| 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 | 55.3 | Low | 60.6 | Low | 222 Ų | 222 | 118.6 Ų | 118.6 | 100% | 1.094 | 60% | 0.603 | S | S | * | * | 0 | 115.6 | 0 | -79 | 157.1 | 154.6 | 0 | 0 | 107.1 | |||||
| 2 | T | 70.1 | Confident | 61.7 | Low | 71 Ų | 71 | 116 Ų | 116 | 44% | 0.436 | 59% | 0.59 | S | S | . | * | trans | -76.9 | 154.8 | -175.7 | 66.1 | 0 | 0 | 0 | 0 | 110 | L4 D5 L6 | T2-L4 PolarHBondContact O-N 3.48Å; T2-L4 VanDerWaalsContact O-N 3.13Å; T2-D5 PolarHBondContact N-OD2 3.48Å; T2-D5 PolarHBondContact O-N 3.27Å; T2-D5 PolarHBondContact OG1-N 3.05Å; T2-D5 PolarHBondContact OG1-OD2 3.26Å; T2-L6 PolarHBondContact O-N 3.07Å | ||
| 3 | P | 60.9 | Low | 62.8 | Low | 118 Ų | 118 | 111.8 Ų | 111.8 | 77% | 0.766 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58.3 | -23.9 | 175.1 | 21.4 | -31.8 | 0 | 0 | 0 | 112.7 | W7 | P3-W7 WeakPolarHBondContact O-CB 3.48Å; P3-W7 PolarHBondContact O-N 3.23Å |
| 4 | L | 59.5 | Low | 63.7 | Low | 122 Ų | 122 | 113.4 Ų | 113.4 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.1 | -43.1 | 173.3 | -139.8 | 89.1 | 0 | 0 | 0 | 112 | T2 L6 W7 L8 | T2-L4 PolarHBondContact O-N 3.48Å; T2-L4 VanDerWaalsContact O-N 3.13Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.42Å; L4-W7 PolarHBondContact O-N 2.95Å; L4-L8 HydrophobicContact CD2-CD1 4.36Å; L4-L8 HydrophobicContact CG-CD1 4.17Å; L4-L8 WeakPolarHBondContact O-CD1 3.33Å; L4-L8 PolarHBondContact O-N 3.41Å |
| 5 | D | 57 | Low | 64.5 | Low | 88 Ų | 88 | 110.9 Ų | 110.9 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.5 | -38 | 179.8 | -59 | -44.3 | 0 | 0 | 0 | 111.7 | T2 S9 | T2-D5 PolarHBondContact N-OD2 3.48Å; T2-D5 PolarHBondContact O-N 3.27Å; T2-D5 PolarHBondContact OG1-N 3.05Å; T2-D5 PolarHBondContact OG1-OD2 3.26Å; D5-S9 WeakPolarHBondContact O-CB 3.4Å; D5-S9 PolarHBondContact O-N 3.47Å; D5-S9 PolarHBondContact O-OG 3.12Å |
| 6 | L | 59 | Low | 65.3 | Low | 102 Ų | 102 | 110.3 Ų | 110.3 | 53% | 0.534 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.1 | -36.8 | 177.7 | -144.2 | 80.5 | 0 | 0 | 0 | 111.4 | T2 L4 S9 R10 | T2-L6 PolarHBondContact O-N 3.07Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.42Å; L6-S9 PolarHBondContact O-OG 2.67Å; L6-R10 PolarHBondContact O-N 3.35Å |
| 7 | W | 57.4 | Low | 66 | Low | 191 Ų | 191 | 110.2 Ų | 110.2 | 72% | 0.723 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.3 | -44.5 | 176.4 | -146.9 | 83.1 | 0 | 0 | 0 | 111.6 | P3 L4 S9 R10 S11 | P3-W7 WeakPolarHBondContact O-CB 3.48Å; P3-W7 PolarHBondContact O-N 3.23Å; L4-W7 PolarHBondContact O-N 2.95Å; W7-S9 PolarHBondContact O-N 2.6Å; W7-R10 PolarHBondContact O-N 3.02Å; W7-S11 VanDerWaalsContact O-CB 3.29Å; W7-S11 WeakPolarHBondContact O-CB 3.5Å; W7-S11 PolarHBondContact O-N 3.43Å; W7-S11 PolarHBondContact O-OG 3.44Å |
| 8 | L | 56.7 | Low | 66.7 | Low | 83 Ų | 83 | 110.1 Ų | 110.1 | 44% | 0.435 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.5 | -43.9 | 173.7 | -94.3 | 87 | 0 | 0 | 0 | 111.8 | L4 R10 S11 I12 | L4-L8 HydrophobicContact CD2-CD1 4.36Å; L4-L8 HydrophobicContact CG-CD1 4.17Å; L4-L8 WeakPolarHBondContact O-CD1 3.33Å; L4-L8 PolarHBondContact O-N 3.41Å; L8-R10 PolarHBondContact O-N 2.91Å; L8-S11 PolarHBondContact O-N 3.28Å; L8-I12 HydrophobicContact CB-CD1 4Å; L8-I12 HydrophobicContact CD2-CD1 4.06Å; L8-I12 HydrophobicContact CG-CD1 4.14Å; L8-I12 WeakPolarHBondContact O-CB 3.35Å; L8-I12 WeakPolarHBondContact O-CD1 3.49Å; L8-I12 WeakPolarHBondContact O-CG1 3.32Å; L8-I12 PolarHBondContact O-N 2.87Å; L8-I12 VanDerWaalsContact O-N 3.17Å |
| 9 | S | 61.5 | Low | 67.3 | Low | 71 Ų | 71 | 110.3 Ų | 110.3 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.1 | -26.2 | -177.8 | 76.5 | 0 | 0 | 0 | 0 | 114.1 | D5 L6 W7 P13 | D5-S9 WeakPolarHBondContact O-CB 3.4Å; D5-S9 PolarHBondContact O-N 3.47Å; D5-S9 PolarHBondContact O-OG 3.12Å; L6-S9 PolarHBondContact O-OG 2.67Å; W7-S9 PolarHBondContact O-N 2.6Å; S9-P13 WeakPolarHBondContact O-CD 3.25Å; S9-P13 VanDerWaalsContact O-CG 3.22Å; S9-P13 WeakPolarHBondContact O-CG 3.47Å |
| 10 | R | 62.3 | Low | 67.7 | Low | 193 Ų | 193 | 107.4 Ų | 107.4 | 73% | 0.728 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -96.8 | -35.5 | -179.2 | -73.5 | -175.7 | 165.5 | -163.4 | -3.8 | 113 | L6 W7 L8 P13 | L6-R10 PolarHBondContact O-N 3.35Å; W7-R10 PolarHBondContact O-N 3.02Å; L8-R10 PolarHBondContact O-N 2.91Å; R10-P13 WeakPolarHBondContact O-CG 3.34Å |
| 11 | S | 67 | Low | 67.9 | Low | 44 Ų | 44 | 107.9 Ų | 107.9 | 31% | 0.308 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -79.5 | -36.2 | -175.6 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | W7 L8 M14 C15 | W7-S11 VanDerWaalsContact O-CB 3.29Å; W7-S11 WeakPolarHBondContact O-CB 3.5Å; W7-S11 PolarHBondContact O-N 3.43Å; W7-S11 PolarHBondContact O-OG 3.44Å; L8-S11 PolarHBondContact O-N 3.28Å; S11-M14 PolarHBondContact O-N 3.39Å; S11-C15 WeakPolarHBondContact O-CB 3.16Å; S11-C15 PolarHBondContact O-N 2.94Å |
| 12 | I | 73.4 | Confident | 68.8 | Low | 87 Ų | 87 | 100.9 Ų | 100.9 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -49.7 | 179.6 | -62.9 | 167.7 | 0 | 0 | 0 | 112.9 | L8 M14 C15 L16 | L8-I12 HydrophobicContact CB-CD1 4Å; L8-I12 HydrophobicContact CD2-CD1 4.06Å; L8-I12 HydrophobicContact CG-CD1 4.14Å; L8-I12 WeakPolarHBondContact O-CB 3.35Å; L8-I12 WeakPolarHBondContact O-CD1 3.49Å; L8-I12 WeakPolarHBondContact O-CG1 3.32Å; L8-I12 PolarHBondContact O-N 2.87Å; L8-I12 VanDerWaalsContact O-N 3.17Å; I12-M14 VanDerWaalsContact C-N 3.28Å; I12-M14 PolarHBondContact O-N 3.47Å; I12-C15 PolarHBondContact O-N 3.38Å; I12-L16 HydrophobicContact CG2-CD1 3.88Å; I12-L16 HydrophobicContact CG2-CG 4.37Å; I12-L16 WeakPolarHBondContact O-CG 3.42Å; I12-L16 PolarHBondContact O-N 3.19Å |
| 13 | P | 76.2 | Confident | 68.6 | Low | 61 Ų | 61 | 102.7 Ų | 102.7 | 40% | 0.396 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -32.8 | 179.4 | 25 | -33.7 | 0 | 0 | 0 | 112.1 | S9 R10 L16 L17 | S9-P13 WeakPolarHBondContact O-CD 3.25Å; S9-P13 VanDerWaalsContact O-CG 3.22Å; S9-P13 WeakPolarHBondContact O-CG 3.47Å; R10-P13 WeakPolarHBondContact O-CG 3.34Å; P13-L16 PolarHBondContact O-N 3.5Å; P13-L17 WeakPolarHBondContact O-CB 3.47Å; P13-L17 WeakPolarHBondContact O-CD1 3.29Å; P13-L17 VanDerWaalsContact O-CG 3.28Å; P13-L17 WeakPolarHBondContact O-CG 3.04Å; P13-L17 PolarHBondContact O-N 3.48Å |
| 14 | M | 75.8 | Confident | 68.7 | Low | 135 Ų | 135 | 102 Ų | 102 | 67% | 0.665 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.6 | -39.2 | 175.7 | -143.4 | -146 | -147.7 | 0 | 0 | 111.6 | S11 I12 L17 L18 | S11-M14 PolarHBondContact O-N 3.39Å; I12-M14 VanDerWaalsContact C-N 3.28Å; I12-M14 PolarHBondContact O-N 3.47Å; M14-L17 PolarHBondContact O-N 3.24Å; M14-L18 PolarHBondContact O-N 2.96Å |
| 15 | C | 75.7 | Confident | 68.8 | Low | 75 Ų | 75 | 99.5 Ų | 99.5 | 51% | 0.507 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 176.6 | -153.7 | 0 | 0 | 0 | 0 | 111.9 | S11 I12 L18 Q19 | S11-C15 WeakPolarHBondContact O-CB 3.16Å; S11-C15 PolarHBondContact O-N 2.94Å; I12-C15 PolarHBondContact O-N 3.38Å; C15-L18 PolarHBondContact O-N 2.96Å; C15-Q19 WeakPolarHBondContact O-CB 3.28Å; C15-Q19 WeakPolarHBondContact O-CG 3.4Å; C15-Q19 PolarHBondContact O-N 3.1Å |
| 16 | L | 76.6 | Confident | 69 | Low | 102 Ų | 102 | 101.5 Ų | 101.5 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 173.9 | -70.7 | 170.5 | 0 | 0 | 0 | 112 | I12 P13 Q19 S20 | I12-L16 HydrophobicContact CG2-CD1 3.88Å; I12-L16 HydrophobicContact CG2-CG 4.37Å; I12-L16 WeakPolarHBondContact O-CG 3.42Å; I12-L16 PolarHBondContact O-N 3.19Å; P13-L16 PolarHBondContact O-N 3.5Å; L16-Q19 PolarHBondContact O-N 3.46Å; L16-S20 WeakPolarHBondContact O-CB 3.44Å; L16-S20 PolarHBondContact O-N 3.41Å; L16-S20 PolarHBondContact O-OG 3.03Å |
| 17 | L | 78.5 | Confident | 68.9 | Low | 108 Ų | 108 | 101 Ų | 101 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 172.6 | -80.9 | 163.9 | 0 | 0 | 0 | 111.2 | P13 M14 S20 L21 | P13-L17 WeakPolarHBondContact O-CB 3.47Å; P13-L17 WeakPolarHBondContact O-CD1 3.29Å; P13-L17 VanDerWaalsContact O-CG 3.28Å; P13-L17 WeakPolarHBondContact O-CG 3.04Å; P13-L17 PolarHBondContact O-N 3.48Å; M14-L17 PolarHBondContact O-N 3.24Å; L17-S20 WeakPolarHBondContact CA-OG 3.33Å; L17-S20 PolarHBondContact O-N 3.41Å; L17-S20 PolarHBondContact O-OG 3.49Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 3.21Å |
| 18 | L | 78 | Confident | 68.6 | Low | 109 Ų | 109 | 98.4 Ų | 98.4 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.7 | -44.1 | 176.5 | -129.5 | 101.1 | 0 | 0 | 0 | 111.6 | M14 C15 S20 L21 V22 | M14-L18 PolarHBondContact O-N 2.96Å; C15-L18 PolarHBondContact O-N 2.96Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 3.06Å; L18-L21 PolarHBondContact O-N 3.18Å; L18-V22 WeakPolarHBondContact O-CB 3.31Å; L18-V22 VanDerWaalsContact O-CG2 3.25Å; L18-V22 WeakPolarHBondContact O-CG2 3.34Å; L18-V22 PolarHBondContact O-N 3.38Å |
| 19 | Q | 77.8 | Confident | 68.3 | Low | 114 Ų | 114 | 98 Ų | 98 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 175.1 | -80.1 | -179.9 | -34.4 | 0 | 0 | 111.8 | C15 L16 V22 L23 | C15-Q19 WeakPolarHBondContact O-CB 3.28Å; C15-Q19 WeakPolarHBondContact O-CG 3.4Å; C15-Q19 PolarHBondContact O-N 3.1Å; L16-Q19 PolarHBondContact O-N 3.46Å; Q19-V22 PolarHBondContact O-N 3.01Å; Q19-L23 VanDerWaalsContact O-CB 3.27Å; Q19-L23 WeakPolarHBondContact O-CB 3.4Å; Q19-L23 WeakPolarHBondContact O-CD1 3.43Å; Q19-L23 WeakPolarHBondContact O-CG 3.46Å; Q19-L23 PolarHBondContact O-N 3.09Å |
| 20 | S | 75.8 | Confident | 67.5 | Low | 52 Ų | 52 | 100 Ų | 100 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 175.5 | 75.5 | 0 | 0 | 0 | 0 | 112.3 | L16 L17 L18 L23 M24 | L16-S20 WeakPolarHBondContact O-CB 3.44Å; L16-S20 PolarHBondContact O-N 3.41Å; L16-S20 PolarHBondContact O-OG 3.03Å; L17-S20 WeakPolarHBondContact CA-OG 3.33Å; L17-S20 PolarHBondContact O-N 3.41Å; L17-S20 PolarHBondContact O-OG 3.49Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 3.06Å; S20-L23 PolarHBondContact O-N 3.07Å; S20-M24 WeakPolarHBondContact O-CB 3.46Å; S20-M24 WeakPolarHBondContact O-CG 3.44Å; S20-M24 PolarHBondContact O-N 3.02Å |
| 21 | L | 72.1 | Confident | 66.8 | Low | 117 Ų | 117 | 94.7 Ų | 94.7 | 61% | 0.613 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 174.4 | -95.4 | 152.7 | 0 | 0 | 0 | 111.8 | L17 L18 M24 A25 | L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 3.21Å; L18-L21 PolarHBondContact O-N 3.18Å; L21-M24 PolarHBondContact O-N 3.41Å; L21-A25 VanDerWaalsContact O-CB 3.3Å; L21-A25 WeakPolarHBondContact O-CB 3.43Å; L21-A25 PolarHBondContact O-N 3.35Å |
| 22 | V | 73.6 | Confident | 66.3 | Low | 76 Ų | 76 | 95.4 Ų | 95.4 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.4 | -42 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | L18 Q19 M24 A25 L26 | L18-V22 WeakPolarHBondContact O-CB 3.31Å; L18-V22 VanDerWaalsContact O-CG2 3.25Å; L18-V22 WeakPolarHBondContact O-CG2 3.34Å; L18-V22 PolarHBondContact O-N 3.38Å; Q19-V22 PolarHBondContact O-N 3.01Å; V22-M24 VanDerWaalsContact C-N 3.35Å; V22-M24 PolarHBondContact O-N 3Å; V22-A25 PolarHBondContact O-N 3.38Å; V22-L26 HydrophobicContact CG1-CD1 3.66Å; V22-L26 HydrophobicContact CG1-CG 4.28Å; V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 WeakPolarHBondContact O-CD1 3.45Å; V22-L26 WeakPolarHBondContact O-CG 3.32Å; V22-L26 PolarHBondContact O-N 2.87Å |
| 23 | L | 66.8 | Low | 66 | Low | 108 Ų | 108 | 98.2 Ų | 98.2 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.1 | -39.1 | 173.6 | -86 | 156.9 | 0 | 0 | 0 | 112 | Q19 S20 L26 C27 | Q19-L23 VanDerWaalsContact O-CB 3.27Å; Q19-L23 WeakPolarHBondContact O-CB 3.4Å; Q19-L23 WeakPolarHBondContact O-CD1 3.43Å; Q19-L23 WeakPolarHBondContact O-CG 3.46Å; Q19-L23 PolarHBondContact O-N 3.09Å; S20-L23 PolarHBondContact O-N 3.07Å; L23-L26 PolarHBondContact O-N 3.31Å; L23-C27 WeakPolarHBondContact O-CB 3.33Å; L23-C27 PolarHBondContact O-N 3.43Å; L23-C27 PolarHBondContact O-SG 3.33Å; L23-C27 VanDerWaalsContact O-SG 3.35Å |
| 24 | M | 62.7 | Low | 66.3 | Low | 104 Ų | 104 | 97.5 Ų | 97.5 | 51% | 0.512 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.5 | -45.3 | 173 | -72.9 | -66.1 | -84.4 | 0 | 0 | 110.8 | S20 L21 V22 L26 C27 F28 | S20-M24 WeakPolarHBondContact O-CB 3.46Å; S20-M24 WeakPolarHBondContact O-CG 3.44Å; S20-M24 PolarHBondContact O-N 3.02Å; L21-M24 PolarHBondContact O-N 3.41Å; V22-M24 VanDerWaalsContact C-N 3.35Å; V22-M24 PolarHBondContact O-N 3Å; M24-L26 VanDerWaalsContact C-N 3.29Å; M24-L26 PolarHBondContact O-N 3.47Å; M24-C27 CarbonylContact O-C 3.52Å; M24-C27 PolarHBondContact O-N 2.89Å; M24-F28 HydrophobicContact CB-CD2 4.45Å; M24-F28 HydrophobicContact CB-CE2 4.19Å; M24-F28 HydrophobicContact CE-CE2 3.64Å; M24-F28 HydrophobicContact CE-CZ 3.84Å; M24-F28 WeakPolarHBondContact O-CD2 3.45Å; M24-F28 PolarHBondContact O-N 3.45Å; M24-F28 HydrophobicContact SD-CE2 4.35Å |
| 25 | A | 61.9 | Low | 66.7 | Low | 69 Ų | 69 | 91.6 Ų | 91.6 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.8 | -31.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L21 V22 F28 | L21-A25 VanDerWaalsContact O-CB 3.3Å; L21-A25 WeakPolarHBondContact O-CB 3.43Å; L21-A25 PolarHBondContact O-N 3.35Å; V22-A25 PolarHBondContact O-N 3.38Å; A25-F28 VanDerWaalsContact O-O 3.14Å |
| 26 | L | 61.1 | Low | 67.1 | Low | 131 Ų | 131 | 97.6 Ų | 97.6 | 69% | 0.686 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -80.1 | -29.6 | 173.6 | -69.6 | 166.6 | 0 | 0 | 0 | 112.4 | V22 L23 M24 | V22-L26 HydrophobicContact CG1-CD1 3.66Å; V22-L26 HydrophobicContact CG1-CG 4.28Å; V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 WeakPolarHBondContact O-CD1 3.45Å; V22-L26 WeakPolarHBondContact O-CG 3.32Å; V22-L26 PolarHBondContact O-N 2.87Å; L23-L26 PolarHBondContact O-N 3.31Å; M24-L26 VanDerWaalsContact C-N 3.29Å; M24-L26 PolarHBondContact O-N 3.47Å |
| 27 | C | 57.1 | Low | 67.3 | Low | 92 Ų | 92 | 95.2 Ų | 95.2 | 62% | 0.622 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -81.9 | -14.6 | 174.2 | -81.5 | 0 | 0 | 0 | 0 | 113.8 | L23 M24 P29 | L23-C27 WeakPolarHBondContact O-CB 3.33Å; L23-C27 PolarHBondContact O-N 3.43Å; L23-C27 PolarHBondContact O-SG 3.33Å; L23-C27 VanDerWaalsContact O-SG 3.35Å; M24-C27 CarbonylContact O-C 3.52Å; M24-C27 PolarHBondContact O-N 2.89Å; C27-P29 WeakPolarHBondContact O-CD 3.37Å |
| 28 | F | 49.6 | Very low | 67.9 | Low | 135 Ų | 135 | 90.9 Ų | 90.9 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -96.4 | 77.5 | 161 | -62.8 | -66 | 0 | 0 | 0 | 107.8 | M24 A25 S30 | M24-F28 HydrophobicContact CB-CD2 4.45Å; M24-F28 HydrophobicContact CB-CE2 4.19Å; M24-F28 HydrophobicContact CE-CE2 3.64Å; M24-F28 HydrophobicContact CE-CZ 3.84Å; M24-F28 WeakPolarHBondContact O-CD2 3.45Å; M24-F28 PolarHBondContact O-N 3.45Å; M24-F28 HydrophobicContact SD-CE2 4.35Å; A25-F28 VanDerWaalsContact O-O 3.14Å; F28-S30 PolarHBondContact O-N 2.94Å |
| 29 | P | 50.7 | Low | 68.4 | Low | 74 Ų | 74 | 90 Ų | 90 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | trans | -53 | 123.7 | 159.5 | 26.4 | -30 | 0 | 0 | 0 | 104.7 | C27 A31 | C27-P29 WeakPolarHBondContact O-CD 3.37Å; P29-A31 PolarHBondContact O-N 2.93Å | ||
| 30 | S | 43.9 | Very low | 68.9 | Low | 113 Ų | 113 | 86.1 Ų | 86.1 | 79% | 0.79 | 51% | 0.512 | S | S | * | . | trans | -19.8 | 105.8 | -178.7 | -55.3 | 0 | 0 | 0 | 0 | 109.1 | F28 S32 | F28-S30 PolarHBondContact O-N 2.94Å; S30-S32 VanDerWaalsContact C-N 3.34Å; S30-S32 PolarHBondContact O-N 3.36Å | ||
| 31 | A | 47.8 | Very low | 69.4 | Low | 83 Ų | 83 | 88.6 Ų | 88.6 | 69% | 0.686 | 52% | 0.517 | S | S | * | . | trans | -46.2 | 108.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | P29 M33 | P29-A31 PolarHBondContact O-N 2.93Å; A31-M33 PolarHBondContact O-N 3.5Å | ||
| 32 | S | 58.3 | Low | 69.7 | Low | 58 Ų | 58 | 89.7 Ų | 89.7 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | trans | -66.8 | 93.9 | 178.5 | 47.9 | 0 | 0 | 0 | 0 | 103.3 | S30 C34 | S30-S32 VanDerWaalsContact C-N 3.34Å; S30-S32 PolarHBondContact O-N 3.36Å; S32-C34 PolarHBondContact O-N 3.36Å | ||
| 33 | M | 65.6 | Low | 69.3 | Low | 146 Ų | 146 | 88.3 Ų | 88.3 | 72% | 0.719 | 51% | 0.51 | S | S | * | . | trans | -63.9 | 96.6 | -176.5 | -73.3 | 179.6 | 64.3 | 0 | 0 | 105.4 | A31 | A31-M33 PolarHBondContact O-N 3.5Š| ||
| 34 | C | 82.8 | Confident | 68.8 | Low | 46 Ų | 46 | 92.9 Ų | 92.9 | 31% | 0.311 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 134.8 | 175.7 | -161 | 0 | 0 | 0 | 0 | 107 | S32 C38 C40 | S32-C34 PolarHBondContact O-N 3.36Å; C34-C38 VanDerWaalsContact SG-C 3.56Å; C34-C38 PolarHBondContact SG-O 3.37Å; C34-C40 WeakPolarHBondContact CA-SG 3.48Å; C34-C40 HydrophobicContact CB-CB 3.77Å; C34-C40 WeakPolarHBondContact CB-SG 3.3Å; C34-C40 WeakPolarHBondContact SG-CB 3.49Å; C34-C40 PolarHBondContact SG-N 2.9Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 3.14Å |
| 35 | P | 85 | Confident | 68.4 | Low | 12 Ų | 12 | 92.8 Ų | 92.8 | 8% | 0.078 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 151.1 | 178.2 | -14.4 | 21.5 | 0 | 0 | 0 | 111.2 | G37 C38 P75 L78 | P35-G37 PolarHBondContact O-N 2.77Å; P35-C38 HydrophobicContact CB-CB 4.19Å; P35-C38 HydrophobicContact CG-CB 4.21Å; P35-C38 WeakPolarHBondContact O-CB 2.92Å; P35-C38 PolarHBondContact O-N 2.91Å; P35-P75 HydrophobicContact CB-CB 3.74Å; P35-P75 HydrophobicContact CB-CG 4.08Å; P35-P75 HydrophobicContact CG-CB 3.95Å; P35-P75 HydrophobicContact CG-CG 4.37Å; P35-L78 HydrophobicContact CG-CD2 4.03Å |
| 36 | K | 83.6 | Confident | 67.7 | Low | 201 Ų | 201 | 95.5 Ų | 95.5 | 87% | 0.874 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 128.3 | 176.5 | -69.5 | -177.4 | 179.7 | 174.6 | 0 | 109.8 | C38 | K36-C38 VanDerWaalsContact C-N 3.32Š|
| 37 | G | 81.5 | Confident | 67.3 | Low | 51 Ų | 51 | 95.7 Ų | 95.7 | 53% | 0.526 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 6.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P35 S69 | P35-G37 PolarHBondContact O-N 2.77Å; G37-S69 WeakPolarHBondContact O-CB 3.42Å; G37-S69 PolarHBondContact O-OG 3.38Å |
| 38 | C | 89.5 | Confident | 67 | Low | 17 Ų | 17 | 94.5 Ų | 94.5 | 12% | 0.115 | 54% | 0.544 | C | S | . | . | trans | -110.5 | 152 | 172.5 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | C34 P35 K36 V64 T65 C66 | C34-C38 VanDerWaalsContact SG-C 3.56Å; C34-C38 PolarHBondContact SG-O 3.37Å; P35-C38 HydrophobicContact CB-CB 4.19Å; P35-C38 HydrophobicContact CG-CB 4.21Å; P35-C38 WeakPolarHBondContact O-CB 2.92Å; P35-C38 PolarHBondContact O-N 2.91Å; K36-C38 VanDerWaalsContact C-N 3.32Å; C38-V64 HydrophobicContact CB-CG1 4.25Å; C38-T65 CarbonylContact C-O 3.54Å; C38-T65 VanDerWaalsContact CA-O 3.32Å; C38-T65 WeakPolarHBondContact CA-O 3.32Å; C38-C66 HydrophobicContact CB-CB 4.02Å; C38-C66 WeakPolarHBondContact CB-SG 2.97Å; C38-C66 WeakPolarHBondContact SG-CB 3.45Å; C38-C66 CovalentContact SG-SG 2.02Å; C38-C66 PolarHBondContact SG-SG 3.37Å | ||
