L367-N371 PolarHBondContact O-N 2.85Å; Y369-N371 VanDerWaalsContact C-N 3.3Å; Y369-N371 PolarHBondContact O-N 3.38Å |
| 372 | S | 29.2 | Very low | 30.2 | Very low | 51 Ų | 51 | 121.6 Ų | 121.6 | 36% | 0.357 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -85.6 | -25.9 | 173.6 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | S368 Y369 | S368-S372 PolarHBondContact O-N 3.47Å; S368-S372 PolarHBondContact O-OG 2.98Å; Y369-S372 WeakPolarHBondContact CA-OG 3.19Å; Y369-S372 PolarHBondContact O-N 3.3Å; Y369-S372 PolarHBondContact O-OG 2.98Å; Y369-S372 VanDerWaalsContact O-OG 3.06Å |
| 373 | L | 31.2 | Very low | 30.1 | Very low | 107 Ų | 107 | 122.3 Ų | 122.3 | 56% | 0.56 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.1 | -21.5 | 171.1 | -99.2 | 101 | 0 | 0 | 0 | 114.1 | Y369 N375 | Y369-L373 HydrophobicContact CD1-CD1 3.58Å; Y369-L373 HydrophobicContact CE1-CD1 4.04Å; Y369-L373 WeakPolarHBondContact O-CD1 2.89Å; Y369-L373 PolarHBondContact O-N 3.45Å; Y369-L373 VanDerWaalsContact O-N 3.09Å; L373-N375 VanDerWaalsContact C-N 3.28Å; L373-N375 PolarHBondContact O-N 3.24Å |
| 374 | I | 31.1 | Very low | 29.6 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 63% | 0.626 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -15.1 | 179.6 | -69.8 | 167.1 | 0 | 0 | 0 | 112.1 | K370 | K370-I374 WeakPolarHBondContact O-CD1 3.34Å; K370-I374 WeakPolarHBondContact O-CG1 3.46Å |
| 375 | N | 28.5 | Very low | 29 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 13.4 | -176 | -77.4 | -21.1 | 0 | 0 | 0 | 114.9 | L373 | L373-N375 VanDerWaalsContact C-N 3.28Å; L373-N375 PolarHBondContact O-N 3.24Å |
| 376 | Q | 26.1 | Very low | 28.4 | Very low | 140 Ų | 140 | 124.1 Ų | 124.1 | 65% | 0.654 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -99.3 | 117.5 | 171.1 | -74.2 | -173.8 | -5.9 | 0 | 0 | 109.9 | I378 | Q376-I378 PolarHBondContact O-N 3.15Š|
| 377 | N | 26.3 | Very low | 28.1 | Very low | 166 Ų | 166 | 124.8 Ų | 124.8 | 89% | 0.888 | 68% | 0.678 | S | S | * | * | trans | -60.7 | 96.3 | 168.7 | -73.9 | -24.3 | 0 | 0 | 0 | 108.7 | P379 | N377-P379 WeakPolarHBondContact O-CD 3.4Š| ||
| 378 | I | 28.4 | Very low | 27.6 | Very low | 135 Ų | 135 | 124.7 Ų | 124.7 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | trans | -70.3 | 120.3 | 173.2 | -59 | 174.1 | 0 | 0 | 0 | 107.2 | Q376 | Q376-I378 PolarHBondContact O-N 3.15Š| ||
| 379 | P | 28 | Very low | 27.4 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 69% | 0.688 | 69% | 0.694 | S | S | * | * | trans | -69.1 | 138.3 | 173.6 | 28.1 | -30.5 | 0 | 0 | 0 | 110 | N377 T381 | N377-P379 WeakPolarHBondContact O-CD 3.4Å; P379-T381 PolarHBondContact O-N 3.38Å | ||
| 380 | D | 28.2 | Very low | 27.1 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | -41.5 | 106.5 | 179.9 | -76.9 | -42.2 | 0 | 0 | 0 | 113.5 | ||||
| 381 | T | 28.9 | Very low | 26.9 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | trans | -108.9 | 54.5 | 166 | 47.5 | 0 | 0 | 0 | 0 | 110.5 | P379 T383 | P379-T381 PolarHBondContact O-N 3.38Å; T381-T383 VanDerWaalsContact C-N 3.26Å | ||
