| 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 | 52.9 | Low | 64.6 | Low | 205 Ų | 205 | 125.5 Ų | 125.5 | 100% | 1.01 | 61% | 0.605 | S | S | * | * | 0 | -45.7 | 0 | -159.3 | 165.1 | 169.1 | 0 | 0 | 111.3 | H3 K4 | M1-H3 PolarHBondContact O-N 3.17Å; M1-K4 PolarHBondContact O-N 3.46Å; M1-K4 VanDerWaalsContact O-N 3.1Å | |||
| 2 | F | 49.2 | Very low | 65.4 | Low | 172 Ų | 172 | 128.1 Ų | 128.1 | 75% | 0.754 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -49.6 | -44.3 | 178.6 | -76.6 | -81.5 | 0 | 0 | 0 | 116.3 | K4 L5 N6 | F2-K4 VanDerWaalsContact C-N 3.26Å; F2-K4 PolarHBondContact O-N 2.72Å; F2-L5 PolarHBondContact O-N 3.32Å; F2-L5 VanDerWaalsContact O-N 3.1Å; F2-N6 PolarHBondContact O-N 3.19Å; F2-N6 VanDerWaalsContact O-N 3.13Å |
| 3 | H | 54.4 | Low | 66.1 | Low | 158 Ų | 158 | 129.5 Ų | 129.5 | 73% | 0.731 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58.9 | -33.5 | 178.2 | -99.3 | -65.5 | 0 | 0 | 0 | 114.2 | M1 W7 | M1-H3 PolarHBondContact O-N 3.17Å; H3-W7 PolarHBondContact O-N 3.36Å |
| 4 | K | 60 | Low | 66.8 | Low | 150 Ų | 150 | 127.9 Ų | 127.9 | 65% | 0.652 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -75.1 | -32.2 | 178.2 | -76.3 | -172.6 | 175.2 | -174.9 | 0 | 112.2 | M1 F2 I8 | M1-K4 PolarHBondContact O-N 3.46Å; M1-K4 VanDerWaalsContact O-N 3.1Å; F2-K4 VanDerWaalsContact C-N 3.26Å; F2-K4 PolarHBondContact O-N 2.72Å; K4-I8 WeakPolarHBondContact O-CD1 3.42Å; K4-I8 VanDerWaalsContact O-CG1 3.32Å; K4-I8 WeakPolarHBondContact O-CG1 3.49Å; K4-I8 PolarHBondContact O-N 3.43Å |
| 5 | L | 65.4 | Low | 67.2 | Low | 97 Ų | 97 | 123.3 Ų | 123.3 | 51% | 0.508 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.6 | -43.5 | 178.4 | -167.1 | 70.6 | 0 | 0 | 0 | 110.7 | F2 W7 I8 I9 | F2-L5 PolarHBondContact O-N 3.32Å; F2-L5 VanDerWaalsContact O-N 3.1Å; L5-W7 VanDerWaalsContact C-N 3.31Å; L5-W7 PolarHBondContact O-N 3.04Å; L5-I8 PolarHBondContact O-N 3.31Å; L5-I8 VanDerWaalsContact O-N 3.14Å; L5-I9 HydrophobicContact CG-CD1 4.2Å; L5-I9 WeakPolarHBondContact O-CG1 3.49Å; L5-I9 PolarHBondContact O-N 3.39Å |
| 6 | N | 70.3 | Confident | 67.9 | Low | 103 Ų | 103 | 121.1 Ų | 121.1 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.6 | -39.8 | 175.6 | -80.8 | 8.8 | 0 | 0 | 0 | 112.4 | F2 I8 I9 S10 | F2-N6 PolarHBondContact O-N 3.19Å; F2-N6 VanDerWaalsContact O-N 3.13Å; N6-I8 VanDerWaalsContact C-N 3.33Å; N6-I8 PolarHBondContact O-N 2.89Å; N6-I9 PolarHBondContact O-N 3.35Å; N6-S10 PolarHBondContact O-N 3.1Å |
| 7 | W | 64.8 | Low | 68.4 | Low | 181 Ų | 181 | 119.9 Ų | 119.9 | 69% | 0.686 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.4 | -40.4 | 175.1 | -96.8 | 81.7 | 0 | 0 | 0 | 112.7 | H3 L5 I11 | H3-W7 PolarHBondContact O-N 3.36Å; L5-W7 VanDerWaalsContact C-N 3.31Å; L5-W7 PolarHBondContact O-N 3.04Å; W7-I11 HydrophobicContact CE3-CD1 4.28Å; W7-I11 WeakPolarHBondContact O-CD1 3.38Å; W7-I11 VanDerWaalsContact O-CG1 3.29Å; W7-I11 WeakPolarHBondContact O-CG1 3.47Å; W7-I11 PolarHBondContact O-N 2.95Å; W7-I11 VanDerWaalsContact O-N 3.12Å |
| 8 | I | 70.6 | Confident | 68.7 | Low | 60 Ų | 60 | 118.7 Ų | 118.7 | 31% | 0.308 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.5 | -43.3 | 177.9 | -67.3 | 164.5 | 0 | 0 | 0 | 110.7 | K4 L5 N6 I11 W12 F401 | K4-I8 WeakPolarHBondContact O-CD1 3.42Å; K4-I8 VanDerWaalsContact O-CG1 3.32Å; K4-I8 WeakPolarHBondContact O-CG1 3.49Å; K4-I8 PolarHBondContact O-N 3.43Å; L5-I8 PolarHBondContact O-N 3.31Å; L5-I8 VanDerWaalsContact O-N 3.14Å; N6-I8 VanDerWaalsContact C-N 3.33Å; N6-I8 PolarHBondContact O-N 2.89Å; I8-I11 PolarHBondContact O-N 3.3Å; I8-W12 PolarHBondContact O-N 2.91Å; I8-W12 VanDerWaalsContact O-N 3.09Å; I8-F401 HydrophobicContact CG1-CE1 4.26Å |
| 9 | I | 74 | Confident | 68.9 | Low | 93 Ų | 93 | 118.6 Ų | 118.6 | 48% | 0.477 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.2 | -43.4 | 178.4 | -65.3 | 167.7 | 0 | 0 | 0 | 110.8 | L5 N6 I11 W12 F13 | L5-I9 HydrophobicContact CG-CD1 4.2Å; L5-I9 WeakPolarHBondContact O-CG1 3.49Å; L5-I9 PolarHBondContact O-N 3.39Å; N6-I9 PolarHBondContact O-N 3.35Å; I9-I11 PolarHBondContact O-N 3.38Å; I9-W12 PolarHBondContact O-N 2.97Å; I9-F13 PolarHBondContact O-N 3.49Å |
| 10 | S | 72.2 | Confident | 69.2 | Low | 82 Ų | 82 | 118.3 Ų | 118.3 | 57% | 0.573 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61 | -41.4 | 176.3 | -93.1 | 0 | 0 | 0 | 0 | 112.9 | N6 W12 F13 L14 | N6-S10 PolarHBondContact O-N 3.1Å; S10-W12 VanDerWaalsContact C-N 3.33Å; S10-F13 PolarHBondContact O-N 3.47Å; S10-L14 WeakPolarHBondContact O-CB 3.33Å; S10-L14 PolarHBondContact O-N 2.83Å |
| 11 | I | 76.7 | Confident | 69.4 | Low | 80 Ų | 80 | 116.1 Ų | 116.1 | 41% | 0.41 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.1 | -41.3 | 177.7 | -69.8 | 165.6 | 0 | 0 | 0 | 110.6 | W7 I8 I9 L14 S15 F401 | W7-I11 HydrophobicContact CE3-CD1 4.28Å; W7-I11 WeakPolarHBondContact O-CD1 3.38Å; W7-I11 VanDerWaalsContact O-CG1 3.29Å; W7-I11 WeakPolarHBondContact O-CG1 3.47Å; W7-I11 PolarHBondContact O-N 2.95Å; W7-I11 VanDerWaalsContact O-N 3.12Å; I8-I11 PolarHBondContact O-N 3.3Å; I9-I11 PolarHBondContact O-N 3.38Å; I11-L14 PolarHBondContact O-N 3.13Å; I11-S15 PolarHBondContact O-N 3.2Å; I11-S15 PolarHBondContact O-OG 3.1Å; I11-F401 HydrophobicContact CD1-CE2 4.46Å; I11-F401 HydrophobicContact CD1-CZ 4.31Å |
| 12 | W | 73.7 | Confident | 70 | Confident | 156 Ų | 156 | 108.9 Ų | 108.9 | 59% | 0.591 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.8 | -39.4 | 175.4 | -96.9 | 88.2 | 0 | 0 | 0 | 113.2 | I8 I9 S10 S15 I16 | I8-W12 PolarHBondContact O-N 2.91Å; I8-W12 VanDerWaalsContact O-N 3.09Å; I9-W12 PolarHBondContact O-N 2.97Å; S10-W12 VanDerWaalsContact C-N 3.33Å; W12-S15 PolarHBondContact O-N 2.81Å; W12-S15 PolarHBondContact O-OG 3.42Å; W12-I16 HydrophobicContact CE3-CD1 4.34Å; W12-I16 WeakPolarHBondContact O-CG1 3.48Å; W12-I16 PolarHBondContact O-N 3.06Å; W12-I16 VanDerWaalsContact O-N 3.13Å |
| 13 | F | 75.5 | Confident | 70.9 | Confident | 146 Ų | 146 | 104.5 Ų | 104.5 | 64% | 0.64 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.5 | -41 | 178.1 | -150.5 | -86.8 | 0 | 0 | 0 | 111.3 | I9 S10 S15 I16 L17 | I9-F13 PolarHBondContact O-N 3.49Å; S10-F13 PolarHBondContact O-N 3.47Å; F13-S15 PolarHBondContact O-N 3.34Å; F13-I16 PolarHBondContact O-N 3Å; F13-L17 WeakPolarHBondContact O-CB 3.32Å; F13-L17 PolarHBondContact O-N 3.49Å |
| 14 | L | 75.9 | Confident | 71.5 | Confident | 108 Ų | 108 | 102.4 Ų | 102.4 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -39.2 | 177.1 | -167 | 72.9 | 0 | 0 | 0 | 111.8 | S10 I11 L17 L18 | S10-L14 WeakPolarHBondContact O-CB 3.33Å; S10-L14 PolarHBondContact O-N 2.83Å; I11-L14 PolarHBondContact O-N 3.13Å; L14-L17 PolarHBondContact O-N 3.34Å; L14-L18 HydrophobicContact CG-CD1 4.3Å; L14-L18 WeakPolarHBondContact O-CB 3.45Å; L14-L18 PolarHBondContact O-N 3.1Å |
| 15 | S | 72.4 | Confident | 71.6 | Confident | 59 Ų | 59 | 99.4 Ų | 99.4 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 177.7 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | I11 W12 F13 L18 L19 | I11-S15 PolarHBondContact O-N 3.2Å; I11-S15 PolarHBondContact O-OG 3.1Å; W12-S15 PolarHBondContact O-N 2.81Å; W12-S15 PolarHBondContact O-OG 3.42Å; F13-S15 PolarHBondContact O-N 3.34Å; S15-L18 PolarHBondContact O-N 2.98Å; S15-L19 WeakPolarHBondContact O-CB 3.34Å; S15-L19 PolarHBondContact O-N 2.84Å |
| 16 | I | 77.9 | Confident | 71.3 | Confident | 88 Ų | 88 | 96.7 Ų | 96.7 | 45% | 0.451 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 174 | -68.5 | 168.5 | 0 | 0 | 0 | 110.8 | W12 F13 L18 L19 L20 | W12-I16 HydrophobicContact CE3-CD1 4.34Å; W12-I16 WeakPolarHBondContact O-CG1 3.48Å; W12-I16 PolarHBondContact O-N 3.06Å; W12-I16 VanDerWaalsContact O-N 3.13Å; F13-I16 PolarHBondContact O-N 3Å; I16-L18 PolarHBondContact O-N 3.44Å; I16-L19 WeakPolarHBondContact O-CB 3.25Å; I16-L19 PolarHBondContact O-N 2.93Å; I16-L20 HydrophobicContact CG2-CD1 3.98Å; I16-L20 PolarHBondContact O-N 3.23Å |
| 17 | L | 76.1 | Confident | 70.7 | Confident | 101 Ų | 101 | 98.8 Ų | 98.8 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 179 | -158.8 | 87.3 | 0 | 0 | 0 | 111.7 | F13 L14 L19 L20 C21 | F13-L17 WeakPolarHBondContact O-CB 3.32Å; F13-L17 PolarHBondContact O-N 3.49Å; L14-L17 PolarHBondContact O-N 3.34Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.78Å; L17-L20 PolarHBondContact O-N 3.34Å; L17-C21 WeakPolarHBondContact O-CB 3.29Å; L17-C21 PolarHBondContact O-N 3.22Å |
| 18 | L | 73.8 | Confident | 70.2 | Confident | 98 Ų | 98 | 95.5 Ų | 95.5 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 174.6 | -110.3 | 129.8 | 0 | 0 | 0 | 112 | L14 S15 I16 N22 | L14-L18 HydrophobicContact CG-CD1 4.3Å; L14-L18 WeakPolarHBondContact O-CB 3.45Å; L14-L18 PolarHBondContact O-N 3.1Å; S15-L18 PolarHBondContact O-N 2.98Å; I16-L18 PolarHBondContact O-N 3.44Å; L18-N22 WeakPolarHBondContact O-CB 3.42Å; L18-N22 PolarHBondContact O-N 3.31Å; L18-N22 PolarHBondContact O-ND2 3.08Å |
| 19 | L | 73.9 | Confident | 69.3 | Low | 117 Ų | 117 | 96.9 Ų | 96.9 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | 177.6 | -157.1 | 105.9 | 0 | 0 | 0 | 111.6 | S15 I16 L17 N22 C23 | S15-L19 WeakPolarHBondContact O-CB 3.34Å; S15-L19 PolarHBondContact O-N 2.84Å; I16-L19 WeakPolarHBondContact O-CB 3.25Å; I16-L19 PolarHBondContact O-N 2.93Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.78Å; L19-N22 PolarHBondContact O-N 3.34Å; L19-C23 WeakPolarHBondContact O-CB 3.48Å; L19-C23 PolarHBondContact O-N 3.44Å |
| 20 | L | 74 | Confident | 68.1 | Low | 112 Ų | 112 | 95.2 Ų | 95.2 | 59% | 0.586 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | 176.9 | -77 | 166.6 | 0 | 0 | 0 | 112 | I16 L17 N22 C23 L24 | I16-L20 HydrophobicContact CG2-CD1 3.98Å; I16-L20 PolarHBondContact O-N 3.23Å; L17-L20 PolarHBondContact O-N 3.34Å; L20-N22 VanDerWaalsContact C-N 3.3Å; L20-N22 PolarHBondContact O-N 3.02Å; L20-C23 PolarHBondContact O-N 3.14Å; L20-L24 PolarHBondContact O-N 3.38Å |
| 21 | C | 72.6 | Confident | 66.7 | Low | 72 Ų | 72 | 94.8 Ų | 94.8 | 49% | 0.486 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 178.5 | -165.8 | 0 | 0 | 0 | 0 | 111.4 | L17 L24 L25 | L17-C21 WeakPolarHBondContact O-CB 3.29Å; L17-C21 PolarHBondContact O-N 3.22Å; C21-L24 PolarHBondContact O-N 3.41Å; C21-L25 PolarHBondContact O-N 3.37Å |
| 22 | N | 67.4 | Low | 65.1 | Low | 53 Ų | 53 | 96.1 Ų | 96.1 | 28% | 0.283 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 175.8 | -77.6 | -17.9 | 0 | 0 | 0 | 112.4 | L18 L19 L20 L24 L25 T26 | L18-N22 WeakPolarHBondContact O-CB 3.42Å; L18-N22 PolarHBondContact O-N 3.31Å; L18-N22 PolarHBondContact O-ND2 3.08Å; L19-N22 PolarHBondContact O-N 3.34Å; L20-N22 VanDerWaalsContact C-N 3.3Å; L20-N22 PolarHBondContact O-N 3.02Å; N22-L24 VanDerWaalsContact C-N 3.3Å; N22-L24 PolarHBondContact O-N 3.39Å; N22-L25 PolarHBondContact O-N 3.12Å; N22-T26 PolarHBondContact O-N 3.44Å; N22-T26 PolarHBondContact O-OG1 3.09Å |
| 23 | C | 67.4 | Low | 63.7 | Low | 81 Ų | 81 | 91.8 Ų | 91.8 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 176.2 | -164.6 | 0 | 0 | 0 | 0 | 111.4 | L19 L20 T26 Y27 | L19-C23 WeakPolarHBondContact O-CB 3.48Å; L19-C23 PolarHBondContact O-N 3.44Å; L20-C23 PolarHBondContact O-N 3.14Å; C23-T26 VanDerWaalsContact C-OG1 3.31Å; C23-T26 VanDerWaalsContact CA-OG1 3.29Å; C23-T26 WeakPolarHBondContact CA-OG1 3.47Å; C23-T26 PolarHBondContact O-N 2.8Å; C23-T26 PolarHBondContact O-OG1 3.45Å; C23-Y27 WeakPolarHBondContact O-CB 3.1Å; C23-Y27 PolarHBondContact O-N 3Å |
| 24 | L | 67.2 | Low | 61.7 | Low | 114 Ų | 114 | 89.2 Ų | 89.2 | 60% | 0.597 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.8 | -44.3 | 175 | -162 | 79 | 0 | 0 | 0 | 112 | L20 C21 N22 Y27 Q28 | L20-L24 PolarHBondContact O-N 3.38Å; C21-L24 PolarHBondContact O-N 3.41Å; N22-L24 VanDerWaalsContact C-N 3.3Å; N22-L24 PolarHBondContact O-N 3.39Å; L24-Y27 PolarHBondContact O-N 3.49Å; L24-Q28 PolarHBondContact O-N 2.9Å; L24-Q28 VanDerWaalsContact O-N 3.09Å |
| 25 | L | 62.7 | Low | 59.7 | Low | 87 Ų | 87 | 86.4 Ų | 86.4 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 176.6 | -108.9 | 136.3 | 0 | 0 | 0 | 112.1 | C21 N22 Q28 L29 | C21-L25 PolarHBondContact O-N 3.37Å; N22-L25 PolarHBondContact O-N 3.12Å; L25-Q28 PolarHBondContact O-N 2.87Å; L25-L29 WeakPolarHBondContact O-CB 3.08Å; L25-L29 WeakPolarHBondContact O-CG 3.48Å; L25-L29 PolarHBondContact O-N 3.31Å |
| 26 | T | 57.8 | Low | 57.8 | Low | 39 Ų | 39 | 88.1 Ų | 88.1 | 24% | 0.239 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 175.3 | 42.5 | 0 | 0 | 0 | 0 | 112.6 | N22 C23 L29 I30 L386 | N22-T26 PolarHBondContact O-N 3.44Å; N22-T26 PolarHBondContact O-OG1 3.09Å; C23-T26 VanDerWaalsContact C-OG1 3.31Å; C23-T26 VanDerWaalsContact CA-OG1 3.29Å; C23-T26 WeakPolarHBondContact CA-OG1 3.47Å; C23-T26 PolarHBondContact O-N 2.8Å; C23-T26 PolarHBondContact O-OG1 3.45Å; T26-L29 PolarHBondContact O-N 3.13Å; T26-I30 WeakPolarHBondContact O-CB 3.39Å; T26-I30 WeakPolarHBondContact O-CD1 3.07Å; T26-I30 WeakPolarHBondContact O-CG1 2.93Å; T26-I30 PolarHBondContact O-N 3Å; T26-L386 HydrophobicContact CG2-CD2 3.11Å |
| 27 | Y | 58.9 | Low | 55.6 | Low | 147 Ų | 147 | 88 Ų | 88 | 58% | 0.576 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 177.8 | -173.6 | -99.8 | 0 | 0 | 0 | 110.9 | C23 L24 L29 I30 D31 | C23-Y27 WeakPolarHBondContact O-CB 3.1Å; C23-Y27 PolarHBondContact O-N 3Å; L24-Y27 PolarHBondContact O-N 3.49Å; Y27-L29 PolarHBondContact O-N 3.41Å; Y27-I30 PolarHBondContact O-N 3.49Å; Y27-D31 WeakPolarHBondContact CE1-OD2 3.45Å; Y27-D31 PolarHBondContact O-N 3.34Å |
| 28 | Q | 53.3 | Low | 53.8 | Low | 113 Ų | 113 | 85.5 Ų | 85.5 | 53% | 0.528 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 174.8 | -73.2 | -175.3 | -27.8 | 0 | 0 | 113.2 | L24 L25 N32 | L24-Q28 PolarHBondContact O-N 2.9Å; L24-Q28 VanDerWaalsContact O-N 3.09Å; L25-Q28 PolarHBondContact O-N 2.87Å; Q28-N32 WeakPolarHBondContact O-CB 3.42Å; Q28-N32 VanDerWaalsContact O-CG 3.29Å; Q28-N32 PolarHBondContact O-N 3.26Å; Q28-N32 PolarHBondContact O-ND2 2.86Å |
| 29 | L | 51.8 | Low | 52 | Low | 88 Ų | 88 | 83.8 Ų | 83.8 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 175.9 | -82.2 | 162.7 | 0 | 0 | 0 | 111.8 | L25 T26 Y27 N32 I33 | L25-L29 WeakPolarHBondContact O-CB 3.08Å; L25-L29 WeakPolarHBondContact O-CG 3.48Å; L25-L29 PolarHBondContact O-N 3.31Å; T26-L29 PolarHBondContact O-N 3.13Å; Y27-L29 PolarHBondContact O-N 3.41Å; L29-N32 PolarHBondContact O-N 3.05Å; L29-I33 WeakPolarHBondContact O-CB 3.36Å; L29-I33 WeakPolarHBondContact O-CD1 3.34Å; L29-I33 WeakPolarHBondContact O-CG1 3.48Å; L29-I33 PolarHBondContact O-N 3.25Å |
| 30 | I | 49.2 | Very low | 50.2 | Low | 59 Ų | 59 | 83.5 Ų | 83.5 | 30% | 0.303 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.7 | -48.5 | 176.7 | -70.2 | 163.4 | 0 | 0 | 0 | 109.6 | T26 Y27 N32 I33 H34 | T26-I30 WeakPolarHBondContact O-CB 3.39Å; T26-I30 WeakPolarHBondContact O-CD1 3.07Å; T26-I30 WeakPolarHBondContact O-CG1 2.93Å; T26-I30 PolarHBondContact O-N 3Å; Y27-I30 PolarHBondContact O-N 3.49Å; I30-N32 VanDerWaalsContact C-N 3.3Å; I30-N32 PolarHBondContact O-N 2.99Å; I30-I33 PolarHBondContact O-N 3.37Å; I30-H34 VanDerWaalsContact O-CB 3.24Å; I30-H34 WeakPolarHBondContact O-CB 3.31Å; I30-H34 PolarHBondContact O-N 3.46Å |
| 31 | D | 43.4 | Very low | 48.3 | Very low | 73 Ų | 73 | 86 Ų | 86 | 39% | 0.39 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.2 | -43.7 | 177.7 | -78 | -12.2 | 0 | 0 | 0 | 111.2 | Y27 H34 F35 | Y27-D31 WeakPolarHBondContact CE1-OD2 3.45Å; Y27-D31 PolarHBondContact O-N 3.34Å; D31-H34 PolarHBondContact O-N 2.89Å; D31-F35 WeakPolarHBondContact O-CB 3.23Å; D31-F35 PolarHBondContact O-N 2.93Å |
| 32 | N | 43 | Very low | 46.7 | Very low | 108 Ų | 108 | 84.1 Ų | 84.1 | 58% | 0.578 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.6 | -43.2 | 176.7 | -77.5 | -15.3 | 0 | 0 | 0 | 112.8 | Q28 L29 I30 F35 T36 | Q28-N32 WeakPolarHBondContact O-CB 3.42Å; Q28-N32 VanDerWaalsContact O-CG 3.29Å; Q28-N32 PolarHBondContact O-N 3.26Å; Q28-N32 PolarHBondContact O-ND2 2.86Å; L29-N32 PolarHBondContact O-N 3.05Å; I30-N32 VanDerWaalsContact C-N 3.3Å; I30-N32 PolarHBondContact O-N 2.99Å; N32-F35 WeakPolarHBondContact O-CB 3.32Å; N32-F35 PolarHBondContact O-N 3.41Å; N32-T36 PolarHBondContact O-N 3.4Å; N32-T36 PolarHBondContact O-OG1 3.28Å |
| 33 | I | 43 | Very low | 45.2 | Very low | 64 Ų | 64 | 87.8 Ų | 87.8 | 33% | 0.328 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 177.7 | -71.5 | 164.8 | 0 | 0 | 0 | 110 | L29 I30 F35 T36 M37 | L29-I33 WeakPolarHBondContact O-CB 3.36Å; L29-I33 WeakPolarHBondContact O-CD1 3.34Å; L29-I33 WeakPolarHBondContact O-CG1 3.48Å; L29-I33 PolarHBondContact O-N 3.25Å; I30-I33 PolarHBondContact O-N 3.37Å; I33-F35 PolarHBondContact O-N 3.36Å; I33-T36 VanDerWaalsContact CA-OG1 3.29Å; I33-T36 WeakPolarHBondContact CA-OG1 3.49Å; I33-T36 PolarHBondContact O-N 3.4Å; I33-T36 PolarHBondContact O-OG1 3.21Å; I33-M37 HydrophobicContact CG2-CE 4.24Å; I33-M37 PolarHBondContact O-N 3Å |
| 34 | H | 34.7 | Very low | 44 | Very low | 92 Ų | 92 | 88.7 Ų | 88.7 | 43% | 0.426 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.1 | -36.2 | 177.3 | -149 | -39.5 | 0 | 0 | 0 | 110.3 | I30 D31 I38 | I30-H34 VanDerWaalsContact O-CB 3.24Å; I30-H34 WeakPolarHBondContact O-CB 3.31Å; I30-H34 PolarHBondContact O-N 3.46Å; D31-H34 PolarHBondContact O-N 2.89Å; H34-I38 WeakPolarHBondContact ND1-CD1 3.3Å; H34-I38 WeakPolarHBondContact O-CB 3.48Å; H34-I38 VanDerWaalsContact O-CD1 3.28Å; H34-I38 WeakPolarHBondContact O-CD1 3.42Å; H34-I38 WeakPolarHBondContact O-CG1 3.24Å; H34-I38 PolarHBondContact O-N 3.46Å; H34-I38 VanDerWaalsContact O-N 3.08Å |