| 39 | V | 89.4 | Confident | 66.9 | Low | 92 Ų | 92 | 94.1 Ų | 94.1 | 56% | 0.558 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118.9 | 171.7 | -179.6 | 0 | 0 | 0 | 0 | 108 | T65 | V39-T65 PolarHBondContact N-O 2.96Å; V39-T65 PolarHBondContact O-N 3.48Å; V39-T65 PolarHBondContact O-OG1 3.33Å |
| 40 | C | 88.6 | Confident | 66.6 | Low | 32 Ų | 32 | 99.8 Ų | 99.8 | 22% | 0.216 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.6 | 180 | -62.3 | 0 | 0 | 0 | 0 | 109 | C34 L62 N63 | C34-C40 WeakPolarHBondContact CA-SG 3.48Å; C34-C40 HydrophobicContact CB-CB 3.77Å; C34-C40 WeakPolarHBondContact CB-SG 3.3Å; C34-C40 WeakPolarHBondContact SG-CB 3.49Å; C34-C40 PolarHBondContact SG-N 2.9Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 3.14Å; C40-L62 HydrophobicContact CB-CD1 4.28Å; C40-L62 HydrophobicContact CB-CD2 4.14Å; C40-L62 HydrophobicContact CB-CG 4.39Å; C40-N63 WeakPolarHBondContact CA-O 3.17Å |
| 41 | Q | 85.2 | Confident | 67 | Low | 103 Ų | 103 | 101.1 Ų | 101.1 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.6 | -179.9 | -172.1 | 171.2 | -0.1 | 0 | 0 | 109.5 | A43 N63 | Q41-A43 PolarHBondContact O-N 3.38Å; Q41-N63 PolarHBondContact N-O 3.24Å; Q41-N63 PolarHBondContact O-N 3.41Å |
| 42 | R | 79.9 | Confident | 66.9 | Low | 140 Ų | 140 | 100 Ų | 100 | 53% | 0.528 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65 | 130.7 | 168.9 | -69.7 | -175 | -177.7 | 116 | 2.4 | 108.1 | R44 L62 | R42-R44 PolarHBondContact O-N 3.01Å; R42-L62 HydrophobicContact CG-CD1 3.94Å |
| 43 | A | 65.3 | Low | 66.6 | Low | 47 Ų | 47 | 104.2 Ų | 104.2 | 39% | 0.388 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 129.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q41 L60 G61 | Q41-A43 PolarHBondContact O-N 3.38Å; A43-L60 WeakPolarHBondContact O-CD2 3.18Å; A43-G61 WeakPolarHBondContact CB-O 3.41Å; A43-G61 PolarHBondContact N-O 3.21Å; A43-G61 VanDerWaalsContact N-O 3.15Å |
| 44 | R | 56.1 | Low | 65.7 | Low | 204 Ų | 204 | 99.2 Ų | 99.2 | 77% | 0.77 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 138.7 | 171.9 | -74.6 | -178.2 | -174.8 | 155.4 | 2.3 | 107.5 | R42 D46 | R42-R44 PolarHBondContact O-N 3.01Å; R44-D46 PolarHBondContact O-N 3.44Å |
| 45 | P | 53.9 | Low | 63.9 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 66% | 0.662 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 128.7 | 168.4 | 25 | -31.1 | 0 | 0 | 0 | 108.5 | ||
| 46 | D | 47.8 | Very low | 62.1 | Low | 127 Ų | 127 | 111.1 Ų | 111.1 | 68% | 0.679 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 128.8 | 176.5 | -75.2 | -40.8 | 0 | 0 | 0 | 109.9 | R44 G48 L49 | R44-D46 PolarHBondContact O-N 3.44Å; D46-G48 PolarHBondContact O-N 2.91Å; D46-L49 PolarHBondContact O-N 3.45Å |
| 47 | P | 51 | Low | 60.3 | Low | 135 Ų | 135 | 104.4 Ų | 104.4 | 88% | 0.877 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -2.5 | -178.7 | 26.2 | -32.6 | 0 | 0 | 0 | 113.9 | ||
| 48 | G | 50.8 | Low | 58.8 | Low | 67 Ų | 67 | 108.5 Ų | 108.5 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -2.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | D46 | D46-G48 PolarHBondContact O-N 2.91Š|
| 49 | L | 48.2 | Very low | 56.9 | Low | 126 Ų | 126 | 116.5 Ų | 116.5 | 66% | 0.66 | 67% | 0.67 | S | S | * | * | trans | -107.1 | 91.7 | -179.5 | -146.3 | 76.4 | 0 | 0 | 0 | 109.5 | D46 L51 | D46-L49 PolarHBondContact O-N 3.45Å; L49-L51 VanDerWaalsContact C-N 3.25Å; L49-L51 HydrophobicContact CB-CD1 4.39Å; L49-L51 HydrophobicContact CD2-CD1 3.37Å; L49-L51 HydrophobicContact CG-CD1 3.66Å; L49-L51 PolarHBondContact O-N 3.17Å | ||
| 50 | H | 44.3 | Very low | 55.7 | Low | 194 Ų | 194 | 115 Ų | 115 | 90% | 0.898 | 66% | 0.659 | S | S | * | * | trans | -66.3 | 83.3 | 170.8 | -77.3 | -74.8 | 0 | 0 | 0 | 110.2 | ||||
| 51 | L | 51.4 | Low | 54.9 | Low | 140 Ų | 140 | 114.1 Ų | 114.1 | 73% | 0.733 | 66% | 0.655 | S | S | * | * | trans | -95.6 | 119.2 | 155.5 | -82.1 | 103 | 0 | 0 | 0 | 108.2 | L49 | L49-L51 VanDerWaalsContact C-N 3.25Å; L49-L51 HydrophobicContact CB-CD1 4.39Å; L49-L51 HydrophobicContact CD2-CD1 3.37Å; L49-L51 HydrophobicContact CG-CD1 3.66Å; L49-L51 PolarHBondContact O-N 3.17Å | ||
| 52 | G | 47.1 | Very low | 55 | Low | 60 Ų | 60 | 109.7 Ų | 109.7 | 62% | 0.619 | 64% | 0.635 | S | S | * | * | trans | -58.3 | 168.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | G54 | G52-G54 PolarHBondContact O-N 2.85Š| ||
| 53 | P | 50.9 | Low | 55.4 | Low | 146 Ų | 146 | 105.6 Ų | 105.6 | 95% | 0.948 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -74 | 78.8 | -176.4 | 32.3 | -33.3 | 0 | 0 | 0 | 109.9 | ||
| 54 | G | 47.7 | Very low | 56.7 | Low | 42 Ų | 42 | 103.3 Ų | 103.3 | 43% | 0.433 | 61% | 0.605 | S | S | . | * | trans | -98.5 | 153.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G52 L56 G57 | G52-G54 PolarHBondContact O-N 2.85Å; G54-L56 PolarHBondContact O-N 3.22Å; G54-G57 PolarHBondContact O-N 3.44Å | ||
| 55 | P | 45 | Very low | 58.4 | Low | 141 Ų | 141 | 95.8 Ų | 95.8 | 92% | 0.916 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 11.7 | -178.3 | 30.4 | -34.5 | 0 | 0 | 0 | 114.2 | ||
| 56 | L | 46.1 | Very low | 60.3 | Low | 167 Ų | 167 | 90.9 Ų | 90.9 | 87% | 0.874 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | 23.4 | -179.2 | -64.9 | 172.2 | 0 | 0 | 0 | 112.6 | G54 L58 | G54-L56 PolarHBondContact O-N 3.22Å; L56-L58 VanDerWaalsContact C-N 3.3Å; L56-L58 PolarHBondContact O-N 3.27Å |
| 57 | G | 46.3 | Very low | 62.5 | Low | 60 Ų | 60 | 88.2 Ų | 88.2 | 62% | 0.619 | 54% | 0.538 | S | S | * | . | trans | -81.1 | 24.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | G54 | G54-G57 PolarHBondContact O-N 3.44Š| ||
| 58 | L | 49.3 | Very low | 64.4 | Low | 136 Ų | 136 | 83.9 Ų | 83.9 | 71% | 0.712 | 52% | 0.518 | S | S | * | . | trans | -145.6 | 71.6 | -170.4 | -86 | 146 | 0 | 0 | 0 | 112.7 | L56 L60 | L56-L58 VanDerWaalsContact C-N 3.3Å; L56-L58 PolarHBondContact O-N 3.27Å; L58-L60 HydrophobicContact CD2-CD1 3.5Å; L58-L60 VanDerWaalsContact CD2-CD1 3.5Å; L58-L60 HydrophobicContact CG-CD1 4.18Å | ||
| 59 | F | 51.2 | Low | 66.4 | Low | 185 Ų | 185 | 82.7 Ų | 82.7 | 81% | 0.811 | 50% | 0.499 | S | S | * | . | trans | -115.2 | 64.6 | 141.2 | -79.2 | -74.1 | 0 | 0 | 0 | 107.6 | G61 L105 | F59-G61 VanDerWaalsContact C-N 3.29Å; F59-G61 PolarHBondContact O-N 2.99Å; F59-L105 HydrophobicContact CD1-CD1 3.99Å; F59-L105 HydrophobicContact CE1-CD1 4.48Å | ||
| 60 | L | 63.1 | Low | 68.5 | Low | 60 Ų | 60 | 86.2 Ų | 86.2 | 31% | 0.314 | 50% | 0.503 | S | S | . | . | trans | -73 | 91.9 | 170.2 | -76.2 | 150 | 0 | 0 | 0 | 106.4 | A43 L58 | A43-L60 WeakPolarHBondContact O-CD2 3.18Å; L58-L60 HydrophobicContact CD2-CD1 3.5Å; L58-L60 VanDerWaalsContact CD2-CD1 3.5Å; L58-L60 HydrophobicContact CG-CD1 4.18Å | ||
| 61 | G | 72.8 | Confident | 70.7 | Confident | 14 Ų | 14 | 78.4 Ų | 78.4 | 14% | 0.144 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 141.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A43 F59 | A43-G61 WeakPolarHBondContact CB-O 3.41Å; A43-G61 PolarHBondContact N-O 3.21Å; A43-G61 VanDerWaalsContact N-O 3.15Å; F59-G61 VanDerWaalsContact C-N 3.29Å; F59-G61 PolarHBondContact O-N 2.99Å |
| 62 | L | 85.8 | Confident | 72.7 | Confident | 11 Ų | 11 | 78.4 Ų | 78.4 | 6% | 0.058 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 130.3 | 176.3 | -170.2 | 74.5 | 0 | 0 | 0 | 109.3 | C40 R42 V64 P79 D81 T82 A83 V84 | C40-L62 HydrophobicContact CB-CD1 4.28Å; C40-L62 HydrophobicContact CB-CD2 4.14Å; C40-L62 HydrophobicContact CB-CG 4.39Å; R42-L62 HydrophobicContact CG-CD1 3.94Å; L62-V64 HydrophobicContact CD2-CG2 3.75Å; L62-V64 HydrophobicContact CG-CG2 4.02Å; L62-P79 HydrophobicContact CD2-CB 3.53Å; L62-P79 HydrophobicContact CD2-CG 3.5Å; L62-P79 VanDerWaalsContact CD2-CG 3.5Å; L62-D81 WeakPolarHBondContact CB-O 3.37Å; L62-D81 PolarHBondContact N-O 3.38Å; L62-T82 WeakPolarHBondContact O-CA 3.15Å; L62-A83 PolarHBondContact O-N 3.38Å; L62-V84 PolarHBondContact O-N 2.98Å |
| 63 | N | 89.6 | Confident | 74.9 | Confident | 53 Ų | 53 | 82.9 Ų | 82.9 | 28% | 0.283 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 117.4 | 170.6 | -169.2 | -2.9 | 0 | 0 | 0 | 108.4 | C40 Q41 V84 | C40-N63 WeakPolarHBondContact CA-O 3.17Å; Q41-N63 PolarHBondContact N-O 3.24Å; Q41-N63 PolarHBondContact O-N 3.41Å; N63-V84 HydrophobicContact CB-CB 4.33Å; N63-V84 WeakPolarHBondContact OD1-CB 2.96Å; N63-V84 VanDerWaalsContact OD1-CG1 3.26Å; N63-V84 WeakPolarHBondContact OD1-CG1 3.44Å; N63-V84 PolarHBondContact OD1-O 2.96Å |
| 64 | V | 91.9 | Very high | 76.8 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.1 | -179.2 | -179.2 | 0 | 0 | 0 | 0 | 108 | C38 L62 L78 T82 V84 L85 R86 | C38-V64 HydrophobicContact CB-CG1 4.25Å; L62-V64 HydrophobicContact CD2-CG2 3.75Å; L62-V64 HydrophobicContact CG-CG2 4.02Å; V64-L78 HydrophobicContact CG1-CD2 4.15Å; V64-T82 HydrophobicContact CB-CG2 4.05Å; V64-T82 HydrophobicContact CG2-CG2 3.71Å; V64-T82 WeakPolarHBondContact CG2-OG1 2.99Å; V64-V84 PolarHBondContact N-O 2.91Å; V64-L85 HydrophobicContact CB-CD1 3.95Å; V64-L85 HydrophobicContact CG1-CD1 3.86Å; V64-L85 WeakPolarHBondContact O-CA 3.36Å; V64-R86 PolarHBondContact O-N 3.46Å |
| 65 | T | 92.9 | Very high | 78.8 | Confident | 45 Ų | 45 | 75.7 Ų | 75.7 | 28% | 0.276 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.5 | -177.7 | 56.4 | 0 | 0 | 0 | 0 | 110 | C38 V39 R86 | C38-T65 CarbonylContact C-O 3.54Å; C38-T65 VanDerWaalsContact CA-O 3.32Å; C38-T65 WeakPolarHBondContact CA-O 3.32Å; V39-T65 PolarHBondContact N-O 2.96Å; V39-T65 PolarHBondContact O-N 3.48Å; V39-T65 PolarHBondContact O-OG1 3.33Å; T65-R86 HydrophobicContact CG2-CB 4.18Å; T65-R86 HydrophobicContact CG2-CG 4.4Å |
| 66 | C | 93.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 41% | 0.405 | C | S | . | . | trans | -128.7 | 32.3 | -178.7 | -41.8 | 0 | 0 | 0 | 0 | 111.3 | C38 G68 S69 L71 R86 L87 N90 | C38-C66 HydrophobicContact CB-CB 4.02Å; C38-C66 WeakPolarHBondContact CB-SG 2.97Å; C38-C66 WeakPolarHBondContact SG-CB 3.45Å; C38-C66 CovalentContact SG-SG 2.02Å; C38-C66 PolarHBondContact SG-SG 3.37Å; C66-G68 PolarHBondContact O-N 3.03Å; C66-S69 WeakPolarHBondContact O-CB 3.49Å; C66-S69 PolarHBondContact O-OG 2.9Å; C66-L71 HydrophobicContact CB-CD1 3.79Å; C66-R86 PolarHBondContact N-O 2.97Å; C66-L87 HydrophobicContact CB-CD2 3.8Å; C66-N90 PolarHBondContact O-ND2 3.03Å | ||
| 67 | T | 93.2 | Very high | 82.5 | Confident | 70 Ų | 70 | 71.9 Ų | 71.9 | 43% | 0.429 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 129.4 | -175.2 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | S69 D88 H89 | T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.5Å; T67-D88 VanDerWaalsContact CA-O 3.31Å; T67-D88 WeakPolarHBondContact CA-O 3.4Å; T67-D88 WeakPolarHBondContact CG2-OD2 3.48Å; T67-D88 PolarHBondContact OG1-OD1 3.12Å; T67-H89 HydrophobicContact CG2-CB 4.21Å |
| 68 | G | 92.5 | Very high | 84.5 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 13.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | C66 R70 D88 H89 | C66-G68 PolarHBondContact O-N 3.03Å; G68-R70 PolarHBondContact O-N 3.19Å; G68-D88 PolarHBondContact N-O 3.35Å; G68-H89 VanDerWaalsContact CA-O 3.26Å; G68-H89 WeakPolarHBondContact CA-O 3.25Å; G68-H89 PolarHBondContact N-O 3.49Å |
| 69 | S | 91.3 | Very high | 86.3 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 29% | 0.287 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -82.8 | 8.5 | -174 | -61.2 | 0 | 0 | 0 | 0 | 114.6 | G37 C66 T67 L71 N90 | G37-S69 WeakPolarHBondContact O-CB 3.42Å; G37-S69 PolarHBondContact O-OG 3.38Å; C66-S69 WeakPolarHBondContact O-CB 3.49Å; C66-S69 PolarHBondContact O-OG 2.9Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.5Å; S69-L71 PolarHBondContact O-N 2.97Å; S69-N90 WeakPolarHBondContact CA-OD1 3.46Å; S69-N90 PolarHBondContact N-OD1 3.38Å |
| 70 | R | 92.7 | Very high | 88 | Confident | 200 Ų | 200 | 59.4 Ų | 59.4 | 76% | 0.755 | 32% | 0.324 | S | S | * | . | trans | 54.1 | 33 | -179.1 | -52.7 | -179 | -173.9 | -162.1 | 0.4 | 112.8 | G68 K72 N90 | G68-R70 PolarHBondContact O-N 3.19Å; R70-K72 PolarHBondContact O-N 3.28Å; R70-N90 PolarHBondContact N-OD1 2.89Å | ||
| 71 | L | 91.6 | Very high | 89.1 | Confident | 30 Ų | 30 | 61.1 Ų | 61.1 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | trans | -68.2 | 131 | 179.1 | -61.5 | 173.9 | 0 | 0 | 0 | 109.5 | C66 S69 P75 L87 N90 Q91 I92 | C66-L71 HydrophobicContact CB-CD1 3.79Å; S69-L71 PolarHBondContact O-N 2.97Å; L71-P75 HydrophobicContact CD1-CG 4.08Å; L71-L87 HydrophobicContact CD1-CD2 3.97Å; L71-N90 HydrophobicContact CB-CB 4.1Å; L71-N90 PolarHBondContact N-OD1 2.89Å; L71-Q91 CarbonylContact O-C 3.58Å; L71-Q91 VanDerWaalsContact O-CA 3.26Å; L71-Q91 WeakPolarHBondContact O-CA 3.02Å; L71-Q91 PolarHBondContact O-N 3.49Å; L71-I92 HydrophobicContact CB-CG1 4.43Å; L71-I92 PolarHBondContact O-N 3.32Å | ||
| 72 | K | 92.6 | Very high | 89.9 | Confident | 140 Ų | 140 | 60.5 Ų | 60.5 | 61% | 0.609 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -90.8 | -20.6 | 174.1 | -66.3 | -175.1 | 176.8 | -175.1 | 0 | 113 | R70 I92 | R70-K72 PolarHBondContact O-N 3.28Å; K72-I92 WeakPolarHBondContact O-CA 3.42Å |
| 73 | E | 92.5 | Very high | 90.1 | Very high | 155 Ų | 155 | 60.6 Ų | 60.6 | 72% | 0.724 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -144.8 | 159.6 | -174.5 | -66.3 | 174.7 | -161.2 | 0 | 0 | 108.7 | ||
| 74 | I | 92.4 | Very high | 90.2 | Very high | 20 Ų | 20 | 59.5 Ų | 59.5 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | trans | -71.3 | 128.1 | 176.1 | -61.9 | 162.5 | 0 | 0 | 0 | 108.2 | L78 L87 I92 V95 A99 F100 | I74-L78 HydrophobicContact CG2-CD1 3.9Å; I74-L87 HydrophobicContact CG1-CD1 4.16Å; I74-L87 HydrophobicContact CG2-CD1 4.16Å; I74-I92 HydrophobicContact CG1-CD1 4.18Å; I74-I92 HydrophobicContact CG1-CG2 4.34Å; I74-V95 HydrophobicContact CD1-CB 4.39Å; I74-V95 HydrophobicContact CD1-CG1 3.8Å; I74-V95 HydrophobicContact CD1-CG2 4.26Å; I74-A99 HydrophobicContact CD1-CB 3.89Å; I74-F100 HydrophobicContact CD1-CE1 3.98Å; I74-F100 HydrophobicContact CD1-CE2 4.32Å; I74-F100 HydrophobicContact CD1-CZ 3.53Å; I74-F100 HydrophobicContact CG2-CE1 4.09Å | ||
| 75 | P | 88.8 | Confident | 90.3 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 10% | 0.104 | 33% | 0.325 | C | S | . | . | trans | -60.4 | 131 | 179.2 | -20.6 | 30.8 | 0 | 0 | 0 | 111.1 | P35 L71 D77 L78 | P35-P75 HydrophobicContact CB-CB 3.74Å; P35-P75 HydrophobicContact CB-CG 4.08Å; P35-P75 HydrophobicContact CG-CB 3.95Å; P35-P75 HydrophobicContact CG-CG 4.37Å; L71-P75 HydrophobicContact CD1-CG 4.08Å; P75-D77 VanDerWaalsContact C-N 3.28Å; P75-D77 PolarHBondContact O-N 3.04Å; P75-L78 WeakPolarHBondContact O-CD1 2.92Å; P75-L78 WeakPolarHBondContact O-CG 3.36Å | ||
| 76 | P | 84.6 | Confident | 90.4 | Very high | 120 Ų | 120 | 62.2 Ų | 62.2 | 78% | 0.779 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -71.9 | -25.9 | 178.3 | 28.3 | -34.4 | 0 | 0 | 0 | 112.4 | L78 | P76-L78 PolarHBondContact O-N 3.43Š|
| 77 | D | 84.5 | Confident | 90.5 | Very high | 108 Ų | 108 | 62.2 Ų | 62.2 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | trans | -86.7 | 48.7 | -175.1 | -56.7 | -39.6 | 0 | 0 | 0 | 112.2 | P75 | P75-D77 VanDerWaalsContact C-N 3.28Å; P75-D77 PolarHBondContact O-N 3.04Å | ||
| 78 | L | 88.8 | Confident | 90.7 | Very high | 24 Ų | 24 | 59.6 Ų | 59.6 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | trans | -83.9 | 133.1 | 177.4 | -72.7 | 166.7 | 0 | 0 | 0 | 111.1 | P35 V64 I74 P75 P76 L85 L103 | P35-L78 HydrophobicContact CG-CD2 4.03Å; V64-L78 HydrophobicContact CG1-CD2 4.15Å; I74-L78 HydrophobicContact CG2-CD1 3.9Å; P75-L78 WeakPolarHBondContact O-CD1 2.92Å; P75-L78 WeakPolarHBondContact O-CG 3.36Å; P76-L78 PolarHBondContact O-N 3.43Å; L78-L85 HydrophobicContact CD1-CD2 3.76Å; L78-L85 HydrophobicContact CD2-CD1 3.83Å; L78-L85 HydrophobicContact CD2-CD2 4.43Å; L78-L103 HydrophobicContact CB-CD1 4.38Å; L78-L103 HydrophobicContact CB-CD2 4.04Å; L78-L103 HydrophobicContact CD1-CD1 4.11Å | ||
| 79 | P | 87.3 | Confident | 90.9 | Very high | 13 Ų | 13 | 62.1 Ų | 62.1 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | trans | -63.9 | 136.5 | 179.3 | -22 | 33.9 | 0 | 0 | 0 | 111.6 | L62 D81 T82 L103 | L62-P79 HydrophobicContact CD2-CB 3.53Å; L62-P79 HydrophobicContact CD2-CG 3.5Å; L62-P79 VanDerWaalsContact CD2-CG 3.5Å; P79-D81 PolarHBondContact O-N 3.42Å; P79-T82 VanDerWaalsContact O-CB 3.3Å; P79-T82 WeakPolarHBondContact O-CB 2.88Å; P79-T82 PolarHBondContact O-N 2.89Å; P79-T82 VanDerWaalsContact O-N 3.12Å; P79-T82 PolarHBondContact O-OG1 2.87Å; P79-L103 WeakPolarHBondContact O-CD2 2.93Å | ||
| 80 | P | 87.1 | Confident | 91.1 | Very high | 82 Ų | 82 | 60.7 Ų | 60.7 | 53% | 0.532 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24.6 | -177.6 | 26 | -34.9 | 0 | 0 | 0 | 113.5 | T82 | P80-T82 PolarHBondContact O-N 3.46Š|
| 81 | D | 86 | Confident | 91.3 | Very high | 97 Ų | 97 | 55.8 Ų | 55.8 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 8.8 | 179.5 | -55.7 | -31.8 | 0 | 0 | 0 | 113.2 | L62 P79 A83 | L62-D81 WeakPolarHBondContact CB-O 3.37Å; L62-D81 PolarHBondContact N-O 3.38Å; P79-D81 PolarHBondContact O-N 3.42Å; D81-A83 PolarHBondContact O-N 3.23Å |
| 82 | T | 88.8 | Confident | 91.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 120.2 | 179.7 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | L62 V64 P79 P80 V84 L85 L105 L106 | L62-T82 WeakPolarHBondContact O-CA 3.15Å; V64-T82 HydrophobicContact CB-CG2 4.05Å; V64-T82 HydrophobicContact CG2-CG2 3.71Å; V64-T82 WeakPolarHBondContact CG2-OG1 2.99Å; P79-T82 VanDerWaalsContact O-CB 3.3Å; P79-T82 WeakPolarHBondContact O-CB 2.88Å; P79-T82 PolarHBondContact O-N 2.89Å; P79-T82 VanDerWaalsContact O-N 3.12Å; P79-T82 PolarHBondContact O-OG1 2.87Å; P80-T82 PolarHBondContact O-N 3.46Å; T82-V84 WeakPolarHBondContact CG2-O 3.35Å; T82-L85 HydrophobicContact CG2-CB 4.06Å; T82-L105 CarbonylContact O-C 3.41Å; T82-L106 HydrophobicContact CG2-CD1 4.05Å; T82-L106 WeakPolarHBondContact O-CA 3.46Å; T82-L106 PolarHBondContact O-N 3.34Å |
| 83 | A | 90.3 | Very high | 91.6 | Very high | 13 Ų | 13 | 53 Ų | 53 | 11% | 0.107 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -31.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L62 D81 L105 R107 E108 | L62-A83 PolarHBondContact O-N 3.38Å; D81-A83 PolarHBondContact O-N 3.23Å; A83-L105 WeakPolarHBondContact CA-O 3.31Å; A83-R107 PolarHBondContact O-N 3.3Å; A83-E108 PolarHBondContact O-N 3.22Å |