| 382 | S | 27.3 | Very low | 26.6 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | trans | -91.2 | 18.7 | 165.8 | 66.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 383 | T | 25.6 | Very low | 26.4 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 61% | 0.607 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -133.1 | 132 | 175.7 | 46.2 | 0 | 0 | 0 | 0 | 109.3 | T381 | T381-T383 VanDerWaalsContact C-N 3.26Š|
| 384 | I | 24.4 | Very low | 26.1 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | 99.8 | 84.9 | 166.5 | -46.3 | 151 | 0 | 0 | 0 | 114.8 | ||||
| 385 | L | 23 | Very low | 25.9 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | -119.8 | 77.9 | 129.6 | -138.6 | 95.1 | 0 | 0 | 0 | 107.2 | N387 | L385-N387 PolarHBondContact O-N 2.88Š| |||
| 386 | C | 23.4 | Very low | 25.6 | Very low | 101 Ų | 101 | 140 Ų | 140 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | -69.8 | 105.6 | 163.5 | -87 | 0 | 0 | 0 | 0 | 107.4 | C388 | C386-C388 PolarHBondContact O-N 3.23Å; C386-C388 VanDerWaalsContact O-N 3.17Å | ||
| 387 | N | 24.1 | Very low | 25.8 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -69.7 | 106.9 | 158.4 | -105.9 | -7.1 | 0 | 0 | 0 | 107.4 | L385 I389 | L385-N387 PolarHBondContact O-N 2.88Å; N387-I389 VanDerWaalsContact C-N 3.33Å; N387-I389 PolarHBondContact O-N 3.18Å | ||
| 388 | C | 24.2 | Very low | 25.8 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -64.7 | 91 | 169.2 | -64.1 | 0 | 0 | 0 | 0 | 109.3 | C386 | C386-C388 PolarHBondContact O-N 3.23Å; C386-C388 VanDerWaalsContact O-N 3.17Å | ||
| 389 | I | 25.3 | Very low | 25.8 | Very low | 133 Ų | 133 | 142 Ų | 142 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | trans | -93 | 95.1 | 154.5 | -62.4 | 178.1 | 0 | 0 | 0 | 106.4 | N387 Q391 | N387-I389 VanDerWaalsContact C-N 3.33Å; N387-I389 PolarHBondContact O-N 3.18Å; I389-Q391 HydrophobicContact CG2-CB 3.99Å; I389-Q391 HydrophobicContact CG2-CG 3.99Å; I389-Q391 PolarHBondContact O-N 3.43Å | ||
| 390 | N | 23.9 | Very low | 25.9 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -74.8 | 81.6 | 166.5 | -153 | 13.1 | 0 | 0 | 0 | 107.4 | ||||
| 391 | Q | 27 | Very low | 25.9 | Very low | 150 Ų | 150 | 146 Ų | 146 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -119.1 | 92.3 | 165.6 | -87.2 | -173 | -8.5 | 0 | 0 | 109.3 | I389 T393 | I389-Q391 HydrophobicContact CG2-CB 3.99Å; I389-Q391 HydrophobicContact CG2-CG 3.99Å; I389-Q391 PolarHBondContact O-N 3.43Å; Q391-T393 VanDerWaalsContact C-N 3.28Å; Q391-T393 PolarHBondContact O-N 3.22Å | ||
| 392 | S | 23.6 | Very low | 25.9 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -58.8 | 90.5 | 155.9 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 393 | T | 26.5 | Very low | 25.9 | Very low | 88 Ų | 88 | 150.8 Ų | 150.8 | 54% | 0.54 | 79% | 0.786 | S | S | . | * | trans | -136.4 | 115.4 | 160.1 | 51.1 | 0 | 0 | 0 | 0 | 109 | Q391 M395 | Q391-T393 VanDerWaalsContact C-N 3.28Å; Q391-T393 PolarHBondContact O-N 3.22Å; T393-M395 VanDerWaalsContact C-N 3.28Å; T393-M395 PolarHBondContact O-N 3.28Å | ||