| 35 | F | 33.3 | Very low | 42.6 | Very low | 50 Ų | 50 | 86.4 Ų | 86.4 | 22% | 0.219 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.4 | -45.9 | 174 | -137.2 | -96.7 | 0 | 0 | 0 | 112.9 | D31 N32 I33 M37 I38 H39 N72 N73 | D31-F35 WeakPolarHBondContact O-CB 3.23Å; D31-F35 PolarHBondContact O-N 2.93Å; N32-F35 WeakPolarHBondContact O-CB 3.32Å; N32-F35 PolarHBondContact O-N 3.41Å; I33-F35 PolarHBondContact O-N 3.36Å; F35-M37 PolarHBondContact O-N 3.4Å; F35-I38 PolarHBondContact O-N 2.92Å; F35-H39 AromaticContact CD1-CD2 3.66Å; F35-H39 AromaticContact CD1-NE2 3.52Å; F35-H39 AromaticContact CE1-CD2 3.73Å; F35-H39 AromaticContact CE1-CE1 3.82Å; F35-H39 AromaticContact CE1-NE2 3.07Å; F35-H39 WeakPolarHBondContact CE1-NE2 3.43Å; F35-H39 PolarHBondContact O-N 2.92Å; F35-N72 HydrophobicContact CE2-CB 4.37Å; F35-N73 HydrophobicContact CZ-CB 3.86Å; F35-N73 WeakPolarHBondContact CZ-ND2 3.46Å |
| 36 | T | 32.1 | Very low | 41.3 | Very low | 94 Ų | 94 | 90.1 Ų | 90.1 | 58% | 0.577 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.3 | -38.3 | 178 | 43.6 | 0 | 0 | 0 | 0 | 112.7 | N32 I33 E40 | N32-T36 PolarHBondContact O-N 3.4Å; N32-T36 PolarHBondContact O-OG1 3.28Å; I33-T36 VanDerWaalsContact CA-OG1 3.29Å; I33-T36 WeakPolarHBondContact CA-OG1 3.49Å; I33-T36 PolarHBondContact O-N 3.4Å; I33-T36 PolarHBondContact O-OG1 3.21Å; T36-E40 PolarHBondContact O-N 3.5Å |
| 37 | M | 32.4 | Very low | 40.8 | Very low | 86 Ų | 86 | 90 Ų | 90 | 42% | 0.424 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.7 | -35.5 | 175.2 | -79.1 | -166.5 | -172.7 | 0 | 0 | 112 | I33 F35 E40 | I33-M37 HydrophobicContact CG2-CE 4.24Å; I33-M37 PolarHBondContact O-N 3Å; F35-M37 PolarHBondContact O-N 3.4Å; M37-E40 WeakPolarHBondContact O-CB 3.36Å; M37-E40 WeakPolarHBondContact O-CG 3.48Å; M37-E40 PolarHBondContact O-N 3.47Å; M37-E40 VanDerWaalsContact O-N 3.14Å |
| 38 | I | 37.6 | Very low | 40.3 | Very low | 48 Ų | 48 | 87.2 Ų | 87.2 | 25% | 0.246 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -71.2 | -34.7 | 178.5 | -71.9 | 168.6 | 0 | 0 | 0 | 111.1 | H34 F35 E40 P68 | H34-I38 WeakPolarHBondContact ND1-CD1 3.3Å; H34-I38 WeakPolarHBondContact O-CB 3.48Å; H34-I38 VanDerWaalsContact O-CD1 3.28Å; H34-I38 WeakPolarHBondContact O-CD1 3.42Å; H34-I38 WeakPolarHBondContact O-CG1 3.24Å; H34-I38 PolarHBondContact O-N 3.46Å; H34-I38 VanDerWaalsContact O-N 3.08Å; F35-I38 PolarHBondContact O-N 2.92Å; I38-E40 PolarHBondContact O-N 3.46Å; I38-P68 WeakPolarHBondContact CG2-O 3.47Å |
| 39 | H | 35.5 | Very low | 40.4 | Very low | 63 Ų | 63 | 84.9 Ų | 84.9 | 29% | 0.292 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 6.5 | 171.5 | -74 | -24.8 | 0 | 0 | 0 | 113.9 | F35 K41 | F35-H39 AromaticContact CD1-CD2 3.66Å; F35-H39 AromaticContact CD1-NE2 3.52Å; F35-H39 AromaticContact CE1-CD2 3.73Å; F35-H39 AromaticContact CE1-CE1 3.82Å; F35-H39 AromaticContact CE1-NE2 3.07Å; F35-H39 WeakPolarHBondContact CE1-NE2 3.43Å; F35-H39 PolarHBondContact O-N 2.92Å; H39-K41 PolarHBondContact O-N 3.49Å |
| 40 | E | 36.3 | Very low | 40.7 | Very low | 110 Ų | 110 | 85.1 Ų | 85.1 | 51% | 0.514 | 44% | 0.441 | S | S | . | . | trans | -55.9 | 109.5 | 169.2 | -75.3 | 174.5 | -172 | 0 | 0 | 108.6 | T36 M37 I38 L42 | T36-E40 PolarHBondContact O-N 3.5Å; M37-E40 WeakPolarHBondContact O-CB 3.36Å; M37-E40 WeakPolarHBondContact O-CG 3.48Å; M37-E40 PolarHBondContact O-N 3.47Å; M37-E40 VanDerWaalsContact O-N 3.14Å; I38-E40 PolarHBondContact O-N 3.46Å; E40-L42 PolarHBondContact O-N 2.94Å | ||
| 41 | K | 35.6 | Very low | 41.3 | Very low | 166 Ų | 166 | 87.8 Ų | 87.8 | 72% | 0.722 | 45% | 0.451 | S | S | * | . | trans | -10.5 | 128.1 | 155.6 | -159.9 | 174.3 | -172.6 | 176.4 | 0 | 110.6 | H39 I43 | H39-K41 PolarHBondContact O-N 3.49Å; K41-I43 VanDerWaalsContact C-N 3.28Å; K41-I43 WeakPolarHBondContact O-CG1 3.33Å; K41-I43 PolarHBondContact O-N 3.03Å | ||
| 42 | L | 37.8 | Very low | 41.9 | Very low | 31 Ų | 31 | 86.8 Ų | 86.8 | 16% | 0.162 | 44% | 0.444 | C | S | . | . | trans | -51.1 | 94 | 172.6 | -93.3 | 142.6 | 0 | 0 | 0 | 109.8 | E40 F44 P68 Y196 L275 | E40-L42 PolarHBondContact O-N 2.94Å; L42-F44 HydrophobicContact CB-CE1 3.9Å; L42-F44 HydrophobicContact CB-CZ 3.98Å; L42-F44 HydrophobicContact CD2-CD1 4.46Å; L42-F44 HydrophobicContact CD2-CE1 3.88Å; L42-F44 HydrophobicContact CG-CE1 4.43Å; L42-P68 HydrophobicContact CD1-CG 4.47Å; L42-P68 HydrophobicContact CD2-CG 4.04Å; L42-P68 HydrophobicContact CG-CG 3.71Å; L42-Y196 HydrophobicContact CD1-CE1 4.49Å; L42-Y196 WeakPolarHBondContact CD1-OH 3.36Å; L42-L275 HydrophobicContact CD2-CD2 4.19Å | ||
| 43 | I | 36.6 | Very low | 42.3 | Very low | 131 Ų | 131 | 86.8 Ų | 86.8 | 67% | 0.672 | 44% | 0.444 | S | S | * | . | trans | -94.8 | 108.1 | 174.4 | -68.3 | 161.6 | 0 | 0 | 0 | 104.9 | K41 S45 | K41-I43 VanDerWaalsContact C-N 3.28Å; K41-I43 WeakPolarHBondContact O-CG1 3.33Å; K41-I43 PolarHBondContact O-N 3.03Å; I43-S45 PolarHBondContact O-N 3.41Å | ||
| 44 | F | 41.1 | Very low | 42.8 | Very low | 99 Ų | 99 | 84.7 Ų | 84.7 | 43% | 0.434 | 43% | 0.432 | S | S | . | . | trans | -74.1 | 111.9 | -173.5 | -56 | -62.5 | 0 | 0 | 0 | 110.7 | L42 K62 E277 | L42-F44 HydrophobicContact CB-CE1 3.9Å; L42-F44 HydrophobicContact CB-CZ 3.98Å; L42-F44 HydrophobicContact CD2-CD1 4.46Å; L42-F44 HydrophobicContact CD2-CE1 3.88Å; L42-F44 HydrophobicContact CG-CE1 4.43Å; F44-K62 VanDerWaalsContact CE1-NZ 3.25Å; F44-K62 VanDerWaalsContact CG-NZ 3.33Å; F44-E277 VanDerWaalsContact CE1-CD 3.43Å; F44-E277 WeakPolarHBondContact CE1-OE1 3.48Å; F44-E277 WeakPolarHBondContact CE1-OE2 3.39Å; F44-E277 WeakPolarHBondContact CZ-OE1 3.41Å; F44-E277 VanDerWaalsContact CZ-OE2 3.3Å; F44-E277 WeakPolarHBondContact CZ-OE2 3.43Å | ||
| 45 | S | 38.1 | Very low | 43.6 | Very low | 67 Ų | 67 | 88.7 Ų | 88.7 | 47% | 0.469 | 44% | 0.444 | S | S | . | . | trans | -73 | 152.8 | 164.7 | 61 | 0 | 0 | 0 | 0 | 110.5 | I43 Q47 | I43-S45 PolarHBondContact O-N 3.41Å; S45-Q47 PolarHBondContact O-N 2.91Å | ||
| 46 | N | 36.8 | Very low | 44.5 | Very low | 165 Ų | 165 | 89 Ų | 89 | 88% | 0.882 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -67.3 | 44.7 | -175.2 | -148.1 | 11.9 | 0 | 0 | 0 | 114.4 | ||
| 47 | Q | 46.7 | Very low | 45.8 | Very low | 37 Ų | 37 | 84.8 Ų | 84.8 | 17% | 0.173 | 42% | 0.418 | C | S | . | . | trans | -69.1 | 170.4 | 179.8 | -72.9 | -178.2 | -21.4 | 0 | 0 | 111 | S45 I49 | S45-Q47 PolarHBondContact O-N 2.91Å; Q47-I49 VanDerWaalsContact C-N 3.28Å; Q47-I49 VanDerWaalsContact O-CG1 3.29Å; Q47-I49 WeakPolarHBondContact O-CG1 3.42Å; Q47-I49 PolarHBondContact O-N 2.82Å | ||
| 48 | S | 48.5 | Very low | 47 | Very low | 88 Ų | 88 | 82.7 Ų | 82.7 | 62% | 0.615 | 41% | 0.408 | S | S | * | . | trans | -59.5 | 90.3 | 172 | 55.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 49 | I | 55.8 | Low | 48.2 | Very low | 64 Ų | 64 | 80.4 Ų | 80.4 | 33% | 0.328 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 123.2 | 179.5 | -66 | 156 | 0 | 0 | 0 | 107.1 | Q47 L60 K62 | Q47-I49 VanDerWaalsContact C-N 3.28Å; Q47-I49 VanDerWaalsContact O-CG1 3.29Å; Q47-I49 WeakPolarHBondContact O-CG1 3.42Å; Q47-I49 PolarHBondContact O-N 2.82Å; I49-L60 HydrophobicContact CG2-CD2 4Å; I49-K62 HydrophobicContact CG1-CD 4.15Å; I49-K62 HydrophobicContact CG1-CG 3.83Å |
| 50 | N | 56.7 | Low | 49.6 | Very low | 93 Ų | 93 | 79 Ų | 79 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 113.3 | 161.9 | -73.3 | -33.2 | 0 | 0 | 0 | 108 | F52 I61 | N50-F52 HydrophobicContact CB-CD2 4.46Å; N50-F52 HydrophobicContact CB-CE2 3.6Å; N50-F52 HydrophobicContact CB-CZ 4.06Å; N50-I61 PolarHBondContact N-O 2.77Å; N50-I61 PolarHBondContact O-N 2.91Å |
| 51 | Q | 61.6 | Low | 50.9 | Low | 114 Ų | 114 | 74 Ų | 74 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.8 | 174.8 | 177.3 | 174.6 | -6.5 | 0 | 0 | 110 | N53 I58 E59 L60 | Q51-N53 PolarHBondContact NE2-OD1 3.49Å; Q51-I58 HydrophobicContact CG-CG2 4Å; Q51-E59 WeakPolarHBondContact CA-O 3.41Å; Q51-L60 HydrophobicContact CB-CD2 3.65Å; Q51-L60 HydrophobicContact CG-CD2 3.62Å |
| 52 | F | 55.9 | Low | 52.4 | Low | 52 Ų | 52 | 66.3 Ų | 66.3 | 23% | 0.228 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 119 | 172.9 | -59.5 | -86.6 | 0 | 0 | 0 | 109.6 | N50 R54 E59 I61 | N50-F52 HydrophobicContact CB-CD2 4.46Å; N50-F52 HydrophobicContact CB-CE2 3.6Å; N50-F52 HydrophobicContact CB-CZ 4.06Å; F52-R54 PolarHBondContact O-N 3.47Å; F52-E59 HydrophobicContact CB-CB 4.33Å; F52-E59 PolarHBondContact N-O 3.35Å; F52-E59 PolarHBondContact O-N 3.45Å; F52-I61 HydrophobicContact CD2-CD1 3.93Å; F52-I61 HydrophobicContact CE2-CD1 3.67Å |
| 53 | N | 52.6 | Low | 53.9 | Low | 108 Ų | 108 | 68.5 Ų | 68.5 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 121.4 | 170 | -64.8 | -20.9 | 0 | 0 | 0 | 108.4 | Q51 | Q51-N53 PolarHBondContact NE2-OD1 3.49Å |
| 54 | R | 54.2 | Low | 55.1 | Low | 20 Ų | 20 | 68.1 Ų | 68.1 | 8% | 0.075 | 34% | 0.344 | C | S | . | . | trans | -104.5 | 163.6 | 173.6 | -49.6 | -69.7 | -169.8 | -159.7 | 1 | 108.5 | F52 Y56 Y57 E59 Y246 | F52-R54 PolarHBondContact O-N 3.47Å; R54-Y56 PolarHBondContact O-N 2.92Å; R54-Y57 CarbonylContact C-O 3.51Å; R54-Y57 VanDerWaalsContact CA-O 3.28Å; R54-Y57 WeakPolarHBondContact CA-O 3.11Å; R54-Y57 HydrophobicContact CB-CD1 3.78Å; R54-Y57 HydrophobicContact CB-CD2 4.12Å; R54-Y57 HydrophobicContact CB-CE1 3.66Å; R54-Y57 HydrophobicContact CB-CE2 4.08Å; R54-Y57 HydrophobicContact CB-CG 4.01Å; R54-Y57 WeakPolarHBondContact CB-O 3.42Å; R54-Y57 HydrophobicContact CG-CD1 4.24Å; R54-Y57 HydrophobicContact CG-CD2 3.82Å; R54-Y57 HydrophobicContact CG-CE1 3.85Å; R54-Y57 HydrophobicContact CG-CE2 3.45Å; R54-Y57 VanDerWaalsContact CG-CE2 3.45Å; R54-Y57 HydrophobicContact CG-CG 4.23Å; R54-Y57 VanDerWaalsContact CG-CZ 3.49Å; R54-Y57 PolarHBondContact N-O 2.94Å; R54-Y57 PolarHBondContact O-N 3.3Å; R54-E59 IonicContact CZ-OE2 3.27Å; R54-E59 VanDerWaalsContact CZ-OE2 3.27Å; R54-E59 IonicContact NE-OE2 3.03Å; R54-E59 PolarHBondContact NE-OE2 3.15Å; R54-E59 IonicContact NH2-OE2 2.72Å; R54-E59 PolarHBondContact NH2-OE2 3.43Å; R54-Y246 PolarHBondContact NH1-O 3.28Å | ||
| 55 | Y | 49.6 | Very low | 56.1 | Low | 177 Ų | 177 | 64 Ų | 64 | 69% | 0.694 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -57.2 | -34.8 | -177.1 | -170.9 | -88.9 | 0 | 0 | 0 | 112.8 | ||
| 56 | Y | 52.2 | Low | 57.1 | Low | 56 Ų | 56 | 67.9 Ų | 67.9 | 22% | 0.22 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -114.5 | -10.6 | -179.4 | -59.6 | -72.4 | 0 | 0 | 0 | 114.3 | R54 Y96 F250 L281 F283 | R54-Y56 PolarHBondContact O-N 2.92Å; Y56-Y96 WeakPolarHBondContact CB-OH 3.29Å; Y56-Y96 VanDerWaalsContact O-CE1 3.29Å; Y56-Y96 WeakPolarHBondContact O-CE1 3.23Å; Y56-F250 AromaticContact CD2-CD2 3.96Å; Y56-F250 HydrophobicContact CD2-CD2 3.96Å; Y56-F250 HydrophobicContact CD2-CE2 4.13Å; Y56-L281 WeakPolarHBondContact O-CB 3.43Å; Y56-L281 PolarHBondContact O-N 2.72Å; Y56-F283 HydrophobicContact CD1-CE1 4.19Å; Y56-F283 HydrophobicContact CD1-CZ 4Å; Y56-F283 HydrophobicContact CE1-CE1 4.18Å; Y56-F283 HydrophobicContact CE1-CZ 4.12Å |
| 57 | Y | 60.5 | Low | 58.3 | Low | 6 Ų | 6 | 61.2 Ų | 61.2 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 163.6 | -171.8 | 64.5 | -84.4 | 0 | 0 | 0 | 112.1 | R54 E59 F250 Y278 S279 | R54-Y57 CarbonylContact C-O 3.51Å; R54-Y57 VanDerWaalsContact CA-O 3.28Å; R54-Y57 WeakPolarHBondContact CA-O 3.11Å; R54-Y57 HydrophobicContact CB-CD1 3.78Å; R54-Y57 HydrophobicContact CB-CD2 4.12Å; R54-Y57 HydrophobicContact CB-CE1 3.66Å; R54-Y57 HydrophobicContact CB-CE2 4.08Å; R54-Y57 HydrophobicContact CB-CG 4.01Å; R54-Y57 WeakPolarHBondContact CB-O 3.42Å; R54-Y57 HydrophobicContact CG-CD1 4.24Å; R54-Y57 HydrophobicContact CG-CD2 3.82Å; R54-Y57 HydrophobicContact CG-CE1 3.85Å; R54-Y57 HydrophobicContact CG-CE2 3.45Å; R54-Y57 VanDerWaalsContact CG-CE2 3.45Å; R54-Y57 HydrophobicContact CG-CG 4.23Å; R54-Y57 VanDerWaalsContact CG-CZ 3.49Å; R54-Y57 PolarHBondContact N-O 2.94Å; R54-Y57 PolarHBondContact O-N 3.3Å; Y57-E59 HydrophobicContact CD2-CB 4.33Å; Y57-E59 HydrophobicContact CE2-CB 4.01Å; Y57-F250 AromaticContact CD1-CE2 3.51Å; Y57-F250 HydrophobicContact CD1-CE2 3.51Å; Y57-F250 AromaticContact CD1-CZ 3.58Å; Y57-F250 HydrophobicContact CD1-CZ 3.58Å; Y57-F250 HydrophobicContact CE1-CD2 4.25Å; Y57-F250 HydrophobicContact CE1-CE1 4.23Å; Y57-F250 AromaticContact CE1-CE2 3.2Å; Y57-F250 HydrophobicContact CE1-CE2 3.2Å; Y57-F250 AromaticContact CE1-CZ 3.17Å; Y57-F250 HydrophobicContact CE1-CZ 3.17Å; Y57-Y278 AromaticContact CD2-CD1 3.61Å; Y57-Y278 HydrophobicContact CD2-CD1 3.61Å; Y57-Y278 HydrophobicContact CD2-CE1 4.35Å; Y57-Y278 AromaticContact CE2-CD1 3.31Å; Y57-Y278 HydrophobicContact CE2-CD1 3.31Å; Y57-Y278 AromaticContact CE2-CE1 3.6Å; Y57-Y278 HydrophobicContact CE2-CE1 3.6Å; Y57-S279 CarbonylContact C-O 3.56Å; Y57-S279 VanDerWaalsContact CA-O 3.28Å; Y57-S279 WeakPolarHBondContact CA-O 3.29Å; Y57-S279 VanDerWaalsContact CB-O 3.3Å; Y57-S279 WeakPolarHBondContact CB-O 3.49Å |
| 58 | I | 56.9 | Low | 58.7 | Low | 41 Ų | 41 | 61.3 Ų | 61.3 | 21% | 0.21 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130.1 | 168.8 | -59.5 | 173.7 | 0 | 0 | 0 | 107.8 | Q51 L60 Y278 S279 L281 | Q51-I58 HydrophobicContact CG-CG2 4Å; I58-L60 HydrophobicContact CG2-CD2 4.09Å; I58-L60 HydrophobicContact CG2-CG 4.23Å; I58-Y278 WeakPolarHBondContact O-CA 3.45Å; I58-S279 PolarHBondContact N-O 2.84Å; I58-S279 PolarHBondContact O-N 2.89Å; I58-L281 HydrophobicContact CD1-CD2 3.74Å; I58-L281 HydrophobicContact CG1-CD2 3.71Å; I58-L281 HydrophobicContact CG1-CG 4.22Å |
| 59 | E | 62.4 | Low | 59.4 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.1 | 172.5 | -176.9 | 174.5 | -161.8 | 0 | 0 | 109.4 | Q51 F52 R54 Y57 I61 I276 E277 Y278 | Q51-E59 WeakPolarHBondContact CA-O 3.41Å; F52-E59 HydrophobicContact CB-CB 4.33Å; F52-E59 PolarHBondContact N-O 3.35Å; F52-E59 PolarHBondContact O-N 3.45Å; R54-E59 IonicContact CZ-OE2 3.27Å; R54-E59 VanDerWaalsContact CZ-OE2 3.27Å; R54-E59 IonicContact NE-OE2 3.03Å; R54-E59 PolarHBondContact NE-OE2 3.15Å; R54-E59 IonicContact NH2-OE2 2.72Å; R54-E59 PolarHBondContact NH2-OE2 3.43Å; Y57-E59 HydrophobicContact CD2-CB 4.33Å; Y57-E59 HydrophobicContact CE2-CB 4.01Å; E59-I61 HydrophobicContact CG-CD1 4.31Å; E59-I61 HydrophobicContact CG-CG1 4.19Å; E59-I276 HydrophobicContact CG-CG2 3.93Å; E59-E277 CarbonylContact C-O 3.6Å; E59-E277 VanDerWaalsContact CA-O 3.3Å; E59-E277 WeakPolarHBondContact CA-O 3.35Å; E59-Y278 HydrophobicContact CB-CD1 4.46Å; E59-Y278 HydrophobicContact CB-CE1 4.29Å; E59-Y278 HydrophobicContact CG-CD1 4.36Å; E59-Y278 HydrophobicContact CG-CE1 3.81Å; E59-Y278 PolarHBondContact OE1-OH 2.77Å |
| 60 | L | 65.4 | Low | 59.9 | Low | 34 Ų | 34 | 56 Ų | 56 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.3 | 173.7 | -58.4 | 173.2 | 0 | 0 | 0 | 108.6 | I49 Q51 I58 I276 E277 | I49-L60 HydrophobicContact CG2-CD2 4Å; Q51-L60 HydrophobicContact CB-CD2 3.65Å; Q51-L60 HydrophobicContact CG-CD2 3.62Å; I58-L60 HydrophobicContact CG2-CD2 4.09Å; I58-L60 HydrophobicContact CG2-CG 4.23Å; L60-I276 CarbonylContact O-C 3.55Å; L60-I276 WeakPolarHBondContact O-CA 3.34Å; L60-E277 HydrophobicContact CB-CB 4.25Å; L60-E277 PolarHBondContact N-O 3.34Å; L60-E277 PolarHBondContact O-N 2.93Å |
| 61 | I | 64 | Low | 60.6 | Low | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127 | 177.1 | -65.9 | 156.1 | 0 | 0 | 0 | 109 | N50 F52 E59 V269 T274 I276 | N50-I61 PolarHBondContact N-O 2.77Å; N50-I61 PolarHBondContact O-N 2.91Å; F52-I61 HydrophobicContact CD2-CD1 3.93Å; F52-I61 HydrophobicContact CE2-CD1 3.67Å; E59-I61 HydrophobicContact CG-CD1 4.31Å; E59-I61 HydrophobicContact CG-CG1 4.19Å; I61-V269 HydrophobicContact CD1-CG1 4Å; I61-V269 HydrophobicContact CG2-CB 4.37Å; I61-V269 HydrophobicContact CG2-CG1 4.02Å; I61-T274 HydrophobicContact CG2-CG2 4.32Å; I61-I276 HydrophobicContact CG1-CG1 4.37Å; I61-I276 HydrophobicContact CG1-CG2 4Å |
| 62 | K | 67.8 | Low | 60.7 | Low | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.2 | -179.4 | -64.4 | 174.4 | -174.5 | 154.5 | 0 | 109.5 | F44 I49 T274 L275 E277 | F44-K62 VanDerWaalsContact CE1-NZ 3.25Å; F44-K62 VanDerWaalsContact CG-NZ 3.33Å; I49-K62 HydrophobicContact CG1-CD 4.15Å; I49-K62 HydrophobicContact CG1-CG 3.83Å; K62-T274 WeakPolarHBondContact O-CA 3.45Å; K62-T274 WeakPolarHBondContact O-CG2 3.36Å; K62-L275 HydrophobicContact CB-CB 4.35Å; K62-L275 PolarHBondContact N-O 2.88Å; K62-L275 PolarHBondContact O-N 2.96Å; K62-L275 VanDerWaalsContact O-O 3.12Å; K62-E277 IonicContact NZ-OE2 2.71Å; K62-E277 PolarHBondContact NZ-OE2 2.82Å |
| 63 | I | 68 | Low | 61.3 | Low | 78 Ų | 78 | 56.2 Ų | 56.2 | 40% | 0.4 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -110.5 | 143.9 | -174 | -56.2 | 172.6 | 0 | 0 | 0 | 109.1 | Q65 | I63-Q65 PolarHBondContact O-N 2.94Š|
| 64 | N | 63.2 | Low | 62.7 | Low | 122 Ų | 122 | 51.6 Ų | 51.6 | 65% | 0.652 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 57.4 | 33.9 | -179.2 | -59.4 | -28.2 | 0 | 0 | 0 | 113.8 | G273 | N64-G273 CarbonylContact C-O 3.58Å; N64-G273 VanDerWaalsContact CA-O 3.26Å; N64-G273 WeakPolarHBondContact CA-O 3.34Å; N64-G273 PolarHBondContact N-O 2.97Å |