| 84 | V | 91.7 | Very high | 91.7 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 19% | 0.188 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.3 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 107.6 | L62 N63 V64 T82 R86 E108 | L62-V84 PolarHBondContact O-N 2.98Å; N63-V84 HydrophobicContact CB-CB 4.33Å; N63-V84 WeakPolarHBondContact OD1-CB 2.96Å; N63-V84 VanDerWaalsContact OD1-CG1 3.26Å; N63-V84 WeakPolarHBondContact OD1-CG1 3.44Å; N63-V84 PolarHBondContact OD1-O 2.96Å; V64-V84 PolarHBondContact N-O 2.91Å; T82-V84 WeakPolarHBondContact CG2-O 3.35Å; V84-R86 HydrophobicContact CG1-CG 4.25Å; V84-E108 HydrophobicContact CG1-CB 4.14Å; V84-E108 HydrophobicContact CG1-CG 4.32Å; V84-E108 HydrophobicContact CG2-CB 4.24Å |
| 85 | L | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 114.1 | 178.7 | -179.4 | 56 | 0 | 0 | 0 | 109.5 | V64 L78 T82 L87 F100 L103 L106 E108 L109 N110 | V64-L85 HydrophobicContact CB-CD1 3.95Å; V64-L85 HydrophobicContact CG1-CD1 3.86Å; V64-L85 WeakPolarHBondContact O-CA 3.36Å; L78-L85 HydrophobicContact CD1-CD2 3.76Å; L78-L85 HydrophobicContact CD2-CD1 3.83Å; L78-L85 HydrophobicContact CD2-CD2 4.43Å; T82-L85 HydrophobicContact CG2-CB 4.06Å; L85-L87 HydrophobicContact CD1-CD1 4.34Å; L85-L87 HydrophobicContact CD1-CD2 4.16Å; L85-L87 HydrophobicContact CD1-CG 3.99Å; L85-L87 HydrophobicContact CD2-CD1 3.99Å; L85-L87 HydrophobicContact CD2-CG 4.46Å; L85-L87 HydrophobicContact CG-CD1 4.04Å; L85-L87 HydrophobicContact CG-CG 3.98Å; L85-F100 HydrophobicContact CD2-CD1 4.07Å; L85-F100 HydrophobicContact CD2-CE1 3.89Å; L85-L103 HydrophobicContact CD2-CD1 4.22Å; L85-L106 HydrophobicContact CB-CD1 3.67Å; L85-E108 PolarHBondContact N-O 3.04Å; L85-L109 HydrophobicContact CB-CD1 4.08Å; L85-L109 HydrophobicContact CD2-CD1 3.88Å; L85-L109 HydrophobicContact CG-CD1 3.95Å; L85-L109 WeakPolarHBondContact O-CA 3.02Å; L85-N110 PolarHBondContact O-N 3.33Å |
| 86 | R | 95.4 | Very high | 92 | Very high | 101 Ų | 101 | 49 Ų | 49 | 38% | 0.381 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 111.8 | 176.5 | -65.6 | -166.8 | 156.9 | -161 | -9.5 | 110.3 | V64 T65 C66 V84 E108 N110 | V64-R86 PolarHBondContact O-N 3.46Å; T65-R86 HydrophobicContact CG2-CB 4.18Å; T65-R86 HydrophobicContact CG2-CG 4.4Å; C66-R86 PolarHBondContact N-O 2.97Å; V84-R86 HydrophobicContact CG1-CG 4.25Å; R86-E108 IonicContact CZ-OE1 3.62Å; R86-E108 IonicContact NE-OE1 3.32Å; R86-E108 PolarHBondContact NE-OE1 3.44Å; R86-E108 IonicContact NH2-OE1 2.98Å; R86-E108 PolarHBondContact NH2-OE1 2.89Å; R86-N110 HydrophobicContact CG-CB 4.28Å |
| 87 | L | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -119 | 21.8 | 178.3 | -65.8 | 173 | 0 | 0 | 0 | 110.6 | C66 L71 I74 L85 N90 I92 N110 L111 N114 | C66-L87 HydrophobicContact CB-CD2 3.8Å; L71-L87 HydrophobicContact CD1-CD2 3.97Å; I74-L87 HydrophobicContact CG1-CD1 4.16Å; I74-L87 HydrophobicContact CG2-CD1 4.16Å; L85-L87 HydrophobicContact CD1-CD1 4.34Å; L85-L87 HydrophobicContact CD1-CD2 4.16Å; L85-L87 HydrophobicContact CD1-CG 3.99Å; L85-L87 HydrophobicContact CD2-CD1 3.99Å; L85-L87 HydrophobicContact CD2-CG 4.46Å; L85-L87 HydrophobicContact CG-CD1 4.04Å; L85-L87 HydrophobicContact CG-CG 3.98Å; L87-N90 VanDerWaalsContact C-ND2 3.33Å; L87-N90 PolarHBondContact O-ND2 3.45Å; L87-I92 HydrophobicContact CB-CD1 4.06Å; L87-I92 HydrophobicContact CD1-CD1 4.27Å; L87-N110 CarbonylContact C-O 3.46Å; L87-N110 WeakPolarHBondContact CA-O 3.38Å; L87-N110 PolarHBondContact N-O 3.39Å; L87-L111 HydrophobicContact CB-CD2 3.81Å; L87-L111 HydrophobicContact CD1-CD2 3.83Å; L87-L111 HydrophobicContact CG-CD2 4.47Å; L87-N114 PolarHBondContact O-ND2 3.31Å | ||
| 88 | D | 96.5 | Very high | 92.5 | Very high | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | trans | -67.7 | 157.2 | -177.3 | 63.3 | -69.6 | 0 | 0 | 0 | 112.9 | T67 G68 N90 N110 S112 | T67-D88 VanDerWaalsContact CA-O 3.31Å; T67-D88 WeakPolarHBondContact CA-O 3.4Å; T67-D88 WeakPolarHBondContact CG2-OD2 3.48Å; T67-D88 PolarHBondContact OG1-OD1 3.12Å; G68-D88 PolarHBondContact N-O 3.35Å; D88-N90 VanDerWaalsContact C-N 3.29Å; D88-N90 PolarHBondContact O-N 3.25Å; D88-N90 PolarHBondContact O-ND2 2.89Å; D88-N110 PolarHBondContact N-O 2.91Å; D88-S112 WeakPolarHBondContact CA-O 3.46Å | ||
| 89 | H | 96.6 | Very high | 92.5 | Very high | 98 Ų | 98 | 46.2 Ų | 46.2 | 45% | 0.454 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 56.7 | 38.9 | 180 | -59.8 | 86.1 | 0 | 0 | 0 | 113.9 | T67 G68 S112 H113 | T67-H89 HydrophobicContact CG2-CB 4.21Å; G68-H89 VanDerWaalsContact CA-O 3.26Å; G68-H89 WeakPolarHBondContact CA-O 3.25Å; G68-H89 PolarHBondContact N-O 3.49Å; H89-S112 PolarHBondContact N-O 2.77Å; H89-S112 VanDerWaalsContact N-O 3.13Å; H89-H113 VanDerWaalsContact CA-O 3.26Å; H89-H113 WeakPolarHBondContact CA-O 2.99Å; H89-H113 AromaticContact CE1-CD2 3.66Å; H89-H113 PolarHBondContact N-O 3.06Å; H89-H113 AromaticContact NE2-CD2 3.7Å; H89-H113 AromaticContact NE2-CG 3.72Å |
| 90 | N | 96 | Very high | 92.7 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 6% | 0.059 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -110 | -165 | 174.9 | -78.4 | -62.3 | 0 | 0 | 0 | 110.8 | C66 S69 R70 L71 L87 D88 I92 H113 N114 | C66-N90 PolarHBondContact O-ND2 3.03Å; S69-N90 WeakPolarHBondContact CA-OD1 3.46Å; S69-N90 PolarHBondContact N-OD1 3.38Å; R70-N90 PolarHBondContact N-OD1 2.89Å; L71-N90 HydrophobicContact CB-CB 4.1Å; L71-N90 PolarHBondContact N-OD1 2.89Å; L87-N90 VanDerWaalsContact C-ND2 3.33Å; L87-N90 PolarHBondContact O-ND2 3.45Å; D88-N90 VanDerWaalsContact C-N 3.29Å; D88-N90 PolarHBondContact O-N 3.25Å; D88-N90 PolarHBondContact O-ND2 2.89Å; N90-I92 HydrophobicContact CB-CD1 4.35Å; N90-I92 HydrophobicContact CB-CG1 4.18Å; N90-H113 PolarHBondContact N-O 3.03Å; N90-N114 WeakPolarHBondContact CA-OD1 3.42Å; N90-N114 WeakPolarHBondContact CB-OD1 3.45Å; N90-N114 PolarHBondContact N-OD1 2.85Å; N90-N114 PolarHBondContact O-OD1 3.36Å |
| 91 | Q | 96 | Very high | 92.7 | Very high | 98 Ų | 98 | 50.4 Ų | 50.4 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | trans | -123.1 | 31.9 | -178.7 | -61.9 | 176.8 | -1.9 | 0 | 0 | 110.5 | L71 M93 N114 | L71-Q91 CarbonylContact O-C 3.58Å; L71-Q91 VanDerWaalsContact O-CA 3.26Å; L71-Q91 WeakPolarHBondContact O-CA 3.02Å; L71-Q91 PolarHBondContact O-N 3.49Å; Q91-M93 PolarHBondContact O-N 3.03Å; Q91-N114 PolarHBondContact N-OD1 3.01Å | ||
| 92 | I | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -69.7 | 126.1 | -178 | -59 | 169.6 | 0 | 0 | 0 | 108.3 | L71 K72 I74 L87 N90 A94 L111 N114 A115 V116 | L71-I92 HydrophobicContact CB-CG1 4.43Å; L71-I92 PolarHBondContact O-N 3.32Å; K72-I92 WeakPolarHBondContact O-CA 3.42Å; I74-I92 HydrophobicContact CG1-CD1 4.18Å; I74-I92 HydrophobicContact CG1-CG2 4.34Å; L87-I92 HydrophobicContact CB-CD1 4.06Å; L87-I92 HydrophobicContact CD1-CD1 4.27Å; N90-I92 HydrophobicContact CB-CD1 4.35Å; N90-I92 HydrophobicContact CB-CG1 4.18Å; I92-A94 WeakPolarHBondContact CG2-O 3.41Å; I92-L111 HydrophobicContact CD1-CD2 3.88Å; I92-N114 HydrophobicContact CB-CB 4.37Å; I92-N114 WeakPolarHBondContact CB-OD1 3.43Å; I92-N114 WeakPolarHBondContact CG1-OD1 3.34Å; I92-N114 PolarHBondContact N-OD1 3.27Å; I92-A115 CarbonylContact O-C 3.5Å; I92-A115 WeakPolarHBondContact O-CA 3.33Å; I92-A115 PolarHBondContact O-N 2.62Å; I92-V116 HydrophobicContact CB-CG2 4.43Å; I92-V116 HydrophobicContact CG2-CG2 4.22Å; I92-V116 WeakPolarHBondContact O-CA 3.34Å; I92-V116 WeakPolarHBondContact O-CG2 3.38Å; I92-V116 PolarHBondContact O-N 3.11Å | ||
| 93 | M | 95.3 | Very high | 92.6 | Very high | 110 Ų | 110 | 47.9 Ų | 47.9 | 54% | 0.542 | 25% | 0.247 | S | C | . | . | trans | -101.8 | -25.6 | -174.9 | -61.7 | -174.1 | -55.8 | 0 | 0 | 114.1 | Q91 A115 V116 E117 | Q91-M93 PolarHBondContact O-N 3.03Å; M93-A115 WeakPolarHBondContact CA-O 3.39Å; M93-A115 HydrophobicContact CG-CB 4.46Å; M93-V116 CarbonylContact O-C 3.51Å; M93-V116 WeakPolarHBondContact O-CA 3.35Å; M93-E117 PolarHBondContact O-N 2.92Å | ||
| 94 | A | 94.4 | Very high | 92.5 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 32% | 0.322 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 150 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | I92 T118 | I92-A94 WeakPolarHBondContact CG2-O 3.41Å; A94-T118 WeakPolarHBondContact CA-O 3.21Å; A94-T118 WeakPolarHBondContact CB-OG1 3.38Å |
| 95 | V | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 106.1 | 168.2 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | I74 A99 F100 L111 V116 T118 L119 E120 A123 | I74-V95 HydrophobicContact CD1-CB 4.39Å; I74-V95 HydrophobicContact CD1-CG1 3.8Å; I74-V95 HydrophobicContact CD1-CG2 4.26Å; V95-A99 HydrophobicContact CG1-CB 3.89Å; V95-F100 HydrophobicContact CG1-CE2 3.76Å; V95-F100 HydrophobicContact CG1-CZ 4.22Å; V95-L111 HydrophobicContact CG2-CD1 4.18Å; V95-V116 HydrophobicContact CG2-CG1 4.19Å; V95-V116 HydrophobicContact CG2-CG2 4.49Å; V95-T118 PolarHBondContact N-O 3.49Å; V95-T118 VanDerWaalsContact N-O 3.14Å; V95-L119 HydrophobicContact CB-CD2 3.73Å; V95-L119 HydrophobicContact CG2-CD2 3.61Å; V95-E120 PolarHBondContact O-N 3.25Å; V95-A123 HydrophobicContact CB-CB 4.18Å; V95-A123 HydrophobicContact CG1-CB 3.73Å |
| 96 | P | 92.6 | Very high | 92.2 | Very high | 70 Ų | 70 | 57.8 Ų | 57.8 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | trans | -71.5 | 164 | -178.4 | 29.5 | -33.9 | 0 | 0 | 0 | 111.5 | H98 A99 A123 | P96-H98 PolarHBondContact O-N 2.96Å; P96-A99 HydrophobicContact CG-CB 4.07Å; P96-A99 WeakPolarHBondContact O-CB 3.49Å; P96-A99 PolarHBondContact O-N 2.82Å; P96-A123 WeakPolarHBondContact O-CA 3.03Å | ||
| 97 | D | 90.6 | Very high | 92 | Very high | 78 Ų | 78 | 59.9 Ų | 59.9 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 139.2 | 171.5 | -79.6 | -27.7 | 0 | 0 | 0 | 111.8 | A99 E120 G122 | D97-A99 PolarHBondContact O-N 2.87Å; D97-A99 VanDerWaalsContact O-N 3.11Å; D97-E120 WeakPolarHBondContact OD1-CB 3.26Å; D97-G122 WeakPolarHBondContact OD1-CA 3.23Å; D97-G122 PolarHBondContact OD1-N 2.97Å |
| 98 | H | 89.5 | Confident | 91.9 | Very high | 87 Ų | 87 | 62.6 Ų | 62.6 | 40% | 0.403 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 21.9 | 176.4 | -54.7 | -57.8 | 0 | 0 | 0 | 114.4 | P96 F100 R101 G122 S125 | P96-H98 PolarHBondContact O-N 2.96Å; H98-F100 PolarHBondContact O-N 2.84Å; H98-F100 VanDerWaalsContact O-N 3.08Å; H98-R101 HydrophobicContact CB-CB 3.88Å; H98-R101 WeakPolarHBondContact O-CB 3.18Å; H98-R101 PolarHBondContact O-N 3.3Å; H98-G122 PolarHBondContact N-O 3.34Å; H98-S125 WeakPolarHBondContact ND1-CB 3.48Å |
| 99 | A | 89 | Confident | 91.9 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -32.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I74 V95 P96 D97 | I74-A99 HydrophobicContact CD1-CB 3.89Å; V95-A99 HydrophobicContact CG1-CB 3.89Å; P96-A99 HydrophobicContact CG-CB 4.07Å; P96-A99 WeakPolarHBondContact O-CB 3.49Å; P96-A99 PolarHBondContact O-N 2.82Å; D97-A99 PolarHBondContact O-N 2.87Å; D97-A99 VanDerWaalsContact O-N 3.11Å |
| 100 | F | 91.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 15.1 | -178.7 | -51.2 | -68.3 | 0 | 0 | 0 | 113.2 | I74 L85 V95 H98 G102 L103 L106 L109 L111 A123 F124 V127 | I74-F100 HydrophobicContact CD1-CE1 3.98Å; I74-F100 HydrophobicContact CD1-CE2 4.32Å; I74-F100 HydrophobicContact CD1-CZ 3.53Å; I74-F100 HydrophobicContact CG2-CE1 4.09Å; L85-F100 HydrophobicContact CD2-CD1 4.07Å; L85-F100 HydrophobicContact CD2-CE1 3.89Å; V95-F100 HydrophobicContact CG1-CE2 3.76Å; V95-F100 HydrophobicContact CG1-CZ 4.22Å; H98-F100 PolarHBondContact O-N 2.84Å; H98-F100 VanDerWaalsContact O-N 3.08Å; F100-G102 PolarHBondContact O-N 3.17Å; F100-L103 HydrophobicContact CB-CD1 4.19Å; F100-L103 HydrophobicContact CD1-CD1 4.07Å; F100-L103 WeakPolarHBondContact O-CB 3.43Å; F100-L103 PolarHBondContact O-N 3.44Å; F100-L103 VanDerWaalsContact O-N 3.14Å; F100-L106 HydrophobicContact CB-CD2 4.49Å; F100-L109 HydrophobicContact CD1-CD2 4.33Å; F100-L109 HydrophobicContact CD2-CD2 3.98Å; F100-L109 HydrophobicContact CE1-CD1 3.94Å; F100-L109 HydrophobicContact CE1-CD2 3.88Å; F100-L109 HydrophobicContact CE2-CD2 3.49Å; F100-L109 VanDerWaalsContact CE2-CD2 3.49Å; F100-L109 HydrophobicContact CG-CD2 4.37Å; F100-L109 HydrophobicContact CZ-CD1 4.07Å; F100-L109 HydrophobicContact CZ-CD2 3.44Å; F100-L109 VanDerWaalsContact CZ-CD2 3.44Å; F100-L109 HydrophobicContact CZ-CG 4.39Å; F100-L111 HydrophobicContact CZ-CD1 4.14Å; F100-A123 WeakPolarHBondContact CD2-O 3.37Å; F100-F124 HydrophobicContact CD2-CD1 4.07Å; F100-F124 HydrophobicContact CD2-CE1 4.47Å; F100-F124 HydrophobicContact CE2-CD1 4.02Å; F100-F124 AromaticContact CE2-CE1 3.96Å; F100-F124 HydrophobicContact CE2-CE1 3.96Å; F100-V127 HydrophobicContact CB-CG1 3.89Å; F100-V127 HydrophobicContact CB-CG2 4.27Å |
| 101 | R | 86.4 | Confident | 91.9 | Very high | 183 Ų | 183 | 57.5 Ų | 57.5 | 69% | 0.691 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 123.6 | -178 | -176.4 | 178.1 | -178.7 | -177.3 | 1.6 | 110.1 | H98 | H98-R101 HydrophobicContact CB-CB 3.88Å; H98-R101 WeakPolarHBondContact O-CB 3.18Å; H98-R101 PolarHBondContact O-N 3.3Å |
| 102 | G | 83.3 | Confident | 91.9 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.9 | -15 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F100 R104 | F100-G102 PolarHBondContact O-N 3.17Å; G102-R104 PolarHBondContact O-N 3.37Å |
| 103 | L | 89.8 | Confident | 92 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | trans | -81.4 | 59.8 | 174.2 | -52.9 | -176.4 | 0 | 0 | 0 | 111.2 | L78 P79 L85 F100 L105 L106 V127 | L78-L103 HydrophobicContact CB-CD1 4.38Å; L78-L103 HydrophobicContact CB-CD2 4.04Å; L78-L103 HydrophobicContact CD1-CD1 4.11Å; P79-L103 WeakPolarHBondContact O-CD2 2.93Å; L85-L103 HydrophobicContact CD2-CD1 4.22Å; F100-L103 HydrophobicContact CB-CD1 4.19Å; F100-L103 HydrophobicContact CD1-CD1 4.07Å; F100-L103 WeakPolarHBondContact O-CB 3.43Å; F100-L103 PolarHBondContact O-N 3.44Å; F100-L103 VanDerWaalsContact O-N 3.14Å; L103-L105 PolarHBondContact O-N 3.31Å; L103-L106 HydrophobicContact CB-CB 3.99Å; L103-L106 HydrophobicContact CB-CD2 4.47Å; L103-L106 HydrophobicContact CD1-CD2 4.27Å; L103-L106 VanDerWaalsContact O-CB 3.23Å; L103-L106 WeakPolarHBondContact O-CB 3.39Å; L103-L106 PolarHBondContact O-N 2.01Å; L103-V127 HydrophobicContact CB-CG1 4.29Å; L103-V127 WeakPolarHBondContact O-CG1 3.45Å | ||
| 104 | R | 87.4 | Confident | 92.1 | Very high | 195 Ų | 195 | 52.2 Ų | 52.2 | 74% | 0.736 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -12.9 | -171.8 | -60.2 | -176.4 | -174.5 | -170.1 | 1.5 | 114.2 | G102 T130 | G102-R104 PolarHBondContact O-N 3.37Å; R104-T130 WeakPolarHBondContact O-CG2 3.49Å; R104-T130 PolarHBondContact O-OG1 2.88Å |
| 105 | L | 88.2 | Confident | 92.2 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 1.4 | 178.9 | -62.7 | 178.9 | 0 | 0 | 0 | 112.5 | F59 T82 A83 L103 R107 | F59-L105 HydrophobicContact CD1-CD1 3.99Å; F59-L105 HydrophobicContact CE1-CD1 4.48Å; T82-L105 CarbonylContact O-C 3.41Å; A83-L105 WeakPolarHBondContact CA-O 3.31Å; L103-L105 PolarHBondContact O-N 3.31Å; L105-R107 PolarHBondContact O-N 3.42Å |
| 106 | L | 91.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -65.1 | 125.2 | -176.2 | -168.5 | 69.1 | 0 | 0 | 0 | 110.7 | T82 L85 F100 L103 L109 V127 T130 L131 | T82-L106 HydrophobicContact CG2-CD1 4.05Å; T82-L106 WeakPolarHBondContact O-CA 3.46Å; T82-L106 PolarHBondContact O-N 3.34Å; L85-L106 HydrophobicContact CB-CD1 3.67Å; F100-L106 HydrophobicContact CB-CD2 4.49Å; L103-L106 HydrophobicContact CB-CB 3.99Å; L103-L106 HydrophobicContact CB-CD2 4.47Å; L103-L106 HydrophobicContact CD1-CD2 4.27Å; L103-L106 VanDerWaalsContact O-CB 3.23Å; L103-L106 WeakPolarHBondContact O-CB 3.39Å; L103-L106 PolarHBondContact O-N 2.01Å; L106-L109 HydrophobicContact CD2-CB 4.31Å; L106-V127 HydrophobicContact CB-CG1 4.22Å; L106-V127 HydrophobicContact CD2-CG1 4.17Å; L106-T130 CarbonylContact O-C 3.12Å; L106-T130 WeakPolarHBondContact O-CB 3.1Å; L106-T130 VanDerWaalsContact O-O 3.11Å; L106-T130 PolarHBondContact O-OG1 2.74Å; L106-L131 HydrophobicContact CD2-CD1 4.05Å; L106-L131 HydrophobicContact CG-CD1 4.03Å; L106-L131 WeakPolarHBondContact O-CA 3.35Å; L106-L131 PolarHBondContact O-N 3.32Å | ||
| 107 | R | 91.9 | Very high | 92.4 | Very high | 145 Ų | 145 | 52.9 Ų | 52.9 | 55% | 0.547 | 25% | 0.248 | S | C | . | . | trans | -116.6 | -40.8 | -179.6 | -63.7 | -177.9 | -176.5 | -176 | -0.3 | 112.1 | A83 L105 Q132 V133 | A83-R107 PolarHBondContact O-N 3.3Å; L105-R107 PolarHBondContact O-N 3.42Å; R107-Q132 HydrophobicContact CB-CG 4.3Å; R107-Q132 WeakPolarHBondContact O-CA 3.26Å; R107-Q132 WeakPolarHBondContact O-CB 3.29Å; R107-Q132 PolarHBondContact O-N 3.03Å; R107-V133 PolarHBondContact O-N 3.48Å | ||
| 108 | E | 93.3 | Very high | 92.4 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 26% | 0.262 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.7 | 179.3 | -179.4 | 180 | 148.7 | 0 | 0 | 109.5 | A83 V84 L85 R86 V133 | A83-E108 PolarHBondContact O-N 3.22Å; V84-E108 HydrophobicContact CG1-CB 4.14Å; V84-E108 HydrophobicContact CG1-CG 4.32Å; V84-E108 HydrophobicContact CG2-CB 4.24Å; L85-E108 PolarHBondContact N-O 3.04Å; R86-E108 IonicContact CZ-OE1 3.62Å; R86-E108 IonicContact NE-OE1 3.32Å; R86-E108 PolarHBondContact NE-OE1 3.44Å; R86-E108 IonicContact NH2-OE1 2.98Å; R86-E108 PolarHBondContact NH2-OE1 2.89Å; E108-V133 WeakPolarHBondContact CA-O 3.2Å; E108-V133 HydrophobicContact CG-CB 4.46Å |
| 109 | L | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 117.4 | 172.3 | 175.8 | 55.9 | 0 | 0 | 0 | 108.9 | L85 F100 L106 L111 F124 L131 V133 L134 D135 | L85-L109 HydrophobicContact CB-CD1 4.08Å; L85-L109 HydrophobicContact CD2-CD1 3.88Å; L85-L109 HydrophobicContact CG-CD1 3.95Å; L85-L109 WeakPolarHBondContact O-CA 3.02Å; F100-L109 HydrophobicContact CD1-CD2 4.33Å; F100-L109 HydrophobicContact CD2-CD2 3.98Å; F100-L109 HydrophobicContact CE1-CD1 3.94Å; F100-L109 HydrophobicContact CE1-CD2 3.88Å; F100-L109 HydrophobicContact CE2-CD2 3.49Å; F100-L109 VanDerWaalsContact CE2-CD2 3.49Å; F100-L109 HydrophobicContact CG-CD2 4.37Å; F100-L109 HydrophobicContact CZ-CD1 4.07Å; F100-L109 HydrophobicContact CZ-CD2 3.44Å; F100-L109 VanDerWaalsContact CZ-CD2 3.44Å; F100-L109 HydrophobicContact CZ-CG 4.39Å; L106-L109 HydrophobicContact CD2-CB 4.31Å; L109-L111 HydrophobicContact CD1-CD1 4.33Å; L109-L111 HydrophobicContact CD1-CG 4.13Å; L109-L111 HydrophobicContact CD2-CD1 4.06Å; L109-L111 HydrophobicContact CG-CD1 4.16Å; L109-L111 HydrophobicContact CG-CG 4.29Å; L109-F124 HydrophobicContact CD2-CD1 4.32Å; L109-F124 HydrophobicContact CD2-CE1 4Å; L109-L131 HydrophobicContact CB-CD1 3.85Å; L109-V133 PolarHBondContact N-O 3.46Å; L109-L134 HydrophobicContact CB-CD1 4.12Å; L109-L134 HydrophobicContact CD2-CD1 3.76Å; L109-L134 HydrophobicContact CG-CD1 3.89Å; L109-L134 WeakPolarHBondContact O-CA 3.25Å; L109-D135 PolarHBondContact O-N 3.35Å |