| 394 | N | 24.6 | Very low | 25.9 | Very low | 183 Ų | 183 | 154.3 Ų | 154.3 | 98% | 0.979 | 80% | 0.8 | S | S | * | * | trans | -57.1 | 90.7 | 165.5 | -98.1 | -34.6 | 0 | 0 | 0 | 108.6 | ||||
| 395 | M | 25.9 | Very low | 26.1 | Very low | 149 Ų | 149 | 153.4 Ų | 153.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -112.4 | 106.7 | 170.9 | -74.6 | -121.4 | -123.6 | 0 | 0 | 109 | T393 L397 | T393-M395 VanDerWaalsContact C-N 3.28Å; T393-M395 PolarHBondContact O-N 3.28Å; M395-L397 PolarHBondContact O-N 3.21Å; M395-L397 VanDerWaalsContact O-N 3.13Å | ||
| 396 | R | 23.8 | Very low | 26.3 | Very low | 250 Ų | 250 | 151.1 Ų | 151.1 | 94% | 0.943 | 79% | 0.791 | S | S | * | * | trans | -67.3 | 101.9 | 164.4 | -84.4 | -179.2 | 172.6 | 175 | -2.4 | 107.9 | I398 | R396-I398 PolarHBondContact O-N 3.19Š| ||
| 397 | L | 28.6 | Very low | 26.5 | Very low | 158 Ų | 158 | 152.4 Ų | 152.4 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -76.9 | 115.3 | 172.1 | -89.6 | 135.8 | 0 | 0 | 0 | 110.1 | M395 | M395-L397 PolarHBondContact O-N 3.21Å; M395-L397 VanDerWaalsContact O-N 3.13Å | ||
| 398 | I | 27 | Very low | 26.5 | Very low | 153 Ų | 153 | 151 Ų | 151 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -72.4 | 130.3 | 170.4 | -64.7 | 169.7 | 0 | 0 | 0 | 107.5 | R396 N400 | R396-I398 PolarHBondContact O-N 3.19Å; I398-N400 PolarHBondContact O-N 3.33Å | ||
| 399 | Q | 29.2 | Very low | 26.6 | Very low | 172 Ų | 172 | 150.9 Ų | 150.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -55.4 | 128.9 | 175.1 | -73.7 | 170.2 | -41.2 | 0 | 0 | 109.5 | ||
| 400 | N | 29 | Very low | 26.6 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | 115.8 | 37.5 | 167.7 | -54.2 | -17.1 | 0 | 0 | 0 | 118.1 | I398 | I398-N400 PolarHBondContact O-N 3.33Š| ||
| 401 | Q | 28.9 | Very low | 26.8 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -133.1 | 123.1 | 163.4 | -71.8 | -175.2 | -22.6 | 0 | 0 | 111.7 | ||||
| 402 | E | 28 | Very low | 26.8 | Very low | 192 Ų | 192 | 148.9 Ų | 148.9 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -70.8 | 121.7 | 170.2 | -71.2 | 178.6 | 166 | 0 | 0 | 109.4 | ||||
| 403 | L | 27.1 | Very low | 27.3 | Very low | 144 Ų | 144 | 152.8 Ų | 152.8 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -92.8 | 104.7 | -179.9 | -162.8 | 84.1 | 0 | 0 | 0 | 109.3 | I405 | L403-I405 HydrophobicContact CD2-CD1 3.92Å; L403-I405 HydrophobicContact CD2-CG1 3.71Å; L403-I405 HydrophobicContact CG-CG1 4.17Å; L403-I405 PolarHBondContact O-N 2.89Å | ||
| 404 | L | 27 | Very low | 27.7 | Very low | 172 Ų | 172 | 155.4 Ų | 155.4 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -76.7 | 104.1 | 166.2 | -84.5 | 146 | 0 | 0 | 0 | 109 | ||||