| 65 | Q | 62.3 | Low | 63.9 | Low | 14 Ų | 14 | 54.5 Ų | 54.5 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 144.3 | 178 | -163.4 | 174.1 | -12.9 | 0 | 0 | 110.5 | I63 Y204 G273 L275 | I63-Q65 PolarHBondContact O-N 2.94Å; Q65-Y204 WeakPolarHBondContact O-CE2 3.23Å; Q65-Y204 VanDerWaalsContact O-CZ 3.28Å; Q65-Y204 PolarHBondContact O-OH 3.18Å; Q65-G273 PolarHBondContact N-O 2.74Å; Q65-L275 HydrophobicContact CB-CB 4.31Å; Q65-L275 VanDerWaalsContact OE1-CD2 3.24Å |
| 66 | L | 59 | Low | 65.4 | Low | 147 Ų | 147 | 52.7 Ų | 52.7 | 77% | 0.77 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 131.8 | 168 | -71.2 | 167.1 | 0 | 0 | 0 | 109.1 | P68 | L66-P68 WeakPolarHBondContact O-CD 3.44Š|
| 67 | C | 61.9 | Low | 66.4 | Low | 26 Ų | 26 | 52.3 Ų | 52.3 | 18% | 0.176 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 119.4 | 163.4 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | I69 Y204 | C67-I69 PolarHBondContact O-N 3.02Å; C67-I69 VanDerWaalsContact O-N 3.13Å; C67-Y204 HydrophobicContact CB-CD1 3.27Å; C67-Y204 HydrophobicContact CB-CD2 4.3Å; C67-Y204 HydrophobicContact CB-CE1 3.56Å; C67-Y204 HydrophobicContact CB-CG 3.66Å |
| 68 | P | 54.7 | Low | 66.9 | Low | 39 Ų | 39 | 57 Ų | 57 | 25% | 0.253 | 30% | 0.302 | S | S | . | . | trans | -71.2 | -5.7 | -177.6 | 28.1 | -32.7 | 0 | 0 | 0 | 112.5 | I38 L42 L66 S70 | I38-P68 WeakPolarHBondContact CG2-O 3.47Å; L42-P68 HydrophobicContact CD1-CG 4.47Å; L42-P68 HydrophobicContact CD2-CG 4.04Å; L42-P68 HydrophobicContact CG-CG 3.71Å; L66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-S70 PolarHBondContact O-N 3.2Å; P68-S70 VanDerWaalsContact O-N 3.15Å | ||
| 69 | I | 63 | Low | 67.4 | Low | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | trans | -78.4 | 108 | -176.3 | -54.8 | 177 | 0 | 0 | 0 | 109.9 | C67 F71 I164 Y169 A171 V194 | C67-I69 PolarHBondContact O-N 3.02Å; C67-I69 VanDerWaalsContact O-N 3.13Å; I69-F71 HydrophobicContact CB-CE2 3.99Å; I69-F71 HydrophobicContact CG2-CD2 4.02Å; I69-F71 HydrophobicContact CG2-CE2 3.5Å; I69-F71 HydrophobicContact CG2-CZ 3.87Å; I69-F71 WeakPolarHBondContact O-CD2 3.45Å; I69-I164 HydrophobicContact CG2-CD1 3.55Å; I69-Y169 HydrophobicContact CD1-CD2 4.3Å; I69-Y169 HydrophobicContact CD1-CE2 3.88Å; I69-Y169 HydrophobicContact CG1-CE2 4.35Å; I69-Y169 HydrophobicContact CG2-CE2 4.33Å; I69-A171 HydrophobicContact CD1-CB 3.87Å; I69-A171 HydrophobicContact CG2-CB 4.21Å; I69-V194 HydrophobicContact CD1-CB 4.24Å; I69-V194 HydrophobicContact CD1-CG1 3.82Å; I69-V194 HydrophobicContact CD1-CG2 3.33Å | ||
| 70 | S | 66.7 | Low | 67.5 | Low | 21 Ų | 21 | 59 Ų | 59 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | trans | -81.3 | 127 | 166.8 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | P68 N72 I164 | P68-S70 PolarHBondContact O-N 3.2Å; P68-S70 VanDerWaalsContact O-N 3.15Å; S70-N72 VanDerWaalsContact C-N 3.31Å; S70-N72 PolarHBondContact O-N 3.42Å; S70-N72 VanDerWaalsContact OG-CG 3.23Å; S70-N72 PolarHBondContact OG-N 2.96Å; S70-N72 PolarHBondContact OG-ND2 3.46Å; S70-I164 WeakPolarHBondContact O-CD1 3.11Å | ||
| 71 | F | 69.8 | Low | 67.3 | Low | 14 Ų | 14 | 63.9 Ų | 63.9 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | trans | -91.9 | 19.7 | 178.3 | -75.2 | -98.3 | 0 | 0 | 0 | 113.6 | I69 N73 A74 K162 I164 A171 E173 V192 | I69-F71 HydrophobicContact CB-CE2 3.99Å; I69-F71 HydrophobicContact CG2-CD2 4.02Å; I69-F71 HydrophobicContact CG2-CE2 3.5Å; I69-F71 HydrophobicContact CG2-CZ 3.87Å; I69-F71 WeakPolarHBondContact O-CD2 3.45Å; F71-N73 VanDerWaalsContact C-N 3.29Å; F71-N73 PolarHBondContact O-N 3Å; F71-A74 HydrophobicContact CB-CB 3.96Å; F71-A74 HydrophobicContact CD1-CB 3.62Å; F71-A74 HydrophobicContact CG-CB 4.25Å; F71-A74 WeakPolarHBondContact O-CB 3.49Å; F71-A74 PolarHBondContact O-N 2.85Å; F71-K162 HydrophobicContact CB-CD 4.32Å; F71-K162 HydrophobicContact CD1-CB 3.84Å; F71-K162 HydrophobicContact CE1-CB 4.41Å; F71-I164 HydrophobicContact CD1-CD1 4Å; F71-I164 HydrophobicContact CD1-CG1 4.05Å; F71-I164 HydrophobicContact CE1-CD1 4.16Å; F71-I164 HydrophobicContact CE1-CG1 4.11Å; F71-I164 HydrophobicContact CG-CD1 4.19Å; F71-A171 HydrophobicContact CE1-CB 4.3Å; F71-A171 HydrophobicContact CZ-CB 3.84Å; F71-E173 HydrophobicContact CD1-CB 3.9Å; F71-E173 HydrophobicContact CE1-CB 3.52Å; F71-E173 HydrophobicContact CE2-CB 4.21Å; F71-E173 HydrophobicContact CG-CB 4.41Å; F71-E173 WeakPolarHBondContact CG-OE2 3.05Å; F71-E173 HydrophobicContact CZ-CB 3.71Å; F71-V192 HydrophobicContact CE2-CG1 3.79Å; F71-V192 HydrophobicContact CE2-CG2 4.05Å; F71-V192 HydrophobicContact CZ-CG1 3.59Å; F71-V192 HydrophobicContact CZ-CG2 4.36Å | ||
| 72 | N | 65.1 | Low | 67.2 | Low | 128 Ų | 128 | 72.6 Ų | 72.6 | 68% | 0.684 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -36.5 | 179.9 | -71.5 | -8.9 | 0 | 0 | 0 | 112.6 | F35 S70 | F35-N72 HydrophobicContact CE2-CB 4.37Å; S70-N72 VanDerWaalsContact C-N 3.31Å; S70-N72 PolarHBondContact O-N 3.42Å; S70-N72 VanDerWaalsContact OG-CG 3.23Å; S70-N72 PolarHBondContact OG-N 2.96Å; S70-N72 PolarHBondContact OG-ND2 3.46Å |
| 73 | N | 68.7 | Low | 67.1 | Low | 122 Ų | 122 | 78.3 Ų | 78.3 | 65% | 0.652 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 26.7 | 177.9 | -65.8 | -10.3 | 0 | 0 | 0 | 112.7 | F35 F71 | F35-N73 HydrophobicContact CZ-CB 3.86Å; F35-N73 WeakPolarHBondContact CZ-ND2 3.46Å; F71-N73 VanDerWaalsContact C-N 3.29Å; F71-N73 PolarHBondContact O-N 3Å |
| 74 | A | 80.3 | Confident | 67.2 | Low | 11 Ų | 11 | 77.7 Ų | 77.7 | 9% | 0.091 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 145.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F71 Y76 K162 T163 I164 | F71-A74 HydrophobicContact CB-CB 3.96Å; F71-A74 HydrophobicContact CD1-CB 3.62Å; F71-A74 HydrophobicContact CG-CB 4.25Å; F71-A74 WeakPolarHBondContact O-CB 3.49Å; F71-A74 PolarHBondContact O-N 2.85Å; A74-Y76 WeakPolarHBondContact O-CD2 3.42Å; A74-Y76 WeakPolarHBondContact O-CE2 3.43Å; A74-K162 HydrophobicContact CB-CB 3.79Å; A74-K162 HydrophobicContact CB-CD 4.4Å; A74-T163 WeakPolarHBondContact CA-O 3.29Å; A74-I164 HydrophobicContact CB-CG1 3.88Å |
| 75 | T | 80.5 | Confident | 67.7 | Low | 81 Ų | 81 | 73.7 Ų | 73.7 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 136.1 | 173 | 58.8 | 0 | 0 | 0 | 0 | 109.8 | K162 T163 | T75-K162 CarbonylContact O-C 3.48Å; T75-K162 VanDerWaalsContact O-CA 3.29Å; T75-K162 WeakPolarHBondContact O-CA 3.46Å; T75-T163 PolarHBondContact N-O 3.26Å; T75-T163 PolarHBondContact O-N 2.85Å; T75-T163 PolarHBondContact OG1-O 2.94Å; T75-T163 PolarHBondContact OG1-OG1 3.25Å |
| 76 | Y | 80.2 | Confident | 68.5 | Low | 140 Ų | 140 | 77.6 Ų | 77.6 | 55% | 0.549 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.1 | -178.9 | -70 | -103.8 | 0 | 0 | 0 | 109.6 | A74 I161 K162 | A74-Y76 WeakPolarHBondContact O-CD2 3.42Å; A74-Y76 WeakPolarHBondContact O-CE2 3.43Å; Y76-I161 WeakPolarHBondContact CA-O 3.19Å; Y76-K162 HydrophobicContact CD1-CD 4.23Å; Y76-K162 HydrophobicContact CD1-CG 3.83Å; Y76-K162 HydrophobicContact CE1-CD 3.46Å; Y76-K162 VanDerWaalsContact CE1-CD 3.46Å; Y76-K162 HydrophobicContact CE1-CG 3.58Å; Y76-K162 HydrophobicContact CE2-CD 4.31Å; Y76-K162 VanDerWaalsContact CZ-CD 3.49Å; Y76-K162 WeakPolarHBondContact OH-CD 3.32Å; Y76-K162 WeakPolarHBondContact OH-CE 3.29Å; Y76-K162 PolarHBondContact OH-NZ 3.05Å |
| 77 | T | 74.8 | Confident | 69.6 | Low | 48 Ų | 48 | 71.4 Ų | 71.4 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.7 | 174.5 | -51.8 | 0 | 0 | 0 | 0 | 109.1 | L85 I161 | T77-L85 HydrophobicContact CG2-CD1 3.79Å; T77-L85 HydrophobicContact CG2-CD2 3.81Å; T77-L85 HydrophobicContact CG2-CG 4.48Å; T77-I161 PolarHBondContact N-O 2.88Å; T77-I161 WeakPolarHBondContact O-CG1 3.14Å; T77-I161 PolarHBondContact O-N 3.32Å |
| 78 | I | 70.7 | Confident | 70.6 | Confident | 104 Ų | 104 | 75.2 Ų | 75.2 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.8 | 175.9 | -60.3 | 173.5 | 0 | 0 | 0 | 107.7 | N80 | I78-N80 PolarHBondContact O-N 2.88Å |
| 79 | I | 65.9 | Low | 71.9 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | trans | -83.8 | 111.7 | 173.4 | -65.9 | 163.4 | 0 | 0 | 0 | 108.4 | L85 I105 I155 G158 S159 I161 | I79-L85 HydrophobicContact CG1-CD2 4.37Å; I79-I105 HydrophobicContact CD1-CG2 3.82Å; I79-I155 HydrophobicContact CD1-CB 4.09Å; I79-I155 HydrophobicContact CD1-CD1 4.46Å; I79-I155 HydrophobicContact CD1-CG2 3.26Å; I79-G158 WeakPolarHBondContact O-CA 3.46Å; I79-G158 PolarHBondContact O-N 2.82Å; I79-S159 PolarHBondContact N-O 3.37Å; I79-I161 HydrophobicContact CD1-CD1 4.45Å; I79-I161 HydrophobicContact CD1-CG2 3.59Å; I79-I161 HydrophobicContact CG1-CD1 4.49Å; I79-I161 HydrophobicContact CG1-CG2 4.26Å | ||
| 80 | N | 65.2 | Low | 72.8 | Confident | 81 Ų | 81 | 79.8 Ų | 79.8 | 43% | 0.433 | 40% | 0.399 | S | S | . | . | trans | -78.8 | 153.5 | 177.3 | -64.7 | -27.7 | 0 | 0 | 0 | 110.9 | I78 E82 E83 | I78-N80 PolarHBondContact O-N 2.88Å; N80-E82 VanDerWaalsContact C-N 3.27Å; N80-E82 PolarHBondContact O-N 3.44Å; N80-E83 HydrophobicContact CB-CB 4.4Å; N80-E83 PolarHBondContact ND2-OE2 3.44Å | ||
| 81 | E | 60.9 | Low | 73.4 | Confident | 137 Ų | 137 | 80 Ų | 80 | 64% | 0.64 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -34.4 | 179.2 | -82 | -176.3 | -179 | 0 | 0 | 113.7 | I157 | E81-I157 HydrophobicContact CB-CG2 4.24Å; E81-I157 HydrophobicContact CG-CB 4.4Å; E81-I157 HydrophobicContact CG-CD1 4.27Å; E81-I157 HydrophobicContact CG-CG2 3.06Å |
| 82 | E | 62.8 | Low | 73.7 | Confident | 190 Ų | 190 | 83.9 Ų | 83.9 | 89% | 0.888 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -4.4 | -167.7 | -59.9 | -171.8 | 166.4 | 0 | 0 | 113.8 | N80 | N80-E82 VanDerWaalsContact C-N 3.27Å; N80-E82 PolarHBondContact O-N 3.44Å |
| 83 | E | 66.2 | Low | 73.9 | Confident | 122 Ų | 122 | 77.8 Ų | 77.8 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | trans | -124.9 | 133.6 | -170.1 | -65.2 | -179 | 152.4 | 0 | 0 | 112.3 | N80 | N80-E83 HydrophobicContact CB-CB 4.4Å; N80-E83 PolarHBondContact ND2-OE2 3.44Å | ||
| 84 | T | 70.3 | Confident | 73.7 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 40% | 0.399 | 37% | 0.369 | S | S | . | . | trans | -77.4 | 123.9 | 166.7 | -64.1 | 0 | 0 | 0 | 0 | 108.6 | I86 E104 L106 | T84-I86 HydrophobicContact CG2-CG1 4.33Å; T84-I86 PolarHBondContact O-N 2.97Å; T84-E104 HydrophobicContact CG2-CB 3.75Å; T84-E104 HydrophobicContact CG2-CG 4.42Å; T84-L106 HydrophobicContact CG2-CD2 3.77Å | ||
| 85 | L | 73.4 | Confident | 73 | Confident | 38 Ų | 38 | 75.5 Ų | 75.5 | 20% | 0.199 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 113.8 | 177.1 | 176.7 | 63.7 | 0 | 0 | 0 | 109.5 | T77 I79 I87 E104 I105 I161 | T77-L85 HydrophobicContact CG2-CD1 3.79Å; T77-L85 HydrophobicContact CG2-CD2 3.81Å; T77-L85 HydrophobicContact CG2-CG 4.48Å; I79-L85 HydrophobicContact CG1-CD2 4.37Å; L85-I87 HydrophobicContact CD2-CD1 4.42Å; L85-I87 HydrophobicContact CG-CG1 4.26Å; L85-E104 CarbonylContact O-C 3.56Å; L85-E104 WeakPolarHBondContact O-CA 3.28Å; L85-I105 HydrophobicContact CB-CB 4.28Å; L85-I105 HydrophobicContact CD2-CD1 4.37Å; L85-I105 PolarHBondContact N-O 3.48Å; L85-I105 PolarHBondContact O-N 3.09Å; L85-I161 HydrophobicContact CD2-CD1 3.37Å; L85-I161 HydrophobicContact CD2-CG1 4.32Å |
| 86 | I | 79 | Confident | 71.9 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.2 | 179.2 | -53.7 | 178.3 | 0 | 0 | 0 | 109.2 | T84 T102 E104 | T84-I86 HydrophobicContact CG2-CG1 4.33Å; T84-I86 PolarHBondContact O-N 2.97Å; I86-T102 HydrophobicContact CG2-CG2 4.49Å; I86-E104 HydrophobicContact CG1-CG 4.31Å |
| 87 | I | 80.7 | Confident | 70.7 | Confident | 17 Ų | 17 | 68.8 Ų | 68.8 | 9% | 0.087 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.2 | 175.6 | -56.1 | 171.7 | 0 | 0 | 0 | 107.8 | L85 P89 I103 I105 T163 L170 I172 | L85-I87 HydrophobicContact CD2-CD1 4.42Å; L85-I87 HydrophobicContact CG-CG1 4.26Å; I87-P89 WeakPolarHBondContact O-CD 3.16Å; I87-I103 PolarHBondContact N-O 3.28Å; I87-I103 PolarHBondContact O-N 3.29Å; I87-I105 HydrophobicContact CD1-CD1 3.85Å; I87-I105 HydrophobicContact CD1-CG1 4.43Å; I87-T163 HydrophobicContact CD1-CG2 4.11Å; I87-L170 HydrophobicContact CB-CD2 4.46Å; I87-L170 HydrophobicContact CG2-CD1 3.9Å; I87-L170 HydrophobicContact CG2-CD2 3.81Å; I87-I172 HydrophobicContact CD1-CD1 4.37Å |
| 88 | K | 82.8 | Confident | 70.1 | Confident | 106 Ų | 106 | 68.9 Ų | 68.9 | 46% | 0.461 | 35% | 0.347 | S | S | . | . | trans | -92.3 | 113 | 169.7 | -61.8 | -159.5 | 175.6 | -170.6 | 0 | 109.3 | T102 E116 N165 | K88-T102 HydrophobicContact CD-CG2 4.47Å; K88-T102 HydrophobicContact CG-CG2 4.14Å; K88-E116 WeakPolarHBondContact CE-OE1 3.22Å; K88-E116 IonicContact NZ-OE1 2.63Å; K88-E116 PolarHBondContact NZ-OE1 3.01Å; K88-E116 IonicContact NZ-OE2 2.82Å; K88-E116 PolarHBondContact NZ-OE2 2.75Å; K88-N165 PolarHBondContact O-ND2 3.14Å | ||
| 89 | P | 82 | Confident | 69.8 | Low | 15 Ų | 15 | 66 Ų | 66 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | trans | -61.5 | 152.7 | 172.1 | -17.8 | 32.5 | 0 | 0 | 0 | 110.4 | I87 F91 D101 I103 N165 | I87-P89 WeakPolarHBondContact O-CD 3.16Å; P89-F91 HydrophobicContact CB-CD1 4.08Å; P89-F91 HydrophobicContact CB-CD2 4.3Å; P89-F91 HydrophobicContact CB-CE1 3.81Å; P89-F91 HydrophobicContact CB-CE2 4.06Å; P89-F91 HydrophobicContact CB-CG 4.32Å; P89-F91 HydrophobicContact CB-CZ 3.82Å; P89-F91 WeakPolarHBondContact CB-O 3.36Å; P89-F91 PolarHBondContact O-N 3.44Å; P89-D101 WeakPolarHBondContact CD-O 3.07Å; P89-I103 HydrophobicContact CG-CD1 3.6Å; P89-I103 HydrophobicContact CG-CG1 3.98Å; P89-N165 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 90 | K | 82.8 | Confident | 70 | Confident | 137 Ų | 137 | 66.6 Ų | 66.6 | 60% | 0.596 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -77.5 | -0.1 | 173.8 | -62.9 | -175.4 | -177.2 | 167.8 | 0 | 113.7 | N165 D167 | K90-N165 VanDerWaalsContact CE-O 3.25Å; K90-N165 WeakPolarHBondContact CE-O 3.24Å; K90-N165 PolarHBondContact N-OD1 2.79Å; K90-N165 VanDerWaalsContact N-OD1 3.1Å; K90-N165 PolarHBondContact NZ-O 3.3Å; K90-D167 VanDerWaalsContact CB-OD1 3.25Å; K90-D167 WeakPolarHBondContact CB-OD1 3.41Å; K90-D167 WeakPolarHBondContact CD-OD1 3.42Å |
| 91 | F | 78.8 | Confident | 70.4 | Confident | 25 Ų | 25 | 65.1 Ų | 65.1 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -127.2 | 161.1 | 177.6 | 56.7 | -89.4 | 0 | 0 | 0 | 109.9 | P89 F93 N166 Y169 L170 A197 | P89-F91 HydrophobicContact CB-CD1 4.08Å; P89-F91 HydrophobicContact CB-CD2 4.3Å; P89-F91 HydrophobicContact CB-CE1 3.81Å; P89-F91 HydrophobicContact CB-CE2 4.06Å; P89-F91 HydrophobicContact CB-CG 4.32Å; P89-F91 HydrophobicContact CB-CZ 3.82Å; P89-F91 WeakPolarHBondContact CB-O 3.36Å; P89-F91 PolarHBondContact O-N 3.44Å; F91-F93 HydrophobicContact CD2-CB 4.39Å; F91-F93 HydrophobicContact CE2-CB 3.98Å; F91-F93 AromaticContact CE2-CD2 3.98Å; F91-F93 HydrophobicContact CE2-CD2 3.98Å; F91-F93 HydrophobicContact CE2-CG 4.47Å; F91-F93 PolarHBondContact O-N 2.84Å; F91-N166 VanDerWaalsContact CD1-O 3.25Å; F91-N166 WeakPolarHBondContact CD1-O 3.3Å; F91-Y169 VanDerWaalsContact CE1-CA 3.5Å; F91-L170 HydrophobicContact CE1-CB 4.36Å; F91-L170 HydrophobicContact CZ-CB 4.18Å; F91-A197 HydrophobicContact CB-CB 4.23Å; F91-A197 VanDerWaalsContact CD2-CA 3.47Å; F91-A197 HydrophobicContact CD2-CB 3.57Å; F91-A197 HydrophobicContact CE2-CB 4.15Å; F91-A197 HydrophobicContact CG-CB 3.96Å |
| 92 | Q | 76.1 | Confident | 71 | Confident | 96 Ų | 96 | 58.8 Ų | 58.8 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | trans | -78.6 | 118.4 | 169.5 | -173.8 | 162.5 | 54.3 | 0 | 0 | 109 | F94 P99 D101 | Q92-F94 HydrophobicContact CB-CE2 4.02Å; Q92-F94 HydrophobicContact CB-CZ 4.45Å; Q92-F94 HydrophobicContact CG-CD2 4.47Å; Q92-F94 HydrophobicContact CG-CE2 3.81Å; Q92-F94 HydrophobicContact CG-CZ 3.87Å; Q92-F94 WeakPolarHBondContact O-CD2 3.19Å; Q92-P99 HydrophobicContact CG-CB 3.82Å; Q92-D101 PolarHBondContact NE2-OD1 2.91Å | ||
| 93 | F | 69.9 | Low | 71.6 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 129.5 | 178.6 | -178.9 | -103.4 | 0 | 0 | 0 | 109.3 | F91 Y95 P99 Y100 L113 L195 Y196 I201 | F91-F93 HydrophobicContact CD2-CB 4.39Å; F91-F93 HydrophobicContact CE2-CB 3.98Å; F91-F93 AromaticContact CE2-CD2 3.98Å; F91-F93 HydrophobicContact CE2-CD2 3.98Å; F91-F93 HydrophobicContact CE2-CG 4.47Å; F91-F93 PolarHBondContact O-N 2.84Å; F93-Y95 HydrophobicContact CE1-CD2 4.35Å; F93-Y95 HydrophobicContact CE1-CG 4.33Å; F93-Y95 HydrophobicContact CZ-CD2 4.37Å; F93-P99 CarbonylContact O-C 3.58Å; F93-P99 WeakPolarHBondContact O-CA 3.39Å; F93-Y100 HydrophobicContact CD1-CD2 4.38Å; F93-Y100 PolarHBondContact N-O 2.93Å; F93-Y100 VanDerWaalsContact N-O 3.15Å; F93-Y100 PolarHBondContact O-N 3.44Å; F93-L113 HydrophobicContact CD1-CD1 3.93Å; F93-L113 HydrophobicContact CD1-CD2 3.97Å; F93-L113 HydrophobicContact CE1-CD1 3.51Å; F93-L113 HydrophobicContact CE1-CD2 3.9Å; F93-L113 HydrophobicContact CE1-CG 4.37Å; F93-L195 HydrophobicContact CD2-CB 4.32Å; F93-L195 HydrophobicContact CE2-CB 3.87Å; F93-L195 HydrophobicContact CE2-CD2 4.43Å; F93-L195 HydrophobicContact CZ-CB 4.49Å; F93-L195 HydrophobicContact CZ-CD2 4.28Å; F93-Y196 WeakPolarHBondContact CD2-O 3.46Å; F93-Y196 WeakPolarHBondContact CE2-O 3.34Å; F93-I201 HydrophobicContact CZ-CG1 4.45Å |
| 94 | F | 65.6 | Low | 71.8 | Confident | 79 Ų | 79 | 46 Ų | 46 | 35% | 0.346 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.9 | 175.8 | -69.2 | -92 | 0 | 0 | 0 | 110 | Q92 L98 P99 G199 | Q92-F94 HydrophobicContact CB-CE2 4.02Å; Q92-F94 HydrophobicContact CB-CZ 4.45Å; Q92-F94 HydrophobicContact CG-CD2 4.47Å; Q92-F94 HydrophobicContact CG-CE2 3.81Å; Q92-F94 HydrophobicContact CG-CZ 3.87Å; Q92-F94 WeakPolarHBondContact O-CD2 3.19Å; F94-L98 CarbonylContact C-O 3.59Å; F94-L98 VanDerWaalsContact CA-O 3.29Å; F94-L98 WeakPolarHBondContact CA-O 3.42Å; F94-P99 HydrophobicContact CD1-CB 4.09Å; F94-P99 HydrophobicContact CE1-CB 3.77Å; F94-P99 HydrophobicContact CE1-CG 4.43Å; F94-P99 HydrophobicContact CZ-CB 4.32Å; F94-G199 WeakPolarHBondContact O-CA 3.17Å; F94-G199 PolarHBondContact O-N 3.46Å |