| 110 | N | 96.4 | Very high | 92.7 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 114.2 | 175.3 | -168.9 | -19.4 | 0 | 0 | 0 | 110.3 | L85 R86 L87 D88 S112 D135 | L85-N110 PolarHBondContact O-N 3.33Å; R86-N110 HydrophobicContact CG-CB 4.28Å; L87-N110 CarbonylContact C-O 3.46Å; L87-N110 WeakPolarHBondContact CA-O 3.38Å; L87-N110 PolarHBondContact N-O 3.39Å; D88-N110 PolarHBondContact N-O 2.91Å; N110-S112 VanDerWaalsContact OD1-CB 3.26Å; N110-S112 WeakPolarHBondContact OD1-CB 3.3Å; N110-S112 PolarHBondContact OD1-N 3.33Å; N110-S112 PolarHBondContact OD1-OG 2.97Å; N110-D135 HydrophobicContact CB-CB 4.49Å |
| 111 | L | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -117.9 | 16.9 | 174.6 | -75.7 | 163.9 | 0 | 0 | 0 | 111.1 | L87 I92 V95 F100 L109 N114 D135 L136 N139 | L87-L111 HydrophobicContact CB-CD2 3.81Å; L87-L111 HydrophobicContact CD1-CD2 3.83Å; L87-L111 HydrophobicContact CG-CD2 4.47Å; I92-L111 HydrophobicContact CD1-CD2 3.88Å; V95-L111 HydrophobicContact CG2-CD1 4.18Å; F100-L111 HydrophobicContact CZ-CD1 4.14Å; L109-L111 HydrophobicContact CD1-CD1 4.33Å; L109-L111 HydrophobicContact CD1-CG 4.13Å; L109-L111 HydrophobicContact CD2-CD1 4.06Å; L109-L111 HydrophobicContact CG-CD1 4.16Å; L109-L111 HydrophobicContact CG-CG 4.29Å; L111-N114 WeakPolarHBondContact O-CB 3.45Å; L111-N114 PolarHBondContact O-ND2 3.27Å; L111-D135 CarbonylContact C-O 3.09Å; L111-D135 WeakPolarHBondContact CA-O 3.41Å; L111-D135 WeakPolarHBondContact CB-O 3.18Å; L111-D135 PolarHBondContact N-O 3.25Å; L111-L136 HydrophobicContact CB-CD2 3.96Å; L111-L136 HydrophobicContact CD1-CD2 3.89Å; L111-N139 PolarHBondContact O-ND2 3.33Å | ||
| 112 | S | 96.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | trans | -62.3 | 157.1 | -179.7 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | D88 H89 N110 N114 D135 S137 | D88-S112 WeakPolarHBondContact CA-O 3.46Å; H89-S112 PolarHBondContact N-O 2.77Å; H89-S112 VanDerWaalsContact N-O 3.13Å; N110-S112 VanDerWaalsContact OD1-CB 3.26Å; N110-S112 WeakPolarHBondContact OD1-CB 3.3Å; N110-S112 PolarHBondContact OD1-N 3.33Å; N110-S112 PolarHBondContact OD1-OG 2.97Å; S112-N114 VanDerWaalsContact C-N 3.28Å; S112-N114 PolarHBondContact O-N 2.94Å; S112-N114 PolarHBondContact O-ND2 3.46Å; S112-D135 PolarHBondContact N-O 3.1Å; S112-S137 WeakPolarHBondContact CA-O 3.3Å; S112-S137 WeakPolarHBondContact CB-O 3.26Å; S112-S137 WeakPolarHBondContact CB-OG 3.39Å | ||
| 113 | H | 96.9 | Very high | 92.9 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 36% | 0.356 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 53.8 | 43.8 | 179.3 | -62.4 | -81.2 | 0 | 0 | 0 | 113.1 | H89 N90 S137 H138 | H89-H113 VanDerWaalsContact CA-O 3.26Å; H89-H113 WeakPolarHBondContact CA-O 2.99Å; H89-H113 AromaticContact CE1-CD2 3.66Å; H89-H113 PolarHBondContact N-O 3.06Å; H89-H113 AromaticContact NE2-CD2 3.7Å; H89-H113 AromaticContact NE2-CG 3.72Å; N90-H113 PolarHBondContact N-O 3.03Å; H113-S137 PolarHBondContact N-O 3.45Å; H113-S137 VanDerWaalsContact N-O 3.11Å; H113-H138 VanDerWaalsContact CA-O 3.29Å; H113-H138 WeakPolarHBondContact CA-O 3.14Å; H113-H138 AromaticContact CE1-CD2 3.27Å; H113-H138 PolarHBondContact CE1-CD2 3.49Å; H113-H138 AromaticContact CE1-CG 3.39Å; H113-H138 AromaticContact CE1-ND1 3.99Å; H113-H138 AromaticContact CE1-NE2 3.81Å; H113-H138 PolarHBondContact N-O 3.01Å; H113-H138 AromaticContact ND1-CD2 3.99Å; H113-H138 AromaticContact ND1-CG 3.74Å; H113-H138 AromaticContact NE2-CD2 3.31Å; H113-H138 PolarHBondContact NE2-CD2 3.06Å; H113-H138 VanDerWaalsContact NE2-CD2 3.31Å; H113-H138 AromaticContact NE2-CG 3.85Å; H113-H138 AromaticContact NE2-NE2 3.94Å |
| 114 | N | 97.2 | Very high | 93 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -110.8 | -167.7 | 171 | -85.7 | -79.3 | 0 | 0 | 0 | 110 | L87 N90 Q91 I92 L111 S112 V116 N139 | L87-N114 PolarHBondContact O-ND2 3.31Å; N90-N114 WeakPolarHBondContact CA-OD1 3.42Å; N90-N114 WeakPolarHBondContact CB-OD1 3.45Å; N90-N114 PolarHBondContact N-OD1 2.85Å; N90-N114 PolarHBondContact O-OD1 3.36Å; Q91-N114 PolarHBondContact N-OD1 3.01Å; I92-N114 HydrophobicContact CB-CB 4.37Å; I92-N114 WeakPolarHBondContact CB-OD1 3.43Å; I92-N114 WeakPolarHBondContact CG1-OD1 3.34Å; I92-N114 PolarHBondContact N-OD1 3.27Å; L111-N114 WeakPolarHBondContact O-CB 3.45Å; L111-N114 PolarHBondContact O-ND2 3.27Å; S112-N114 VanDerWaalsContact C-N 3.28Å; S112-N114 PolarHBondContact O-N 2.94Å; S112-N114 PolarHBondContact O-ND2 3.46Å; N114-V116 HydrophobicContact CB-CG2 4.05Å; N114-N139 VanDerWaalsContact CA-OD1 3.25Å; N114-N139 WeakPolarHBondContact CA-OD1 3.42Å; N114-N139 WeakPolarHBondContact CB-OD1 3.44Å; N114-N139 PolarHBondContact N-OD1 3.31Å; N114-N139 PolarHBondContact O-OD1 2.89Å |
| 115 | A | 96.7 | Very high | 93.1 | Very high | 22 Ų | 22 | 40.6 Ų | 40.6 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | trans | -116.7 | 32.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | I92 M93 E117 N139 | I92-A115 CarbonylContact O-C 3.5Å; I92-A115 WeakPolarHBondContact O-CA 3.33Å; I92-A115 PolarHBondContact O-N 2.62Å; M93-A115 WeakPolarHBondContact CA-O 3.39Å; M93-A115 HydrophobicContact CG-CB 4.46Å; A115-E117 PolarHBondContact O-N 3.49Å; A115-N139 PolarHBondContact N-OD1 2.04Å | ||
| 116 | V | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -66.3 | 120.5 | -173.6 | -178.8 | 0 | 0 | 0 | 0 | 109 | I92 M93 V95 N114 L119 N139 R140 I141 | I92-V116 HydrophobicContact CB-CG2 4.43Å; I92-V116 HydrophobicContact CG2-CG2 4.22Å; I92-V116 WeakPolarHBondContact O-CA 3.34Å; I92-V116 WeakPolarHBondContact O-CG2 3.38Å; I92-V116 PolarHBondContact O-N 3.11Å; M93-V116 CarbonylContact O-C 3.51Å; M93-V116 WeakPolarHBondContact O-CA 3.35Å; V95-V116 HydrophobicContact CG2-CG1 4.19Å; V95-V116 HydrophobicContact CG2-CG2 4.49Å; N114-V116 HydrophobicContact CB-CG2 4.05Å; V116-L119 HydrophobicContact CG1-CD2 4.23Å; V116-L119 HydrophobicContact CG1-CG 4.26Å; V116-N139 HydrophobicContact CB-CB 4.26Å; V116-N139 WeakPolarHBondContact CB-OD1 3.49Å; V116-N139 WeakPolarHBondContact CG2-OD1 3.46Å; V116-N139 PolarHBondContact N-OD1 3.32Å; V116-R140 CarbonylContact O-C 3.51Å; V116-R140 VanDerWaalsContact O-CA 3.3Å; V116-R140 WeakPolarHBondContact O-CA 3.43Å; V116-R140 PolarHBondContact O-N 3.48Å; V116-I141 HydrophobicContact CB-CG1 4.34Å; V116-I141 HydrophobicContact CG1-CD1 4.48Å; V116-I141 HydrophobicContact CG1-CG1 4.16Å; V116-I141 VanDerWaalsContact O-CG1 3.3Å; V116-I141 WeakPolarHBondContact O-CG1 3.39Å; V116-I141 PolarHBondContact O-N 3.03Å | ||
| 117 | E | 94.2 | Very high | 93 | Very high | 100 Ų | 100 | 39.6 Ų | 39.6 | 47% | 0.467 | 21% | 0.208 | S | C | . | . | trans | -105.9 | -40.9 | 178 | -70.3 | 178.4 | -173.4 | 0 | 0 | 110.7 | M93 A115 R140 | M93-E117 PolarHBondContact O-N 2.92Å; A115-E117 PolarHBondContact O-N 3.49Å; E117-R140 HydrophobicContact CG-CB 3.78Å | ||
| 118 | T | 90.8 | Very high | 92.9 | Very high | 74 Ų | 74 | 35 Ų | 35 | 45% | 0.454 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.3 | -177.2 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | A94 V95 | A94-T118 WeakPolarHBondContact CA-O 3.21Å; A94-T118 WeakPolarHBondContact CB-OG1 3.38Å; V95-T118 PolarHBondContact N-O 3.49Å; V95-T118 VanDerWaalsContact N-O 3.14Å |
| 119 | L | 93.1 | Very high | 92.6 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.6 | 172.2 | -75.6 | 167.9 | 0 | 0 | 0 | 107.8 | V95 V116 F124 L136 I141 V144 F149 | V95-L119 HydrophobicContact CB-CD2 3.73Å; V95-L119 HydrophobicContact CG2-CD2 3.61Å; V116-L119 HydrophobicContact CG1-CD2 4.23Å; V116-L119 HydrophobicContact CG1-CG 4.26Å; L119-F124 HydrophobicContact CD2-CE2 4.33Å; L119-F124 HydrophobicContact CD2-CZ 4.08Å; L119-L136 HydrophobicContact CD1-CD1 3.97Å; L119-L136 HydrophobicContact CD2-CD2 4.48Å; L119-I141 HydrophobicContact CD1-CD1 3.72Å; L119-I141 HydrophobicContact CD1-CG1 4.36Å; L119-I141 HydrophobicContact CD1-CG2 4.35Å; L119-I141 HydrophobicContact CG-CD1 4.47Å; L119-V144 HydrophobicContact CD1-CG1 3.75Å; L119-F149 HydrophobicContact CD1-CZ 4.38Å |
| 120 | E | 91.6 | Very high | 92.3 | Very high | 98 Ų | 98 | 39 Ų | 39 | 46% | 0.458 | 23% | 0.23 | S | C | . | . | trans | -69.8 | 154.7 | 176.4 | -63.3 | -67.5 | 168 | 0 | 0 | 111.4 | V95 D97 G122 A123 | V95-E120 PolarHBondContact O-N 3.25Å; D97-E120 WeakPolarHBondContact OD1-CB 3.26Å; E120-G122 PolarHBondContact O-N 3.07Å; E120-A123 WeakPolarHBondContact O-CB 3.2Å; E120-A123 PolarHBondContact O-N 3.28Å; E120-A123 VanDerWaalsContact O-N 3.08Å | ||
| 121 | E | 88.4 | Confident | 92 | Very high | 113 Ų | 113 | 38.4 Ų | 38.4 | 53% | 0.528 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -37.3 | -175.3 | -176.8 | -176.8 | 170.3 | 0 | 0 | 112.6 | H145 | E121-H145 IonicContact OE1-CE1 3.85Š|
| 122 | G | 87.4 | Confident | 91.7 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 15.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D97 H98 E120 F124 S125 | D97-G122 WeakPolarHBondContact OD1-CA 3.23Å; D97-G122 PolarHBondContact OD1-N 2.97Å; H98-G122 PolarHBondContact N-O 3.34Å; E120-G122 PolarHBondContact O-N 3.07Å; G122-F124 PolarHBondContact O-N 2.85Å; G122-S125 VanDerWaalsContact O-CB 3.24Å; G122-S125 WeakPolarHBondContact O-CB 3.26Å; G122-S125 PolarHBondContact O-N 2.86Å |
| 123 | A | 90.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -41.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V95 P96 F100 E120 | V95-A123 HydrophobicContact CB-CB 4.18Å; V95-A123 HydrophobicContact CG1-CB 3.73Å; P96-A123 WeakPolarHBondContact O-CA 3.03Å; F100-A123 WeakPolarHBondContact CD2-O 3.37Å; E120-A123 WeakPolarHBondContact O-CB 3.2Å; E120-A123 PolarHBondContact O-N 3.28Å; E120-A123 VanDerWaalsContact O-N 3.08Å |
| 124 | F | 91.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 15.9 | -179.1 | -52.6 | -69.3 | 0 | 0 | 0 | 113.7 | F100 L109 L119 G122 G126 V127 L134 L136 F149 L152 | F100-F124 HydrophobicContact CD2-CD1 4.07Å; F100-F124 HydrophobicContact CD2-CE1 4.47Å; F100-F124 HydrophobicContact CE2-CD1 4.02Å; F100-F124 AromaticContact CE2-CE1 3.96Å; F100-F124 HydrophobicContact CE2-CE1 3.96Å; L109-F124 HydrophobicContact CD2-CD1 4.32Å; L109-F124 HydrophobicContact CD2-CE1 4Å; L119-F124 HydrophobicContact CD2-CE2 4.33Å; L119-F124 HydrophobicContact CD2-CZ 4.08Å; G122-F124 PolarHBondContact O-N 2.85Å; F124-G126 PolarHBondContact O-N 3.4Å; F124-V127 HydrophobicContact CB-CG2 4.21Å; F124-V127 VanDerWaalsContact O-CG2 3.24Å; F124-V127 WeakPolarHBondContact O-CG2 3.45Å; F124-V127 PolarHBondContact O-N 2.76Å; F124-L134 HydrophobicContact CD1-CD2 4.24Å; F124-L134 HydrophobicContact CD2-CD2 4.4Å; F124-L134 HydrophobicContact CE1-CD1 3.73Å; F124-L134 HydrophobicContact CE1-CD2 3.72Å; F124-L134 HydrophobicContact CE1-CG 4.4Å; F124-L134 HydrophobicContact CE2-CD2 3.88Å; F124-L134 HydrophobicContact CZ-CD1 4.09Å; F124-L134 HydrophobicContact CZ-CD2 3.53Å; F124-L134 HydrophobicContact CZ-CG 4.44Å; F124-L136 HydrophobicContact CZ-CD1 4.17Å; F124-F149 HydrophobicContact CE2-CE1 4.15Å; F124-L152 HydrophobicContact CB-CD1 4.24Å; F124-L152 HydrophobicContact CB-CD2 3.83Å; F124-L152 HydrophobicContact CB-CG 4.5Å; F124-L152 HydrophobicContact CD2-CD1 3.87Å; F124-L152 HydrophobicContact CG-CD1 4.05Å; F124-L152 HydrophobicContact CG-CD2 4.49Å |
| 125 | S | 90 | Very high | 91.1 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | 126.7 | -177.8 | -174.8 | 0 | 0 | 0 | 0 | 112 | H98 G122 E128 | H98-S125 WeakPolarHBondContact ND1-CB 3.48Å; G122-S125 VanDerWaalsContact O-CB 3.24Å; G122-S125 WeakPolarHBondContact O-CB 3.26Å; G122-S125 PolarHBondContact O-N 2.86Å; S125-E128 VanDerWaalsContact CA-OE1 3.27Å; S125-E128 WeakPolarHBondContact CA-OE1 3.31Å; S125-E128 PolarHBondContact OG-OE1 2.67Å |
| 126 | G | 86.8 | Confident | 91 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 38% | 0.381 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | -7.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F124 E128 | F124-G126 PolarHBondContact O-N 3.4Å; G126-E128 WeakPolarHBondContact CA-OE2 3.02Å; G126-E128 VanDerWaalsContact N-CD 3.29Å; G126-E128 PolarHBondContact N-OE1 3.49Å; G126-E128 PolarHBondContact N-OE2 2.9Å |
| 127 | V | 91 | Very high | 90.9 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | trans | -121.1 | 5.6 | 175.8 | -61.5 | 0 | 0 | 0 | 0 | 113 | F100 L103 L106 F124 A129 T130 L131 | F100-V127 HydrophobicContact CB-CG1 3.89Å; F100-V127 HydrophobicContact CB-CG2 4.27Å; L103-V127 HydrophobicContact CB-CG1 4.29Å; L103-V127 WeakPolarHBondContact O-CG1 3.45Å; L106-V127 HydrophobicContact CB-CG1 4.22Å; L106-V127 HydrophobicContact CD2-CG1 4.17Å; F124-V127 HydrophobicContact CB-CG2 4.21Å; F124-V127 VanDerWaalsContact O-CG2 3.24Å; F124-V127 WeakPolarHBondContact O-CG2 3.45Å; F124-V127 PolarHBondContact O-N 2.76Å; V127-A129 PolarHBondContact O-N 2.85Å; V127-T130 PolarHBondContact O-N 3.19Å; V127-L131 HydrophobicContact CG2-CD2 4.48Å; V127-L131 VanDerWaalsContact O-CB 3.23Å; V127-L131 WeakPolarHBondContact O-CB 3.42Å; V127-L131 PolarHBondContact O-N 3.44Å | ||
| 128 | E | 88.9 | Confident | 90.9 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -31.4 | -171.2 | -50.5 | 95.3 | 145.2 | 0 | 0 | 113.2 | S125 G126 R151 L152 | S125-E128 VanDerWaalsContact CA-OE1 3.27Å; S125-E128 WeakPolarHBondContact CA-OE1 3.31Å; S125-E128 PolarHBondContact OG-OE1 2.67Å; G126-E128 WeakPolarHBondContact CA-OE2 3.02Å; G126-E128 VanDerWaalsContact N-CD 3.29Å; G126-E128 PolarHBondContact N-OE1 3.49Å; G126-E128 PolarHBondContact N-OE2 2.9Å; E128-R151 HydrophobicContact CB-CB 4.4Å; E128-R151 HydrophobicContact CG-CB 4.1Å; E128-L152 HydrophobicContact CB-CD2 4.07Å; E128-L152 HydrophobicContact CG-CD2 4.08Å |
| 129 | A | 86.9 | Confident | 91.2 | Very high | 91 Ų | 91 | 37.6 Ų | 37.6 | 75% | 0.752 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -23.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | V127 | V127-A129 PolarHBondContact O-N 2.85Š|
| 130 | T | 89.8 | Confident | 91.3 | Very high | 49 Ų | 49 | 44 Ų | 44 | 30% | 0.301 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -25.9 | -172.1 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | R104 L106 V127 Q132 | R104-T130 WeakPolarHBondContact O-CG2 3.49Å; R104-T130 PolarHBondContact O-OG1 2.88Å; L106-T130 CarbonylContact O-C 3.12Å; L106-T130 WeakPolarHBondContact O-CB 3.1Å; L106-T130 VanDerWaalsContact O-O 3.11Å; L106-T130 PolarHBondContact O-OG1 2.74Å; V127-T130 PolarHBondContact O-N 3.19Å; T130-Q132 PolarHBondContact O-N 3.23Å |
| 131 | L | 90.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | trans | -64.9 | 129.9 | 179.1 | -162.8 | 70.2 | 0 | 0 | 0 | 110 | L106 L109 V127 L134 L152 A154 | L106-L131 HydrophobicContact CD2-CD1 4.05Å; L106-L131 HydrophobicContact CG-CD1 4.03Å; L106-L131 WeakPolarHBondContact O-CA 3.35Å; L106-L131 PolarHBondContact O-N 3.32Å; L109-L131 HydrophobicContact CB-CD1 3.85Å; V127-L131 HydrophobicContact CG2-CD2 4.48Å; V127-L131 VanDerWaalsContact O-CB 3.23Å; V127-L131 WeakPolarHBondContact O-CB 3.42Å; V127-L131 PolarHBondContact O-N 3.44Å; L131-L134 HydrophobicContact CD2-CB 3.98Å; L131-L152 HydrophobicContact CD2-CD2 4.49Å; L131-A154 HydrophobicContact CB-CB 4.14Å; L131-A154 HydrophobicContact CD2-CB 4.13Å; L131-A154 HydrophobicContact CG-CB 3.93Å; L131-A154 WeakPolarHBondContact O-CB 3.47Å | ||
| 132 | Q | 90.5 | Very high | 91.7 | Very high | 114 Ų | 114 | 37 Ų | 37 | 53% | 0.533 | 21% | 0.213 | S | C | . | . | trans | -112.2 | -34.2 | -179 | -62.3 | -177.5 | -11.9 | 0 | 0 | 111.5 | R107 T130 A154 R155 | R107-Q132 HydrophobicContact CB-CG 4.3Å; R107-Q132 WeakPolarHBondContact O-CA 3.26Å; R107-Q132 WeakPolarHBondContact O-CB 3.29Å; R107-Q132 PolarHBondContact O-N 3.03Å; T130-Q132 PolarHBondContact O-N 3.23Å; Q132-A154 CarbonylContact O-C 3.01Å; Q132-A154 WeakPolarHBondContact O-CA 3.49Å; Q132-R155 PolarHBondContact O-N 3.35Å | ||
| 133 | V | 90.8 | Very high | 91.8 | Very high | 35 Ų | 35 | 39 Ų | 39 | 21% | 0.212 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 128.6 | 178.9 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | R107 E108 L109 R155 | R107-V133 PolarHBondContact O-N 3.48Å; E108-V133 WeakPolarHBondContact CA-O 3.2Å; E108-V133 HydrophobicContact CG-CB 4.46Å; L109-V133 PolarHBondContact N-O 3.46Å; V133-R155 WeakPolarHBondContact CA-O 3.02Å |
| 134 | L | 93.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 120.6 | 172.5 | 173 | 58.8 | 0 | 0 | 0 | 108.1 | L109 F124 L131 L136 F149 L152 R155 V156 L157 | L109-L134 HydrophobicContact CB-CD1 4.12Å; L109-L134 HydrophobicContact CD2-CD1 3.76Å; L109-L134 HydrophobicContact CG-CD1 3.89Å; L109-L134 WeakPolarHBondContact O-CA 3.25Å; F124-L134 HydrophobicContact CD1-CD2 4.24Å; F124-L134 HydrophobicContact CD2-CD2 4.4Å; F124-L134 HydrophobicContact CE1-CD1 3.73Å; F124-L134 HydrophobicContact CE1-CD2 3.72Å; F124-L134 HydrophobicContact CE1-CG 4.4Å; F124-L134 HydrophobicContact CE2-CD2 3.88Å; F124-L134 HydrophobicContact CZ-CD1 4.09Å; F124-L134 HydrophobicContact CZ-CD2 3.53Å; F124-L134 HydrophobicContact CZ-CG 4.44Å; L131-L134 HydrophobicContact CD2-CB 3.98Å; L134-L136 HydrophobicContact CD1-CD1 4.43Å; L134-L136 HydrophobicContact CD1-CD2 4.47Å; L134-L136 HydrophobicContact CD1-CG 4.08Å; L134-L136 HydrophobicContact CD2-CD1 3.9Å; L134-L136 HydrophobicContact CD2-CG 4.41Å; L134-L136 HydrophobicContact CG-CD1 4.11Å; L134-L136 HydrophobicContact CG-CG 4.09Å; L134-F149 HydrophobicContact CD2-CE1 4.42Å; L134-L152 HydrophobicContact CD2-CD1 3.91Å; L134-R155 PolarHBondContact N-O 3.4Å; L134-V156 HydrophobicContact CB-CG2 4.34Å; L134-V156 HydrophobicContact CD2-CG1 4.09Å; L134-V156 HydrophobicContact CD2-CG2 4.28Å; L134-V156 HydrophobicContact CG-CG1 4.35Å; L134-V156 CarbonylContact O-C 3.06Å; L134-V156 WeakPolarHBondContact O-CA 3.39Å; L134-L157 PolarHBondContact O-N 2.93Å |
| 135 | D | 94.1 | Very high | 91.8 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113 | 175.9 | -165.6 | -14.1 | 0 | 0 | 0 | 110.6 | L109 N110 L111 S112 S137 L157 | L109-D135 PolarHBondContact O-N 3.35Å; N110-D135 HydrophobicContact CB-CB 4.49Å; L111-D135 CarbonylContact C-O 3.09Å; L111-D135 WeakPolarHBondContact CA-O 3.41Å; L111-D135 WeakPolarHBondContact CB-O 3.18Å; L111-D135 PolarHBondContact N-O 3.25Å; S112-D135 PolarHBondContact N-O 3.1Å; D135-S137 VanDerWaalsContact OD1-CB 3.23Å; D135-S137 WeakPolarHBondContact OD1-CB 3.41Å; D135-S137 PolarHBondContact OD1-N 3.34Å; D135-S137 PolarHBondContact OD1-OG 3.25Å; D135-L157 HydrophobicContact CB-CB 4.49Å; D135-L157 HydrophobicContact CB-CD1 4.32Å |