| 405 | I | 28.6 | Very low | 28.3 | Very low | 127 Ų | 127 | 153.5 Ų | 153.5 | 65% | 0.651 | 79% | 0.791 | S | S | * | * | trans | -91.6 | 122.4 | 171 | -56.6 | 175.3 | 0 | 0 | 0 | 108.2 | L403 V407 | L403-I405 HydrophobicContact CD2-CD1 3.92Å; L403-I405 HydrophobicContact CD2-CG1 3.71Å; L403-I405 HydrophobicContact CG-CG1 4.17Å; L403-I405 PolarHBondContact O-N 2.89Å; I405-V407 PolarHBondContact O-N 2.75Å | ||
| 406 | P | 26.2 | Very low | 28.5 | Very low | 119 Ų | 119 | 153 Ų | 153 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -74.1 | 123 | 172.2 | 29.3 | -30.1 | 0 | 0 | 0 | 109.7 | ||||
| 407 | V | 27.3 | Very low | 28.7 | Very low | 129 Ų | 129 | 150 Ų | 150 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | trans | -87.7 | 115.3 | 169.3 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | I405 | I405-V407 PolarHBondContact O-N 2.75Š| ||
| 408 | S | 24.9 | Very low | 28.9 | Very low | 111 Ų | 111 | 154.2 Ų | 154.2 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -79.8 | 122.5 | 169.7 | 36.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 409 | I | 27.3 | Very low | 29 | Very low | 120 Ų | 120 | 154.3 Ų | 154.3 | 62% | 0.615 | 82% | 0.818 | S | S | * | * | trans | -93 | 116.2 | 173.2 | -59.4 | 170.5 | 0 | 0 | 0 | 108.1 | ||||
| 410 | C | 25.2 | Very low | 29 | Very low | 126 Ų | 126 | 153.3 Ų | 153.3 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | -82.8 | 111.7 | 165.5 | -76.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 411 | L | 26.8 | Very low | 28.9 | Very low | 157 Ų | 157 | 153.1 Ų | 153.1 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -76.2 | 129 | 168.9 | -91.9 | 147.8 | 0 | 0 | 0 | 110.1 | ||||
| 412 | N | 26.8 | Very low | 29 | Very low | 119 Ų | 119 | 151.2 Ų | 151.2 | 64% | 0.636 | 81% | 0.814 | S | S | * | * | trans | -63.3 | 132.2 | 174.1 | -168.8 | 1.4 | 0 | 0 | 0 | 109.9 | N414 | N412-N414 PolarHBondContact O-N 3.48Å; N412-N414 VanDerWaalsContact O-N 3.13Å | ||
| 413 | K | 34.3 | Very low | 29 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 8.6 | -166.8 | -135 | 177 | -177.1 | -177.6 | 0 | 114.7 | ||
| 414 | N | 36.1 | Very low | 29.1 | Very low | 143 Ų | 143 | 149 Ų | 149 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 23.6 | -172 | -65.1 | -3.8 | 0 | 0 | 0 | 113.8 | N412 | N412-N414 PolarHBondContact O-N 3.48Å; N412-N414 VanDerWaalsContact O-N 3.13Å |
| 415 | I | 36 | Very low | 29.3 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -127 | 33.8 | -178.2 | -45.3 | 178.3 | 0 | 0 | 0 | 111 | ||||
| 416 | V | 30.3 | Very low | 29.3 | Very low | 139 Ų | 139 | 148.9 Ų | 148.9 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | -135.9 | 74.6 | 172.5 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 417 | E | 28.1 | Very low | 29.6 | Very low | 187 Ų | 187 | 151.4 Ų | 151.4 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -159.2 | 87.4 | 161 | -106.4 | 175.7 | -168.1 | 0 | 0 | 106.4 | ||||
| 418 | D | 32.4 | Very low | 29.8 | Very low | 246 Ų | 246 | 153.5 Ų | 153.5 | 100% | 1.316 | 83% | 0.826 | S | S | * | * | trans | -176.3 | 0 | 147 | -94.1 | -18.4 | 0 | 0 | 0 | 110 |
Retrieved 418 of 418 residues in 89 ms
(Link to these results)