| 95 | Y | 64.5 | Low | 71.8 | Confident | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 127.4 | 171.4 | -168 | -114 | 0 | 0 | 0 | 109.2 | F93 G97 L98 L113 E147 I149 I201 P280 | F93-Y95 HydrophobicContact CE1-CD2 4.35Å; F93-Y95 HydrophobicContact CE1-CG 4.33Å; F93-Y95 HydrophobicContact CZ-CD2 4.37Å; Y95-G97 PolarHBondContact O-N 3.4Å; Y95-G97 VanDerWaalsContact O-N 3.08Å; Y95-L98 PolarHBondContact N-O 3.21Å; Y95-L98 WeakPolarHBondContact O-CB 3.37Å; Y95-L98 PolarHBondContact O-N 2.9Å; Y95-L113 HydrophobicContact CD1-CD1 4.2Å; Y95-L113 HydrophobicContact CG-CD1 4.12Å; Y95-E147 WeakPolarHBondContact CD1-OE2 3.48Å; Y95-I149 HydrophobicContact CD1-CD1 3.56Å; Y95-I149 HydrophobicContact CD1-CG1 4Å; Y95-I149 HydrophobicContact CD2-CD1 3.82Å; Y95-I149 HydrophobicContact CE1-CD1 3.36Å; Y95-I149 HydrophobicContact CE1-CG1 3.63Å; Y95-I149 HydrophobicContact CE2-CD1 3.65Å; Y95-I149 HydrophobicContact CG-CD1 3.79Å; Y95-I149 VanDerWaalsContact CZ-CD1 3.42Å; Y95-I201 HydrophobicContact CD2-CD1 4.37Å; Y95-I201 HydrophobicContact CE2-CD1 3.85Å; Y95-P280 HydrophobicContact CD2-CG 4.37Å; Y95-P280 HydrophobicContact CE2-CB 4.48Å; Y95-P280 HydrophobicContact CE2-CG 4.47Å |
| 96 | Y | 57.7 | Low | 71.4 | Confident | 21 Ų | 21 | 43 Ų | 43 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 32.3 | -167.9 | -67.8 | -66.9 | 0 | 0 | 0 | 114.4 | Y56 L98 P280 F283 | Y56-Y96 WeakPolarHBondContact CB-OH 3.29Å; Y56-Y96 VanDerWaalsContact O-CE1 3.29Å; Y56-Y96 WeakPolarHBondContact O-CE1 3.23Å; Y96-L98 VanDerWaalsContact C-N 3.28Å; Y96-L98 PolarHBondContact O-N 3.23Å; Y96-P280 HydrophobicContact CD1-CB 3.85Å; Y96-P280 HydrophobicContact CE1-CB 3.7Å; Y96-P280 HydrophobicContact CG-CB 4.41Å; Y96-F283 HydrophobicContact CD1-CE2 4.02Å; Y96-F283 HydrophobicContact CG-CE2 4.39Å |
| 97 | G | 55.2 | Low | 70.5 | Confident | 59 Ų | 59 | 43.7 Ų | 43.7 | 61% | 0.608 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -1.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y95 | Y95-G97 PolarHBondContact O-N 3.4Å; Y95-G97 VanDerWaalsContact O-N 3.08Å |
| 98 | L | 60.9 | Low | 69.4 | Low | 50 Ų | 50 | 46.3 Ų | 46.3 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132.6 | 176 | -63.5 | 175.8 | 0 | 0 | 0 | 110.8 | F94 Y95 Y96 Y100 M143 | F94-L98 CarbonylContact C-O 3.59Å; F94-L98 VanDerWaalsContact CA-O 3.29Å; F94-L98 WeakPolarHBondContact CA-O 3.42Å; Y95-L98 PolarHBondContact N-O 3.21Å; Y95-L98 WeakPolarHBondContact O-CB 3.37Å; Y95-L98 PolarHBondContact O-N 2.9Å; Y96-L98 VanDerWaalsContact C-N 3.28Å; Y96-L98 PolarHBondContact O-N 3.23Å; L98-Y100 HydrophobicContact CB-CE2 3.86Å; L98-Y100 VanDerWaalsContact O-CD2 3.23Å; L98-Y100 WeakPolarHBondContact O-CD2 3.12Å; L98-Y100 VanDerWaalsContact O-CE2 3.28Å; L98-Y100 WeakPolarHBondContact O-CE2 3.11Å; L98-M143 HydrophobicContact CD1-CE 4.12Å |
| 99 | P | 65.3 | Low | 68.1 | Low | 42 Ų | 42 | 41.2 Ų | 41.2 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 140.7 | 177.2 | 30.2 | -32.5 | 0 | 0 | 0 | 112.2 | Q92 F93 F94 | Q92-P99 HydrophobicContact CG-CB 3.82Å; F93-P99 CarbonylContact O-C 3.58Å; F93-P99 WeakPolarHBondContact O-CA 3.39Å; F94-P99 HydrophobicContact CD1-CB 4.09Å; F94-P99 HydrophobicContact CE1-CB 3.77Å; F94-P99 HydrophobicContact CE1-CG 4.43Å; F94-P99 HydrophobicContact CZ-CB 4.32Å |
| 100 | Y | 69.2 | Low | 67.1 | Low | 15 Ų | 15 | 40.9 Ų | 40.9 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.2 | 174.6 | -60.7 | -85.7 | 0 | 0 | 0 | 109.7 | F93 L98 L113 E147 | F93-Y100 HydrophobicContact CD1-CD2 4.38Å; F93-Y100 PolarHBondContact N-O 2.93Å; F93-Y100 VanDerWaalsContact N-O 3.15Å; F93-Y100 PolarHBondContact O-N 3.44Å; L98-Y100 HydrophobicContact CB-CE2 3.86Å; L98-Y100 VanDerWaalsContact O-CD2 3.23Å; L98-Y100 WeakPolarHBondContact O-CD2 3.12Å; L98-Y100 VanDerWaalsContact O-CE2 3.28Å; L98-Y100 WeakPolarHBondContact O-CE2 3.11Å; Y100-L113 HydrophobicContact CD1-CB 3.56Å; Y100-L113 HydrophobicContact CD2-CB 4.28Å; Y100-L113 HydrophobicContact CD2-CD1 3.9Å; Y100-L113 HydrophobicContact CE1-CB 3.96Å; Y100-L113 HydrophobicContact CE2-CD1 4.08Å; Y100-L113 HydrophobicContact CG-CB 3.74Å; Y100-L113 HydrophobicContact CG-CD1 4.17Å; Y100-E147 VanDerWaalsContact OH-CB 3.32Å; Y100-E147 WeakPolarHBondContact OH-CB 3.25Å; Y100-E147 WeakPolarHBondContact OH-CG 3.4Å; Y100-E147 PolarHBondContact OH-OE2 2.81Å |
| 101 | D | 75 | Confident | 66.2 | Low | 49 Ų | 49 | 34.6 Ų | 34.6 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | trans | -105.8 | -15.6 | -173.6 | -53.1 | -43.5 | 0 | 0 | 0 | 112.1 | P89 Q92 S114 | P89-D101 WeakPolarHBondContact CD-O 3.07Å; Q92-D101 PolarHBondContact NE2-OD1 2.91Å; D101-S114 PolarHBondContact N-O 2.87Å | ||
| 102 | T | 73.5 | Confident | 65.4 | Low | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 146 | -175.4 | 65.6 | 0 | 0 | 0 | 0 | 111.5 | I86 K88 S114 E116 | I86-T102 HydrophobicContact CG2-CG2 4.49Å; K88-T102 HydrophobicContact CD-CG2 4.47Å; K88-T102 HydrophobicContact CG-CG2 4.14Å; T102-S114 PolarHBondContact N-O 3.44Å; T102-S114 PolarHBondContact O-N 2.8Å; T102-S114 VanDerWaalsContact O-O 3.12Å; T102-S114 VanDerWaalsContact OG1-C 3.29Å; T102-S114 VanDerWaalsContact OG1-CB 3.24Å; T102-S114 WeakPolarHBondContact OG1-CB 3.48Å; T102-S114 PolarHBondContact OG1-O 2.64Å; T102-E116 HydrophobicContact CG2-CG 3.84Å |
| 103 | I | 74.9 | Confident | 64.8 | Low | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.6 | 176.1 | -62.5 | 177.5 | 0 | 0 | 0 | 107.1 | I87 P89 I111 S112 L113 L170 L195 | I87-I103 PolarHBondContact N-O 3.28Å; I87-I103 PolarHBondContact O-N 3.29Å; P89-I103 HydrophobicContact CG-CD1 3.6Å; P89-I103 HydrophobicContact CG-CG1 3.98Å; I103-I111 HydrophobicContact CG2-CG2 3.4Å; I103-I111 VanDerWaalsContact CG2-CG2 3.4Å; I103-S112 CarbonylContact C-O 3.53Å; I103-S112 WeakPolarHBondContact CA-O 3.4Å; I103-L113 HydrophobicContact CD1-CD2 4.35Å; I103-L113 HydrophobicContact CG1-CD2 3.86Å; I103-L170 HydrophobicContact CB-CD2 4.44Å; I103-L170 HydrophobicContact CD1-CD2 3.52Å; I103-L195 HydrophobicContact CD1-CD1 3.45Å; I103-L195 VanDerWaalsContact CD1-CD1 3.45Å; I103-L195 HydrophobicContact CG2-CD1 4.44Å |
| 104 | E | 70.5 | Confident | 64.5 | Low | 44 Ų | 44 | 30.4 Ų | 30.4 | 21% | 0.206 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.8 | -174.6 | -54.9 | 176.4 | 178.7 | 0 | 0 | 109.4 | T84 L85 I86 I111 S112 S114 | T84-E104 HydrophobicContact CG2-CB 3.75Å; T84-E104 HydrophobicContact CG2-CG 4.42Å; L85-E104 CarbonylContact O-C 3.56Å; L85-E104 WeakPolarHBondContact O-CA 3.28Å; I86-E104 HydrophobicContact CG1-CG 4.31Å; E104-I111 CarbonylContact O-C 3.53Å; E104-I111 WeakPolarHBondContact O-CA 3.34Å; E104-S112 PolarHBondContact N-O 3.49Å; E104-S112 PolarHBondContact O-N 2.97Å; E104-S114 WeakPolarHBondContact OE1-CB 3.2Å; E104-S114 PolarHBondContact OE1-OG 3.22Å; E104-S114 VanDerWaalsContact OE1-OG 3.09Å |
| 105 | I | 70 | Confident | 64.2 | Low | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 106.3 | 170.2 | -52.9 | 179.1 | 0 | 0 | 0 | 107.6 | I79 L85 I87 I110 I111 I155 I161 I172 | I79-I105 HydrophobicContact CD1-CG2 3.82Å; L85-I105 HydrophobicContact CB-CB 4.28Å; L85-I105 HydrophobicContact CD2-CD1 4.37Å; L85-I105 PolarHBondContact N-O 3.48Å; L85-I105 PolarHBondContact O-N 3.09Å; I87-I105 HydrophobicContact CD1-CD1 3.85Å; I87-I105 HydrophobicContact CD1-CG1 4.43Å; I105-I110 CarbonylContact C-O 3.56Å; I105-I110 WeakPolarHBondContact CA-O 3.25Å; I105-I111 HydrophobicContact CG1-CG1 4.35Å; I105-I155 HydrophobicContact CD1-CD1 4.33Å; I105-I155 HydrophobicContact CG2-CD1 3.82Å; I105-I161 HydrophobicContact CD1-CD1 3.75Å; I105-I172 HydrophobicContact CD1-CD1 4.16Å; I105-I172 HydrophobicContact CD1-CG2 4.23Å |
| 106 | L | 65.8 | Low | 63.7 | Low | 39 Ų | 39 | 34.4 Ų | 34.4 | 20% | 0.204 | 20% | 0.196 | C | C | . | . | trans | -71.6 | 161.3 | 179.4 | -54.6 | -178.1 | 0 | 0 | 0 | 111 | T84 N108 G109 I110 | T84-L106 HydrophobicContact CG2-CD2 3.77Å; L106-N108 WeakPolarHBondContact CB-OD1 3.22Å; L106-N108 PolarHBondContact O-N 3.16Å; L106-G109 WeakPolarHBondContact O-CA 3.07Å; L106-G109 PolarHBondContact O-N 3.24Å; L106-I110 HydrophobicContact CB-CB 4.19Å; L106-I110 HydrophobicContact CD1-CB 4.01Å; L106-I110 HydrophobicContact CD1-CG2 3.91Å; L106-I110 HydrophobicContact CG-CB 4.29Å; L106-I110 HydrophobicContact CG-CG2 4.43Å; L106-I110 PolarHBondContact N-O 2.84Å | ||
| 107 | M | 59.3 | Low | 62.9 | Low | 111 Ų | 111 | 37.1 Ų | 37.1 | 55% | 0.547 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -24.1 | -179.1 | 64 | -176.6 | 178.2 | 0 | 0 | 115.1 | G109 I157 | M107-G109 VanDerWaalsContact C-N 3.31Å; M107-I157 WeakPolarHBondContact O-CD1 3.33Å; M107-I157 WeakPolarHBondContact O-CG1 3.43Å |
| 108 | N | 57.7 | Low | 61.9 | Low | 72 Ų | 72 | 41.7 Ų | 41.7 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 8.5 | 175.3 | 56.3 | 4.3 | 0 | 0 | 0 | 113.6 | L106 I110 N153 G154 | L106-N108 WeakPolarHBondContact CB-OD1 3.22Å; L106-N108 PolarHBondContact O-N 3.16Å; N108-I110 VanDerWaalsContact CG-CD1 3.46Å; N108-I110 WeakPolarHBondContact ND2-CD1 3.35Å; N108-I110 WeakPolarHBondContact OD1-CB 3.22Å; N108-I110 VanDerWaalsContact OD1-CD1 3.27Å; N108-I110 WeakPolarHBondContact OD1-CD1 3.21Å; N108-I110 WeakPolarHBondContact OD1-CG1 3.31Å; N108-I110 PolarHBondContact OD1-N 3.42Å; N108-N153 PolarHBondContact O-OD1 2.9Å; N108-G154 PolarHBondContact O-N 3.37Å |
| 109 | G | 55.6 | Low | 60.5 | Low | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 80.6 | 15 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L106 M107 F152 | L106-G109 WeakPolarHBondContact O-CA 3.07Å; L106-G109 PolarHBondContact O-N 3.24Å; M107-G109 VanDerWaalsContact C-N 3.31Å; G109-F152 CarbonylContact C-O 3.54Å |
| 110 | I | 61.3 | Low | 58.7 | Low | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.036 | 25% | 0.25 | C | S | . | . | trans | -78.8 | 130.7 | 175.8 | -67.4 | 173.5 | 0 | 0 | 0 | 110.5 | I105 L106 N108 I148 K150 F152 | I105-I110 CarbonylContact C-O 3.56Å; I105-I110 WeakPolarHBondContact CA-O 3.25Å; L106-I110 HydrophobicContact CB-CB 4.19Å; L106-I110 HydrophobicContact CD1-CB 4.01Å; L106-I110 HydrophobicContact CD1-CG2 3.91Å; L106-I110 HydrophobicContact CG-CB 4.29Å; L106-I110 HydrophobicContact CG-CG2 4.43Å; L106-I110 PolarHBondContact N-O 2.84Å; N108-I110 VanDerWaalsContact CG-CD1 3.46Å; N108-I110 WeakPolarHBondContact ND2-CD1 3.35Å; N108-I110 WeakPolarHBondContact OD1-CB 3.22Å; N108-I110 VanDerWaalsContact OD1-CD1 3.27Å; N108-I110 WeakPolarHBondContact OD1-CD1 3.21Å; N108-I110 WeakPolarHBondContact OD1-CG1 3.31Å; N108-I110 PolarHBondContact OD1-N 3.42Å; I110-I148 HydrophobicContact CG2-CG2 3.92Å; I110-K150 HydrophobicContact CD1-CD 3.77Å; I110-K150 HydrophobicContact CD1-CG 3.95Å; I110-K150 HydrophobicContact CG1-CD 4.48Å; I110-K150 HydrophobicContact CG1-CG 4.26Å; I110-K150 HydrophobicContact CG2-CB 4.48Å; I110-K150 HydrophobicContact CG2-CG 3.75Å; I110-F152 VanDerWaalsContact CA-O 3.29Å; I110-F152 WeakPolarHBondContact CA-O 3.15Å | ||
| 111 | I | 62.5 | Low | 56.6 | Low | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 101.1 | 175.6 | -54 | -169.7 | 0 | 0 | 0 | 110 | I103 E104 I105 I149 F152 I172 | I103-I111 HydrophobicContact CG2-CG2 3.4Å; I103-I111 VanDerWaalsContact CG2-CG2 3.4Å; E104-I111 CarbonylContact O-C 3.53Å; E104-I111 WeakPolarHBondContact O-CA 3.34Å; I105-I111 HydrophobicContact CG1-CG1 4.35Å; I111-I149 CarbonylContact O-C 3.56Å; I111-F152 HydrophobicContact CB-CD2 4.39Å; I111-F152 HydrophobicContact CD1-CD2 3.48Å; I111-F152 VanDerWaalsContact CD1-CD2 3.48Å; I111-F152 HydrophobicContact CD1-CE2 3.95Å; I111-F152 HydrophobicContact CD1-CG 4.34Å; I111-F152 HydrophobicContact CG1-CD2 3.9Å; I111-I172 HydrophobicContact CD1-CD1 4.05Å |
| 112 | S | 63.4 | Low | 54.3 | Low | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 147.7 | 174 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | I103 E104 I148 | I103-S112 CarbonylContact C-O 3.53Å; I103-S112 WeakPolarHBondContact CA-O 3.4Å; E104-S112 PolarHBondContact N-O 3.49Å; E104-S112 PolarHBondContact O-N 2.97Å; S112-I148 WeakPolarHBondContact OG-CG1 3.5Å |
| 113 | L | 63.7 | Low | 51.9 | Low | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 138.8 | 165.4 | -53.8 | 178.2 | 0 | 0 | 0 | 109.1 | F93 Y95 Y100 I103 I149 | F93-L113 HydrophobicContact CD1-CD1 3.93Å; F93-L113 HydrophobicContact CD1-CD2 3.97Å; F93-L113 HydrophobicContact CE1-CD1 3.51Å; F93-L113 HydrophobicContact CE1-CD2 3.9Å; F93-L113 HydrophobicContact CE1-CG 4.37Å; Y95-L113 HydrophobicContact CD1-CD1 4.2Å; Y95-L113 HydrophobicContact CG-CD1 4.12Å; Y100-L113 HydrophobicContact CD1-CB 3.56Å; Y100-L113 HydrophobicContact CD2-CB 4.28Å; Y100-L113 HydrophobicContact CD2-CD1 3.9Å; Y100-L113 HydrophobicContact CE1-CB 3.96Å; Y100-L113 HydrophobicContact CE2-CD1 4.08Å; Y100-L113 HydrophobicContact CG-CB 3.74Å; Y100-L113 HydrophobicContact CG-CD1 4.17Å; I103-L113 HydrophobicContact CD1-CD2 4.35Å; I103-L113 HydrophobicContact CG1-CD2 3.86Å; L113-I149 HydrophobicContact CD1-CD1 3.38Å; L113-I149 HydrophobicContact CD1-CG1 3.78Å; L113-I149 HydrophobicContact CG-CD1 4Å; L113-I149 HydrophobicContact CG-CG1 4.09Å |
| 114 | S | 62.7 | Low | 49.7 | Very low | 25 Ų | 25 | 68.3 Ų | 68.3 | 18% | 0.175 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 145.3 | -176.6 | 177.6 | 0 | 0 | 0 | 0 | 110 | D101 T102 E104 | D101-S114 PolarHBondContact N-O 2.87Å; T102-S114 PolarHBondContact N-O 3.44Å; T102-S114 PolarHBondContact O-N 2.8Å; T102-S114 VanDerWaalsContact O-O 3.12Å; T102-S114 VanDerWaalsContact OG1-C 3.29Å; T102-S114 VanDerWaalsContact OG1-CB 3.24Å; T102-S114 WeakPolarHBondContact OG1-CB 3.48Å; T102-S114 PolarHBondContact OG1-O 2.64Å; E104-S114 WeakPolarHBondContact OE1-CB 3.2Å; E104-S114 PolarHBondContact OE1-OG 3.22Å; E104-S114 VanDerWaalsContact OE1-OG 3.09Å |
| 115 | S | 58.5 | Low | 47.4 | Very low | 44 Ų | 44 | 72 Ų | 72 | 31% | 0.308 | 38% | 0.375 | S | S | . | . | trans | -109.5 | 132.8 | 172.1 | 57.3 | 0 | 0 | 0 | 0 | 108.7 | V117 | S115-V117 PolarHBondContact O-N 3.39Š| ||
| 116 | E | 54.1 | Low | 45.2 | Very low | 126 Ų | 126 | 78.5 Ų | 78.5 | 59% | 0.589 | 41% | 0.408 | S | S | * | . | trans | -68.5 | -12.4 | 176.9 | -74.8 | -171.4 | 145.1 | 0 | 0 | 112.1 | K88 T102 N118 | K88-E116 WeakPolarHBondContact CE-OE1 3.22Å; K88-E116 IonicContact NZ-OE1 2.63Å; K88-E116 PolarHBondContact NZ-OE1 3.01Å; K88-E116 IonicContact NZ-OE2 2.82Å; K88-E116 PolarHBondContact NZ-OE2 2.75Å; T102-E116 HydrophobicContact CG2-CG 3.84Å; E116-N118 PolarHBondContact O-N 2.81Å | ||
| 117 | V | 41.6 | Very low | 43.1 | Very low | 78 Ų | 78 | 86 Ų | 86 | 47% | 0.473 | 43% | 0.434 | S | S | . | . | trans | -72.7 | 107.5 | -173.8 | -163.8 | 0 | 0 | 0 | 0 | 108.6 | S115 M119 | S115-V117 PolarHBondContact O-N 3.39Å; V117-M119 HydrophobicContact CB-CE 4.34Å; V117-M119 HydrophobicContact CB-CG 3.79Å; V117-M119 HydrophobicContact CG1-CB 4.44Å; V117-M119 HydrophobicContact CG1-CG 3.56Å; V117-M119 PolarHBondContact O-N 3.35Å | ||
| 118 | N | 34.6 | Very low | 41.3 | Very low | 154 Ų | 154 | 84.5 Ų | 84.5 | 82% | 0.824 | 44% | 0.435 | S | S | * | . | trans | -50.6 | 67.4 | 148.6 | -82.4 | -31.1 | 0 | 0 | 0 | 109.1 | E116 L120 | E116-N118 PolarHBondContact O-N 2.81Å; N118-L120 VanDerWaalsContact C-N 3.29Å; N118-L120 PolarHBondContact O-N 3.45Å | ||
| 119 | M | 31.8 | Very low | 39.7 | Very low | 86 Ų | 86 | 89.5 Ų | 89.5 | 42% | 0.424 | 45% | 0.449 | S | S | . | . | trans | -65.3 | 98.8 | 178.5 | -73 | -158.6 | -174.8 | 0 | 0 | 105.4 | V117 E121 R124 | V117-M119 HydrophobicContact CB-CE 4.34Å; V117-M119 HydrophobicContact CB-CG 3.79Å; V117-M119 HydrophobicContact CG1-CB 4.44Å; V117-M119 HydrophobicContact CG1-CG 3.56Å; V117-M119 PolarHBondContact O-N 3.35Å; M119-E121 PolarHBondContact O-N 3.25Å; M119-R124 PolarHBondContact O-NE 2.87Å; M119-R124 PolarHBondContact O-NH2 3.46Å | ||
| 120 | L | 26.5 | Very low | 38 | Very low | 125 Ų | 125 | 99.8 Ų | 99.8 | 65% | 0.654 | 49% | 0.494 | S | S | * | . | trans | -46.3 | 129.4 | 172.5 | -79.3 | 148.5 | 0 | 0 | 0 | 107.4 | N118 T122 D123 | N118-L120 VanDerWaalsContact C-N 3.29Å; N118-L120 PolarHBondContact O-N 3.45Å; L120-T122 PolarHBondContact O-N 3.5Å; L120-D123 PolarHBondContact O-N 2.82Å | ||
| 121 | E | 26.3 | Very low | 36.1 | Very low | 162 Ų | 162 | 102.4 Ų | 102.4 | 76% | 0.757 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -49 | -21.4 | -176.9 | -81.9 | 177.4 | 142.5 | 0 | 0 | 113.6 | M119 R124 | M119-E121 PolarHBondContact O-N 3.25Å; E121-R124 WeakPolarHBondContact O-CB 3.25Å |
| 122 | T | 25.4 | Very low | 34.1 | Very low | 110 Ų | 110 | 106.8 Ų | 106.8 | 68% | 0.675 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -77 | -24.8 | -177 | 52.6 | 0 | 0 | 0 | 0 | 115 | L120 R124 | L120-T122 PolarHBondContact O-N 3.5Å; T122-R124 VanDerWaalsContact C-N 3.26Å; T122-R124 PolarHBondContact O-N 3.45Å |
| 123 | D | 23.7 | Very low | 32.1 | Very low | 144 Ų | 144 | 113 Ų | 113 | 77% | 0.77 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -87.2 | 1.2 | 177.6 | -71.2 | -16.6 | 0 | 0 | 0 | 112.4 | L120 | L120-D123 PolarHBondContact O-N 2.82Š|