| 136 | L | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -115.8 | 14.6 | 175.6 | -68.8 | 165.9 | 0 | 0 | 0 | 111.2 | L111 L119 F124 L134 N139 I141 F149 L157 V158 N161 | L111-L136 HydrophobicContact CB-CD2 3.96Å; L111-L136 HydrophobicContact CD1-CD2 3.89Å; L119-L136 HydrophobicContact CD1-CD1 3.97Å; L119-L136 HydrophobicContact CD2-CD2 4.48Å; F124-L136 HydrophobicContact CZ-CD1 4.17Å; L134-L136 HydrophobicContact CD1-CD1 4.43Å; L134-L136 HydrophobicContact CD1-CD2 4.47Å; L134-L136 HydrophobicContact CD1-CG 4.08Å; L134-L136 HydrophobicContact CD2-CD1 3.9Å; L134-L136 HydrophobicContact CD2-CG 4.41Å; L134-L136 HydrophobicContact CG-CD1 4.11Å; L134-L136 HydrophobicContact CG-CG 4.09Å; L136-N139 PolarHBondContact O-ND2 3.49Å; L136-I141 HydrophobicContact CB-CD1 4.13Å; L136-I141 HydrophobicContact CD1-CD1 4.48Å; L136-I141 HydrophobicContact CD2-CD1 4.47Å; L136-F149 HydrophobicContact CD1-CE1 4Å; L136-F149 HydrophobicContact CD1-CZ 4.17Å; L136-L157 WeakPolarHBondContact CA-O 3.38Å; L136-L157 PolarHBondContact N-O 3.23Å; L136-V158 HydrophobicContact CB-CG1 4.31Å; L136-V158 HydrophobicContact CD1-CG1 4.4Å; L136-N161 PolarHBondContact O-ND2 3.21Å | ||
| 137 | S | 94.3 | Very high | 91.7 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | trans | -63.6 | 156.3 | -178 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | S112 H113 D135 N139 D159 | S112-S137 WeakPolarHBondContact CA-O 3.3Å; S112-S137 WeakPolarHBondContact CB-O 3.26Å; S112-S137 WeakPolarHBondContact CB-OG 3.39Å; H113-S137 PolarHBondContact N-O 3.45Å; H113-S137 VanDerWaalsContact N-O 3.11Å; D135-S137 VanDerWaalsContact OD1-CB 3.23Å; D135-S137 WeakPolarHBondContact OD1-CB 3.41Å; D135-S137 PolarHBondContact OD1-N 3.34Å; D135-S137 PolarHBondContact OD1-OG 3.25Å; S137-N139 PolarHBondContact O-N 2.86Å; S137-N139 PolarHBondContact O-ND2 3.03Å; S137-D159 CarbonylContact C-O 3.58Å; S137-D159 WeakPolarHBondContact CA-O 3.32Å | ||
| 138 | H | 95.2 | Very high | 91.4 | Very high | 77 Ų | 77 | 46.7 Ų | 46.7 | 36% | 0.356 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 54.2 | 48 | 179 | -59.7 | -72.3 | 0 | 0 | 0 | 113.4 | H113 D159 D160 | H113-H138 VanDerWaalsContact CA-O 3.29Å; H113-H138 WeakPolarHBondContact CA-O 3.14Å; H113-H138 AromaticContact CE1-CD2 3.27Å; H113-H138 PolarHBondContact CE1-CD2 3.49Å; H113-H138 AromaticContact CE1-CG 3.39Å; H113-H138 AromaticContact CE1-ND1 3.99Å; H113-H138 AromaticContact CE1-NE2 3.81Å; H113-H138 PolarHBondContact N-O 3.01Å; H113-H138 AromaticContact ND1-CD2 3.99Å; H113-H138 AromaticContact ND1-CG 3.74Å; H113-H138 AromaticContact NE2-CD2 3.31Å; H113-H138 PolarHBondContact NE2-CD2 3.06Å; H113-H138 VanDerWaalsContact NE2-CD2 3.31Å; H113-H138 AromaticContact NE2-CG 3.85Å; H113-H138 AromaticContact NE2-NE2 3.94Å; H138-D159 PolarHBondContact N-O 3.37Å; H138-D160 WeakPolarHBondContact CA-O 3.42Å; H138-D160 VanDerWaalsContact CE1-CG 3.48Å; H138-D160 IonicContact CE1-OD2 3.03Å; H138-D160 PolarHBondContact CE1-OD2 2.88Å; H138-D160 PolarHBondContact N-O 2.89Å; H138-D160 VanDerWaalsContact ND1-CB 3.33Å; H138-D160 WeakPolarHBondContact ND1-CB 3.49Å; H138-D160 IonicContact ND1-OD2 3.68Å; H138-D160 IonicContact NE2-OD2 3.55Å |
| 139 | N | 96.5 | Very high | 91.3 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.053 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -115.9 | -164 | 174.4 | -86.9 | -73.8 | 0 | 0 | 0 | 110.5 | L111 N114 A115 V116 L136 S137 I141 N161 | L111-N139 PolarHBondContact O-ND2 3.33Å; N114-N139 VanDerWaalsContact CA-OD1 3.25Å; N114-N139 WeakPolarHBondContact CA-OD1 3.42Å; N114-N139 WeakPolarHBondContact CB-OD1 3.44Å; N114-N139 PolarHBondContact N-OD1 3.31Å; N114-N139 PolarHBondContact O-OD1 2.89Å; A115-N139 PolarHBondContact N-OD1 2.04Å; V116-N139 HydrophobicContact CB-CB 4.26Å; V116-N139 WeakPolarHBondContact CB-OD1 3.49Å; V116-N139 WeakPolarHBondContact CG2-OD1 3.46Å; V116-N139 PolarHBondContact N-OD1 3.32Å; L136-N139 PolarHBondContact O-ND2 3.49Å; S137-N139 PolarHBondContact O-N 2.86Å; S137-N139 PolarHBondContact O-ND2 3.03Å; N139-I141 HydrophobicContact CB-CD1 4.18Å; N139-I141 HydrophobicContact CB-CG1 4.13Å; N139-N161 WeakPolarHBondContact CA-OD1 3.42Å; N139-N161 WeakPolarHBondContact CB-OD1 3.33Å; N139-N161 PolarHBondContact N-OD1 2.98Å; N139-N161 PolarHBondContact O-OD1 3.33Å |
| 140 | R | 96 | Very high | 91.1 | Very high | 149 Ų | 149 | 42.2 Ų | 42.2 | 56% | 0.562 | 22% | 0.22 | S | C | * | . | trans | -120.3 | 26.6 | -179.1 | -62.9 | -175.5 | 178.7 | -152.4 | -1.8 | 112.3 | V116 E117 T142 N161 | V116-R140 CarbonylContact O-C 3.51Å; V116-R140 VanDerWaalsContact O-CA 3.3Å; V116-R140 WeakPolarHBondContact O-CA 3.43Å; V116-R140 PolarHBondContact O-N 3.48Å; E117-R140 HydrophobicContact CG-CB 3.78Å; R140-T142 PolarHBondContact O-N 3.11Å; R140-N161 PolarHBondContact N-OD1 3.41Å | ||
| 141 | I | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -72 | 125.2 | -175.5 | -54.4 | 162.4 | 0 | 0 | 0 | 108.6 | V116 L119 L136 N139 V144 N161 P162 W163 | V116-I141 HydrophobicContact CB-CG1 4.34Å; V116-I141 HydrophobicContact CG1-CD1 4.48Å; V116-I141 HydrophobicContact CG1-CG1 4.16Å; V116-I141 VanDerWaalsContact O-CG1 3.3Å; V116-I141 WeakPolarHBondContact O-CG1 3.39Å; V116-I141 PolarHBondContact O-N 3.03Å; L119-I141 HydrophobicContact CD1-CD1 3.72Å; L119-I141 HydrophobicContact CD1-CG1 4.36Å; L119-I141 HydrophobicContact CD1-CG2 4.35Å; L119-I141 HydrophobicContact CG-CD1 4.47Å; L136-I141 HydrophobicContact CB-CD1 4.13Å; L136-I141 HydrophobicContact CD1-CD1 4.48Å; L136-I141 HydrophobicContact CD2-CD1 4.47Å; N139-I141 HydrophobicContact CB-CD1 4.18Å; N139-I141 HydrophobicContact CB-CG1 4.13Å; I141-V144 HydrophobicContact CG2-CG1 3.87Å; I141-N161 HydrophobicContact CB-CB 4.42Å; I141-N161 WeakPolarHBondContact CB-OD1 3.39Å; I141-N161 WeakPolarHBondContact CG1-OD1 3.44Å; I141-N161 PolarHBondContact N-OD1 2.93Å; I141-P162 CarbonylContact O-C 3.49Å; I141-P162 WeakPolarHBondContact O-CD 3.4Å; I141-W163 HydrophobicContact CB-CH2 3.89Å; I141-W163 HydrophobicContact CB-CZ2 4.32Å; I141-W163 HydrophobicContact CB-CZ3 4.19Å; I141-W163 HydrophobicContact CD1-CH2 4.37Å; I141-W163 HydrophobicContact CG2-CE3 4.36Å; I141-W163 HydrophobicContact CG2-CH2 3.47Å; I141-W163 VanDerWaalsContact CG2-CH2 3.47Å; I141-W163 HydrophobicContact CG2-CZ2 4.37Å; I141-W163 HydrophobicContact CG2-CZ3 3.48Å; I141-W163 VanDerWaalsContact CG2-CZ3 3.48Å | ||
| 142 | T | 92.5 | Very high | 90.5 | Very high | 66 Ų | 66 | 48.7 Ų | 48.7 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | trans | -97.5 | -45.4 | 176.9 | 52.9 | 0 | 0 | 0 | 0 | 111.4 | R140 P162 H164 | R140-T142 PolarHBondContact O-N 3.11Å; T142-P162 HydrophobicContact CG2-CG 4.26Å; T142-H164 WeakPolarHBondContact O-CB 3.35Å; T142-H164 PolarHBondContact O-N 2.96Å | ||
| 143 | S | 89.9 | Confident | 90.2 | Very high | 57 Ų | 57 | 51.3 Ų | 51.3 | 40% | 0.399 | 25% | 0.249 | S | C | . | . | trans | -143.2 | 152.4 | -177.3 | 58 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 144 | V | 91.3 | Very high | 90 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | trans | -128.9 | 152.2 | 175.7 | -74.5 | 0 | 0 | 0 | 0 | 110.2 | L119 I141 A148 F149 W163 L169 A172 | L119-V144 HydrophobicContact CD1-CG1 3.75Å; I141-V144 HydrophobicContact CG2-CG1 3.87Å; V144-A148 HydrophobicContact CB-CB 4.41Å; V144-F149 HydrophobicContact CB-CE2 4.23Å; V144-F149 HydrophobicContact CG1-CE2 4.06Å; V144-F149 HydrophobicContact CG1-CZ 4.01Å; V144-F149 HydrophobicContact CG2-CE2 3.88Å; V144-W163 HydrophobicContact CG1-CH2 4.03Å; V144-W163 HydrophobicContact CG1-CZ3 3.88Å; V144-W163 HydrophobicContact CG2-CZ3 4.13Å; V144-L169 HydrophobicContact CG2-CD1 3.8Å; V144-A172 HydrophobicContact CG2-CB 3.57Å | ||
| 145 | H | 90.8 | Very high | 89.8 | Confident | 72 Ų | 72 | 55.2 Ų | 55.2 | 33% | 0.333 | 26% | 0.26 | S | S | . | . | trans | -64.2 | 143.6 | 172.1 | -166.7 | -101.4 | 0 | 0 | 0 | 110.5 | E121 D147 A148 | E121-H145 IonicContact OE1-CE1 3.85Å; H145-D147 IonicContact CE1-OD2 3.45Å; H145-D147 PolarHBondContact CE1-OD2 3.28Å; H145-D147 PolarHBondContact ND1-N 3.13Å; H145-D147 IonicContact ND1-OD2 3.86Å; H145-D147 PolarHBondContact O-N 3.37Å; H145-A148 HydrophobicContact CB-CB 4.34Å; H145-A148 WeakPolarHBondContact O-CB 3.49Å; H145-A148 PolarHBondContact O-N 3.24Å | ||
| 146 | K | 87.3 | Confident | 89.6 | Confident | 91 Ų | 91 | 54 Ų | 54 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -29.3 | 180 | 63.2 | 179.5 | -178.2 | -178.1 | 0 | 113.8 | Q171 A172 | K146-Q171 HydrophobicContact CB-CB 3.82Å; K146-A172 WeakPolarHBondContact O-CA 3.12Å |
| 147 | D | 86.6 | Confident | 89.4 | Confident | 62 Ų | 62 | 55.2 Ų | 55.2 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -2.3 | -176.9 | -63.2 | -53.1 | 0 | 0 | 0 | 113.4 | H145 F149 A150 | H145-D147 IonicContact CE1-OD2 3.45Å; H145-D147 PolarHBondContact CE1-OD2 3.28Å; H145-D147 PolarHBondContact ND1-N 3.13Å; H145-D147 IonicContact ND1-OD2 3.86Å; H145-D147 PolarHBondContact O-N 3.37Å; D147-F149 PolarHBondContact O-N 3.3Å; D147-A150 PolarHBondContact O-N 3Å |
| 148 | A | 85.7 | Confident | 89.2 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -36.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V144 H145 | V144-A148 HydrophobicContact CB-CB 4.41Å; H145-A148 HydrophobicContact CB-CB 4.34Å; H145-A148 WeakPolarHBondContact O-CB 3.49Å; H145-A148 PolarHBondContact O-N 3.24Å |
| 149 | F | 86.3 | Confident | 89 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -11 | 179.3 | -51.4 | -51.2 | 0 | 0 | 0 | 113.7 | L119 F124 L134 L136 V144 D147 R151 L152 V156 V158 A172 M176 | L119-F149 HydrophobicContact CD1-CZ 4.38Å; F124-F149 HydrophobicContact CE2-CE1 4.15Å; L134-F149 HydrophobicContact CD2-CE1 4.42Å; L136-F149 HydrophobicContact CD1-CE1 4Å; L136-F149 HydrophobicContact CD1-CZ 4.17Å; V144-F149 HydrophobicContact CB-CE2 4.23Å; V144-F149 HydrophobicContact CG1-CE2 4.06Å; V144-F149 HydrophobicContact CG1-CZ 4.01Å; V144-F149 HydrophobicContact CG2-CE2 3.88Å; D147-F149 PolarHBondContact O-N 3.3Å; F149-R151 PolarHBondContact O-N 3.39Å; F149-R151 VanDerWaalsContact O-N 3.15Å; F149-L152 HydrophobicContact CD1-CD1 4.05Å; F149-L152 PolarHBondContact O-N 3.45Å; F149-V156 HydrophobicContact CD1-CG1 4.21Å; F149-V156 HydrophobicContact CD1-CG2 4.49Å; F149-V156 HydrophobicContact CE1-CG1 4.09Å; F149-V156 HydrophobicContact CZ-CG1 4.44Å; F149-V158 HydrophobicContact CE2-CG1 4.46Å; F149-V158 HydrophobicContact CZ-CG1 4.18Å; F149-A172 HydrophobicContact CD2-CB 4.39Å; F149-M176 HydrophobicContact CB-CG 3.7Å; F149-M176 HydrophobicContact CB-SD 3.81Å; F149-M176 HydrophobicContact CD2-CG 4.46Å; F149-M176 HydrophobicContact CD2-SD 3.77Å; F149-M176 HydrophobicContact CG-CG 4.4Å; F149-M176 HydrophobicContact CG-SD 3.88Å |
| 150 | A | 82.1 | Confident | 88.7 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 37% | 0.372 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D147 | D147-A150 PolarHBondContact O-N 3Š|
| 151 | R | 83.4 | Confident | 88.6 | Confident | 175 Ų | 175 | 50 Ų | 50 | 66% | 0.66 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -14.2 | 178.8 | -61.2 | -175 | -177.7 | -174.4 | 4.5 | 113.4 | E128 F149 | E128-R151 HydrophobicContact CB-CB 4.4Å; E128-R151 HydrophobicContact CG-CB 4.1Å; F149-R151 PolarHBondContact O-N 3.39Å; F149-R151 VanDerWaalsContact O-N 3.15Å |
| 152 | L | 85.1 | Confident | 88.5 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | trans | -82.6 | 129.1 | -176.5 | -61.8 | -178.3 | 0 | 0 | 0 | 110.5 | F124 E128 L131 L134 F149 A154 V156 | F124-L152 HydrophobicContact CB-CD1 4.24Å; F124-L152 HydrophobicContact CB-CD2 3.83Å; F124-L152 HydrophobicContact CB-CG 4.5Å; F124-L152 HydrophobicContact CD2-CD1 3.87Å; F124-L152 HydrophobicContact CG-CD1 4.05Å; F124-L152 HydrophobicContact CG-CD2 4.49Å; E128-L152 HydrophobicContact CB-CD2 4.07Å; E128-L152 HydrophobicContact CG-CD2 4.08Å; L131-L152 HydrophobicContact CD2-CD2 4.49Å; L134-L152 HydrophobicContact CD2-CD1 3.91Å; F149-L152 HydrophobicContact CD1-CD1 4.05Å; F149-L152 PolarHBondContact O-N 3.45Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-V156 HydrophobicContact CD1-CG2 4.4Å | ||
| 153 | K | 85 | Confident | 88.5 | Confident | 168 Ų | 168 | 49 Ų | 49 | 73% | 0.73 | 24% | 0.24 | S | C | * | . | trans | -91.3 | -1.2 | 169.1 | -62.7 | -178.5 | -178.7 | 178.6 | 0 | 112.8 | ||||
| 154 | A | 86.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -70.8 | 155.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | L131 Q132 L152 V156 N179 | L131-A154 HydrophobicContact CB-CB 4.14Å; L131-A154 HydrophobicContact CD2-CB 4.13Å; L131-A154 HydrophobicContact CG-CB 3.93Å; L131-A154 WeakPolarHBondContact O-CB 3.47Å; Q132-A154 CarbonylContact O-C 3.01Å; Q132-A154 WeakPolarHBondContact O-CA 3.49Å; L152-A154 VanDerWaalsContact C-N 3.32Å; A154-V156 PolarHBondContact O-N 2.95Å; A154-N179 PolarHBondContact O-ND2 3.2Å |
| 155 | R | 88.4 | Confident | 88.2 | Confident | 116 Ų | 116 | 48.6 Ų | 48.6 | 44% | 0.438 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 109.4 | 161.5 | -170.3 | 169.5 | 65.1 | 105.7 | 6.9 | 109.6 | Q132 V133 L134 N179 | Q132-R155 PolarHBondContact O-N 3.35Å; V133-R155 WeakPolarHBondContact CA-O 3.02Å; L134-R155 PolarHBondContact N-O 3.4Å; R155-N179 WeakPolarHBondContact CA-ND2 3.45Å |
| 156 | V | 89.9 | Confident | 88 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124 | -178.5 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | L134 F149 L152 A154 V158 M176 A182 | L134-V156 HydrophobicContact CB-CG2 4.34Å; L134-V156 HydrophobicContact CD2-CG1 4.09Å; L134-V156 HydrophobicContact CD2-CG2 4.28Å; L134-V156 HydrophobicContact CG-CG1 4.35Å; L134-V156 CarbonylContact O-C 3.06Å; L134-V156 WeakPolarHBondContact O-CA 3.39Å; F149-V156 HydrophobicContact CD1-CG1 4.21Å; F149-V156 HydrophobicContact CD1-CG2 4.49Å; F149-V156 HydrophobicContact CE1-CG1 4.09Å; F149-V156 HydrophobicContact CZ-CG1 4.44Å; L152-V156 HydrophobicContact CD1-CG2 4.4Å; A154-V156 PolarHBondContact O-N 2.95Å; V156-V158 HydrophobicContact CG1-CG1 3.83Å; V156-M176 HydrophobicContact CB-SD 3.85Å; V156-M176 HydrophobicContact CG1-SD 4.15Å; V156-M176 HydrophobicContact CG2-SD 4.17Å; V156-A182 WeakPolarHBondContact O-CB 3.48Å |
| 157 | L | 90.4 | Very high | 87.9 | Confident | 25 Ų | 25 | 43.6 Ų | 43.6 | 13% | 0.131 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.3 | 173.6 | -57.5 | 171.1 | 0 | 0 | 0 | 108.2 | L134 D135 L136 | L134-L157 PolarHBondContact O-N 2.93Å; D135-L157 HydrophobicContact CB-CB 4.49Å; D135-L157 HydrophobicContact CB-CD1 4.32Å; L136-L157 WeakPolarHBondContact CA-O 3.38Å; L136-L157 PolarHBondContact N-O 3.23Å |
| 158 | V | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -132.7 | 17.1 | -170.9 | -84.5 | 0 | 0 | 0 | 0 | 111.8 | L136 F149 V156 N161 W163 L173 M176 V186 | L136-V158 HydrophobicContact CB-CG1 4.31Å; L136-V158 HydrophobicContact CD1-CG1 4.4Å; F149-V158 HydrophobicContact CE2-CG1 4.46Å; F149-V158 HydrophobicContact CZ-CG1 4.18Å; V156-V158 HydrophobicContact CG1-CG1 3.83Å; V158-N161 PolarHBondContact O-ND2 2.97Å; V158-W163 HydrophobicContact CB-CH2 4.45Å; V158-W163 HydrophobicContact CB-CZ2 3.63Å; V158-W163 HydrophobicContact CG1-CH2 4.26Å; V158-W163 HydrophobicContact CG1-CZ2 3.88Å; V158-W163 PolarHBondContact O-NE1 3.05Å; V158-L173 HydrophobicContact CG2-CD2 4.48Å; V158-M176 HydrophobicContact CG2-CE 4.5Å; V158-V186 HydrophobicContact CG2-CG2 3.95Å | ||
| 159 | D | 89.2 | Confident | 88 | Confident | 20 Ų | 20 | 43 Ų | 43 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | trans | -60.8 | 156.6 | -178.6 | -46.4 | -103.4 | 0 | 0 | 0 | 111.6 | S137 H138 N161 R185 | S137-D159 CarbonylContact C-O 3.58Å; S137-D159 WeakPolarHBondContact CA-O 3.32Å; H138-D159 PolarHBondContact N-O 3.37Å; D159-N161 PolarHBondContact O-N 2.66Å; D159-N161 PolarHBondContact O-ND2 2.91Å; D159-R185 WeakPolarHBondContact OD1-CB 3.49Å; D159-R185 WeakPolarHBondContact OD1-CD 3.23Å | ||
| 160 | D | 91.4 | Very high | 87.9 | Confident | 110 Ų | 110 | 44.9 Ų | 44.9 | 59% | 0.588 | 22% | 0.22 | S | C | * | . | S | Bend | trans | 52.9 | 47.8 | 171.9 | -66.6 | -57.8 | 0 | 0 | 0 | 115.1 | H138 | H138-D160 WeakPolarHBondContact CA-O 3.42Å; H138-D160 VanDerWaalsContact CE1-CG 3.48Å; H138-D160 IonicContact CE1-OD2 3.03Å; H138-D160 PolarHBondContact CE1-OD2 2.88Å; H138-D160 PolarHBondContact N-O 2.89Å; H138-D160 VanDerWaalsContact ND1-CB 3.33Å; H138-D160 WeakPolarHBondContact ND1-CB 3.49Å; H138-D160 IonicContact ND1-OD2 3.68Å; H138-D160 IonicContact NE2-OD2 3.55Å |
| 161 | N | 93.3 | Very high | 88 | Confident | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.059 | 22% | 0.222 | C | C | . | . | trans | -121.2 | 150.4 | 170.9 | -83.7 | -89.4 | 0 | 0 | 0 | 109.9 | L136 N139 R140 I141 V158 D159 W163 | L136-N161 PolarHBondContact O-ND2 3.21Å; N139-N161 WeakPolarHBondContact CA-OD1 3.42Å; N139-N161 WeakPolarHBondContact CB-OD1 3.33Å; N139-N161 PolarHBondContact N-OD1 2.98Å; N139-N161 PolarHBondContact O-OD1 3.33Å; R140-N161 PolarHBondContact N-OD1 3.41Å; I141-N161 HydrophobicContact CB-CB 4.42Å; I141-N161 WeakPolarHBondContact CB-OD1 3.39Å; I141-N161 WeakPolarHBondContact CG1-OD1 3.44Å; I141-N161 PolarHBondContact N-OD1 2.93Å; V158-N161 PolarHBondContact O-ND2 2.97Å; D159-N161 PolarHBondContact O-N 2.66Å; D159-N161 PolarHBondContact O-ND2 2.91Å; N161-W163 HydrophobicContact CB-CD2 4.21Å; N161-W163 HydrophobicContact CB-CG 4.34Å; N161-W163 HydrophobicContact CB-CZ2 3.81Å; N161-W163 VanDerWaalsContact CB-NE1 3.34Å; N161-W163 PolarHBondContact O-N 3.36Å | ||
| 162 | P | 93.4 | Very high | 88.2 | Confident | 44 Ų | 44 | 38.7 Ų | 38.7 | 29% | 0.286 | 19% | 0.191 | S | C | . | . | trans | -76.4 | 59.9 | 179.9 | 34.5 | -37.6 | 0 | 0 | 0 | 112.1 | I141 T142 H164 R189 | I141-P162 CarbonylContact O-C 3.49Å; I141-P162 WeakPolarHBondContact O-CD 3.4Å; T142-P162 HydrophobicContact CG2-CG 4.26Å; P162-H164 PolarHBondContact O-N 2.88Å; P162-R189 HydrophobicContact CB-CB 4.24Å; P162-R189 HydrophobicContact CB-CG 4.25Å | ||
| 163 | W | 91.1 | Very high | 88 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 130.6 | -174 | -66.8 | 107.3 | 0 | 0 | 0 | 112.8 | I141 V144 V158 N161 L169 V186 R189 S190 | I141-W163 HydrophobicContact CB-CH2 3.89Å; I141-W163 HydrophobicContact CB-CZ2 4.32Å; I141-W163 HydrophobicContact CB-CZ3 4.19Å; I141-W163 HydrophobicContact CD1-CH2 4.37Å; I141-W163 HydrophobicContact CG2-CE3 4.36Å; I141-W163 HydrophobicContact CG2-CH2 3.47Å; I141-W163 VanDerWaalsContact CG2-CH2 3.47Å; I141-W163 HydrophobicContact CG2-CZ2 4.37Å; I141-W163 HydrophobicContact CG2-CZ3 3.48Å; I141-W163 VanDerWaalsContact CG2-CZ3 3.48Å; V144-W163 HydrophobicContact CG1-CH2 4.03Å; V144-W163 HydrophobicContact CG1-CZ3 3.88Å; V144-W163 HydrophobicContact CG2-CZ3 4.13Å; V158-W163 HydrophobicContact CB-CH2 4.45Å; V158-W163 HydrophobicContact CB-CZ2 3.63Å; V158-W163 HydrophobicContact CG1-CH2 4.26Å; V158-W163 HydrophobicContact CG1-CZ2 3.88Å; V158-W163 PolarHBondContact O-NE1 3.05Å; N161-W163 HydrophobicContact CB-CD2 4.21Å; N161-W163 HydrophobicContact CB-CG 4.34Å; N161-W163 HydrophobicContact CB-CZ2 3.81Å; N161-W163 VanDerWaalsContact CB-NE1 3.34Å; N161-W163 PolarHBondContact O-N 3.36Å; W163-L169 HydrophobicContact CB-CD2 4.09Å; W163-L169 HydrophobicContact CD2-CD1 4.32Å; W163-L169 HydrophobicContact CD2-CD2 4.45Å; W163-L169 HydrophobicContact CE3-CD1 3.57Å; W163-L169 HydrophobicContact CE3-CD2 4.17Å; W163-L169 HydrophobicContact CG-CD2 4.45Å; W163-L169 HydrophobicContact CZ3-CD1 3.77Å; W163-V186 HydrophobicContact CB-CG1 4.19Å; W163-V186 HydrophobicContact CD2-CG1 4.44Å; W163-V186 HydrophobicContact CG-CG1 3.8Å; W163-R189 PolarHBondContact O-N 3.45Å; W163-S190 PolarHBondContact O-N 3.33Å |