| 124 | R | 28 | Very low | 30.2 | Very low | 94 Ų | 94 | 120 Ų | 120 | 36% | 0.355 | 63% | 0.628 | S | S | . | * | trans | -90.2 | -2.5 | -167.3 | -64.6 | -169.6 | -168.5 | -170.7 | 0.3 | 115.7 | M119 E121 T122 I126 Y144 | M119-R124 PolarHBondContact O-NE 2.87Å; M119-R124 PolarHBondContact O-NH2 3.46Å; E121-R124 WeakPolarHBondContact O-CB 3.25Å; T122-R124 VanDerWaalsContact C-N 3.26Å; T122-R124 PolarHBondContact O-N 3.45Å; R124-I126 VanDerWaalsContact C-N 3.32Å; R124-I126 PolarHBondContact O-N 3.21Å; R124-Y144 HydrophobicContact CB-CE1 3.89Å; R124-Y144 PolarHBondContact O-OH 3.06Å; R124-Y144 VanDerWaalsContact O-OH 3.09Å | ||
| 125 | I | 22.5 | Very low | 28.3 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | trans | -77.7 | 89.2 | 177.7 | -51.8 | 176.1 | 0 | 0 | 0 | 107.5 | R127 | I125-R127 HydrophobicContact CB-CG 4.49Å; I125-R127 HydrophobicContact CG2-CB 4.39Å; I125-R127 HydrophobicContact CG2-CG 3.74Å; I125-R127 PolarHBondContact O-N 2.8Å | ||
| 126 | I | 24.5 | Very low | 26.8 | Very low | 135 Ų | 135 | 134 Ų | 134 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | trans | -56.1 | 96.4 | 146.2 | -62.7 | 175.5 | 0 | 0 | 0 | 103.7 | R124 S128 | R124-I126 VanDerWaalsContact C-N 3.32Å; R124-I126 PolarHBondContact O-N 3.21Å; I126-S128 VanDerWaalsContact C-N 3.27Å; I126-S128 PolarHBondContact O-N 3.32Å | ||
| 127 | R | 20.7 | Very low | 25.3 | Very low | 196 Ų | 196 | 131.8 Ų | 131.8 | 74% | 0.74 | 70% | 0.695 | S | S | * | * | trans | -62.7 | 98.9 | 176.8 | -69.2 | -179.3 | -169.5 | 176.8 | 3.9 | 104.5 | I125 Y129 | I125-R127 HydrophobicContact CB-CG 4.49Å; I125-R127 HydrophobicContact CG2-CB 4.39Å; I125-R127 HydrophobicContact CG2-CG 3.74Å; I125-R127 PolarHBondContact O-N 2.8Å; R127-Y129 VanDerWaalsContact C-N 3.26Å; R127-Y129 PolarHBondContact O-N 2.94Å | ||
| 128 | S | 23.1 | Very low | 24.5 | Very low | 81 Ų | 81 | 132 Ų | 132 | 57% | 0.566 | 70% | 0.699 | S | S | * | * | trans | -56.4 | 107.6 | 157.8 | 62.8 | 0 | 0 | 0 | 0 | 104.4 | I126 K130 | I126-S128 VanDerWaalsContact C-N 3.27Å; I126-S128 PolarHBondContact O-N 3.32Å; S128-K130 PolarHBondContact O-N 3.49Å | ||
| 129 | Y | 22.3 | Very low | 24 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | trans | -54.3 | 130.1 | 174.1 | -84.6 | -93.6 | 0 | 0 | 0 | 106.1 | R127 G131 | R127-Y129 VanDerWaalsContact C-N 3.26Å; R127-Y129 PolarHBondContact O-N 2.94Å; Y129-G131 PolarHBondContact O-N 3.5Å | ||
| 130 | K | 20.8 | Very low | 23.8 | Very low | 216 Ų | 216 | 137.8 Ų | 137.8 | 94% | 0.939 | 72% | 0.716 | S | S | * | * | trans | -64 | 75.7 | -173.7 | -168.5 | -176.9 | -176.5 | -178.5 | 0 | 109.7 | S128 | S128-K130 PolarHBondContact O-N 3.49Š| ||
| 131 | G | 21.3 | Very low | 23.8 | Very low | 63 Ų | 63 | 135.9 Ų | 135.9 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | trans | -111.5 | 89 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y129 | Y129-G131 PolarHBondContact O-N 3.5Š| ||
| 132 | S | 20.8 | Very low | 23.9 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | trans | 3.8 | 114.3 | 160 | 51.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 133 | T | 20.4 | Very low | 24 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 84% | 0.84 | 68% | 0.684 | S | S | * | * | trans | 36.4 | 97.8 | 139.5 | 50.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 134 | I | 24.2 | Very low | 24.3 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | trans | -125.6 | 114.5 | 151.8 | -60.6 | -178.6 | 0 | 0 | 0 | 108.7 | Y136 | I134-Y136 HydrophobicContact CG2-CD2 3.67Å; I134-Y136 HydrophobicContact CG2-CE2 4.46Å; I134-Y136 PolarHBondContact O-N 3.18Å; I134-Y136 VanDerWaalsContact O-N 3.07Å | ||
| 135 | D | 23.5 | Very low | 24.5 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 89% | 0.888 | 67% | 0.671 | S | S | * | * | trans | -80.8 | 38.9 | -167.8 | -138.2 | -6.3 | 0 | 0 | 0 | 112.9 | ||||
| 136 | Y | 27 | Very low | 24.9 | Very low | 197 Ų | 197 | 127.8 Ų | 127.8 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -117.1 | 74.2 | 178.9 | -75.5 | -73.1 | 0 | 0 | 0 | 110.9 | I134 C138 | I134-Y136 HydrophobicContact CG2-CD2 3.67Å; I134-Y136 HydrophobicContact CG2-CE2 4.46Å; I134-Y136 PolarHBondContact O-N 3.18Å; I134-Y136 VanDerWaalsContact O-N 3.07Å; Y136-C138 PolarHBondContact O-N 3Å |
| 137 | G | 22.9 | Very low | 25.4 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 81% | 0.814 | 63% | 0.634 | S | S | * | * | trans | 48.9 | 5.4 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | N139 | G137-N139 PolarHBondContact O-N 3.27Š| ||
| 138 | C | 24 | Very low | 25.9 | Very low | 84 Ų | 84 | 113.6 Ų | 113.6 | 57% | 0.568 | 60% | 0.6 | S | S | * | * | trans | -73.3 | 91.6 | 166.2 | -67.6 | 0 | 0 | 0 | 0 | 102.9 | Y136 W140 | Y136-C138 PolarHBondContact O-N 3Å; C138-W140 PolarHBondContact O-N 3.49Å | ||
| 139 | N | 25.4 | Very low | 26.6 | Very low | 149 Ų | 149 | 110 Ų | 110 | 80% | 0.797 | 58% | 0.575 | S | S | * | * | trans | -55.1 | 105 | 159.7 | -88.1 | -24.7 | 0 | 0 | 0 | 104.8 | G137 M141 | G137-N139 PolarHBondContact O-N 3.27Å; N139-M141 PolarHBondContact O-N 2.89Å | ||
| 140 | W | 27.8 | Very low | 27.2 | Very low | 212 Ų | 212 | 102.8 Ų | 102.8 | 80% | 0.803 | 55% | 0.547 | S | S | * | . | trans | -59.2 | 97.5 | 171.2 | -65.9 | 56 | 0 | 0 | 0 | 103.1 | C138 N142 | C138-W140 PolarHBondContact O-N 3.49Å; W140-N142 VanDerWaalsContact C-N 3.35Å; W140-N142 PolarHBondContact O-N 3.08Å | ||
| 141 | M | 26.2 | Very low | 27.9 | Very low | 85 Ų | 85 | 92.6 Ų | 92.6 | 42% | 0.419 | 50% | 0.503 | S | S | . | . | trans | -56.1 | 112.7 | 171.8 | -104.3 | 172.3 | -86.1 | 0 | 0 | 103.8 | N139 M143 Y252 | N139-M141 PolarHBondContact O-N 2.89Å; M141-M143 PolarHBondContact O-N 2.84Å; M141-Y252 HydrophobicContact CE-CE1 4.44Å; M141-Y252 HydrophobicContact CE-CE2 4.03Å; M141-Y252 VanDerWaalsContact CE-OH 3.24Å; M141-Y252 WeakPolarHBondContact CE-OH 3.25Å; M141-Y252 HydrophobicContact SD-CD1 4.27Å; M141-Y252 HydrophobicContact SD-CE1 3.44Å; M141-Y252 WeakPolarHBondContact SD-CE1 3.28Å; M141-Y252 HydrophobicContact SD-CE2 3.95Å; M141-Y252 PolarHBondContact SD-OH 2.84Å | ||
| 142 | N | 28.1 | Very low | 28.9 | Very low | 113 Ų | 113 | 90 Ų | 90 | 60% | 0.604 | 47% | 0.474 | S | S | * | . | trans | -50.2 | 96.7 | 164.2 | -96.5 | -20.4 | 0 | 0 | 0 | 105.7 | W140 Y144 | W140-N142 VanDerWaalsContact C-N 3.35Å; W140-N142 PolarHBondContact O-N 3.08Å; N142-Y144 HydrophobicContact CB-CD2 3.66Å; N142-Y144 HydrophobicContact CB-CE2 4.31Å; N142-Y144 PolarHBondContact O-N 3.27Å; N142-Y144 WeakPolarHBondContact OD1-CE2 3.25Å | ||
| 143 | M | 27.5 | Very low | 30 | Very low | 80 Ų | 80 | 87 Ų | 87 | 39% | 0.394 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 15.1 | 178.8 | -73 | 178.7 | 97.3 | 0 | 0 | 112 | L98 M141 Q145 F283 | L98-M143 HydrophobicContact CD1-CE 4.12Å; M141-M143 PolarHBondContact O-N 2.84Å; M143-Q145 PolarHBondContact O-N 3.42Å; M143-F283 HydrophobicContact CE-CE2 4.02Å |
| 144 | Y | 30.1 | Very low | 31.2 | Very low | 125 Ų | 125 | 81.4 Ų | 81.4 | 49% | 0.49 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 2.5 | -178.8 | -61 | -58.5 | 0 | 0 | 0 | 113.8 | R124 N142 | R124-Y144 HydrophobicContact CB-CE1 3.89Å; R124-Y144 PolarHBondContact O-OH 3.06Å; R124-Y144 VanDerWaalsContact O-OH 3.09Å; N142-Y144 HydrophobicContact CB-CD2 3.66Å; N142-Y144 HydrophobicContact CB-CE2 4.31Å; N142-Y144 PolarHBondContact O-N 3.27Å; N142-Y144 WeakPolarHBondContact OD1-CE2 3.25Å |
| 145 | Q | 32.3 | Very low | 32.8 | Very low | 75 Ų | 75 | 74.4 Ų | 74.4 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -90.6 | 124.2 | 178.3 | -71.2 | 164.4 | -3.1 | 0 | 0 | 107.1 | M143 E147 Y259 | M143-Q145 PolarHBondContact O-N 3.42Å; Q145-E147 PolarHBondContact O-N 3.2Å; Q145-Y259 HydrophobicContact CG-CD2 4.19Å; Q145-Y259 VanDerWaalsContact OE1-CG 3.31Å |
| 146 | T | 29.1 | Very low | 34.5 | Very low | 69 Ų | 69 | 68.4 Ų | 68.4 | 42% | 0.423 | 35% | 0.354 | S | S | . | . | trans | -35.6 | 111.3 | 162.4 | 36.3 | 0 | 0 | 0 | 0 | 108.4 | I148 | T146-I148 PolarHBondContact O-N 2.77Š| ||
| 147 | E | 36 | Very low | 36.2 | Very low | 27 Ų | 27 | 62.7 Ų | 62.7 | 13% | 0.126 | 34% | 0.336 | C | S | . | . | trans | -75.2 | 85.3 | 177.9 | -68.9 | -169.8 | 138.2 | 0 | 0 | 107.4 | Y95 Y100 Q145 I149 | Y95-E147 WeakPolarHBondContact CD1-OE2 3.48Å; Y100-E147 VanDerWaalsContact OH-CB 3.32Å; Y100-E147 WeakPolarHBondContact OH-CB 3.25Å; Y100-E147 WeakPolarHBondContact OH-CG 3.4Å; Y100-E147 PolarHBondContact OH-OE2 2.81Å; Q145-E147 PolarHBondContact O-N 3.2Å; E147-I149 PolarHBondContact O-N 3.24Å | ||
| 148 | I | 31.6 | Very low | 38.1 | Very low | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 99.2 | 172.2 | -54.7 | 177 | 0 | 0 | 0 | 105 | I110 S112 T146 K150 K258 F260 T261 | I110-I148 HydrophobicContact CG2-CG2 3.92Å; S112-I148 WeakPolarHBondContact OG-CG1 3.5Å; T146-I148 PolarHBondContact O-N 2.77Å; I148-K150 VanDerWaalsContact C-N 3.33Å; I148-K150 HydrophobicContact CG2-CG 4.32Å; I148-K150 PolarHBondContact O-N 3.48Å; I148-K258 HydrophobicContact CD1-CD 3.98Å; I148-F260 HydrophobicContact CB-CD1 3.45Å; I148-F260 VanDerWaalsContact CB-CD1 3.45Å; I148-F260 HydrophobicContact CB-CE1 4.09Å; I148-F260 HydrophobicContact CB-CG 4.39Å; I148-F260 HydrophobicContact CD1-CD1 3.6Å; I148-F260 HydrophobicContact CD1-CE1 3.29Å; I148-F260 HydrophobicContact CD1-CZ 4.29Å; I148-F260 HydrophobicContact CG1-CD1 4.04Å; I148-F260 HydrophobicContact CG1-CE1 4.23Å; I148-F260 HydrophobicContact CG2-CD1 3.48Å; I148-F260 VanDerWaalsContact CG2-CD1 3.48Å; I148-F260 HydrophobicContact CG2-CE1 4Å; I148-T261 PolarHBondContact O-N 2.86Å; I148-T261 VanDerWaalsContact O-N 3.13Å |
| 149 | I | 37 | Very low | 40.2 | Very low | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 93.2 | 170.2 | -52.4 | -175.8 | 0 | 0 | 0 | 107.3 | Y95 I111 L113 E147 A151 I201 T261 I263 | Y95-I149 HydrophobicContact CD1-CD1 3.56Å; Y95-I149 HydrophobicContact CD1-CG1 4Å; Y95-I149 HydrophobicContact CD2-CD1 3.82Å; Y95-I149 HydrophobicContact CE1-CD1 3.36Å; Y95-I149 HydrophobicContact CE1-CG1 3.63Å; Y95-I149 HydrophobicContact CE2-CD1 3.65Å; Y95-I149 HydrophobicContact CG-CD1 3.79Å; Y95-I149 VanDerWaalsContact CZ-CD1 3.42Å; I111-I149 CarbonylContact O-C 3.56Å; L113-I149 HydrophobicContact CD1-CD1 3.38Å; L113-I149 HydrophobicContact CD1-CG1 3.78Å; L113-I149 HydrophobicContact CG-CD1 4Å; L113-I149 HydrophobicContact CG-CG1 4.09Å; E147-I149 PolarHBondContact O-N 3.24Å; I149-A151 HydrophobicContact CG2-CB 3.52Å; I149-A151 PolarHBondContact O-N 3.41Å; I149-I201 HydrophobicContact CD1-CD1 3.74Å; I149-I201 HydrophobicContact CG2-CD1 4.48Å; I149-T261 CarbonylContact C-O 3.54Å; I149-T261 WeakPolarHBondContact CA-O 2.99Å; I149-I263 HydrophobicContact CG2-CD1 4.03Å; I149-I263 HydrophobicContact CG2-CG1 4.28Å |
| 150 | K | 35 | Very low | 42.4 | Very low | 24 Ų | 24 | 53.7 Ų | 53.7 | 10% | 0.104 | 29% | 0.285 | C | S | . | . | trans | -71.6 | 65.4 | 163.9 | -68.9 | -169.5 | -172.6 | 175.8 | 0 | 108.9 | I110 I148 F260 T261 V262 | I110-K150 HydrophobicContact CD1-CD 3.77Å; I110-K150 HydrophobicContact CD1-CG 3.95Å; I110-K150 HydrophobicContact CG1-CD 4.48Å; I110-K150 HydrophobicContact CG1-CG 4.26Å; I110-K150 HydrophobicContact CG2-CB 4.48Å; I110-K150 HydrophobicContact CG2-CG 3.75Å; I148-K150 VanDerWaalsContact C-N 3.33Å; I148-K150 HydrophobicContact CG2-CG 4.32Å; I148-K150 PolarHBondContact O-N 3.48Å; K150-F260 HydrophobicContact CD-CB 4.15Å; K150-F260 HydrophobicContact CD-CD1 4.21Å; K150-F260 HydrophobicContact CD-CG 4.19Å; K150-F260 VanDerWaalsContact CE-CG 3.43Å; K150-F260 HydrophobicContact CG-CB 4.11Å; K150-F260 HydrophobicContact CG-CD1 4.12Å; K150-F260 HydrophobicContact CG-CG 4.35Å; K150-T261 PolarHBondContact N-O 3.36Å; K150-V262 HydrophobicContact CB-CG1 4.4Å; K150-V262 HydrophobicContact CB-CG2 4.07Å; K150-V262 HydrophobicContact CD-CG2 4.38Å | ||
| 151 | A | 35.2 | Very low | 44.8 | Very low | 2 Ų | 2 | 43.6 Ų | 43.6 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | trans | -74.6 | -23.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I149 I263 | I149-A151 HydrophobicContact CG2-CB 3.52Å; I149-A151 PolarHBondContact O-N 3.41Å; A151-I263 HydrophobicContact CB-CB 4.42Å; A151-I263 HydrophobicContact CB-CD1 4.18Å | ||
| 152 | F | 42.1 | Very low | 47.6 | Very low | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | trans | -142.5 | 122.3 | -174.3 | -46 | -83.1 | 0 | 0 | 0 | 108.5 | G109 I110 I111 W174 C193 I203 | G109-F152 CarbonylContact C-O 3.54Å; I110-F152 VanDerWaalsContact CA-O 3.29Å; I110-F152 WeakPolarHBondContact CA-O 3.15Å; I111-F152 HydrophobicContact CB-CD2 4.39Å; I111-F152 HydrophobicContact CD1-CD2 3.48Å; I111-F152 VanDerWaalsContact CD1-CD2 3.48Å; I111-F152 HydrophobicContact CD1-CE2 3.95Å; I111-F152 HydrophobicContact CD1-CG 4.34Å; I111-F152 HydrophobicContact CG1-CD2 3.9Å; F152-W174 HydrophobicContact CB-CH2 4.2Å; F152-W174 HydrophobicContact CB-CZ2 4.13Å; F152-W174 AromaticContact CD1-CH2 3.42Å; F152-W174 HydrophobicContact CD1-CH2 3.42Å; F152-W174 VanDerWaalsContact CD1-CH2 3.42Å; F152-W174 AromaticContact CD1-CZ2 3.79Å; F152-W174 HydrophobicContact CD1-CZ2 3.79Å; F152-W174 HydrophobicContact CD2-CH2 4.48Å; F152-W174 AromaticContact CE1-CH2 3.84Å; F152-W174 HydrophobicContact CE1-CH2 3.84Å; F152-W174 AromaticContact CG-CH2 3.76Å; F152-W174 HydrophobicContact CG-CH2 3.76Å; F152-W174 HydrophobicContact CG-CZ2 4.13Å; F152-C193 HydrophobicContact CE1-CB 4.09Å; F152-C193 HydrophobicContact CE2-CB 3.87Å; F152-C193 WeakPolarHBondContact CE2-SG 3.19Å; F152-C193 HydrophobicContact CZ-CB 3.59Å; F152-C193 WeakPolarHBondContact CZ-SG 3.35Å; F152-I203 HydrophobicContact CD1-CD1 4.42Å; F152-I203 HydrophobicContact CE1-CB 4.31Å; F152-I203 HydrophobicContact CE1-CD1 3.33Å; F152-I203 HydrophobicContact CE1-CG1 3.58Å; F152-I203 HydrophobicContact CE1-CG2 3.85Å; F152-I203 HydrophobicContact CZ-CD1 3.5Å; F152-I203 VanDerWaalsContact CZ-CD1 3.5Å; F152-I203 HydrophobicContact CZ-CG1 3.56Å | ||
| 153 | N | 44 | Very low | 50.3 | Low | 35 Ų | 35 | 37.3 Ų | 37.3 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | trans | -97.1 | 165.1 | 153.5 | -155.6 | -6.7 | 0 | 0 | 0 | 104.3 | N108 L221 R222 | N108-N153 PolarHBondContact O-OD1 2.9Å; N153-L221 HydrophobicContact CB-CB 3.55Å; N153-L221 HydrophobicContact CB-CD1 4.22Å; N153-L221 HydrophobicContact CB-CD2 3.95Å; N153-L221 HydrophobicContact CB-CG 4.08Å; N153-L221 PolarHBondContact ND2-O 3.48Å; N153-L221 VanDerWaalsContact ND2-O 3.14Å; N153-L221 WeakPolarHBondContact O-CD2 3.13Å; N153-R222 PolarHBondContact ND2-O 2.65Å | ||
| 154 | G | 47 | Very low | 52.9 | Low | 19 Ų | 19 | 34.5 Ų | 34.5 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | trans | 84.6 | 24.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116 | N108 P156 W174 Y176 | N108-G154 PolarHBondContact O-N 3.37Å; G154-P156 VanDerWaalsContact O-CD 3.29Å; G154-P156 WeakPolarHBondContact O-CD 3.27Å; G154-W174 PolarHBondContact O-NE1 2.77Å; G154-Y176 WeakPolarHBondContact O-CD2 3.46Å | ||
| 155 | I | 57.8 | Low | 55.6 | Low | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | trans | -73.3 | 108 | 141.7 | -48 | 178.7 | 0 | 0 | 0 | 105.5 | I79 I105 S159 I161 W174 | I79-I155 HydrophobicContact CD1-CB 4.09Å; I79-I155 HydrophobicContact CD1-CD1 4.46Å; I79-I155 HydrophobicContact CD1-CG2 3.26Å; I105-I155 HydrophobicContact CD1-CD1 4.33Å; I105-I155 HydrophobicContact CG2-CD1 3.82Å; I155-S159 VanDerWaalsContact CG2-OG 3.22Å; I155-S159 WeakPolarHBondContact CG2-OG 3.35Å; I155-I161 HydrophobicContact CG2-CG2 3.7Å; I155-W174 HydrophobicContact CB-CG 4.26Å; I155-W174 HydrophobicContact CD1-CD2 4.17Å; I155-W174 HydrophobicContact CD1-CE3 4.26Å; I155-W174 HydrophobicContact CD1-CG 4.43Å; I155-W174 HydrophobicContact CG1-CB 4.4Å; I155-W174 HydrophobicContact CG1-CD2 3.69Å; I155-W174 HydrophobicContact CG1-CE3 4.27Å; I155-W174 HydrophobicContact CG1-CG 3.74Å; I155-W174 HydrophobicContact CG1-CZ2 4.35Å; I155-W174 HydrophobicContact CG2-CB 3.9Å; I155-W174 HydrophobicContact CG2-CG 4.01Å | ||
| 156 | P | 59 | Low | 57.9 | Low | 40 Ų | 40 | 28.7 Ų | 28.7 | 26% | 0.26 | 18% | 0.179 | S | C | . | . | trans | -69.8 | 143.7 | -175.2 | 21.5 | -18 | 0 | 0 | 0 | 109.5 | G154 G158 S159 Y176 | G154-P156 VanDerWaalsContact O-CD 3.29Å; G154-P156 WeakPolarHBondContact O-CD 3.27Å; P156-G158 PolarHBondContact O-N 2.63Å; P156-S159 WeakPolarHBondContact CD-OG 3.19Å; P156-S159 WeakPolarHBondContact O-CB 3.4Å; P156-S159 PolarHBondContact O-N 3.1Å; P156-S159 PolarHBondContact O-OG 2.79Å; P156-Y176 HydrophobicContact CB-CD2 3.92Å; P156-Y176 HydrophobicContact CB-CE2 4.31Å; P156-Y176 HydrophobicContact CG-CD2 3.57Å; P156-Y176 HydrophobicContact CG-CE2 4.41Å; P156-Y176 HydrophobicContact CG-CG 4.35Å | ||
| 157 | I | 62.8 | Low | 60.1 | Low | 77 Ų | 77 | 31 Ų | 31 | 40% | 0.395 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 139.4 | 168.1 | -72.4 | 177 | 0 | 0 | 0 | 109.9 | E81 M107 S159 | E81-I157 HydrophobicContact CB-CG2 4.24Å; E81-I157 HydrophobicContact CG-CB 4.4Å; E81-I157 HydrophobicContact CG-CD1 4.27Å; E81-I157 HydrophobicContact CG-CG2 3.06Å; M107-I157 WeakPolarHBondContact O-CD1 3.33Å; M107-I157 WeakPolarHBondContact O-CG1 3.43Å; I157-S159 PolarHBondContact O-N 3.33Å |
| 158 | G | 63.1 | Low | 61.8 | Low | 52 Ų | 52 | 35.6 Ų | 35.6 | 54% | 0.536 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -1.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | I79 P156 | I79-G158 WeakPolarHBondContact O-CA 3.46Å; I79-G158 PolarHBondContact O-N 2.82Å; P156-G158 PolarHBondContact O-N 2.63Å |
| 159 | S | 66.4 | Low | 64.3 | Low | 15 Ų | 15 | 36.1 Ų | 36.1 | 11% | 0.105 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 141.8 | 173.1 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | I79 I155 P156 I157 | I79-S159 PolarHBondContact N-O 3.37Å; I155-S159 VanDerWaalsContact CG2-OG 3.22Å; I155-S159 WeakPolarHBondContact CG2-OG 3.35Å; P156-S159 WeakPolarHBondContact CD-OG 3.19Å; P156-S159 WeakPolarHBondContact O-CB 3.4Å; P156-S159 PolarHBondContact O-N 3.1Å; P156-S159 PolarHBondContact O-OG 2.79Å; I157-S159 PolarHBondContact O-N 3.33Å |
| 160 | A | 72.7 | Confident | 66.4 | Low | 57 Ų | 57 | 35.9 Ų | 35.9 | 47% | 0.471 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 122.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 161 | I | 78.3 | Confident | 68.8 | Low | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 147.6 | 168.6 | 67.7 | 168.1 | 0 | 0 | 0 | 109.7 | Y76 T77 I79 L85 I105 I155 T163 I172 E173 W174 | Y76-I161 WeakPolarHBondContact CA-O 3.19Å; T77-I161 PolarHBondContact N-O 2.88Å; T77-I161 WeakPolarHBondContact O-CG1 3.14Å; T77-I161 PolarHBondContact O-N 3.32Å; I79-I161 HydrophobicContact CD1-CD1 4.45Å; I79-I161 HydrophobicContact CD1-CG2 3.59Å; I79-I161 HydrophobicContact CG1-CD1 4.49Å; I79-I161 HydrophobicContact CG1-CG2 4.26Å; L85-I161 HydrophobicContact CD2-CD1 3.37Å; L85-I161 HydrophobicContact CD2-CG1 4.32Å; I105-I161 HydrophobicContact CD1-CD1 3.75Å; I155-I161 HydrophobicContact CG2-CG2 3.7Å; I161-T163 HydrophobicContact CD1-CG2 3.88Å; I161-T163 HydrophobicContact CG1-CG2 4.29Å; I161-I172 HydrophobicContact CD1-CG2 4.4Å; I161-E173 CarbonylContact C-O 3.46Å; I161-E173 WeakPolarHBondContact CA-O 3.29Å; I161-W174 HydrophobicContact CG2-CB 3.93Å |
| 162 | K | 84.5 | Confident | 71 | Confident | 55 Ų | 55 | 34.7 Ų | 34.7 | 24% | 0.239 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 133.8 | 168.9 | -48.9 | -167.9 | -159.5 | -170.1 | 0 | 109.3 | F71 A74 T75 Y76 I172 E173 | F71-K162 HydrophobicContact CB-CD 4.32Å; F71-K162 HydrophobicContact CD1-CB 3.84Å; F71-K162 HydrophobicContact CE1-CB 4.41Å; A74-K162 HydrophobicContact CB-CB 3.79Å; A74-K162 HydrophobicContact CB-CD 4.4Å; T75-K162 CarbonylContact O-C 3.48Å; T75-K162 VanDerWaalsContact O-CA 3.29Å; T75-K162 WeakPolarHBondContact O-CA 3.46Å; Y76-K162 HydrophobicContact CD1-CD 4.23Å; Y76-K162 HydrophobicContact CD1-CG 3.83Å; Y76-K162 HydrophobicContact CE1-CD 3.46Å; Y76-K162 VanDerWaalsContact CE1-CD 3.46Å; Y76-K162 HydrophobicContact CE1-CG 3.58Å; Y76-K162 HydrophobicContact CE2-CD 4.31Å; Y76-K162 VanDerWaalsContact CZ-CD 3.49Å; Y76-K162 WeakPolarHBondContact OH-CD 3.32Å; Y76-K162 WeakPolarHBondContact OH-CE 3.29Å; Y76-K162 PolarHBondContact OH-NZ 3.05Å; K162-I172 CarbonylContact O-C 3.52Å; K162-I172 WeakPolarHBondContact O-CA 3.34Å; K162-E173 HydrophobicContact CB-CB 4.26Å; K162-E173 WeakPolarHBondContact CD-OE2 3.35Å; K162-E173 PolarHBondContact N-O 3.36Å; K162-E173 IonicContact NZ-OE2 3.98Å; K162-E173 PolarHBondContact O-N 3.05Å |
| 163 | T | 84.4 | Confident | 72.8 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141.3 | 177.7 | 76.6 | 0 | 0 | 0 | 0 | 112.4 | A74 T75 I87 I161 A171 I172 | A74-T163 WeakPolarHBondContact CA-O 3.29Å; T75-T163 PolarHBondContact N-O 3.26Å; T75-T163 PolarHBondContact O-N 2.85Å; T75-T163 PolarHBondContact OG1-O 2.94Å; T75-T163 PolarHBondContact OG1-OG1 3.25Å; I87-T163 HydrophobicContact CD1-CG2 4.11Å; I161-T163 HydrophobicContact CD1-CG2 3.88Å; I161-T163 HydrophobicContact CG1-CG2 4.29Å; T163-A171 CarbonylContact C-O 3.46Å; T163-A171 WeakPolarHBondContact CA-O 3.47Å; T163-I172 HydrophobicContact CG2-CG1 4.16Å; T163-I172 HydrophobicContact CG2-CG2 4.36Å |
| 164 | I | 82.7 | Confident | 74.4 | Confident | 21 Ų | 21 | 33.2 Ų | 33.2 | 11% | 0.108 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 119.8 | 167.9 | -59.9 | 176.8 | 0 | 0 | 0 | 106.4 | I69 S70 F71 A74 Y169 L170 A171 | I69-I164 HydrophobicContact CG2-CD1 3.55Å; S70-I164 WeakPolarHBondContact O-CD1 3.11Å; F71-I164 HydrophobicContact CD1-CD1 4Å; F71-I164 HydrophobicContact CD1-CG1 4.05Å; F71-I164 HydrophobicContact CE1-CD1 4.16Å; F71-I164 HydrophobicContact CE1-CG1 4.11Å; F71-I164 HydrophobicContact CG-CD1 4.19Å; A74-I164 HydrophobicContact CB-CG1 3.88Å; I164-Y169 HydrophobicContact CG2-CE2 4.15Å; I164-L170 WeakPolarHBondContact O-CA 3.18Å; I164-A171 HydrophobicContact CB-CB 4.36Å; I164-A171 PolarHBondContact N-O 2.99Å; I164-A171 PolarHBondContact O-N 3.18Å |
| 165 | N | 85.8 | Confident | 75.4 | Confident | 41 Ų | 41 | 34.3 Ų | 34.3 | 22% | 0.219 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 103.3 | -177.2 | -174.4 | 3.1 | 0 | 0 | 0 | 109.3 | K88 P89 K90 L170 | K88-N165 PolarHBondContact O-ND2 3.14Å; P89-N165 WeakPolarHBondContact CA-OD1 3.43Å; K90-N165 VanDerWaalsContact CE-O 3.25Å; K90-N165 WeakPolarHBondContact CE-O 3.24Å; K90-N165 PolarHBondContact N-OD1 2.79Å; K90-N165 VanDerWaalsContact N-OD1 3.1Å; K90-N165 PolarHBondContact NZ-O 3.3Å; N165-L170 HydrophobicContact CB-CD1 3.7Å |
| 166 | N | 81.8 | Confident | 75.7 | Confident | 38 Ų | 38 | 38.7 Ų | 38.7 | 20% | 0.203 | 22% | 0.218 | C | C | . | . | trans | -124.2 | -173.6 | 177.5 | 69.2 | 25.5 | 0 | 0 | 0 | 110 | F91 E168 Y169 | F91-N166 VanDerWaalsContact CD1-O 3.25Å; F91-N166 WeakPolarHBondContact CD1-O 3.3Å; N166-E168 PolarHBondContact O-N 3.48Å; N166-E168 PolarHBondContact OD1-N 3.46Å; N166-Y169 PolarHBondContact N-O 2.87Å; N166-Y169 WeakPolarHBondContact ND2-CE1 3.43Å; N166-Y169 PolarHBondContact OD1-N 2.79Å; N166-Y169 PolarHBondContact OD1-O 3.32Å; N166-Y169 VanDerWaalsContact OD1-O 3.05Å | ||
| 167 | D | 75.9 | Confident | 75.5 | Confident | 117 Ų | 117 | 39.2 Ų | 39.2 | 63% | 0.626 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -79.5 | -4.5 | -173.4 | -51.4 | -25.5 | 0 | 0 | 0 | 113.1 | K90 | K90-D167 VanDerWaalsContact CB-OD1 3.25Å; K90-D167 WeakPolarHBondContact CB-OD1 3.41Å; K90-D167 WeakPolarHBondContact CD-OD1 3.42Å |
| 168 | E | 71.7 | Confident | 74.8 | Confident | 124 Ų | 124 | 37.5 Ų | 37.5 | 58% | 0.579 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -109.9 | -39.9 | -177.7 | -62.4 | -172.2 | 160.5 | 0 | 0 | 112.8 | N166 A197 | N166-E168 PolarHBondContact O-N 3.48Å; N166-E168 PolarHBondContact OD1-N 3.46Å; E168-A197 PolarHBondContact O-N 3.17Å |
| 169 | Y | 82.1 | Confident | 73.7 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 156.1 | -176.5 | 66.5 | -94 | 0 | 0 | 0 | 113.4 | I69 F91 I164 N166 A171 V194 L195 | I69-Y169 HydrophobicContact CD1-CD2 4.3Å; I69-Y169 HydrophobicContact CD1-CE2 3.88Å; I69-Y169 HydrophobicContact CG1-CE2 4.35Å; I69-Y169 HydrophobicContact CG2-CE2 4.33Å; F91-Y169 VanDerWaalsContact CE1-CA 3.5Å; I164-Y169 HydrophobicContact CG2-CE2 4.15Å; N166-Y169 PolarHBondContact N-O 2.87Å; N166-Y169 WeakPolarHBondContact ND2-CE1 3.43Å; N166-Y169 PolarHBondContact OD1-N 2.79Å; N166-Y169 PolarHBondContact OD1-O 3.32Å; N166-Y169 VanDerWaalsContact OD1-O 3.05Å; Y169-A171 HydrophobicContact CD2-CB 3.95Å; Y169-A171 HydrophobicContact CE2-CB 3.9Å; Y169-V194 HydrophobicContact CD2-CG1 3.83Å; Y169-V194 HydrophobicContact CG-CG1 4.1Å; Y169-L195 CarbonylContact C-O 3.59Å; Y169-L195 WeakPolarHBondContact CA-O 3.38Å; Y169-L195 WeakPolarHBondContact CB-O 3.35Å |
| 170 | L | 82.1 | Confident | 72.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118 | 166 | 175.6 | 67.8 | 0 | 0 | 0 | 108.4 | I87 F91 I103 I164 N165 I172 V194 L195 | I87-L170 HydrophobicContact CB-CD2 4.46Å; I87-L170 HydrophobicContact CG2-CD1 3.9Å; I87-L170 HydrophobicContact CG2-CD2 3.81Å; F91-L170 HydrophobicContact CE1-CB 4.36Å; F91-L170 HydrophobicContact CZ-CB 4.18Å; I103-L170 HydrophobicContact CB-CD2 4.44Å; I103-L170 HydrophobicContact CD1-CD2 3.52Å; I164-L170 WeakPolarHBondContact O-CA 3.18Å; N165-L170 HydrophobicContact CB-CD1 3.7Å; L170-I172 HydrophobicContact CD2-CD1 4.05Å; L170-I172 HydrophobicContact CD2-CG1 4.38Å; L170-I172 HydrophobicContact CG-CD1 4.35Å; L170-I172 HydrophobicContact CG-CG1 4.18Å; L170-V194 CarbonylContact O-C 3.51Å; L170-V194 WeakPolarHBondContact O-CA 3.2Å; L170-L195 HydrophobicContact CB-CB 4.5Å; L170-L195 HydrophobicContact CD2-CD1 4.5Å; L170-L195 PolarHBondContact N-O 2.91Å; L170-L195 PolarHBondContact O-N 3.25Å |
| 171 | A | 84.5 | Confident | 70.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I69 F71 T163 I164 Y169 C193 V194 | I69-A171 HydrophobicContact CD1-CB 3.87Å; I69-A171 HydrophobicContact CG2-CB 4.21Å; F71-A171 HydrophobicContact CE1-CB 4.3Å; F71-A171 HydrophobicContact CZ-CB 3.84Å; T163-A171 CarbonylContact C-O 3.46Å; T163-A171 WeakPolarHBondContact CA-O 3.47Å; I164-A171 HydrophobicContact CB-CB 4.36Å; I164-A171 PolarHBondContact N-O 2.99Å; I164-A171 PolarHBondContact O-N 3.18Å; Y169-A171 HydrophobicContact CD2-CB 3.95Å; Y169-A171 HydrophobicContact CE2-CB 3.9Å; A171-C193 CarbonylContact C-O 3.59Å; A171-C193 VanDerWaalsContact CA-O 3.3Å; A171-C193 WeakPolarHBondContact CA-O 3.4Å; A171-V194 HydrophobicContact CB-CG1 4.37Å; A171-V194 HydrophobicContact CB-CG2 4.25Å |
| 172 | I | 81.5 | Confident | 69.1 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 115.2 | -179 | -56.8 | 162.5 | 0 | 0 | 0 | 107.5 | I87 I105 I111 I161 K162 T163 L170 W174 V192 C193 | I87-I172 HydrophobicContact CD1-CD1 4.37Å; I105-I172 HydrophobicContact CD1-CD1 4.16Å; I105-I172 HydrophobicContact CD1-CG2 4.23Å; I111-I172 HydrophobicContact CD1-CD1 4.05Å; I161-I172 HydrophobicContact CD1-CG2 4.4Å; K162-I172 CarbonylContact O-C 3.52Å; K162-I172 WeakPolarHBondContact O-CA 3.34Å; T163-I172 HydrophobicContact CG2-CG1 4.16Å; T163-I172 HydrophobicContact CG2-CG2 4.36Å; L170-I172 HydrophobicContact CD2-CD1 4.05Å; L170-I172 HydrophobicContact CD2-CG1 4.38Å; L170-I172 HydrophobicContact CG-CD1 4.35Å; L170-I172 HydrophobicContact CG-CG1 4.18Å; I172-W174 HydrophobicContact CG2-CE3 4.21Å; I172-V192 CarbonylContact O-C 3.54Å; I172-V192 WeakPolarHBondContact O-CA 3.49Å; I172-C193 PolarHBondContact N-O 3.12Å; I172-C193 PolarHBondContact O-N 3.16Å |
| 173 | E | 81.6 | Confident | 67.1 | Low | 3 Ų | 3 | 63 Ų | 63 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.7 | 174.1 | 177.5 | -179.7 | -136.1 | 0 | 0 | 109.4 | F71 I161 K162 Q190 V191 V192 K206 | F71-E173 HydrophobicContact CD1-CB 3.9Å; F71-E173 HydrophobicContact CE1-CB 3.52Å; F71-E173 HydrophobicContact CE2-CB 4.21Å; F71-E173 HydrophobicContact CG-CB 4.41Å; F71-E173 WeakPolarHBondContact CG-OE2 3.05Å; F71-E173 HydrophobicContact CZ-CB 3.71Å; I161-E173 CarbonylContact C-O 3.46Å; I161-E173 WeakPolarHBondContact CA-O 3.29Å; K162-E173 HydrophobicContact CB-CB 4.26Å; K162-E173 WeakPolarHBondContact CD-OE2 3.35Å; K162-E173 PolarHBondContact N-O 3.36Å; K162-E173 IonicContact NZ-OE2 3.98Å; K162-E173 PolarHBondContact O-N 3.05Å; E173-Q190 HydrophobicContact CG-CG 4.31Å; E173-Q190 PolarHBondContact OE1-NE2 2.86Å; E173-V191 WeakPolarHBondContact CA-O 3.42Å; E173-V192 HydrophobicContact CB-CG2 4.02Å; E173-V192 HydrophobicContact CG-CG2 3.95Å; E173-K206 IonicContact OE1-NZ 3.05Å; E173-K206 PolarHBondContact OE1-NZ 3.38Å |
| 174 | W | 75.9 | Confident | 65.1 | Low | 9 Ų | 9 | 67.2 Ų | 67.2 | 3% | 0.034 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 163.1 | 171.9 | 70.8 | 100.5 | 0 | 0 | 0 | 111.4 | F152 G154 I155 I161 I172 V191 C193 | F152-W174 HydrophobicContact CB-CH2 4.2Å; F152-W174 HydrophobicContact CB-CZ2 4.13Å; F152-W174 AromaticContact CD1-CH2 3.42Å; F152-W174 HydrophobicContact CD1-CH2 3.42Å; F152-W174 VanDerWaalsContact CD1-CH2 3.42Å; F152-W174 AromaticContact CD1-CZ2 3.79Å; F152-W174 HydrophobicContact CD1-CZ2 3.79Å; F152-W174 HydrophobicContact CD2-CH2 4.48Å; F152-W174 AromaticContact CE1-CH2 3.84Å; F152-W174 HydrophobicContact CE1-CH2 3.84Å; F152-W174 AromaticContact CG-CH2 3.76Å; F152-W174 HydrophobicContact CG-CH2 3.76Å; F152-W174 HydrophobicContact CG-CZ2 4.13Å; G154-W174 PolarHBondContact O-NE1 2.77Å; I155-W174 HydrophobicContact CB-CG 4.26Å; I155-W174 HydrophobicContact CD1-CD2 4.17Å; I155-W174 HydrophobicContact CD1-CE3 4.26Å; I155-W174 HydrophobicContact CD1-CG 4.43Å; I155-W174 HydrophobicContact CG1-CB 4.4Å; I155-W174 HydrophobicContact CG1-CD2 3.69Å; I155-W174 HydrophobicContact CG1-CE3 4.27Å; I155-W174 HydrophobicContact CG1-CG 3.74Å; I155-W174 HydrophobicContact CG1-CZ2 4.35Å; I155-W174 HydrophobicContact CG2-CB 3.9Å; I155-W174 HydrophobicContact CG2-CG 4.01Å; I161-W174 HydrophobicContact CG2-CB 3.93Å; I172-W174 HydrophobicContact CG2-CE3 4.21Å; W174-V191 HydrophobicContact CD2-CB 4.24Å; W174-V191 HydrophobicContact CH2-CB 4Å; W174-V191 HydrophobicContact CH2-CG1 3.53Å; W174-V191 HydrophobicContact CZ2-CB 3.69Å; W174-V191 HydrophobicContact CZ2-CG1 3.56Å; W174-V191 HydrophobicContact CZ2-CG2 4.42Å; W174-V191 HydrophobicContact CZ3-CB 4.41Å; W174-V191 HydrophobicContact CZ3-CG1 4.18Å; W174-V191 PolarHBondContact N-O 3.31Å; W174-V191 PolarHBondContact O-N 3.13Å; W174-C193 HydrophobicContact CH2-CB 4.07Å; W174-C193 HydrophobicContact CZ3-CB 3.72Å |
| 175 | S | 69.8 | Low | 63.4 | Low | 43 Ų | 43 | 73.1 Ų | 73.1 | 30% | 0.301 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.7 | 174.7 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | A189 | S175-A189 CarbonylContact C-O 3.44Å; S175-A189 WeakPolarHBondContact CA-O 3.22Å |
| 176 | Y | 63.4 | Low | 61.7 | Low | 94 Ų | 94 | 78.2 Ų | 78.2 | 37% | 0.369 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 123.6 | 178.6 | 173.7 | -95.3 | 0 | 0 | 0 | 110.1 | G154 P156 G178 H188 A189 | G154-Y176 WeakPolarHBondContact O-CD2 3.46Å; P156-Y176 HydrophobicContact CB-CD2 3.92Å; P156-Y176 HydrophobicContact CB-CE2 4.31Å; P156-Y176 HydrophobicContact CG-CD2 3.57Å; P156-Y176 HydrophobicContact CG-CE2 4.41Å; P156-Y176 HydrophobicContact CG-CG 4.35Å; Y176-G178 VanDerWaalsContact CE1-CA 3.48Å; Y176-H188 CarbonylContact O-C 3.54Å; Y176-H188 WeakPolarHBondContact O-CA 3.46Å; Y176-A189 PolarHBondContact N-O 2.97Å; Y176-A189 PolarHBondContact O-N 2.87Å |
| 177 | S | 53.8 | Low | 60.5 | Low | 51 Ų | 51 | 79 Ų | 79 | 36% | 0.357 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 115.3 | 170.2 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | S179 | S177-S179 PolarHBondContact O-N 3.03Å; S177-S179 PolarHBondContact OG-N 2.8Å; S177-S179 PolarHBondContact OG-O 2.83Å |
| 178 | G | 47.9 | Very low | 60 | Low | 41 Ų | 41 | 75.8 Ų | 75.8 | 42% | 0.423 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -70 | -6.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y176 | Y176-G178 VanDerWaalsContact CE1-CA 3.48Š|
| 179 | S | 41.1 | Very low | 59.8 | Low | 38 Ų | 38 | 70.4 Ų | 70.4 | 27% | 0.266 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -129.3 | 125.6 | -178.4 | 70.8 | 0 | 0 | 0 | 0 | 112 | S177 K181 | S177-S179 PolarHBondContact O-N 3.03Å; S177-S179 PolarHBondContact OG-N 2.8Å; S177-S179 PolarHBondContact OG-O 2.83Å; S179-K181 PolarHBondContact O-N 2.85Å |
| 180 | N | 39.4 | Very low | 59.5 | Low | 171 Ų | 171 | 71.1 Ų | 71.1 | 91% | 0.914 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -61.9 | 17.8 | 169.7 | -78.3 | 1.6 | 0 | 0 | 0 | 114.4 | E182 | N180-E182 PolarHBondContact O-N 2.92Š|
| 181 | K | 40 | Very low | 59.2 | Low | 169 Ų | 169 | 71.7 Ų | 71.7 | 74% | 0.735 | 38% | 0.375 | S | S | * | . | trans | -96.1 | 94.3 | 172.9 | -69.1 | -168.4 | 178.3 | -174.9 | 0 | 107.4 | S179 N183 | S179-K181 PolarHBondContact O-N 2.85Å; K181-N183 PolarHBondContact O-N 2.86Å | ||
| 182 | E | 41.4 | Very low | 59 | Low | 193 Ų | 193 | 71.8 Ų | 71.8 | 90% | 0.902 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -13 | -174.8 | -73.4 | 175.9 | 143 | 0 | 0 | 116 | N180 | N180-E182 PolarHBondContact O-N 2.92Š|
| 183 | N | 43.3 | Very low | 58.9 | Low | 144 Ų | 144 | 71.8 Ų | 71.8 | 77% | 0.77 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -6.3 | -166.6 | -70 | -7.6 | 0 | 0 | 0 | 116.7 | K181 | K181-N183 PolarHBondContact O-N 2.86Š|
| 184 | N | 41.7 | Very low | 58.9 | Low | 98 Ų | 98 | 71.8 Ų | 71.8 | 52% | 0.524 | 38% | 0.376 | S | S | . | . | trans | -108.6 | 91.4 | 178 | -82.7 | 10.1 | 0 | 0 | 0 | 111.3 | E186 N187 | N184-E186 PolarHBondContact O-N 3.15Å; N184-N187 PolarHBondContact O-N 3.18Å; N184-N187 VanDerWaalsContact O-N 3.13Å | ||
| 185 | I | 47.2 | Very low | 59.1 | Low | 144 Ų | 144 | 71.6 Ų | 71.6 | 74% | 0.738 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -49.7 | -26.9 | 169.5 | -61 | 168.2 | 0 | 0 | 0 | 110.9 | N187 H188 | I185-N187 PolarHBondContact O-N 3.02Å; I185-H188 PolarHBondContact O-CE1 2.95Å; I185-H188 VanDerWaalsContact O-CE1 3.31Å; I185-H188 PolarHBondContact O-ND1 3.27Å |
| 186 | E | 49.9 | Very low | 59.5 | Low | 149 Ų | 149 | 71.5 Ų | 71.5 | 70% | 0.696 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -68.2 | -16.6 | -177.1 | -65.9 | -174.5 | 160.5 | 0 | 0 | 114.9 | N184 K207 | N184-E186 PolarHBondContact O-N 3.15Å; E186-K207 PolarHBondContact O-NZ 2.83Å |
| 187 | N | 56.7 | Low | 59.9 | Low | 54 Ų | 54 | 68.7 Ų | 68.7 | 29% | 0.289 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -102 | 25.1 | -171.3 | -75.2 | -10.8 | 0 | 0 | 0 | 115.5 | N184 I185 | N184-N187 PolarHBondContact O-N 3.18Å; N184-N187 VanDerWaalsContact O-N 3.13Å; I185-N187 PolarHBondContact O-N 3.02Å |
| 188 | H | 64.7 | Low | 60.6 | Low | 50 Ų | 50 | 70.2 Ų | 70.2 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 137.5 | 171.7 | 66.9 | -83.4 | 0 | 0 | 0 | 111.8 | Y176 I185 | Y176-H188 CarbonylContact O-C 3.54Å; Y176-H188 WeakPolarHBondContact O-CA 3.46Å; I185-H188 PolarHBondContact O-CE1 2.95Å; I185-H188 VanDerWaalsContact O-CE1 3.31Å; I185-H188 PolarHBondContact O-ND1 3.27Å |