| 164 | H | 89.7 | Confident | 87.7 | Confident | 53 Ų | 53 | 33 Ų | 33 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 108 | 164.3 | -174 | 67.4 | 0 | 0 | 0 | 108.3 | T142 P162 D166 S190 | T142-H164 WeakPolarHBondContact O-CB 3.35Å; T142-H164 PolarHBondContact O-N 2.96Å; P162-H164 PolarHBondContact O-N 2.88Å; H164-D166 PolarHBondContact O-N 2.79Å; H164-S190 CarbonylContact C-O 3.56Å; H164-S190 WeakPolarHBondContact CA-O 3.34Å; H164-S190 PolarHBondContact ND1-OG 3.42Å |
| 165 | C | 87.2 | Confident | 86.9 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 104.6 | -176.3 | -70.5 | 0 | 0 | 0 | 0 | 111.1 | L169 C188 S190 S191 | C165-L169 HydrophobicContact CB-CD2 4.43Å; C165-C188 HydrophobicContact CB-CB 3.72Å; C165-C188 WeakPolarHBondContact CB-SG 3.09Å; C165-C188 WeakPolarHBondContact SG-CA 3.24Å; C165-C188 WeakPolarHBondContact SG-CB 3.24Å; C165-C188 CovalentContact SG-SG 2.01Å; C165-C188 PolarHBondContact SG-SG 3.19Å; C165-S190 PolarHBondContact N-O 3.02Å; C165-S191 WeakPolarHBondContact O-CA 3.02Å; C165-S191 WeakPolarHBondContact O-CB 3.38Å; C165-S191 PolarHBondContact O-OG 2.6Å |
| 166 | D | 85.6 | Confident | 86.1 | Confident | 25 Ų | 25 | 29.4 Ų | 29.4 | 13% | 0.134 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -132.6 | -172.6 | 178.1 | 71.7 | -18.2 | 0 | 0 | 0 | 110.7 | H164 T168 L169 Q170 | H164-D166 PolarHBondContact O-N 2.79Å; D166-T168 VanDerWaalsContact C-N 3.31Å; D166-T168 PolarHBondContact O-N 2.82Å; D166-T168 PolarHBondContact OD1-N 2.85Å; D166-T168 PolarHBondContact OD1-OG1 2.99Å; D166-T168 WeakPolarHBondContact OD2-CB 3.26Å; D166-T168 WeakPolarHBondContact OD2-CG2 3.41Å; D166-T168 PolarHBondContact OD2-N 2.76Å; D166-T168 PolarHBondContact OD2-OG1 2.8Å; D166-L169 WeakPolarHBondContact OD1-CB 3.49Å; D166-L169 PolarHBondContact OD1-N 3.04Å; D166-Q170 PolarHBondContact O-N 3.33Å |
| 167 | C | 85 | Confident | 84.4 | Confident | 33 Ų | 33 | 33.2 Ų | 33.2 | 22% | 0.223 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -30.9 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 112.9 | Q170 Q171 C209 | C167-Q170 PolarHBondContact O-N 3.24Å; C167-Q171 WeakPolarHBondContact O-CG 3.22Å; C167-Q171 PolarHBondContact O-N 3.05Å; C167-Q171 PolarHBondContact SG-NE2 3.43Å; C167-C209 VanDerWaalsContact CA-SG 3.5Å; C167-C209 HydrophobicContact CB-CB 3.96Å; C167-C209 WeakPolarHBondContact CB-SG 3.47Å; C167-C209 PolarHBondContact O-SG 3.01Å; C167-C209 WeakPolarHBondContact SG-CA 3.17Å; C167-C209 WeakPolarHBondContact SG-CB 3.34Å; C167-C209 CovalentContact SG-SG 2.04Å; C167-C209 PolarHBondContact SG-SG 2.76Å |
| 168 | T | 87.4 | Confident | 82.6 | Confident | 56 Ų | 56 | 40 Ų | 40 | 34% | 0.344 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.7 | -42.6 | -178.4 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | D166 Q171 A172 | D166-T168 VanDerWaalsContact C-N 3.31Å; D166-T168 PolarHBondContact O-N 2.82Å; D166-T168 PolarHBondContact OD1-N 2.85Å; D166-T168 PolarHBondContact OD1-OG1 2.99Å; D166-T168 WeakPolarHBondContact OD2-CB 3.26Å; D166-T168 WeakPolarHBondContact OD2-CG2 3.41Å; D166-T168 PolarHBondContact OD2-N 2.76Å; D166-T168 PolarHBondContact OD2-OG1 2.8Å; T168-Q171 PolarHBondContact O-N 3.15Å; T168-A172 PolarHBondContact O-N 2.81Å |
| 169 | L | 86.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 173 | -173.6 | 65.4 | 0 | 0 | 0 | 111.2 | V144 W163 C165 D166 Q171 A172 L173 V186 F201 | V144-L169 HydrophobicContact CG2-CD1 3.8Å; W163-L169 HydrophobicContact CB-CD2 4.09Å; W163-L169 HydrophobicContact CD2-CD1 4.32Å; W163-L169 HydrophobicContact CD2-CD2 4.45Å; W163-L169 HydrophobicContact CE3-CD1 3.57Å; W163-L169 HydrophobicContact CE3-CD2 4.17Å; W163-L169 HydrophobicContact CG-CD2 4.45Å; W163-L169 HydrophobicContact CZ3-CD1 3.77Å; C165-L169 HydrophobicContact CB-CD2 4.43Å; D166-L169 WeakPolarHBondContact OD1-CB 3.49Å; D166-L169 PolarHBondContact OD1-N 3.04Å; L169-Q171 VanDerWaalsContact C-N 3.28Å; L169-Q171 PolarHBondContact O-N 3.43Å; L169-A172 PolarHBondContact O-N 3.32Å; L169-L173 HydrophobicContact CD1-CD1 4.1Å; L169-L173 HydrophobicContact CD1-CD2 4.37Å; L169-L173 HydrophobicContact CD1-CG 4.01Å; L169-L173 HydrophobicContact CD2-CD1 4.39Å; L169-L173 HydrophobicContact CG-CD1 3.87Å; L169-L173 HydrophobicContact CG-CG 4.16Å; L169-L173 WeakPolarHBondContact O-CB 3.1Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.38Å; L169-L173 PolarHBondContact O-N 3.35Å; L169-V186 HydrophobicContact CD2-CG1 4.39Å; L169-F201 HydrophobicContact CD2-CD2 4.47Å |
| 170 | Q | 83.7 | Confident | 79.6 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 175.6 | -176.3 | 177.3 | -16.7 | 0 | 0 | 112.2 | D166 C167 G174 F201 D207 | D166-Q170 PolarHBondContact O-N 3.33Å; C167-Q170 PolarHBondContact O-N 3.24Å; Q170-G174 PolarHBondContact O-N 2.86Å; Q170-F201 HydrophobicContact CB-CE2 4.38Å; Q170-F201 HydrophobicContact CB-CZ 3.73Å; Q170-F201 HydrophobicContact CG-CZ 3.95Å; Q170-D207 PolarHBondContact NE2-OD1 3.29Å |
| 171 | Q | 85.4 | Confident | 78.4 | Confident | 89 Ų | 89 | 48.7 Ų | 48.7 | 42% | 0.416 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69 | -44.4 | 176.5 | -69 | 174.7 | 11.6 | 0 | 0 | 112.1 | K146 C167 T168 L169 L173 G174 G175 | K146-Q171 HydrophobicContact CB-CB 3.82Å; C167-Q171 WeakPolarHBondContact O-CG 3.22Å; C167-Q171 PolarHBondContact O-N 3.05Å; C167-Q171 PolarHBondContact SG-NE2 3.43Å; T168-Q171 PolarHBondContact O-N 3.15Å; L169-Q171 VanDerWaalsContact C-N 3.28Å; L169-Q171 PolarHBondContact O-N 3.43Å; Q171-L173 VanDerWaalsContact C-N 3.34Å; Q171-L173 PolarHBondContact O-N 2.75Å; Q171-G174 PolarHBondContact O-N 2.95Å; Q171-G175 PolarHBondContact O-N 3.32Å |
| 172 | A | 86.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V144 K146 F149 T168 L169 G175 | V144-A172 HydrophobicContact CG2-CB 3.57Å; K146-A172 WeakPolarHBondContact O-CA 3.12Å; F149-A172 HydrophobicContact CD2-CB 4.39Å; T168-A172 PolarHBondContact O-N 2.81Å; L169-A172 PolarHBondContact O-N 3.32Å; A172-G175 PolarHBondContact O-N 3.39Å |
| 173 | L | 82.1 | Confident | 76 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.2 | -35.6 | 178.8 | -60.8 | 179.2 | 0 | 0 | 0 | 112.2 | V158 L169 Q171 G175 M176 A183 V186 F201 | V158-L173 HydrophobicContact CG2-CD2 4.48Å; L169-L173 HydrophobicContact CD1-CD1 4.1Å; L169-L173 HydrophobicContact CD1-CD2 4.37Å; L169-L173 HydrophobicContact CD1-CG 4.01Å; L169-L173 HydrophobicContact CD2-CD1 4.39Å; L169-L173 HydrophobicContact CG-CD1 3.87Å; L169-L173 HydrophobicContact CG-CG 4.16Å; L169-L173 WeakPolarHBondContact O-CB 3.1Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.38Å; L169-L173 PolarHBondContact O-N 3.35Å; Q171-L173 VanDerWaalsContact C-N 3.34Å; Q171-L173 PolarHBondContact O-N 2.75Å; L173-G175 PolarHBondContact O-N 3.3Å; L173-M176 HydrophobicContact CB-CE 4.25Å; L173-M176 HydrophobicContact CD2-CE 3.21Å; L173-M176 HydrophobicContact CD2-SD 4.4Å; L173-M176 HydrophobicContact CG-CE 4.3Å; L173-M176 WeakPolarHBondContact O-CB 3.23Å; L173-M176 PolarHBondContact O-N 2.91Å; L173-A183 HydrophobicContact CB-CB 4.39Å; L173-V186 HydrophobicContact CD1-CB 4.46Å; L173-V186 HydrophobicContact CD1-CG1 4.29Å; L173-V186 HydrophobicContact CD1-CG2 4.09Å; L173-V186 HydrophobicContact CD2-CG2 4.42Å; L173-F201 HydrophobicContact CB-CE1 4.4Å; L173-F201 HydrophobicContact CD1-CD1 3.64Å; L173-F201 HydrophobicContact CD1-CD2 4.31Å; L173-F201 HydrophobicContact CD1-CE1 3.78Å; L173-F201 HydrophobicContact CD1-CE2 4.42Å; L173-F201 HydrophobicContact CD1-CG 3.95Å; L173-F201 HydrophobicContact CD1-CZ 4.2Å |
| 174 | G | 77.8 | Confident | 74.9 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 57% | 0.567 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.3 | -30.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q170 Q171 M176 | Q170-G174 PolarHBondContact O-N 2.86Å; Q171-G174 PolarHBondContact O-N 2.95Å; G174-M176 PolarHBondContact O-N 3.02Å |
| 175 | G | 71.4 | Confident | 74.2 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q171 A172 L173 A177 | Q171-G175 PolarHBondContact O-N 3.32Å; A172-G175 PolarHBondContact O-N 3.39Å; L173-G175 PolarHBondContact O-N 3.3Å; G175-A177 PolarHBondContact O-N 3.47Å |
| 176 | M | 70.8 | Confident | 74.1 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 5% | 0.054 | 29% | 0.293 | C | S | . | . | trans | -85.2 | 41.8 | -178.6 | -53.5 | -165.5 | -55.7 | 0 | 0 | 112.8 | F149 V156 V158 L173 G174 H178 N179 | F149-M176 HydrophobicContact CB-CG 3.7Å; F149-M176 HydrophobicContact CB-SD 3.81Å; F149-M176 HydrophobicContact CD2-CG 4.46Å; F149-M176 HydrophobicContact CD2-SD 3.77Å; F149-M176 HydrophobicContact CG-CG 4.4Å; F149-M176 HydrophobicContact CG-SD 3.88Å; V156-M176 HydrophobicContact CB-SD 3.85Å; V156-M176 HydrophobicContact CG1-SD 4.15Å; V156-M176 HydrophobicContact CG2-SD 4.17Å; V158-M176 HydrophobicContact CG2-CE 4.5Å; L173-M176 HydrophobicContact CB-CE 4.25Å; L173-M176 HydrophobicContact CD2-CE 3.21Å; L173-M176 HydrophobicContact CD2-SD 4.4Å; L173-M176 HydrophobicContact CG-CE 4.3Å; L173-M176 WeakPolarHBondContact O-CB 3.23Å; L173-M176 PolarHBondContact O-N 2.91Å; G174-M176 PolarHBondContact O-N 3.02Å; M176-H178 PolarHBondContact O-N 3.06Å; M176-N179 PolarHBondContact O-N 2.99Å | ||
| 177 | A | 53.1 | Low | 74.2 | Confident | 81 Ų | 81 | 54.7 Ų | 54.7 | 67% | 0.669 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -15.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116 | G175 | G175-A177 PolarHBondContact O-N 3.47Š|
| 178 | H | 54.5 | Low | 74.2 | Confident | 167 Ų | 167 | 53.2 Ų | 53.2 | 77% | 0.773 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -7.8 | 174.4 | -83.7 | -24.7 | 0 | 0 | 0 | 115.7 | M176 | M176-H178 PolarHBondContact O-N 3.06Š|
| 179 | N | 58.7 | Low | 74.2 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 15% | 0.15 | 31% | 0.312 | C | S | . | . | trans | -129.1 | 60 | -176.1 | -55.1 | -56.9 | 0 | 0 | 0 | 112.1 | A154 R155 M176 E181 A182 | A154-N179 PolarHBondContact O-ND2 3.2Å; R155-N179 WeakPolarHBondContact CA-ND2 3.45Å; M176-N179 PolarHBondContact O-N 2.99Å; N179-E181 PolarHBondContact O-N 2.83Å; N179-A182 HydrophobicContact CB-CB 4.2Å; N179-A182 PolarHBondContact O-N 3.32Å | ||
| 180 | H | 57 | Low | 74 | Confident | 146 Ų | 146 | 61.1 Ų | 61.1 | 68% | 0.676 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -52.8 | -27 | 176.8 | -127.2 | 72.5 | 0 | 0 | 0 | 112.9 | ||
| 181 | E | 66.4 | Low | 73.9 | Confident | 140 Ų | 140 | 59.7 Ų | 59.7 | 65% | 0.654 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71.9 | -30.6 | 178.5 | -66.6 | -174.3 | 171.6 | 0 | 0 | 114.7 | N179 A184 | N179-E181 PolarHBondContact O-N 2.83Å; E181-A184 WeakPolarHBondContact O-CB 3.39Å; E181-A184 PolarHBondContact O-N 2.81Å |
| 182 | A | 67.6 | Low | 73 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 3% | 0.033 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -74.1 | -41.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V156 N179 A184 R185 | V156-A182 WeakPolarHBondContact O-CB 3.48Å; N179-A182 HydrophobicContact CB-CB 4.2Å; N179-A182 PolarHBondContact O-N 3.32Å; A182-A184 PolarHBondContact O-N 2.8Å; A182-R185 PolarHBondContact O-N 3.14Å |
| 183 | A | 67.5 | Low | 72.1 | Confident | 10 Ų | 10 | 65 Ų | 65 | 8% | 0.083 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.7 | -26.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L173 R185 V186 L202 | L173-A183 HydrophobicContact CB-CB 4.39Å; A183-R185 VanDerWaalsContact C-N 3.27Å; A183-R185 PolarHBondContact O-N 2.98Å; A183-V186 PolarHBondContact O-N 2.93Å; A183-L202 HydrophobicContact CB-CD2 4.44Å; A183-L202 HydrophobicContact CB-CG 4.41Å |
| 184 | A | 68 | Low | 71.2 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 31% | 0.306 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.1 | -29.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E181 A182 H200 L202 | E181-A184 WeakPolarHBondContact O-CB 3.39Å; E181-A184 PolarHBondContact O-N 2.81Å; A182-A184 PolarHBondContact O-N 2.8Å; A184-H200 PolarHBondContact O-ND1 2.85Å; A184-L202 HydrophobicContact CB-CD1 3.4Å; A184-L202 VanDerWaalsContact CB-CD1 3.4Å; A184-L202 HydrophobicContact CB-CG 4.34Å |
| 185 | R | 76.5 | Confident | 70.6 | Confident | 134 Ų | 134 | 77.2 Ų | 77.2 | 51% | 0.506 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -2.3 | -174.2 | -64.3 | 179.4 | -175.5 | 152.9 | 6.5 | 113.4 | D159 A182 A183 L187 | D159-R185 WeakPolarHBondContact OD1-CB 3.49Å; D159-R185 WeakPolarHBondContact OD1-CD 3.23Å; A182-R185 PolarHBondContact O-N 3.14Å; A183-R185 VanDerWaalsContact C-N 3.27Å; A183-R185 PolarHBondContact O-N 2.98Å; R185-L187 PolarHBondContact O-N 2.9Å |
| 186 | V | 85.2 | Confident | 70.2 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | trans | -66.2 | 120.7 | 172.2 | 175.1 | 0 | 0 | 0 | 0 | 109 | V158 W163 L169 L173 A183 H200 F201 | V158-V186 HydrophobicContact CG2-CG2 3.95Å; W163-V186 HydrophobicContact CB-CG1 4.19Å; W163-V186 HydrophobicContact CD2-CG1 4.44Å; W163-V186 HydrophobicContact CG-CG1 3.8Å; L169-V186 HydrophobicContact CD2-CG1 4.39Å; L173-V186 HydrophobicContact CD1-CB 4.46Å; L173-V186 HydrophobicContact CD1-CG1 4.29Å; L173-V186 HydrophobicContact CD1-CG2 4.09Å; L173-V186 HydrophobicContact CD2-CG2 4.42Å; A183-V186 PolarHBondContact O-N 2.93Å; V186-H200 WeakPolarHBondContact O-CA 3.5Å; V186-F201 HydrophobicContact CB-CB 3.9Å; V186-F201 HydrophobicContact CG1-CB 3.93Å; V186-F201 HydrophobicContact CG1-CG 4.46Å; V186-F201 PolarHBondContact O-N 2.78Å | ||
| 187 | L | 86.1 | Confident | 70.3 | Confident | 75 Ų | 75 | 80.7 Ų | 80.7 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -107.7 | 124.2 | 175 | -172.6 | 130.7 | 0 | 0 | 0 | 109.6 | R185 R189 | R185-L187 PolarHBondContact O-N 2.9Å; L187-R189 PolarHBondContact O-N 2.76Å |
| 188 | C | 86.5 | Confident | 71.2 | Confident | 3 Ų | 3 | 79.2 Ų | 79.2 | 2% | 0.02 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 117.4 | -179.8 | -61.1 | 0 | 0 | 0 | 0 | 110 | C165 Q196 G198 R199 | C165-C188 HydrophobicContact CB-CB 3.72Å; C165-C188 WeakPolarHBondContact CB-SG 3.09Å; C165-C188 WeakPolarHBondContact SG-CA 3.24Å; C165-C188 WeakPolarHBondContact SG-CB 3.24Å; C165-C188 CovalentContact SG-SG 2.01Å; C165-C188 PolarHBondContact SG-SG 3.19Å; C188-Q196 VanDerWaalsContact CB-O 3.32Å; C188-Q196 WeakPolarHBondContact CB-O 3.33Å; C188-G198 WeakPolarHBondContact O-CA 3.44Å; C188-G198 PolarHBondContact O-N 3.04Å; C188-R199 PolarHBondContact N-O 2.98Å |
| 189 | R | 87.6 | Confident | 72.1 | Confident | 181 Ų | 181 | 77.9 Ų | 77.9 | 68% | 0.683 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -38.5 | 174 | -176.8 | 60.7 | 176.9 | -165.8 | 2.4 | 111.6 | P162 W163 L187 | P162-R189 HydrophobicContact CB-CB 4.24Å; P162-R189 HydrophobicContact CB-CG 4.25Å; W163-R189 PolarHBondContact O-N 3.45Å; L187-R189 PolarHBondContact O-N 2.76Å |
| 190 | S | 82.3 | Confident | 72.8 | Confident | 41 Ų | 41 | 81.1 Ų | 81.1 | 29% | 0.287 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 158.8 | 174.8 | 59.4 | 0 | 0 | 0 | 0 | 109.5 | W163 H164 C165 | W163-S190 PolarHBondContact O-N 3.33Å; H164-S190 CarbonylContact C-O 3.56Å; H164-S190 WeakPolarHBondContact CA-O 3.34Å; H164-S190 PolarHBondContact ND1-OG 3.42Å; C165-S190 PolarHBondContact N-O 3.02Å |
| 191 | S | 80.6 | Confident | 73.6 | Confident | 12 Ų | 12 | 75.3 Ų | 75.3 | 8% | 0.084 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 155.7 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | C165 L193 | C165-S191 WeakPolarHBondContact O-CA 3.02Å; C165-S191 WeakPolarHBondContact O-CB 3.38Å; C165-S191 PolarHBondContact O-OG 2.6Å; S191-L193 WeakPolarHBondContact CB-O 3.44Å; S191-L193 PolarHBondContact O-N 3.29Å; S191-L193 PolarHBondContact OG-N 3.24Å |
| 192 | E | 68.3 | Low | 73.5 | Confident | 148 Ų | 148 | 72.6 Ų | 72.6 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -58.8 | -21.2 | 167.1 | -65.6 | -162.4 | 152.5 | 0 | 0 | 112.3 | ||
| 193 | L | 66.6 | Low | 73 | Confident | 51 Ų | 51 | 76.1 Ų | 76.1 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -106 | 106.6 | 175.5 | -63 | 160.3 | 0 | 0 | 0 | 108.8 | S191 E195 Q196 L208 L211 | S191-L193 WeakPolarHBondContact CB-O 3.44Å; S191-L193 PolarHBondContact O-N 3.29Å; S191-L193 PolarHBondContact OG-N 3.24Å; L193-E195 PolarHBondContact O-N 2.98Å; L193-Q196 HydrophobicContact CB-CG 3.83Å; L193-Q196 HydrophobicContact CD1-CG 4.47Å; L193-Q196 WeakPolarHBondContact O-CB 3.42Å; L193-Q196 PolarHBondContact O-N 3.26Å; L193-L208 HydrophobicContact CD1-CD2 4.19Å; L193-L211 HydrophobicContact CD1-CD2 3.26Å; L193-L211 HydrophobicContact CD1-CG 4.13Å; L193-L211 HydrophobicContact CD2-CD2 3.83Å; L193-L211 HydrophobicContact CD2-CG 4.29Å; L193-L211 HydrophobicContact CG-CD2 4.17Å |
| 194 | Q | 62.3 | Low | 72.5 | Confident | 162 Ų | 162 | 77 Ų | 77 | 76% | 0.757 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -59.9 | -16.8 | -174.5 | -160.4 | 145 | 9.4 | 0 | 0 | 114.2 | Q196 | Q194-Q196 VanDerWaalsContact C-N 3.27Å; Q194-Q196 PolarHBondContact O-N 3.37Å |
| 195 | E | 64.7 | Low | 72.1 | Confident | 158 Ų | 158 | 83.6 Ų | 83.6 | 74% | 0.738 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -75.1 | -10.4 | 174.1 | -63 | -176.2 | 166.5 | 0 | 0 | 114.4 | L193 R199 | L193-E195 PolarHBondContact O-N 2.98Å; E195-R199 PolarHBondContact O-NE 3.49Å |
| 196 | Q | 64.4 | Low | 71.5 | Confident | 19 Ų | 19 | 80.4 Ų | 80.4 | 9% | 0.089 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -100.2 | -3.8 | -174.8 | -57.3 | -61 | -13.1 | 0 | 0 | 113.8 | C188 L193 Q194 G198 R199 | C188-Q196 VanDerWaalsContact CB-O 3.32Å; C188-Q196 WeakPolarHBondContact CB-O 3.33Å; L193-Q196 HydrophobicContact CB-CG 3.83Å; L193-Q196 HydrophobicContact CD1-CG 4.47Å; L193-Q196 WeakPolarHBondContact O-CB 3.42Å; L193-Q196 PolarHBondContact O-N 3.26Å; Q194-Q196 VanDerWaalsContact C-N 3.27Å; Q194-Q196 PolarHBondContact O-N 3.37Å; Q196-G198 PolarHBondContact O-N 2.99Å; Q196-R199 PolarHBondContact O-N 3.21Å |
| 197 | E | 72.4 | Confident | 70.9 | Confident | 98 Ų | 98 | 84.5 Ų | 84.5 | 46% | 0.458 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 126.5 | 176.2 | -58.6 | -169.5 | 160.7 | 0 | 0 | 110.8 | ||