| 189 | A | 68 | Low | 61.5 | Low | 11 Ų | 11 | 68.2 Ų | 68.2 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 141.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109 | S175 Y176 K207 | S175-A189 CarbonylContact C-O 3.44Å; S175-A189 WeakPolarHBondContact CA-O 3.22Å; Y176-A189 PolarHBondContact N-O 2.97Å; Y176-A189 PolarHBondContact O-N 2.87Å; A189-K207 CarbonylContact C-O 3.55Å; A189-K207 WeakPolarHBondContact CA-O 3.1Å |
| 190 | Q | 75.2 | Confident | 63.1 | Low | 31 Ų | 31 | 68.5 Ų | 68.5 | 15% | 0.145 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.1 | 177 | -171.9 | 172.2 | 23 | 0 | 0 | 108.1 | E173 K206 K207 | E173-Q190 HydrophobicContact CG-CG 4.31Å; E173-Q190 PolarHBondContact OE1-NE2 2.86Å; Q190-K206 HydrophobicContact CB-CB 4.26Å; Q190-K206 HydrophobicContact CG-CB 4.19Å; Q190-K206 HydrophobicContact CG-CD 4.06Å; Q190-K206 HydrophobicContact CG-CG 4.4Å; Q190-K206 PolarHBondContact O-N 3.44Å; Q190-K207 HydrophobicContact CB-CB 4.03Å; Q190-K207 PolarHBondContact N-O 2.8Å; Q190-K207 PolarHBondContact O-N 2.78Å |
| 191 | V | 76.9 | Confident | 64.8 | Low | 13 Ų | 13 | 60.4 Ų | 60.4 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.6 | -174 | -173.8 | 0 | 0 | 0 | 0 | 109 | E173 W174 I203 Y204 F205 | E173-V191 WeakPolarHBondContact CA-O 3.42Å; W174-V191 HydrophobicContact CD2-CB 4.24Å; W174-V191 HydrophobicContact CH2-CB 4Å; W174-V191 HydrophobicContact CH2-CG1 3.53Å; W174-V191 HydrophobicContact CZ2-CB 3.69Å; W174-V191 HydrophobicContact CZ2-CG1 3.56Å; W174-V191 HydrophobicContact CZ2-CG2 4.42Å; W174-V191 HydrophobicContact CZ3-CB 4.41Å; W174-V191 HydrophobicContact CZ3-CG1 4.18Å; W174-V191 PolarHBondContact N-O 3.31Å; W174-V191 PolarHBondContact O-N 3.13Å; V191-I203 HydrophobicContact CG1-CG2 4.03Å; V191-Y204 WeakPolarHBondContact CA-O 3.1Å; V191-F205 HydrophobicContact CG1-CD1 4.44Å; V191-F205 HydrophobicContact CG1-CE1 4.4Å; V191-F205 HydrophobicContact CG2-CD1 3.93Å; V191-F205 HydrophobicContact CG2-CE1 4.16Å |
| 192 | V | 79.1 | Confident | 66.6 | Low | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.7 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | F71 I172 E173 V194 I203 Y204 | F71-V192 HydrophobicContact CE2-CG1 3.79Å; F71-V192 HydrophobicContact CE2-CG2 4.05Å; F71-V192 HydrophobicContact CZ-CG1 3.59Å; F71-V192 HydrophobicContact CZ-CG2 4.36Å; I172-V192 CarbonylContact O-C 3.54Å; I172-V192 WeakPolarHBondContact O-CA 3.49Å; E173-V192 HydrophobicContact CB-CG2 4.02Å; E173-V192 HydrophobicContact CG-CG2 3.95Å; V192-V194 HydrophobicContact CG1-CG2 4.05Å; V192-I203 CarbonylContact O-C 3.57Å; V192-I203 WeakPolarHBondContact O-CA 3.45Å; V192-Y204 HydrophobicContact CG2-CD1 4.48Å; V192-Y204 PolarHBondContact N-O 3.43Å; V192-Y204 PolarHBondContact O-N 3.12Å |
| 193 | C | 80.1 | Confident | 68.2 | Low | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 137 | 168 | 175.1 | 0 | 0 | 0 | 0 | 109.3 | F152 A171 I172 W174 S202 | F152-C193 HydrophobicContact CE1-CB 4.09Å; F152-C193 HydrophobicContact CE2-CB 3.87Å; F152-C193 WeakPolarHBondContact CE2-SG 3.19Å; F152-C193 HydrophobicContact CZ-CB 3.59Å; F152-C193 WeakPolarHBondContact CZ-SG 3.35Å; A171-C193 CarbonylContact C-O 3.59Å; A171-C193 VanDerWaalsContact CA-O 3.3Å; A171-C193 WeakPolarHBondContact CA-O 3.4Å; I172-C193 PolarHBondContact N-O 3.12Å; I172-C193 PolarHBondContact O-N 3.16Å; W174-C193 HydrophobicContact CH2-CB 4.07Å; W174-C193 HydrophobicContact CZ3-CB 3.72Å; C193-S202 CarbonylContact C-O 3.53Å; C193-S202 WeakPolarHBondContact CA-O 3.08Å |
| 194 | V | 81.2 | Confident | 69.9 | Low | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.2 | 176.9 | -165.3 | 0 | 0 | 0 | 0 | 109.1 | I69 Y169 L170 A171 V192 Y196 I201 S202 | I69-V194 HydrophobicContact CD1-CB 4.24Å; I69-V194 HydrophobicContact CD1-CG1 3.82Å; I69-V194 HydrophobicContact CD1-CG2 3.33Å; Y169-V194 HydrophobicContact CD2-CG1 3.83Å; Y169-V194 HydrophobicContact CG-CG1 4.1Å; L170-V194 CarbonylContact O-C 3.51Å; L170-V194 WeakPolarHBondContact O-CA 3.2Å; A171-V194 HydrophobicContact CB-CG1 4.37Å; A171-V194 HydrophobicContact CB-CG2 4.25Å; V192-V194 HydrophobicContact CG1-CG2 4.05Å; V194-Y196 HydrophobicContact CB-CE2 4.11Å; V194-Y196 HydrophobicContact CG1-CD1 4.47Å; V194-Y196 HydrophobicContact CG1-CE1 3.77Å; V194-Y196 HydrophobicContact CG1-CE2 3.93Å; V194-Y196 VanDerWaalsContact CG1-CZ 3.44Å; V194-Y196 WeakPolarHBondContact CG1-OH 3.32Å; V194-I201 CarbonylContact O-C 3.56Å; V194-I201 WeakPolarHBondContact O-CA 3.38Å; V194-S202 PolarHBondContact N-O 3.15Å; V194-S202 PolarHBondContact O-N 3.46Å |
| 195 | L | 80.1 | Confident | 71.5 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124 | 179.5 | -58.7 | 173.4 | 0 | 0 | 0 | 108.2 | F93 I103 Y169 L170 I201 | F93-L195 HydrophobicContact CD2-CB 4.32Å; F93-L195 HydrophobicContact CE2-CB 3.87Å; F93-L195 HydrophobicContact CE2-CD2 4.43Å; F93-L195 HydrophobicContact CZ-CB 4.49Å; F93-L195 HydrophobicContact CZ-CD2 4.28Å; I103-L195 HydrophobicContact CD1-CD1 3.45Å; I103-L195 VanDerWaalsContact CD1-CD1 3.45Å; I103-L195 HydrophobicContact CG2-CD1 4.44Å; Y169-L195 CarbonylContact C-O 3.59Å; Y169-L195 WeakPolarHBondContact CA-O 3.38Å; Y169-L195 WeakPolarHBondContact CB-O 3.35Å; L170-L195 HydrophobicContact CB-CB 4.5Å; L170-L195 HydrophobicContact CD2-CD1 4.5Å; L170-L195 PolarHBondContact N-O 2.91Å; L170-L195 PolarHBondContact O-N 3.25Å; L195-I201 HydrophobicContact CD2-CB 4.14Å; L195-I201 HydrophobicContact CD2-CD1 3.94Å; L195-I201 HydrophobicContact CD2-CG1 3.63Å; L195-I201 HydrophobicContact CD2-CG2 3.79Å |
| 196 | Y | 78.6 | Confident | 72.9 | Confident | 42 Ų | 42 | 30.7 Ų | 30.7 | 17% | 0.165 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 152.8 | -176.8 | -59.1 | -83.6 | 0 | 0 | 0 | 111.4 | L42 F93 V194 N198 G199 N200 S202 | L42-Y196 HydrophobicContact CD1-CE1 4.49Å; L42-Y196 WeakPolarHBondContact CD1-OH 3.36Å; F93-Y196 WeakPolarHBondContact CD2-O 3.46Å; F93-Y196 WeakPolarHBondContact CE2-O 3.34Å; V194-Y196 HydrophobicContact CB-CE2 4.11Å; V194-Y196 HydrophobicContact CG1-CD1 4.47Å; V194-Y196 HydrophobicContact CG1-CE1 3.77Å; V194-Y196 HydrophobicContact CG1-CE2 3.93Å; V194-Y196 VanDerWaalsContact CG1-CZ 3.44Å; V194-Y196 WeakPolarHBondContact CG1-OH 3.32Å; Y196-N198 WeakPolarHBondContact CB-OD1 3.45Å; Y196-N198 PolarHBondContact O-N 3.04Å; Y196-G199 PolarHBondContact O-N 2.67Å; Y196-N200 HydrophobicContact CD2-CB 3.78Å; Y196-N200 WeakPolarHBondContact CD2-O 3.38Å; Y196-N200 HydrophobicContact CG-CB 4.47Å; Y196-N200 PolarHBondContact N-O 3.4Å; Y196-N200 VanDerWaalsContact N-O 3.1Å; Y196-S202 WeakPolarHBondContact CE2-OG 3.38Å |
| 197 | A | 70.9 | Confident | 74.1 | Confident | 35 Ų | 35 | 27.2 Ų | 27.2 | 29% | 0.289 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F91 E168 G199 | F91-A197 HydrophobicContact CB-CB 4.23Å; F91-A197 VanDerWaalsContact CD2-CA 3.47Å; F91-A197 HydrophobicContact CD2-CB 3.57Å; F91-A197 HydrophobicContact CE2-CB 4.15Å; F91-A197 HydrophobicContact CG-CB 3.96Å; E168-A197 PolarHBondContact O-N 3.17Å; A197-G199 VanDerWaalsContact C-N 3.27Å; A197-G199 PolarHBondContact O-N 2.81Å |
| 198 | N | 68.8 | Low | 74.7 | Confident | 82 Ų | 82 | 24.8 Ų | 24.8 | 44% | 0.439 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -0.8 | 178.2 | 73.3 | -15.2 | 0 | 0 | 0 | 114.7 | Y196 N200 | Y196-N198 WeakPolarHBondContact CB-OD1 3.45Å; Y196-N198 PolarHBondContact O-N 3.04Å; N198-N200 PolarHBondContact ND2-ND2 3.05Å; N198-N200 VanDerWaalsContact ND2-ND2 3.12Å; N198-N200 WeakPolarHBondContact OD1-CB 3.24Å; N198-N200 PolarHBondContact OD1-N 3.35Å; N198-N200 VanDerWaalsContact OD1-N 3.07Å |
| 199 | G | 67.7 | Low | 74.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 91.7 | -2.7 | -180 | 0 | 0 | 0 | 0 | 0 | 116.5 | F94 Y196 A197 P280 | F94-G199 WeakPolarHBondContact O-CA 3.17Å; F94-G199 PolarHBondContact O-N 3.46Å; Y196-G199 PolarHBondContact O-N 2.67Å; A197-G199 VanDerWaalsContact C-N 3.27Å; A197-G199 PolarHBondContact O-N 2.81Å; G199-P280 WeakPolarHBondContact O-CD 3.39Å |
| 200 | N | 73.9 | Confident | 74.3 | Confident | 44 Ų | 44 | 28.1 Ų | 28.1 | 24% | 0.235 | 14% | 0.143 | C | C | . | . | trans | -67 | 150.7 | 173.2 | -67.8 | -3.3 | 0 | 0 | 0 | 110.1 | Y196 N198 Y278 S279 | Y196-N200 HydrophobicContact CD2-CB 3.78Å; Y196-N200 WeakPolarHBondContact CD2-O 3.38Å; Y196-N200 HydrophobicContact CG-CB 4.47Å; Y196-N200 PolarHBondContact N-O 3.4Å; Y196-N200 VanDerWaalsContact N-O 3.1Å; N198-N200 PolarHBondContact ND2-ND2 3.05Å; N198-N200 VanDerWaalsContact ND2-ND2 3.12Å; N198-N200 WeakPolarHBondContact OD1-CB 3.24Å; N198-N200 PolarHBondContact OD1-N 3.35Å; N198-N200 VanDerWaalsContact OD1-N 3.07Å; N200-Y278 WeakPolarHBondContact CA-O 3.4Å; N200-S279 PolarHBondContact OD1-OG 3.12Å | ||
| 201 | I | 76.2 | Confident | 73.4 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124 | 177.6 | -53.4 | -177.8 | 0 | 0 | 0 | 107.8 | F93 Y95 I149 V194 L195 I203 I263 E277 Y278 | F93-I201 HydrophobicContact CZ-CG1 4.45Å; Y95-I201 HydrophobicContact CD2-CD1 4.37Å; Y95-I201 HydrophobicContact CE2-CD1 3.85Å; I149-I201 HydrophobicContact CD1-CD1 3.74Å; I149-I201 HydrophobicContact CG2-CD1 4.48Å; V194-I201 CarbonylContact O-C 3.56Å; V194-I201 WeakPolarHBondContact O-CA 3.38Å; L195-I201 HydrophobicContact CD2-CB 4.14Å; L195-I201 HydrophobicContact CD2-CD1 3.94Å; L195-I201 HydrophobicContact CD2-CG1 3.63Å; L195-I201 HydrophobicContact CD2-CG2 3.79Å; I201-I203 HydrophobicContact CG2-CG1 4.49Å; I201-I263 HydrophobicContact CD1-CD1 4.19Å; I201-E277 CarbonylContact O-C 3.59Å; I201-E277 WeakPolarHBondContact O-CA 3.41Å; I201-Y278 PolarHBondContact N-O 3.24Å; I201-Y278 PolarHBondContact O-N 2.83Å |
| 202 | S | 76.4 | Confident | 72.4 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.4 | 173 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | C193 V194 Y196 I276 E277 | C193-S202 CarbonylContact C-O 3.53Å; C193-S202 WeakPolarHBondContact CA-O 3.08Å; V194-S202 PolarHBondContact N-O 3.15Å; V194-S202 PolarHBondContact O-N 3.46Å; Y196-S202 WeakPolarHBondContact CE2-OG 3.38Å; S202-I276 CarbonylContact C-O 3.52Å; S202-I276 WeakPolarHBondContact CA-O 3.43Å; S202-E277 PolarHBondContact OG-OE1 2.9Å; S202-E277 VanDerWaalsContact OG-OE1 3.06Å |
| 203 | I | 75.9 | Confident | 71.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 118 | 179.9 | -51.9 | -179.9 | 0 | 0 | 0 | 108.4 | F152 V191 V192 I201 F205 I265 L275 I276 Y278 | F152-I203 HydrophobicContact CD1-CD1 4.42Å; F152-I203 HydrophobicContact CE1-CB 4.31Å; F152-I203 HydrophobicContact CE1-CD1 3.33Å; F152-I203 HydrophobicContact CE1-CG1 3.58Å; F152-I203 HydrophobicContact CE1-CG2 3.85Å; F152-I203 HydrophobicContact CZ-CD1 3.5Å; F152-I203 VanDerWaalsContact CZ-CD1 3.5Å; F152-I203 HydrophobicContact CZ-CG1 3.56Å; V191-I203 HydrophobicContact CG1-CG2 4.03Å; V192-I203 CarbonylContact O-C 3.57Å; V192-I203 WeakPolarHBondContact O-CA 3.45Å; I201-I203 HydrophobicContact CG2-CG1 4.49Å; I203-F205 HydrophobicContact CG2-CD2 4.47Å; I203-F205 HydrophobicContact CG2-CE2 3.94Å; I203-F205 HydrophobicContact CG2-CZ 4.04Å; I203-I265 HydrophobicContact CD1-CD1 3.65Å; I203-I265 HydrophobicContact CD1-CG1 4.4Å; I203-I265 HydrophobicContact CG2-CD1 4.35Å; I203-L275 CarbonylContact O-C 3.52Å; I203-L275 WeakPolarHBondContact O-CA 3.28Å; I203-I276 PolarHBondContact N-O 2.74Å; I203-I276 PolarHBondContact O-N 2.79Å; I203-Y278 HydrophobicContact CD1-CD2 4.17Å; I203-Y278 HydrophobicContact CD1-CE2 3.55Å; I203-Y278 HydrophobicContact CG1-CD2 4.45Å; I203-Y278 HydrophobicContact CG1-CE2 4.14Å |
| 204 | Y | 78.1 | Confident | 69.4 | Low | 22 Ų | 22 | 39.5 Ų | 39.5 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 119.9 | 177.2 | -179.1 | -120.8 | 0 | 0 | 0 | 111.6 | Q65 C67 V191 V192 K206 T274 L275 | Q65-Y204 WeakPolarHBondContact O-CE2 3.23Å; Q65-Y204 VanDerWaalsContact O-CZ 3.28Å; Q65-Y204 PolarHBondContact O-OH 3.18Å; C67-Y204 HydrophobicContact CB-CD1 3.27Å; C67-Y204 HydrophobicContact CB-CD2 4.3Å; C67-Y204 HydrophobicContact CB-CE1 3.56Å; C67-Y204 HydrophobicContact CB-CG 3.66Å; V191-Y204 WeakPolarHBondContact CA-O 3.1Å; V192-Y204 HydrophobicContact CG2-CD1 4.48Å; V192-Y204 PolarHBondContact N-O 3.43Å; V192-Y204 PolarHBondContact O-N 3.12Å; Y204-K206 HydrophobicContact CD1-CB 3.78Å; Y204-K206 VanDerWaalsContact CE1-CA 3.42Å; Y204-K206 HydrophobicContact CE1-CB 3.53Å; Y204-K206 HydrophobicContact CE1-CD 4.46Å; Y204-K206 HydrophobicContact CE1-CG 3.93Å; Y204-K206 PolarHBondContact O-N 2.82Å; Y204-T274 WeakPolarHBondContact CA-O 3.26Å; Y204-T274 WeakPolarHBondContact CD2-O 2.99Å; Y204-L275 HydrophobicContact CD2-CB 4.19Å; Y204-L275 HydrophobicContact CD2-CD1 4.29Å; Y204-L275 HydrophobicContact CG-CD1 4.47Å |
| 205 | F | 76 | Confident | 67.6 | Low | 11 Ų | 11 | 47.3 Ų | 47.3 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 82.7 | 172.2 | -66.9 | -78.1 | 0 | 0 | 0 | 109.6 | V191 I203 K207 V208 I265 V270 K271 S272 G273 T274 I276 | V191-F205 HydrophobicContact CG1-CD1 4.44Å; V191-F205 HydrophobicContact CG1-CE1 4.4Å; V191-F205 HydrophobicContact CG2-CD1 3.93Å; V191-F205 HydrophobicContact CG2-CE1 4.16Å; I203-F205 HydrophobicContact CG2-CD2 4.47Å; I203-F205 HydrophobicContact CG2-CE2 3.94Å; I203-F205 HydrophobicContact CG2-CZ 4.04Å; F205-K207 VanDerWaalsContact C-N 3.34Å; F205-K207 PolarHBondContact O-N 2.95Å; F205-V208 HydrophobicContact CB-CG2 3.84Å; F205-V208 HydrophobicContact CD1-CG2 3.99Å; F205-V208 HydrophobicContact CG-CG2 4.26Å; F205-I265 HydrophobicContact CE2-CD1 4.19Å; F205-I265 HydrophobicContact CE2-CG2 4.25Å; F205-I265 HydrophobicContact CZ-CD1 3.71Å; F205-I265 HydrophobicContact CZ-CG2 4.23Å; F205-V270 HydrophobicContact CD1-CG1 4.15Å; F205-V270 HydrophobicContact CE1-CG1 3.94Å; F205-V270 HydrophobicContact CZ-CG1 4.36Å; F205-V270 HydrophobicContact CZ-CG2 4.3Å; F205-K271 VanDerWaalsContact CB-O 3.31Å; F205-K271 WeakPolarHBondContact CB-O 3.45Å; F205-S272 CarbonylContact O-C 3.57Å; F205-S272 WeakPolarHBondContact O-CA 3.33Å; F205-G273 PolarHBondContact O-N 3.18Å; F205-T274 PolarHBondContact N-O 2.76Å; F205-I276 HydrophobicContact CE2-CD1 3.82Å; F205-I276 HydrophobicContact CE2-CG1 4.42Å |
| 206 | K | 75.7 | Confident | 65.7 | Low | 90 Ų | 90 | 47.4 Ų | 47.4 | 39% | 0.391 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | -42.4 | -177.6 | -179.5 | 166.7 | 165.9 | -174.6 | 0 | 112.7 | E173 Q190 Y204 | E173-K206 IonicContact OE1-NZ 3.05Å; E173-K206 PolarHBondContact OE1-NZ 3.38Å; Q190-K206 HydrophobicContact CB-CB 4.26Å; Q190-K206 HydrophobicContact CG-CB 4.19Å; Q190-K206 HydrophobicContact CG-CD 4.06Å; Q190-K206 HydrophobicContact CG-CG 4.4Å; Q190-K206 PolarHBondContact O-N 3.44Å; Y204-K206 HydrophobicContact CD1-CB 3.78Å; Y204-K206 VanDerWaalsContact CE1-CA 3.42Å; Y204-K206 HydrophobicContact CE1-CB 3.53Å; Y204-K206 HydrophobicContact CE1-CD 4.46Å; Y204-K206 HydrophobicContact CE1-CG 3.93Å; Y204-K206 PolarHBondContact O-N 2.82Å |
| 207 | K | 75.1 | Confident | 63.7 | Low | 75 Ų | 75 | 52.8 Ų | 52.8 | 33% | 0.326 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 130.5 | 175.8 | -170.5 | -177.4 | 178.5 | -169.6 | 0 | 109.2 | E186 A189 Q190 F205 | E186-K207 PolarHBondContact O-NZ 2.83Å; A189-K207 CarbonylContact C-O 3.55Å; A189-K207 WeakPolarHBondContact CA-O 3.1Å; Q190-K207 HydrophobicContact CB-CB 4.03Å; Q190-K207 PolarHBondContact N-O 2.8Å; Q190-K207 PolarHBondContact O-N 2.78Å; F205-K207 VanDerWaalsContact C-N 3.34Å; F205-K207 PolarHBondContact O-N 2.95Å |
| 208 | V | 70.7 | Confident | 61.8 | Low | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | trans | -132.3 | 116.4 | 171.5 | -176.1 | 0 | 0 | 0 | 0 | 106.5 | F205 L212 E213 V270 S272 | F205-V208 HydrophobicContact CB-CG2 3.84Å; F205-V208 HydrophobicContact CD1-CG2 3.99Å; F205-V208 HydrophobicContact CG-CG2 4.26Å; V208-L212 HydrophobicContact CG1-CB 3.92Å; V208-E213 HydrophobicContact CB-CG 4.08Å; V208-E213 HydrophobicContact CG1-CG 3.7Å; V208-V270 HydrophobicContact CG1-CG1 4.21Å; V208-V270 HydrophobicContact CG2-CG1 4.28Å; V208-S272 PolarHBondContact N-OG 3.05Å; V208-S272 PolarHBondContact O-OG 2.64Å | ||
| 209 | P | 61.6 | Low | 60 | Low | 12 Ų | 12 | 51.6 Ų | 51.6 | 8% | 0.078 | 27% | 0.273 | C | S | . | . | trans | -58.7 | 140.3 | 175.5 | -23.6 | 31.2 | 0 | 0 | 0 | 111.5 | S211 L212 E213 | P209-S211 PolarHBondContact O-N 3.09Å; P209-L212 HydrophobicContact CB-CD1 4.15Å; P209-L212 HydrophobicContact CG-CD1 3.83Å; P209-L212 WeakPolarHBondContact O-CA 3.05Å; P209-L212 WeakPolarHBondContact O-CB 3.35Å; P209-L212 PolarHBondContact O-N 2.8Å; P209-E213 PolarHBondContact O-N 2.77Å; P209-E213 VanDerWaalsContact O-N 3.15Å | ||
| 210 | D | 62.3 | Low | 58.1 | Low | 120 Ų | 120 | 56.7 Ų | 56.7 | 64% | 0.642 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -53.2 | -31.2 | 178.9 | -57.4 | -9.2 | 0 | 0 | 0 | 113.2 | L212 E213 | D210-L212 PolarHBondContact O-N 2.84Å; D210-E213 PolarHBondContact O-N 2.8Å |
| 211 | S | 57.1 | Low | 56 | Low | 71 Ų | 71 | 57.4 Ų | 57.4 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.3 | -25.1 | 175.8 | 68.7 | 0 | 0 | 0 | 0 | 113.6 | P209 | P209-S211 PolarHBondContact O-N 3.09Å |
| 212 | L | 54.8 | Low | 53.4 | Low | 28 Ų | 28 | 67.8 Ų | 67.8 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -88.8 | -44.5 | 172.3 | -76.1 | 142.8 | 0 | 0 | 0 | 110.3 | V208 P209 D210 N214 K215 V216 L219 | V208-L212 HydrophobicContact CG1-CB 3.92Å; P209-L212 HydrophobicContact CB-CD1 4.15Å; P209-L212 HydrophobicContact CG-CD1 3.83Å; P209-L212 WeakPolarHBondContact O-CA 3.05Å; P209-L212 WeakPolarHBondContact O-CB 3.35Å; P209-L212 PolarHBondContact O-N 2.8Å; D210-L212 PolarHBondContact O-N 2.84Å; L212-N214 PolarHBondContact O-N 2.79Å; L212-K215 PolarHBondContact O-N 2.94Å; L212-V216 WeakPolarHBondContact O-CG2 3.4Å; L212-V216 PolarHBondContact O-N 2.83Å; L212-L219 HydrophobicContact CB-CD1 4.43Å; L212-L219 HydrophobicContact CD2-CD1 3.52Å |