| 198 | G | 71.4 | Confident | 70.4 | Confident | 49 Ų | 49 | 81.7 Ų | 81.7 | 51% | 0.505 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C188 Q196 | C188-G198 WeakPolarHBondContact O-CA 3.44Å; C188-G198 PolarHBondContact O-N 3.04Å; Q196-G198 PolarHBondContact O-N 2.99Å |
| 199 | R | 73.4 | Confident | 69.9 | Low | 139 Ų | 139 | 83.2 Ų | 83.2 | 53% | 0.525 | 43% | 0.429 | S | S | . | . | trans | -95.4 | 153.4 | 177.3 | -64.2 | -171.1 | -179.4 | -166.1 | 3 | 112.2 | C188 E195 Q196 | C188-R199 PolarHBondContact N-O 2.98Å; E195-R199 PolarHBondContact O-NE 3.49Å; Q196-R199 PolarHBondContact O-N 3.21Å | ||
| 200 | H | 74.9 | Confident | 69.2 | Low | 96 Ų | 96 | 79.2 Ų | 79.2 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -69.9 | 139 | 169.4 | -70.9 | -87.1 | 0 | 0 | 0 | 110.2 | A184 V186 L202 A203 | A184-H200 PolarHBondContact O-ND1 2.85Å; V186-H200 WeakPolarHBondContact O-CA 3.5Å; H200-L202 PolarHBondContact O-N 3.39Å; H200-A203 HydrophobicContact CB-CB 4.24Å; H200-A203 WeakPolarHBondContact O-CB 3.46Å; H200-A203 PolarHBondContact O-N 3.22Å; H200-A203 VanDerWaalsContact O-N 3.14Å |
| 201 | F | 73 | Confident | 68.5 | Low | 24 Ų | 24 | 80 Ų | 80 | 11% | 0.105 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -58.9 | -43.7 | -176.5 | -173.8 | -97.3 | 0 | 0 | 0 | 113.1 | L169 Q170 L173 V186 A203 V204 L208 | L169-F201 HydrophobicContact CD2-CD2 4.47Å; Q170-F201 HydrophobicContact CB-CE2 4.38Å; Q170-F201 HydrophobicContact CB-CZ 3.73Å; Q170-F201 HydrophobicContact CG-CZ 3.95Å; L173-F201 HydrophobicContact CB-CE1 4.4Å; L173-F201 HydrophobicContact CD1-CD1 3.64Å; L173-F201 HydrophobicContact CD1-CD2 4.31Å; L173-F201 HydrophobicContact CD1-CE1 3.78Å; L173-F201 HydrophobicContact CD1-CE2 4.42Å; L173-F201 HydrophobicContact CD1-CG 3.95Å; L173-F201 HydrophobicContact CD1-CZ 4.2Å; V186-F201 HydrophobicContact CB-CB 3.9Å; V186-F201 HydrophobicContact CG1-CB 3.93Å; V186-F201 HydrophobicContact CG1-CG 4.46Å; V186-F201 PolarHBondContact O-N 2.78Å; F201-A203 VanDerWaalsContact C-N 3.32Å; F201-A203 PolarHBondContact O-N 3.15Å; F201-V204 PolarHBondContact O-N 2.86Å; F201-L208 HydrophobicContact CE2-CD1 4.05Å; F201-L208 HydrophobicContact CZ-CD1 4.42Å |
| 202 | L | 63.6 | Low | 67.6 | Low | 83 Ų | 83 | 81 Ų | 81 | 44% | 0.435 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -76.5 | -9.9 | 178.9 | -71.9 | -176.4 | 0 | 0 | 0 | 115.1 | A183 A184 H200 V204 | A183-L202 HydrophobicContact CB-CD2 4.44Å; A183-L202 HydrophobicContact CB-CG 4.41Å; A184-L202 HydrophobicContact CB-CD1 3.4Å; A184-L202 VanDerWaalsContact CB-CD1 3.4Å; A184-L202 HydrophobicContact CB-CG 4.34Å; H200-L202 PolarHBondContact O-N 3.39Å; L202-V204 PolarHBondContact O-N 2.76Å |
| 203 | A | 58.2 | Low | 67.4 | Low | 78 Ų | 78 | 80.5 Ų | 80.5 | 65% | 0.645 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -74.2 | -4.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H200 F201 | H200-A203 HydrophobicContact CB-CB 4.24Å; H200-A203 WeakPolarHBondContact O-CB 3.46Å; H200-A203 PolarHBondContact O-N 3.22Å; H200-A203 VanDerWaalsContact O-N 3.14Å; F201-A203 VanDerWaalsContact C-N 3.32Å; F201-A203 PolarHBondContact O-N 3.15Å |
| 204 | V | 57.4 | Low | 67.3 | Low | 28 Ų | 28 | 85.7 Ų | 85.7 | 17% | 0.17 | 44% | 0.443 | C | S | . | . | trans | -113 | 93.8 | -168.5 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | F201 L202 T206 | F201-V204 PolarHBondContact O-N 2.86Å; L202-V204 PolarHBondContact O-N 2.76Å; V204-T206 HydrophobicContact CG1-CG2 4.45Å; V204-T206 WeakPolarHBondContact CG1-OG1 3.3Å; V204-T206 PolarHBondContact O-N 2.88Å | ||
| 205 | D | 58.7 | Low | 67.5 | Low | 177 Ų | 177 | 81.6 Ų | 81.6 | 95% | 0.947 | 43% | 0.429 | S | S | * | . | trans | -73.5 | 23.4 | 175.6 | -143.5 | 14.7 | 0 | 0 | 0 | 112.1 | ||||
| 206 | T | 63.9 | Low | 67.6 | Low | 66 Ų | 66 | 78.1 Ų | 78.1 | 41% | 0.405 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -110.8 | 119.9 | -178 | 64.6 | 0 | 0 | 0 | 0 | 110.2 | V204 L208 | V204-T206 HydrophobicContact CG1-CG2 4.45Å; V204-T206 WeakPolarHBondContact CG1-OG1 3.3Å; V204-T206 PolarHBondContact O-N 2.88Å; T206-L208 PolarHBondContact O-N 3.49Å |
| 207 | D | 73.6 | Confident | 68.1 | Low | 87 Ų | 87 | 81.3 Ų | 81.3 | 47% | 0.465 | 44% | 0.436 | S | S | . | . | trans | -62.2 | 99.9 | 171.6 | -81.7 | -34.5 | 0 | 0 | 0 | 111.2 | Q170 C209 N210 L211 | Q170-D207 PolarHBondContact NE2-OD1 3.29Å; D207-C209 PolarHBondContact O-N 2.87Å; D207-N210 HydrophobicContact CB-CB 3.82Å; D207-N210 PolarHBondContact O-N 2.82Å; D207-N210 VanDerWaalsContact O-N 3.11Å; D207-N210 PolarHBondContact OD2-ND2 3.3Å; D207-L211 WeakPolarHBondContact O-CB 3.16Å; D207-L211 PolarHBondContact O-N 3.23Å | ||
| 208 | L | 73.6 | Confident | 68.5 | Low | 16 Ų | 16 | 83.4 Ų | 83.4 | 8% | 0.084 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.5 | -35.9 | 175 | -69.1 | 113.5 | 0 | 0 | 0 | 110.8 | L193 F201 T206 N210 L211 A212 | L193-L208 HydrophobicContact CD1-CD2 4.19Å; F201-L208 HydrophobicContact CE2-CD1 4.05Å; F201-L208 HydrophobicContact CZ-CD1 4.42Å; T206-L208 PolarHBondContact O-N 3.49Å; L208-N210 PolarHBondContact O-N 3.21Å; L208-L211 PolarHBondContact O-N 3.08Å; L208-A212 PolarHBondContact O-N 3.25Å |
| 209 | C | 76.3 | Confident | 68.8 | Low | 34 Ų | 34 | 83.8 Ų | 83.8 | 23% | 0.23 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 177.1 | -65.8 | 0 | 0 | 0 | 0 | 114.2 | C167 D207 | C167-C209 VanDerWaalsContact CA-SG 3.5Å; C167-C209 HydrophobicContact CB-CB 3.96Å; C167-C209 WeakPolarHBondContact CB-SG 3.47Å; C167-C209 PolarHBondContact O-SG 3.01Å; C167-C209 WeakPolarHBondContact SG-CA 3.17Å; C167-C209 WeakPolarHBondContact SG-CB 3.34Å; C167-C209 CovalentContact SG-SG 2.04Å; C167-C209 PolarHBondContact SG-SG 2.76Å; D207-C209 PolarHBondContact O-N 2.87Å |
| 210 | N | 73.6 | Confident | 69.2 | Low | 98 Ų | 98 | 83.7 Ų | 83.7 | 52% | 0.524 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -80.1 | -31.9 | 177 | -76.1 | -38.1 | 0 | 0 | 0 | 111.4 | D207 L208 K213 R214 | D207-N210 HydrophobicContact CB-CB 3.82Å; D207-N210 PolarHBondContact O-N 2.82Å; D207-N210 VanDerWaalsContact O-N 3.11Å; D207-N210 PolarHBondContact OD2-ND2 3.3Å; L208-N210 PolarHBondContact O-N 3.21Å; N210-K213 PolarHBondContact O-N 3.36Å; N210-R214 PolarHBondContact O-N 3.31Å |
| 211 | L | 67.5 | Low | 69.7 | Low | 57 Ų | 57 | 83 Ų | 83 | 30% | 0.298 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | -180 | -170.4 | 51.1 | 0 | 0 | 0 | 112 | L193 D207 L208 K213 R214 T215 | L193-L211 HydrophobicContact CD1-CD2 3.26Å; L193-L211 HydrophobicContact CD1-CG 4.13Å; L193-L211 HydrophobicContact CD2-CD2 3.83Å; L193-L211 HydrophobicContact CD2-CG 4.29Å; L193-L211 HydrophobicContact CG-CD2 4.17Å; D207-L211 WeakPolarHBondContact O-CB 3.16Å; D207-L211 PolarHBondContact O-N 3.23Å; L208-L211 PolarHBondContact O-N 3.08Å; L211-K213 VanDerWaalsContact C-N 3.28Å; L211-K213 PolarHBondContact O-N 2.79Å; L211-R214 PolarHBondContact O-N 3.34Å; L211-R214 VanDerWaalsContact O-N 3.12Å; L211-T215 PolarHBondContact O-N 3.17Å; L211-T215 PolarHBondContact O-OG1 2.83Å |
| 212 | A | 61.7 | Low | 70.6 | Confident | 34 Ų | 34 | 86.9 Ų | 86.9 | 28% | 0.281 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.9 | -39 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L208 T215 T216 | L208-A212 PolarHBondContact O-N 3.25Å; A212-T215 PolarHBondContact O-OG1 3.36Å; A212-T216 WeakPolarHBondContact O-CG2 3Å; A212-T216 PolarHBondContact O-N 3.04Å; A212-T216 PolarHBondContact O-OG1 3.32Å |
| 213 | K | 64.9 | Low | 71.9 | Confident | 136 Ų | 136 | 87.4 Ų | 87.4 | 59% | 0.591 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.9 | -39.8 | 175.1 | -170.3 | 178.9 | -175.3 | -176.2 | 0 | 112.2 | N210 L211 T216 D217 | N210-K213 PolarHBondContact O-N 3.36Å; L211-K213 VanDerWaalsContact C-N 3.28Å; L211-K213 PolarHBondContact O-N 2.79Å; K213-T216 PolarHBondContact O-N 2.96Å; K213-T216 PolarHBondContact O-OG1 3.2Å; K213-D217 PolarHBondContact O-N 3.17Å; K213-D217 VanDerWaalsContact O-N 3.1Å |
| 214 | R | 64.4 | Low | 73.5 | Confident | 161 Ų | 161 | 87.5 Ų | 87.5 | 61% | 0.608 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.8 | -42 | -178.3 | -143 | -177.8 | -170.2 | 160.9 | 4 | 111.8 | N210 L211 D217 Y218 | N210-R214 PolarHBondContact O-N 3.31Å; L211-R214 PolarHBondContact O-N 3.34Å; L211-R214 VanDerWaalsContact O-N 3.12Å; R214-D217 PolarHBondContact O-N 2.98Å; R214-Y218 HydrophobicContact CG-CD2 4.41Å; R214-Y218 HydrophobicContact CG-CE2 3.83Å; R214-Y218 WeakPolarHBondContact O-CD2 3.38Å; R214-Y218 PolarHBondContact O-N 2.8Å |
| 215 | T | 65.3 | Low | 75.3 | Confident | 76 Ų | 76 | 92.6 Ų | 92.6 | 47% | 0.466 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 178.4 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | L211 A212 Y218 A219 | L211-T215 PolarHBondContact O-N 3.17Å; L211-T215 PolarHBondContact O-OG1 2.83Å; A212-T215 PolarHBondContact O-OG1 3.36Å; T215-Y218 PolarHBondContact O-N 3.45Å; T215-A219 WeakPolarHBondContact O-CB 3.47Å; T215-A219 PolarHBondContact O-N 3.28Å |
| 216 | T | 67.6 | Low | 77.1 | Confident | 85 Ų | 85 | 86.2 Ų | 86.2 | 52% | 0.521 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 174.3 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | A212 K213 Y218 A219 M220 | A212-T216 WeakPolarHBondContact O-CG2 3Å; A212-T216 PolarHBondContact O-N 3.04Å; A212-T216 PolarHBondContact O-OG1 3.32Å; K213-T216 PolarHBondContact O-N 2.96Å; K213-T216 PolarHBondContact O-OG1 3.2Å; T216-Y218 PolarHBondContact O-N 3.38Å; T216-A219 PolarHBondContact O-N 2.02Å; T216-M220 WeakPolarHBondContact O-CB 3.34Å; T216-M220 PolarHBondContact O-N 3.5Å |
| 217 | D | 74.4 | Confident | 78.7 | Confident | 86 Ų | 86 | 90.4 Ų | 90.4 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 178 | -77.5 | -20.3 | 0 | 0 | 0 | 111.4 | K213 R214 M220 L221 | K213-D217 PolarHBondContact O-N 3.17Å; K213-D217 VanDerWaalsContact O-N 3.1Å; R214-D217 PolarHBondContact O-N 2.98Å; D217-M220 PolarHBondContact O-N 3.21Å; D217-L221 WeakPolarHBondContact O-CB 3.48Å; D217-L221 VanDerWaalsContact O-CG 3.25Å; D217-L221 WeakPolarHBondContact O-CG 3.27Å; D217-L221 PolarHBondContact O-N 3.24Å |
| 218 | Y | 80.7 | Confident | 79.8 | Confident | 141 Ų | 141 | 90.5 Ų | 90.5 | 55% | 0.553 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.7 | -43.8 | 175.4 | -73.1 | -65 | 0 | 0 | 0 | 112.6 | R214 T215 T216 M220 L221 V222 | R214-Y218 HydrophobicContact CG-CD2 4.41Å; R214-Y218 HydrophobicContact CG-CE2 3.83Å; R214-Y218 WeakPolarHBondContact O-CD2 3.38Å; R214-Y218 PolarHBondContact O-N 2.8Å; T215-Y218 PolarHBondContact O-N 3.45Å; T216-Y218 PolarHBondContact O-N 3.38Å; Y218-M220 VanDerWaalsContact C-N 3.31Å; Y218-M220 PolarHBondContact O-N 3.28Å; Y218-L221 PolarHBondContact O-N 3.15Å; Y218-V222 VanDerWaalsContact O-CG2 3.29Å; Y218-V222 WeakPolarHBondContact O-CG2 3Å; Y218-V222 PolarHBondContact O-N 3.39Å |
| 219 | A | 78.5 | Confident | 80.9 | Confident | 58 Ų | 58 | 92.1 Ų | 92.1 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | T215 T216 V222 T223 | T215-A219 WeakPolarHBondContact O-CB 3.47Å; T215-A219 PolarHBondContact O-N 3.28Å; T216-A219 PolarHBondContact O-N 2.02Å; A219-V222 PolarHBondContact O-N 2.85Å; A219-T223 WeakPolarHBondContact O-CG2 3.05Å; A219-T223 PolarHBondContact O-N 2.98Å; A219-T223 PolarHBondContact O-OG1 2.84Å |
| 220 | M | 81.5 | Confident | 81.8 | Confident | 136 Ų | 136 | 96.4 Ų | 96.4 | 67% | 0.67 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.1 | -36.7 | 178.2 | -144.2 | -176.9 | 83.1 | 0 | 0 | 112.4 | T216 D217 Y218 T223 M224 | T216-M220 WeakPolarHBondContact O-CB 3.34Å; T216-M220 PolarHBondContact O-N 3.5Å; D217-M220 PolarHBondContact O-N 3.21Å; Y218-M220 VanDerWaalsContact C-N 3.31Å; Y218-M220 PolarHBondContact O-N 3.28Å; M220-T223 PolarHBondContact O-OG1 3.46Å; M220-M224 VanDerWaalsContact O-CB 3.3Å; M220-M224 WeakPolarHBondContact O-CB 3.16Å; M220-M224 PolarHBondContact O-N 3.08Å |
| 221 | L | 86.3 | Confident | 83 | Confident | 82 Ų | 82 | 94 Ų | 94 | 43% | 0.429 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 173.4 | -74 | 170.3 | 0 | 0 | 0 | 111.6 | D217 Y218 T223 M224 F225 | D217-L221 WeakPolarHBondContact O-CB 3.48Å; D217-L221 VanDerWaalsContact O-CG 3.25Å; D217-L221 WeakPolarHBondContact O-CG 3.27Å; D217-L221 PolarHBondContact O-N 3.24Å; Y218-L221 PolarHBondContact O-N 3.15Å; L221-T223 VanDerWaalsContact C-N 3.35Å; L221-T223 PolarHBondContact O-N 2.83Å; L221-M224 WeakPolarHBondContact O-CB 2.92Å; L221-M224 PolarHBondContact O-N 3.11Å; L221-F225 HydrophobicContact CD2-CE2 4.45Å; L221-F225 WeakPolarHBondContact O-CD2 3.48Å; L221-F225 PolarHBondContact O-N 3.28Å |
| 222 | V | 91.6 | Very high | 84.4 | Confident | 105 Ų | 105 | 96.2 Ų | 96.2 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.4 | -43.3 | 178.6 | 170.8 | 0 | 0 | 0 | 0 | 111 | Y218 A219 G226 | Y218-V222 VanDerWaalsContact O-CG2 3.29Å; Y218-V222 WeakPolarHBondContact O-CG2 3Å; Y218-V222 PolarHBondContact O-N 3.39Å; A219-V222 PolarHBondContact O-N 2.85Å; V222-G226 PolarHBondContact O-N 2.99Å |
| 223 | T | 90.7 | Very high | 86 | Confident | 94 Ų | 94 | 98.4 Ų | 98.4 | 58% | 0.577 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.3 | -37.5 | 176.4 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | A219 M220 L221 G226 W227 | A219-T223 WeakPolarHBondContact O-CG2 3.05Å; A219-T223 PolarHBondContact O-N 2.98Å; A219-T223 PolarHBondContact O-OG1 2.84Å; M220-T223 PolarHBondContact O-OG1 3.46Å; L221-T223 VanDerWaalsContact C-N 3.35Å; L221-T223 PolarHBondContact O-N 2.83Å; T223-G226 PolarHBondContact O-N 3.47Å; T223-W227 WeakPolarHBondContact O-CB 3.49Å; T223-W227 PolarHBondContact O-N 2.63Å |
| 224 | M | 91.9 | Very high | 87.5 | Confident | 80 Ų | 80 | 98.7 Ų | 98.7 | 39% | 0.394 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -50.9 | 174.9 | -166.1 | -152.3 | 82.3 | 0 | 0 | 111.5 | M220 L221 G226 W227 F228 | M220-M224 VanDerWaalsContact O-CB 3.3Å; M220-M224 WeakPolarHBondContact O-CB 3.16Å; M220-M224 PolarHBondContact O-N 3.08Å; L221-M224 WeakPolarHBondContact O-CB 2.92Å; L221-M224 PolarHBondContact O-N 3.11Å; M224-G226 VanDerWaalsContact C-N 3.33Å; M224-G226 PolarHBondContact O-N 2.96Å; M224-W227 PolarHBondContact O-N 3.01Å; M224-F228 HydrophobicContact CE-CD2 3.62Å; M224-F228 HydrophobicContact CE-CE2 3.56Å; M224-F228 HydrophobicContact CG-CD2 3.75Å; M224-F228 HydrophobicContact CG-CE2 3.48Å; M224-F228 VanDerWaalsContact CG-CE2 3.48Å; M224-F228 WeakPolarHBondContact O-CD2 3.33Å; M224-F228 PolarHBondContact O-N 3.02Å; M224-F228 HydrophobicContact SD-CD2 4.25Å; M224-F228 HydrophobicContact SD-CE2 3.72Å |
| 225 | F | 95.6 | Very high | 89.1 | Confident | 135 Ų | 135 | 94.7 Ų | 94.7 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.4 | -38.3 | 177.3 | -81.4 | -70 | 0 | 0 | 0 | 112.1 | L221 F228 A229 | L221-F225 HydrophobicContact CD2-CE2 4.45Å; L221-F225 WeakPolarHBondContact O-CD2 3.48Å; L221-F225 PolarHBondContact O-N 3.28Å; F225-F228 PolarHBondContact O-N 3.28Å; F225-A229 VanDerWaalsContact O-CB 3.31Å; F225-A229 WeakPolarHBondContact O-CB 3.49Å; F225-A229 PolarHBondContact O-N 3.29Å |
| 226 | G | 95.8 | Very high | 90.6 | Very high | 43 Ų | 43 | 94.8 Ų | 94.8 | 44% | 0.443 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V222 T223 M224 M230 | V222-G226 PolarHBondContact O-N 2.99Å; T223-G226 PolarHBondContact O-N 3.47Å; M224-G226 VanDerWaalsContact C-N 3.33Å; M224-G226 PolarHBondContact O-N 2.96Å; G226-M230 WeakPolarHBondContact O-CB 2.92Å; G226-M230 PolarHBondContact O-N 2.85Å |
| 227 | W | 96.7 | Very high | 91.9 | Very high | 155 Ų | 155 | 97.7 Ų | 97.7 | 59% | 0.587 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -45.8 | 176.4 | -173.4 | 81.7 | 0 | 0 | 0 | 112 | T223 M224 A229 M230 V231 | T223-W227 WeakPolarHBondContact O-CB 3.49Å; T223-W227 PolarHBondContact O-N 2.63Å; M224-W227 PolarHBondContact O-N 3.01Å; W227-A229 VanDerWaalsContact C-N 3.35Å; W227-A229 PolarHBondContact O-N 2.94Å; W227-M230 PolarHBondContact O-N 3.23Å; W227-V231 HydrophobicContact CD2-CG2 3.88Å; W227-V231 HydrophobicContact CE3-CG2 4.1Å; W227-V231 HydrophobicContact CH2-CG2 3.95Å; W227-V231 HydrophobicContact CZ2-CG2 3.71Å; W227-V231 HydrophobicContact CZ3-CG2 4.14Å; W227-V231 WeakPolarHBondContact O-CG2 3.3Å; W227-V231 PolarHBondContact O-N 3.21Å |
| 228 | F | 96.8 | Very high | 92.9 | Very high | 88 Ų | 88 | 99.7 Ų | 99.7 | 39% | 0.386 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 176.1 | -81.5 | -63.3 | 0 | 0 | 0 | 112.2 | M224 F225 M230 V231 I232 | M224-F228 HydrophobicContact CE-CD2 3.62Å; M224-F228 HydrophobicContact CE-CE2 3.56Å; M224-F228 HydrophobicContact CG-CD2 3.75Å; M224-F228 HydrophobicContact CG-CE2 3.48Å; M224-F228 VanDerWaalsContact CG-CE2 3.48Å; M224-F228 WeakPolarHBondContact O-CD2 3.33Å; M224-F228 PolarHBondContact O-N 3.02Å; M224-F228 HydrophobicContact SD-CD2 4.25Å; M224-F228 HydrophobicContact SD-CE2 3.72Å; F225-F228 PolarHBondContact O-N 3.28Å; F228-M230 VanDerWaalsContact C-N 3.32Å; F228-M230 PolarHBondContact O-N 3.14Å; F228-V231 PolarHBondContact O-N 3.05Å; F228-I232 WeakPolarHBondContact O-CB 3.16Å; F228-I232 WeakPolarHBondContact O-CD1 3.18Å; F228-I232 WeakPolarHBondContact O-CG1 3.37Å; F228-I232 PolarHBondContact O-N 3.18Å |
| 229 | A | 96.4 | Very high | 93.6 | Very high | 51 Ų | 51 | 96.1 Ų | 96.1 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | F225 W227 I232 S233 | F225-A229 VanDerWaalsContact O-CB 3.31Å; F225-A229 WeakPolarHBondContact O-CB 3.49Å; F225-A229 PolarHBondContact O-N 3.29Å; W227-A229 VanDerWaalsContact C-N 3.35Å; W227-A229 PolarHBondContact O-N 2.94Å; A229-I232 PolarHBondContact O-N 3.04Å; A229-S233 WeakPolarHBondContact O-CB 3.46Å; A229-S233 PolarHBondContact O-N 3.24Å; A229-S233 PolarHBondContact O-OG 2.91Å |
| 230 | M | 96.9 | Very high | 94.3 | Very high | 124 Ų | 124 | 100.9 Ų | 100.9 | 61% | 0.611 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 178.1 | -172.5 | -104.2 | 175.4 | 0 | 0 | 112.5 | G226 W227 F228 S233 Y234 | G226-M230 WeakPolarHBondContact O-CB 2.92Å; G226-M230 PolarHBondContact O-N 2.85Å; W227-M230 PolarHBondContact O-N 3.23Å; F228-M230 VanDerWaalsContact C-N 3.32Å; F228-M230 PolarHBondContact O-N 3.14Å; M230-S233 PolarHBondContact O-N 2.04Å; M230-Y234 WeakPolarHBondContact O-CB 3.3Å; M230-Y234 PolarHBondContact O-N 2.78Å |
| 231 | V | 97.6 | Very high | 94.8 | Very high | 46 Ų | 46 | 97.3 Ų | 97.3 | 28% | 0.279 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | W227 F228 S233 Y234 V235 | W227-V231 HydrophobicContact CD2-CG2 3.88Å; W227-V231 HydrophobicContact CE3-CG2 4.1Å; W227-V231 HydrophobicContact CH2-CG2 3.95Å; W227-V231 HydrophobicContact CZ2-CG2 3.71Å; W227-V231 HydrophobicContact CZ3-CG2 4.14Å; W227-V231 WeakPolarHBondContact O-CG2 3.3Å; W227-V231 PolarHBondContact O-N 3.21Å; F228-V231 PolarHBondContact O-N 3.05Å; V231-S233 VanDerWaalsContact C-N 3.34Å; V231-S233 PolarHBondContact O-N 2.78Å; V231-Y234 PolarHBondContact O-N 2.73Å; V231-V235 HydrophobicContact CG1-CG2 4.4Å; V231-V235 WeakPolarHBondContact O-CG2 3.43Å; V231-V235 PolarHBondContact O-N 3.35Å |
| 232 | I | 96.8 | Very high | 95.1 | Very high | 104 Ų | 104 | 96.7 Ų | 96.7 | 53% | 0.533 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 177.5 | -68.7 | 165.5 | 0 | 0 | 0 | 109.9 | F228 A229 Y234 V235 V236 | F228-I232 WeakPolarHBondContact O-CB 3.16Å; F228-I232 WeakPolarHBondContact O-CD1 3.18Å; F228-I232 WeakPolarHBondContact O-CG1 3.37Å; F228-I232 PolarHBondContact O-N 3.18Å; A229-I232 PolarHBondContact O-N 3.04Å; I232-Y234 VanDerWaalsContact C-N 3.34Å; I232-Y234 PolarHBondContact O-N 2.73Å; I232-V235 PolarHBondContact O-N 3.12Å; I232-V236 HydrophobicContact CG2-CG2 4.31Å; I232-V236 WeakPolarHBondContact O-CB 3.46Å; I232-V236 VanDerWaalsContact O-CG2 3.28Å; I232-V236 WeakPolarHBondContact O-CG2 3.34Å; I232-V236 PolarHBondContact O-N 3.01Å |
| 233 | S | 96 | Very high | 95 | Very high | 80 Ų | 80 | 96.8 Ų | 96.8 | 56% | 0.559 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.2 | -43.1 | 175.1 | -67.6 | 0 | 0 | 0 | 0 | 112.2 | A229 M230 V231 Y237 | A229-S233 WeakPolarHBondContact O-CB 3.46Å; A229-S233 PolarHBondContact O-N 3.24Å; A229-S233 PolarHBondContact O-OG 2.91Å; M230-S233 PolarHBondContact O-N 2.04Å; V231-S233 VanDerWaalsContact C-N 3.34Å; V231-S233 PolarHBondContact O-N 2.78Å; S233-Y237 VanDerWaalsContact O-CB 3.25Å; S233-Y237 WeakPolarHBondContact O-CB 3.41Å; S233-Y237 PolarHBondContact O-N 3.46Å |
| 234 | Y | 97.1 | Very high | 94.9 | Very high | 143 Ų | 143 | 97.1 Ų | 97.1 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.2 | -45.1 | 176.7 | 178.3 | -98.1 | 0 | 0 | 0 | 112.5 | M230 V231 I232 Y237 Y238 | M230-Y234 WeakPolarHBondContact O-CB 3.3Å; M230-Y234 PolarHBondContact O-N 2.78Å; V231-Y234 PolarHBondContact O-N 2.73Å; I232-Y234 VanDerWaalsContact C-N 3.34Å; I232-Y234 PolarHBondContact O-N 2.73Å; Y234-Y237 WeakPolarHBondContact O-CB 3.36Å; Y234-Y237 PolarHBondContact O-N 3.17Å; Y234-Y238 WeakPolarHBondContact O-CB 3.27Å; Y234-Y238 PolarHBondContact O-N 2.92Å |
| 235 | V | 96.7 | Very high | 94.6 | Very high | 76 Ų | 76 | 95.7 Ų | 95.7 | 46% | 0.461 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 111 | V231 I232 Y237 Y238 V239 | V231-V235 HydrophobicContact CG1-CG2 4.4Å; V231-V235 WeakPolarHBondContact O-CG2 3.43Å; V231-V235 PolarHBondContact O-N 3.35Å; I232-V235 PolarHBondContact O-N 3.12Å; V235-Y237 VanDerWaalsContact C-N 3.33Å; V235-Y237 PolarHBondContact O-N 2.82Å; V235-Y238 PolarHBondContact O-N 3.37Å; V235-V239 HydrophobicContact CG1-CG2 4.35Å; V235-V239 WeakPolarHBondContact O-CG2 3.47Å; V235-V239 PolarHBondContact O-N 3.29Å |
| 236 | V | 96.2 | Very high | 94.1 | Very high | 79 Ų | 79 | 92.1 Ų | 92.1 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | I232 V239 R240 | I232-V236 HydrophobicContact CG2-CG2 4.31Å; I232-V236 WeakPolarHBondContact O-CB 3.46Å; I232-V236 VanDerWaalsContact O-CG2 3.28Å; I232-V236 WeakPolarHBondContact O-CG2 3.34Å; I232-V236 PolarHBondContact O-N 3.01Å; V236-V239 PolarHBondContact O-N 2.84Å; V236-R240 HydrophobicContact CG1-CG 4.28Å; V236-R240 WeakPolarHBondContact O-CB 3.48Å; V236-R240 WeakPolarHBondContact O-CG 3.28Å; V236-R240 PolarHBondContact O-N 2.79Å |
| 237 | Y | 96.6 | Very high | 93.8 | Very high | 145 Ų | 145 | 98.5 Ų | 98.5 | 57% | 0.569 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.2 | -50.2 | 174.5 | 171.6 | -97.2 | 0 | 0 | 0 | 111.5 | S233 Y234 V235 V239 R240 Q241 | S233-Y237 VanDerWaalsContact O-CB 3.25Å; S233-Y237 WeakPolarHBondContact O-CB 3.41Å; S233-Y237 PolarHBondContact O-N 3.46Å; Y234-Y237 WeakPolarHBondContact O-CB 3.36Å; Y234-Y237 PolarHBondContact O-N 3.17Å; V235-Y237 VanDerWaalsContact C-N 3.33Å; V235-Y237 PolarHBondContact O-N 2.82Å; Y237-V239 PolarHBondContact O-N 3.44Å; Y237-R240 PolarHBondContact O-N 3.5Å; Y237-Q241 VanDerWaalsContact O-CB 3.32Å; Y237-Q241 WeakPolarHBondContact O-CB 3.46Å; Y237-Q241 PolarHBondContact O-N 3.46Å |
| 238 | Y | 95.3 | Very high | 93.2 | Very high | 128 Ų | 128 | 97.9 Ų | 97.9 | 50% | 0.502 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | -179.1 | -175.9 | -100.8 | 0 | 0 | 0 | 112.8 | Y234 V235 N242 | Y234-Y238 WeakPolarHBondContact O-CB 3.27Å; Y234-Y238 PolarHBondContact O-N 2.92Å; V235-Y238 PolarHBondContact O-N 3.37Å; Y238-N242 WeakPolarHBondContact CD1-ND2 3.44Å; Y238-N242 WeakPolarHBondContact CE1-ND2 3.48Å; Y238-N242 WeakPolarHBondContact O-CB 3.25Å; Y238-N242 PolarHBondContact O-N 2.86Å; Y238-N242 PolarHBondContact O-ND2 2.8Å; Y238-N242 PolarHBondContact OH-ND2 2.86Å |
| 239 | V | 95.3 | Very high | 92.6 | Very high | 67 Ų | 67 | 99.8 Ų | 99.8 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 111 | V235 V236 Y237 Q241 N242 Q243 | V235-V239 HydrophobicContact CG1-CG2 4.35Å; V235-V239 WeakPolarHBondContact O-CG2 3.47Å; V235-V239 PolarHBondContact O-N 3.29Å; V236-V239 PolarHBondContact O-N 2.84Å; Y237-V239 PolarHBondContact O-N 3.44Å; V239-Q241 VanDerWaalsContact C-N 3.34Å; V239-Q241 PolarHBondContact O-N 3.29Å; V239-N242 PolarHBondContact O-N 3.42Å; V239-Q243 HydrophobicContact CG1-CG 4.42Å; V239-Q243 WeakPolarHBondContact O-CB 3.18Å; V239-Q243 WeakPolarHBondContact O-CG 3.18Å; V239-Q243 PolarHBondContact O-N 2.73Å |
| 240 | R | 92.7 | Very high | 92 | Very high | 157 Ų | 157 | 101.9 Ų | 101.9 | 59% | 0.592 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.6 | -46.9 | 176.7 | -73 | -72.8 | -171.5 | 146.1 | 1.5 | 111 | V236 Y237 N242 Q243 E244 | V236-R240 HydrophobicContact CG1-CG 4.28Å; V236-R240 WeakPolarHBondContact O-CB 3.48Å; V236-R240 WeakPolarHBondContact O-CG 3.28Å; V236-R240 PolarHBondContact O-N 2.79Å; Y237-R240 PolarHBondContact O-N 3.5Å; R240-N242 PolarHBondContact O-N 2.83Å; R240-Q243 PolarHBondContact O-N 3.44Å; R240-E244 WeakPolarHBondContact O-CG 3.4Å; R240-E244 PolarHBondContact O-N 2.8Å |
| 241 | Q | 92.9 | Very high | 91.3 | Very high | 62 Ų | 62 | 102.2 Ų | 102.2 | 29% | 0.29 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.5 | -50.6 | 177 | -174.1 | 66.7 | 25.8 | 0 | 0 | 111.6 | Y237 V239 Q243 E244 D245 | Y237-Q241 VanDerWaalsContact O-CB 3.32Å; Y237-Q241 WeakPolarHBondContact O-CB 3.46Å; Y237-Q241 PolarHBondContact O-N 3.46Å; V239-Q241 VanDerWaalsContact C-N 3.34Å; V239-Q241 PolarHBondContact O-N 3.29Å; Q241-Q243 VanDerWaalsContact C-N 3.33Å; Q241-Q243 PolarHBondContact O-N 2.86Å; Q241-E244 PolarHBondContact O-N 3.49Å; Q241-D245 PolarHBondContact O-N 3.27Å |
| 242 | N | 90.9 | Very high | 90.5 | Very high | 69 Ų | 69 | 107.5 Ų | 107.5 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -34.8 | 179 | -80.9 | -31.3 | 0 | 0 | 0 | 113.1 | Y238 V239 R240 A246 | Y238-N242 WeakPolarHBondContact CD1-ND2 3.44Å; Y238-N242 WeakPolarHBondContact CE1-ND2 3.48Å; Y238-N242 WeakPolarHBondContact O-CB 3.25Å; Y238-N242 PolarHBondContact O-N 2.86Å; Y238-N242 PolarHBondContact O-ND2 2.8Å; Y238-N242 PolarHBondContact OH-ND2 2.86Å; V239-N242 PolarHBondContact O-N 3.42Å; R240-N242 PolarHBondContact O-N 2.83Å; N242-A246 WeakPolarHBondContact O-CB 3.22Å; N242-A246 PolarHBondContact O-N 2.93Å |
| 243 | Q | 90.6 | Very high | 89.6 | Confident | 107 Ų | 107 | 108 Ų | 108 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 174.5 | -76.7 | -175.7 | -14.5 | 0 | 0 | 112 | V239 R240 Q241 R247 | V239-Q243 HydrophobicContact CG1-CG 4.42Å; V239-Q243 WeakPolarHBondContact O-CB 3.18Å; V239-Q243 WeakPolarHBondContact O-CG 3.18Å; V239-Q243 PolarHBondContact O-N 2.73Å; R240-Q243 PolarHBondContact O-N 3.44Å; Q241-Q243 VanDerWaalsContact C-N 3.33Å; Q241-Q243 PolarHBondContact O-N 2.86Å; Q243-R247 WeakPolarHBondContact O-CG 3.33Å; Q243-R247 PolarHBondContact O-N 3.42Å |
| 244 | E | 89.2 | Confident | 88.8 | Confident | 101 Ų | 101 | 111.7 Ų | 111.7 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 175.8 | -73.1 | 176.3 | -168 | 0 | 0 | 112 | R240 Q241 R247 R248 | R240-E244 WeakPolarHBondContact O-CG 3.4Å; R240-E244 PolarHBondContact O-N 2.8Å; Q241-E244 PolarHBondContact O-N 3.49Å; E244-R247 PolarHBondContact O-N 3.45Å; E244-R248 WeakPolarHBondContact O-CG 3.36Å; E244-R248 PolarHBondContact O-N 2.86Å; E244-R248 VanDerWaalsContact O-N 3.1Å |
| 245 | D | 85.1 | Confident | 87.9 | Confident | 49 Ų | 49 | 109 Ų | 109 | 26% | 0.262 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 174.2 | -75.1 | -31.1 | 0 | 0 | 0 | 111.2 | Q241 R247 R248 H249 | Q241-D245 PolarHBondContact O-N 3.27Å; D245-R247 VanDerWaalsContact C-N 3.35Å; D245-R247 PolarHBondContact O-N 2.9Å; D245-R248 PolarHBondContact O-N 3.5Å; D245-R248 IonicContact OD1-CZ 3.23Å; D245-R248 VanDerWaalsContact OD1-CZ 3.23Å; D245-R248 IonicContact OD1-NE 3.84Å; D245-R248 IonicContact OD1-NH1 3.83Å; D245-R248 IonicContact OD1-NH2 2.6Å; D245-R248 PolarHBondContact OD1-NH2 2.99Å; D245-H249 PolarHBondContact O-CD2 3.31Å; D245-H249 PolarHBondContact O-N 3.47Å |
| 246 | A | 85.6 | Confident | 87.1 | Confident | 61 Ų | 61 | 109.7 Ų | 109.7 | 50% | 0.504 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | N242 H249 L250 | N242-A246 WeakPolarHBondContact O-CB 3.22Å; N242-A246 PolarHBondContact O-N 2.93Å; A246-H249 PolarHBondContact O-N 3.17Å; A246-L250 PolarHBondContact O-N 3.44Å; A246-L250 VanDerWaalsContact O-N 3.09Å |
| 247 | R | 88.1 | Confident | 85.8 | Confident | 177 Ų | 177 | 111.9 Ų | 111.9 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61 | -46.7 | 174.3 | -84.4 | -176.4 | -177.8 | 168.6 | 1.6 | 111.8 | Q243 E244 D245 H249 L250 E251 | Q243-R247 WeakPolarHBondContact O-CG 3.33Å; Q243-R247 PolarHBondContact O-N 3.42Å; E244-R247 PolarHBondContact O-N 3.45Å; D245-R247 VanDerWaalsContact C-N 3.35Å; D245-R247 PolarHBondContact O-N 2.9Å; R247-H249 VanDerWaalsContact C-N 3.32Å; R247-H249 PolarHBondContact O-N 3.49Å; R247-L250 PolarHBondContact O-N 2.93Å; R247-E251 PolarHBondContact O-N 3.21Å |
| 248 | R | 83.9 | Confident | 84.3 | Confident | 142 Ų | 142 | 110.4 Ų | 110.4 | 54% | 0.536 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 177.9 | -77.2 | -172.4 | -84.1 | 156.8 | -11 | 112.1 | E244 D245 L250 E251 Y252 | E244-R248 WeakPolarHBondContact O-CG 3.36Å; E244-R248 PolarHBondContact O-N 2.86Å; E244-R248 VanDerWaalsContact O-N 3.1Å; D245-R248 PolarHBondContact O-N 3.5Å; D245-R248 IonicContact OD1-CZ 3.23Å; D245-R248 VanDerWaalsContact OD1-CZ 3.23Å; D245-R248 IonicContact OD1-NE 3.84Å; D245-R248 IonicContact OD1-NH1 3.83Å; D245-R248 IonicContact OD1-NH2 2.6Å; D245-R248 PolarHBondContact OD1-NH2 2.99Å; R248-L250 PolarHBondContact O-N 3.22Å; R248-E251 PolarHBondContact O-N 3.36Å; R248-Y252 PolarHBondContact O-N 3.37Å |
| 249 | H | 84.6 | Confident | 82.5 | Confident | 128 Ų | 128 | 113.6 Ų | 113.6 | 59% | 0.593 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64 | -39.1 | 176.2 | -75.2 | -67.8 | 0 | 0 | 0 | 113.1 | D245 A246 R247 Y252 L253 | D245-H249 PolarHBondContact O-CD2 3.31Å; D245-H249 PolarHBondContact O-N 3.47Å; A246-H249 PolarHBondContact O-N 3.17Å; R247-H249 VanDerWaalsContact C-N 3.32Å; R247-H249 PolarHBondContact O-N 3.49Å; H249-Y252 WeakPolarHBondContact O-CB 3.29Å; H249-Y252 PolarHBondContact O-N 2.89Å; H249-L253 WeakPolarHBondContact O-CG 3.47Å; H249-L253 PolarHBondContact O-N 3.47Å |
| 250 | L | 83.3 | Confident | 80.4 | Confident | 95 Ų | 95 | 116.1 Ų | 116.1 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.2 | -40.8 | 177.5 | -162.4 | 97.6 | 0 | 0 | 0 | 111.9 | A246 R247 R248 L253 K254 | A246-L250 PolarHBondContact O-N 3.44Å; A246-L250 VanDerWaalsContact O-N 3.09Å; R247-L250 PolarHBondContact O-N 2.93Å; R248-L250 PolarHBondContact O-N 3.22Å; L250-L253 PolarHBondContact O-N 2.95Å; L250-K254 WeakPolarHBondContact O-CG 3.34Å; L250-K254 PolarHBondContact O-N 2.98Å |
| 251 | E | 83.2 | Confident | 78.7 | Confident | 131 Ų | 131 | 115.2 Ų | 115.2 | 61% | 0.612 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.9 | -40.9 | 175.7 | -72.8 | 176.6 | -178.9 | 0 | 0 | 111.8 | R247 R248 L253 K254 S255 | R247-E251 PolarHBondContact O-N 3.21Å; R248-E251 PolarHBondContact O-N 3.36Å; E251-L253 PolarHBondContact O-N 3.41Å; E251-K254 PolarHBondContact O-N 3.48Å; E251-S255 PolarHBondContact O-N 2.96Å; E251-S255 VanDerWaalsContact O-N 3.07Å |
| 252 | Y | 79.7 | Confident | 76.4 | Confident | 156 Ų | 156 | 121.3 Ų | 121.3 | 61% | 0.612 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58.2 | -47.4 | 172.2 | -177.9 | -93.4 | 0 | 0 | 0 | 111.6 | R248 H249 K254 S255 L256 | R248-Y252 PolarHBondContact O-N 3.37Å; H249-Y252 WeakPolarHBondContact O-CB 3.29Å; H249-Y252 PolarHBondContact O-N 2.89Å; Y252-K254 VanDerWaalsContact C-N 3.32Å; Y252-K254 PolarHBondContact O-N 3.17Å; Y252-S255 PolarHBondContact O-N 2.89Å; Y252-S255 VanDerWaalsContact O-N 3.12Å; Y252-S255 PolarHBondContact O-OG 2.71Å; Y252-L256 HydrophobicContact CE1-CD1 4.44Å |
| 253 | L | 78.6 | Confident | 74.4 | Confident | 114 Ų | 114 | 123.6 Ų | 123.6 | 60% | 0.597 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.1 | -37.2 | 178.1 | -71.6 | 172.5 | 0 | 0 | 0 | 112.9 | H249 L250 E251 S255 L256 | H249-L253 WeakPolarHBondContact O-CG 3.47Å; H249-L253 PolarHBondContact O-N 3.47Å; L250-L253 PolarHBondContact O-N 2.95Å; E251-L253 PolarHBondContact O-N 3.41Å; L253-S255 VanDerWaalsContact C-N 3.29Å; L253-S255 PolarHBondContact O-N 2.97Å; L253-L256 HydrophobicContact CD2-CD1 3.94Å; L253-L256 WeakPolarHBondContact O-CB 3.17Å; L253-L256 PolarHBondContact O-N 3.03Å |
| 254 | K | 78.9 | Confident | 72.5 | Confident | 159 Ų | 159 | 125.9 Ų | 125.9 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.5 | -27.1 | 175.6 | -74.6 | 177.9 | 180 | 178.8 | 0 | 113.4 | L250 E251 Y252 L256 | L250-K254 WeakPolarHBondContact O-CG 3.34Å; L250-K254 PolarHBondContact O-N 2.98Å; E251-K254 PolarHBondContact O-N 3.48Å; Y252-K254 VanDerWaalsContact C-N 3.32Å; Y252-K254 PolarHBondContact O-N 3.17Å; K254-L256 VanDerWaalsContact C-N 3.25Å; K254-L256 PolarHBondContact O-N 3.27Å |
| 255 | S | 79.3 | Confident | 70.4 | Confident | 87 Ų | 87 | 130.2 Ų | 130.2 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.1 | -13.1 | 178 | 76.3 | 0 | 0 | 0 | 0 | 113.5 | E251 Y252 L253 | E251-S255 PolarHBondContact O-N 2.96Å; E251-S255 VanDerWaalsContact O-N 3.07Å; Y252-S255 PolarHBondContact O-N 2.89Å; Y252-S255 VanDerWaalsContact O-N 3.12Å; Y252-S255 PolarHBondContact O-OG 2.71Å; L253-S255 VanDerWaalsContact C-N 3.29Å; L253-S255 PolarHBondContact O-N 2.97Å |
| 256 | L | 78.8 | Confident | 68.9 | Low | 90 Ų | 90 | 134.1 Ų | 134.1 | 47% | 0.471 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -71.6 | 135.8 | 177 | -68.5 | 163.6 | 0 | 0 | 0 | 110.4 | Y252 L253 K254 S258 | Y252-L256 HydrophobicContact CE1-CD1 4.44Å; L253-L256 HydrophobicContact CD2-CD1 3.94Å; L253-L256 WeakPolarHBondContact O-CB 3.17Å; L253-L256 PolarHBondContact O-N 3.03Å; K254-L256 VanDerWaalsContact C-N 3.25Å; K254-L256 PolarHBondContact O-N 3.27Å; L256-S258 PolarHBondContact O-N 3.13Å |
| 257 | P | 70 | Confident | 67 | Low | 125 Ų | 125 | 140.1 Ų | 140.1 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 121.9 | -178.2 | 24.7 | -32.3 | 0 | 0 | 0 | 111.3 | ||
| 258 | S | 64.9 | Low | 65 | Low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 131.4 | 174.3 | 59 | 0 | 0 | 0 | 0 | 111.2 | L256 | L256-S258 PolarHBondContact O-N 3.13Š|
| 259 | K | 57.5 | Low | 63.7 | Low | 195 Ų | 195 | 139.3 Ų | 139.3 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 136.8 | 171.4 | -99.5 | 179.3 | 175.5 | 176.7 | 0 | 110.5 | V261 | K259-V261 PolarHBondContact O-N 3.45Š|
| 260 | P | 51.5 | Low | 61.8 | Low | 120 Ų | 120 | 138.3 Ų | 138.3 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 129.1 | 177.1 | 27.8 | -33.6 | 0 | 0 | 0 | 110.7 | K262 | P260-K262 PolarHBondContact O-N 3.37Š|
| 261 | V | 56.6 | Low | 60.6 | Low | 139 Ų | 139 | 139.6 Ų | 139.6 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 122.7 | 171 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | K259 | K259-V261 PolarHBondContact O-N 3.45Š|
| 262 | K | 43.5 | Very low | 58.8 | Low | 190 Ų | 190 | 139.1 Ų | 139.1 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 130.3 | 172.8 | -75.6 | -179.4 | 176.8 | -179.8 | 0 | 109.2 | P260 N264 | P260-K262 PolarHBondContact O-N 3.37Å; K262-N264 PolarHBondContact O-N 3.4Å |
| 263 | P | 49.3 | Very low | 57.1 | Low | 116 Ų | 116 | 141.9 Ų | 141.9 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -79 | 104.6 | 171.3 | 30.5 | -27.8 | 0 | 0 | 0 | 108 | ||
| 264 | N | 50.4 | Low | 56 | Low | 156 Ų | 156 | 143.3 Ų | 143.3 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | 154.6 | 86 | 149.9 | -76.7 | -12.9 | 0 | 0 | 0 | 109.1 | K262 | K262-N264 PolarHBondContact O-N 3.4Š| ||
| 265 | E | 45.3 | Very low | 54.8 | Low | 191 Ų | 191 | 142.4 Ų | 142.4 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -152.8 | 110.8 | 149.3 | -117.2 | 164.9 | -176.5 | 0 | 0 | 107 | ||||
| 266 | V | 54.8 | Low | 53.5 | Low | 131 Ų | 131 | 145.5 Ų | 145.5 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -78.4 | 122.9 | 172.3 | 174.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 267 | E | 45.4 | Very low | 52 | Low | 188 Ų | 188 | 148.8 Ų | 148.8 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | trans | -135.8 | 96.1 | 156.9 | -77.3 | -163.5 | 162.6 | 0 | 0 | 109.9 | ||||
| 268 | D | 45.3 | Very low | 50.9 | Low | 146 Ų | 146 | 150.3 Ų | 150.3 | 78% | 0.781 | 83% | 0.834 | S | S | * | * | trans | 36.1 | 120.5 | 133.9 | -67.2 | -21.6 | 0 | 0 | 0 | 121.1 | ||||
| 269 | I | 56.1 | Low | 49.9 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 80% | 0.795 | 84% | 0.837 | S | S | * | * | trans | -52 | 128.9 | 154.7 | -65.2 | 158.2 | 0 | 0 | 0 | 109.8 | T271 | I269-T271 HydrophobicContact CG2-CG2 4.3Š| ||
| 270 | S | 45.8 | Very low | 49.4 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 84% | 0.836 | S | S | * | * | trans | -131.1 | 97.4 | 150.2 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 271 | T | 57.7 | Low | 49.2 | Very low | 123 Ų | 123 | 152 Ų | 152 | 76% | 0.755 | 84% | 0.84 | S | S | * | * | trans | -73.6 | 122.5 | 154 | 44.8 | 0 | 0 | 0 | 0 | 108.7 | I269 | I269-T271 HydrophobicContact CG2-CG2 4.3Š| ||
| 272 | V | 45.8 | Very low | 48.6 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 73% | 0.733 | 84% | 0.84 | S | S | * | * | trans | -146.3 | 110.8 | 156 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 273 | V | 43.7 | Very low | 49.1 | Very low | 213 Ų | 213 | 149.7 Ų | 149.7 | 100% | 1.291 | 84% | 0.841 | S | S | * | * | trans | 54.6 | 0 | 148.4 | -170.8 | 0 | 0 | 0 | 0 | 119.3 |
Retrieved 273 of 273 residues in 629.4 ms
(Link to these results)