| 213 | E | 51.1 | Low | 51 | Low | 40 Ų | 40 | 70.2 Ų | 70.2 | 19% | 0.187 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -52.7 | -27.1 | -175 | -65.5 | -162.4 | 165.1 | 0 | 0 | 114.9 | V208 P209 D210 V216 K271 S272 | V208-E213 HydrophobicContact CB-CG 4.08Å; V208-E213 HydrophobicContact CG1-CG 3.7Å; P209-E213 PolarHBondContact O-N 2.77Å; P209-E213 VanDerWaalsContact O-N 3.15Å; D210-E213 PolarHBondContact O-N 2.8Å; E213-V216 VanDerWaalsContact C-CG2 3.49Å; E213-V216 VanDerWaalsContact O-CG2 3.24Å; E213-V216 WeakPolarHBondContact O-CG2 2.75Å; E213-K271 HydrophobicContact CG-CG 4.42Å; E213-K271 WeakPolarHBondContact OE1-CA 2.84Å; E213-S272 PolarHBondContact OE1-N 3.43Å; E213-S272 PolarHBondContact OE1-OG 3.2Å |
| 214 | N | 45.5 | Very low | 48.4 | Very low | 146 Ų | 146 | 72.5 Ų | 72.5 | 78% | 0.781 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -4.3 | 180 | -66.8 | -42.4 | 0 | 0 | 0 | 114.9 | L212 | L212-N214 PolarHBondContact O-N 2.79Š|
| 215 | K | 43.2 | Very low | 45.6 | Very low | 167 Ų | 167 | 81.7 Ų | 81.7 | 73% | 0.726 | 43% | 0.425 | S | S | * | . | trans | -105 | 11 | 175.9 | -74.2 | -172.6 | 177.6 | 179.3 | 0 | 112.8 | L212 D217 G218 | L212-K215 PolarHBondContact O-N 2.94Å; K215-D217 PolarHBondContact O-N 2.81Å; K215-G218 PolarHBondContact O-N 2.63Å | ||
| 216 | V | 39.5 | Very low | 43.3 | Very low | 6 Ų | 6 | 85.5 Ų | 85.5 | 4% | 0.036 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -69.6 | -3.2 | -166.6 | -157.9 | 0 | 0 | 0 | 0 | 113.7 | L212 E213 G218 L219 P267 V270 | L212-V216 WeakPolarHBondContact O-CG2 3.4Å; L212-V216 PolarHBondContact O-N 2.83Å; E213-V216 VanDerWaalsContact C-CG2 3.49Å; E213-V216 VanDerWaalsContact O-CG2 3.24Å; E213-V216 WeakPolarHBondContact O-CG2 2.75Å; V216-G218 PolarHBondContact O-N 2.88Å; V216-L219 HydrophobicContact CB-CB 4.25Å; V216-L219 HydrophobicContact CG1-CB 3.29Å; V216-L219 HydrophobicContact CG1-CG 4.44Å; V216-L219 PolarHBondContact O-N 3.24Å; V216-P267 HydrophobicContact CB-CB 3.68Å; V216-P267 WeakPolarHBondContact CB-O 3.3Å; V216-P267 HydrophobicContact CG1-CB 3.71Å; V216-P267 HydrophobicContact CG1-CG 4.48Å; V216-P267 WeakPolarHBondContact CG1-O 3.29Å; V216-P267 WeakPolarHBondContact O-CB 3.26Å; V216-P267 WeakPolarHBondContact O-CG 3.49Å; V216-V270 HydrophobicContact CG1-CB 3.72Å; V216-V270 HydrophobicContact CG1-CG1 4.3Å; V216-V270 HydrophobicContact CG1-CG2 3.67Å; V216-V270 HydrophobicContact CG2-CB 4.29Å |
| 217 | D | 37.5 | Very low | 40.7 | Very low | 154 Ų | 154 | 87.4 Ų | 87.4 | 82% | 0.824 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -51.3 | -22 | 160.7 | -79.6 | -15.1 | 0 | 0 | 0 | 111.5 | K215 | K215-D217 PolarHBondContact O-N 2.81Š|
| 218 | G | 30.3 | Very low | 38.4 | Very low | 43 Ų | 43 | 92.2 Ų | 92.2 | 44% | 0.443 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -114.7 | 10.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | K215 V216 M220 | K215-G218 PolarHBondContact O-N 2.63Å; V216-G218 PolarHBondContact O-N 2.88Å; G218-M220 CarbonylContact O-C 3.43Å; G218-M220 PolarHBondContact O-N 2.78Å |
| 219 | L | 30.9 | Very low | 36.3 | Very low | 49 Ų | 49 | 100.4 Ų | 100.4 | 26% | 0.257 | 52% | 0.52 | S | S | . | . | trans | -87.6 | 30 | 158.3 | -133.7 | 132.4 | 0 | 0 | 0 | 110 | L212 V216 L221 V270 | L212-L219 HydrophobicContact CB-CD1 4.43Å; L212-L219 HydrophobicContact CD2-CD1 3.52Å; V216-L219 HydrophobicContact CB-CB 4.25Å; V216-L219 HydrophobicContact CG1-CB 3.29Å; V216-L219 HydrophobicContact CG1-CG 4.44Å; V216-L219 PolarHBondContact O-N 3.24Å; L219-L221 HydrophobicContact CD2-CD2 4.44Å; L219-L221 PolarHBondContact O-N 2.69Å; L219-V270 HydrophobicContact CD1-CG1 4.43Å; L219-V270 HydrophobicContact CD2-CG1 4.19Å | ||
| 220 | M | 28 | Very low | 34.5 | Very low | 107 Ų | 107 | 106.8 Ų | 106.8 | 53% | 0.527 | 55% | 0.553 | S | S | . | * | S | Bend | -48 | 85 | 117.3 | -74.7 | -163.4 | 162.9 | 0 | 0 | 107.8 | G218 R222 | G218-M220 CarbonylContact O-C 3.43Å; G218-M220 PolarHBondContact O-N 2.78Å; M220-R222 WeakPolarHBondContact O-CA 3.33Å; M220-R222 PolarHBondContact O-N 2.9Å | |
| 221 | L | 29.9 | Very low | 32.9 | Very low | 59 Ų | 59 | 107.7 Ų | 107.7 | 31% | 0.309 | 56% | 0.558 | S | S | . | * | -2.8 | 78.3 | 129.7 | -76.6 | -174.1 | 0 | 0 | 0 | 111.1 | N153 L219 A223 | N153-L221 HydrophobicContact CB-CB 3.55Å; N153-L221 HydrophobicContact CB-CD1 4.22Å; N153-L221 HydrophobicContact CB-CD2 3.95Å; N153-L221 HydrophobicContact CB-CG 4.08Å; N153-L221 PolarHBondContact ND2-O 3.48Å; N153-L221 VanDerWaalsContact ND2-O 3.14Å; N153-L221 WeakPolarHBondContact O-CD2 3.13Å; L219-L221 HydrophobicContact CD2-CD2 4.44Å; L219-L221 PolarHBondContact O-N 2.69Å; L221-A223 VanDerWaalsContact C-N 3.35Å; L221-A223 PolarHBondContact O-N 2.75Å | |||
| 222 | R | 22.7 | Very low | 31.3 | Very low | 219 Ų | 219 | 113 Ų | 113 | 83% | 0.826 | 58% | 0.575 | S | S | * | * | trans | -57.7 | 103.9 | -153.9 | -97.2 | -174.7 | -179.6 | -174.4 | -0.6 | 107.4 | N153 M220 G224 | N153-R222 PolarHBondContact ND2-O 2.65Å; M220-R222 WeakPolarHBondContact O-CA 3.33Å; M220-R222 PolarHBondContact O-N 2.9Å; R222-G224 PolarHBondContact O-N 3.1Å | ||
| 223 | A | 24.6 | Very low | 29.9 | Very low | 53 Ų | 53 | 116.3 Ų | 116.3 | 44% | 0.438 | 60% | 0.599 | S | S | . | * | trans | -56.1 | 117.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 104 | L221 K225 F226 | L221-A223 VanDerWaalsContact C-N 3.35Å; L221-A223 PolarHBondContact O-N 2.75Å; A223-K225 PolarHBondContact O-N 3.38Å; A223-F226 HydrophobicContact CB-CD2 3.64Å; A223-F226 HydrophobicContact CB-CE2 3.87Å | ||
| 224 | G | 21 | Very low | 28.5 | Very low | 47 Ų | 47 | 121.6 Ų | 121.6 | 49% | 0.485 | 63% | 0.626 | S | S | . | * | trans | -45.7 | 135.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | R222 F226 | R222-G224 PolarHBondContact O-N 3.1Å; G224-F226 VanDerWaalsContact C-N 3.34Å; G224-F226 WeakPolarHBondContact O-CD2 3.3Å; G224-F226 WeakPolarHBondContact O-CE2 3.12Å; G224-F226 VanDerWaalsContact O-CG 3.25Å; G224-F226 WeakPolarHBondContact O-CG 3.38Å; G224-F226 PolarHBondContact O-N 3.06Å | ||
| 225 | K | 21 | Very low | 27.4 | Very low | 215 Ų | 215 | 121.1 Ų | 121.1 | 94% | 0.935 | 62% | 0.623 | S | S | * | * | trans | -28.1 | 88.8 | -175.4 | -162.3 | -178.3 | -172.4 | -176.7 | 0 | 112.8 | A223 | A223-K225 PolarHBondContact O-N 3.38Š| ||
| 226 | F | 25.9 | Very low | 26.4 | Very low | 91 Ų | 91 | 116 Ų | 116 | 40% | 0.399 | 61% | 0.608 | S | S | . | * | trans | -93.7 | 121.7 | 176.9 | -73.7 | -71.7 | 0 | 0 | 0 | 105.8 | A223 G224 E228 A255 | A223-F226 HydrophobicContact CB-CD2 3.64Å; A223-F226 HydrophobicContact CB-CE2 3.87Å; G224-F226 VanDerWaalsContact C-N 3.34Å; G224-F226 WeakPolarHBondContact O-CD2 3.3Å; G224-F226 WeakPolarHBondContact O-CE2 3.12Å; G224-F226 VanDerWaalsContact O-CG 3.25Å; G224-F226 WeakPolarHBondContact O-CG 3.38Å; G224-F226 PolarHBondContact O-N 3.06Å; F226-E228 PolarHBondContact O-N 3.41Å; F226-A255 HydrophobicContact CE1-CB 3.73Å | ||
| 227 | T | 22.7 | Very low | 25.6 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | trans | -63.3 | 102.6 | 161.7 | 38.6 | 0 | 0 | 0 | 0 | 106.8 | K229 | T227-K229 PolarHBondContact O-N 2.83Š| ||
| 228 | E | 25.9 | Very low | 24.9 | Very low | 175 Ų | 175 | 121 Ų | 121 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | trans | -49.9 | 111 | 157.1 | -119.7 | 167.5 | 179.3 | 0 | 0 | 106.1 | F226 | F226-E228 PolarHBondContact O-N 3.41Š| ||
| 229 | K | 25.8 | Very low | 24.5 | Very low | 175 Ų | 175 | 126.1 Ų | 126.1 | 76% | 0.761 | 65% | 0.647 | S | S | * | * | trans | -85.2 | 127.3 | 153.9 | -87 | -172.8 | 173.9 | -178.5 | 0 | 104.9 | T227 D231 | T227-K229 PolarHBondContact O-N 2.83Å; K229-D231 PolarHBondContact O-N 3.37Å | ||
| 230 | D | 25.1 | Very low | 24.2 | Very low | 146 Ų | 146 | 127.6 Ų | 127.6 | 78% | 0.781 | 66% | 0.658 | S | S | * | * | trans | -64.4 | 46.3 | -177.4 | -67 | -49.6 | 0 | 0 | 0 | 113.7 | E232 | D230-E232 PolarHBondContact O-N 3.13Š| ||
| 231 | D | 27.5 | Very low | 24.3 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | trans | -82.9 | 79 | 169.3 | -68.6 | -21.5 | 0 | 0 | 0 | 107.8 | K229 C233 | K229-D231 PolarHBondContact O-N 3.37Å; D231-C233 PolarHBondContact O-N 3.33Å | ||
| 232 | E | 24 | Very low | 24.2 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 86% | 0.855 | 69% | 0.693 | S | S | * | * | trans | 7.3 | 66.7 | 159.8 | -65 | -175.3 | 154.5 | 0 | 0 | 117 | D230 M234 | D230-E232 PolarHBondContact O-N 3.13Å; E232-M234 VanDerWaalsContact C-N 3.33Å; E232-M234 PolarHBondContact O-N 2.88Å; E232-M234 VanDerWaalsContact O-N 3.08Å | ||
| 233 | C | 24.8 | Very low | 24.2 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 66% | 0.655 | 68% | 0.683 | S | S | * | * | trans | -84.4 | 82.7 | 167.4 | -112.5 | 0 | 0 | 0 | 0 | 109.2 | D231 L235 | D231-C233 PolarHBondContact O-N 3.33Å; C233-L235 PolarHBondContact O-N 2.83Å; C233-L235 VanDerWaalsContact O-N 3.14Å | ||
| 234 | M | 21.6 | Very low | 24.1 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 74% | 0.744 | 70% | 0.699 | S | S | * | * | trans | -49.7 | 115.1 | 173.8 | -83.3 | -90.4 | -149.1 | 0 | 0 | 111.8 | E232 S236 R249 | E232-M234 VanDerWaalsContact C-N 3.33Å; E232-M234 PolarHBondContact O-N 2.88Å; E232-M234 VanDerWaalsContact O-N 3.08Å; M234-S236 PolarHBondContact O-N 3.07Å; M234-S236 VanDerWaalsContact O-N 3.1Å; M234-R249 PolarHBondContact O-NH1 2.79Å | ||
| 235 | L | 22.6 | Very low | 24.1 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 72% | 0.717 | 70% | 0.7 | S | S | * | * | trans | -67.7 | 93.2 | 158.6 | -93.5 | 152.3 | 0 | 0 | 0 | 108.1 | C233 F237 | C233-L235 PolarHBondContact O-N 2.83Å; C233-L235 VanDerWaalsContact O-N 3.14Å; L235-F237 HydrophobicContact CB-CD2 4.28Å; L235-F237 HydrophobicContact CB-CE2 4.03Å; L235-F237 HydrophobicContact CD2-CE2 4.37Å; L235-F237 PolarHBondContact O-N 3.48Å | ||
| 236 | S | 23 | Very low | 24.3 | Very low | 59 Ų | 59 | 134.7 Ų | 134.7 | 41% | 0.413 | 68% | 0.684 | S | S | . | * | trans | -74.9 | 95.2 | 169.6 | 65.7 | 0 | 0 | 0 | 0 | 108.9 | M234 V238 | M234-S236 PolarHBondContact O-N 3.07Å; M234-S236 VanDerWaalsContact O-N 3.1Å; S236-V238 PolarHBondContact O-N 2.9Å | ||
| 237 | F | 21.9 | Very low | 24.2 | Very low | 176 Ų | 176 | 135.2 Ų | 135.2 | 77% | 0.772 | 69% | 0.69 | S | S | * | * | trans | -68.8 | 97.4 | 163.5 | -76.4 | -90.4 | 0 | 0 | 0 | 108 | L235 N239 | L235-F237 HydrophobicContact CB-CD2 4.28Å; L235-F237 HydrophobicContact CB-CE2 4.03Å; L235-F237 HydrophobicContact CD2-CE2 4.37Å; L235-F237 PolarHBondContact O-N 3.48Å; F237-N239 PolarHBondContact O-N 2.87Å; F237-N239 VanDerWaalsContact O-N 3.12Å | ||
| 238 | V | 22.7 | Very low | 24.4 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | trans | -79.1 | 98.7 | 168.3 | -167.9 | 0 | 0 | 0 | 0 | 106.8 | S236 V240 | S236-V238 PolarHBondContact O-N 2.9Å; V238-V240 HydrophobicContact CB-CG2 4.38Å; V238-V240 HydrophobicContact CG1-CG2 3.48Å; V238-V240 VanDerWaalsContact CG1-CG2 3.48Å; V238-V240 PolarHBondContact O-N 3.45Å | ||
| 239 | N | 22.2 | Very low | 24.4 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 80% | 0.797 | 65% | 0.649 | S | S | * | * | trans | -73.6 | 73.1 | 173.4 | -124.9 | -2.7 | 0 | 0 | 0 | 108.3 | F237 S241 | F237-N239 PolarHBondContact O-N 2.87Å; F237-N239 VanDerWaalsContact O-N 3.12Å; N239-S241 PolarHBondContact O-N 3.08Å | ||
| 240 | V | 25.9 | Very low | 24.6 | Very low | 81 Ų | 81 | 122.2 Ų | 122.2 | 49% | 0.491 | 62% | 0.615 | S | S | . | * | trans | -79.9 | 115.7 | 167.9 | -167.6 | 0 | 0 | 0 | 0 | 106.7 | V238 L242 F243 | V238-V240 HydrophobicContact CB-CG2 4.38Å; V238-V240 HydrophobicContact CG1-CG2 3.48Å; V238-V240 VanDerWaalsContact CG1-CG2 3.48Å; V238-V240 PolarHBondContact O-N 3.45Å; V240-L242 PolarHBondContact O-N 3.38Å; V240-F243 PolarHBondContact O-N 3.42Å; V240-F243 VanDerWaalsContact O-N 3.13Å | ||
| 241 | S | 28.8 | Very low | 24.9 | Very low | 112 Ų | 112 | 118.5 Ų | 118.5 | 78% | 0.783 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | 12.5 | -160 | 48.8 | 0 | 0 | 0 | 0 | 118.9 | N239 | N239-S241 PolarHBondContact O-N 3.08Š|
| 242 | L | 27.5 | Very low | 25.2 | Very low | 151 Ų | 151 | 116.1 Ų | 116.1 | 79% | 0.791 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.9 | -5.5 | 170.3 | -101.6 | 112.8 | 0 | 0 | 0 | 115.2 | V240 | V240-L242 PolarHBondContact O-N 3.38Š|
| 243 | F | 23.4 | Very low | 25.7 | Very low | 143 Ų | 143 | 110.9 Ų | 110.9 | 63% | 0.627 | 55% | 0.549 | S | S | * | . | trans | -139.8 | 110.4 | -177.6 | -73.2 | -89.5 | 0 | 0 | 0 | 108.7 | V240 F245 | V240-F243 PolarHBondContact O-N 3.42Å; V240-F243 VanDerWaalsContact O-N 3.13Å; F243-F245 HydrophobicContact CB-CD2 3.74Å; F243-F245 HydrophobicContact CB-CE2 3.46Å; F243-F245 VanDerWaalsContact CB-CE2 3.46Å; F243-F245 HydrophobicContact CB-CZ 4.33Å; F243-F245 HydrophobicContact CG-CE2 4.26Å; F243-F245 WeakPolarHBondContact O-CD2 3.34Å; F243-F245 PolarHBondContact O-N 3.07Å | ||
| 244 | K | 21.8 | Very low | 26.1 | Very low | 176 Ų | 176 | 112.4 Ų | 112.4 | 77% | 0.765 | 55% | 0.547 | S | S | * | . | trans | -67 | 87.1 | 168 | -78.7 | -177.5 | 177.1 | 178.7 | 0 | 108.2 | Y246 | K244-Y246 PolarHBondContact O-N 2.74Š| ||
| 245 | F | 22 | Very low | 26.7 | Very low | 117 Ų | 117 | 106.2 Ų | 106.2 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | trans | -72 | 104.8 | 167.7 | -79.3 | -85.9 | 0 | 0 | 0 | 107.8 | F243 L247 | F243-F245 HydrophobicContact CB-CD2 3.74Å; F243-F245 HydrophobicContact CB-CE2 3.46Å; F243-F245 VanDerWaalsContact CB-CE2 3.46Å; F243-F245 HydrophobicContact CB-CZ 4.33Å; F243-F245 HydrophobicContact CG-CE2 4.26Å; F243-F245 WeakPolarHBondContact O-CD2 3.34Å; F243-F245 PolarHBondContact O-N 3.07Å; F245-L247 PolarHBondContact O-N 2.8Å | ||
| 246 | Y | 25.4 | Very low | 27.5 | Very low | 149 Ų | 149 | 108 Ų | 108 | 58% | 0.584 | 53% | 0.529 | S | S | * | . | trans | -63.5 | 105.7 | 166 | -65 | -86.8 | 0 | 0 | 0 | 106.7 | R54 K244 F248 | R54-Y246 PolarHBondContact NH1-O 3.28Å; K244-Y246 PolarHBondContact O-N 2.74Å; Y246-F248 HydrophobicContact CG-CE2 4.45Å; Y246-F248 PolarHBondContact O-N 2.74Å; Y246-F248 VanDerWaalsContact O-N 3.1Å | ||
| 247 | L | 23.5 | Very low | 28.2 | Very low | 102 Ų | 102 | 107.4 Ų | 107.4 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | trans | -74 | 102.2 | 174.3 | -160.2 | 85.3 | 0 | 0 | 0 | 107.8 | F245 R249 | F245-L247 PolarHBondContact O-N 2.8Å; L247-R249 PolarHBondContact O-N 2.71Å | ||
| 248 | F | 26.3 | Very low | 29.1 | Very low | 32 Ų | 32 | 104.4 Ų | 104.4 | 14% | 0.14 | 52% | 0.52 | C | S | . | . | trans | -76.5 | 84.4 | 170.3 | -79.7 | -108.3 | 0 | 0 | 0 | 107.5 | Y246 K264 P266 | Y246-F248 HydrophobicContact CG-CE2 4.45Å; Y246-F248 PolarHBondContact O-N 2.74Å; Y246-F248 VanDerWaalsContact O-N 3.1Å; F248-K264 HydrophobicContact CD1-CB 3.86Å; F248-K264 HydrophobicContact CD1-CG 4.29Å; F248-K264 WeakPolarHBondContact CD1-O 3.42Å; F248-K264 HydrophobicContact CE1-CB 4Å; F248-K264 HydrophobicContact CE1-CD 4.35Å; F248-K264 HydrophobicContact CE1-CG 3.98Å; F248-K264 WeakPolarHBondContact CE1-O 3.29Å; F248-P266 HydrophobicContact CE1-CG 4.11Å; F248-P266 HydrophobicContact CE2-CG 4.11Å; F248-P266 HydrophobicContact CZ-CB 3.75Å; F248-P266 HydrophobicContact CZ-CG 3.38Å | ||
| 249 | R | 27.5 | Very low | 30 | Very low | 162 Ų | 162 | 104.3 Ų | 104.3 | 61% | 0.611 | 51% | 0.51 | S | S | * | . | trans | -78.1 | 122.4 | 169.8 | -152.2 | 175.9 | -170.9 | -178.2 | 0.7 | 106.9 | M234 L247 I251 | M234-R249 PolarHBondContact O-NH1 2.79Å; L247-R249 PolarHBondContact O-N 2.71Å; R249-I251 PolarHBondContact O-N 2.83Å | ||
| 250 | F | 28.8 | Very low | 31 | Very low | 14 Ų | 14 | 98 Ų | 98 | 6% | 0.061 | 48% | 0.475 | C | S | . | . | trans | -55.8 | 123.7 | 166.7 | -71.2 | -76.6 | 0 | 0 | 0 | 108.1 | Y56 Y57 Y252 T261 V262 I263 | Y56-F250 AromaticContact CD2-CD2 3.96Å; Y56-F250 HydrophobicContact CD2-CD2 3.96Å; Y56-F250 HydrophobicContact CD2-CE2 4.13Å; Y57-F250 AromaticContact CD1-CE2 3.51Å; Y57-F250 HydrophobicContact CD1-CE2 3.51Å; Y57-F250 AromaticContact CD1-CZ 3.58Å; Y57-F250 HydrophobicContact CD1-CZ 3.58Å; Y57-F250 HydrophobicContact CE1-CD2 4.25Å; Y57-F250 HydrophobicContact CE1-CE1 4.23Å; Y57-F250 AromaticContact CE1-CE2 3.2Å; Y57-F250 HydrophobicContact CE1-CE2 3.2Å; Y57-F250 AromaticContact CE1-CZ 3.17Å; Y57-F250 HydrophobicContact CE1-CZ 3.17Å; F250-Y252 PolarHBondContact O-N 2.96Å; F250-T261 HydrophobicContact CD1-CG2 3.35Å; F250-T261 HydrophobicContact CD2-CG2 4.41Å; F250-T261 HydrophobicContact CE1-CG2 3.28Å; F250-T261 HydrophobicContact CE2-CG2 4.31Å; F250-T261 HydrophobicContact CG-CG2 3.95Å; F250-T261 HydrophobicContact CZ-CG2 3.79Å; F250-V262 WeakPolarHBondContact CD1-O 3.42Å; F250-V262 WeakPolarHBondContact CE1-O 3.48Å; F250-I263 HydrophobicContact CE1-CG1 3.99Å; F250-I263 HydrophobicContact CZ-CG1 4.47Å | ||
| 251 | I | 32.7 | Very low | 31.9 | Very low | 68 Ų | 68 | 94.7 Ų | 94.7 | 35% | 0.349 | 46% | 0.456 | S | S | . | . | trans | -84.8 | 111.9 | 169.3 | -58.4 | 170.1 | 0 | 0 | 0 | 105.7 | R249 Y253 | R249-I251 PolarHBondContact O-N 2.83Å; I251-Y253 HydrophobicContact CB-CD2 4.11Å; I251-Y253 HydrophobicContact CB-CE2 3.55Å; I251-Y253 HydrophobicContact CD1-CE2 4.4Å; I251-Y253 WeakPolarHBondContact CD1-OH 3.47Å; I251-Y253 HydrophobicContact CG2-CD1 4.09Å; I251-Y253 HydrophobicContact CG2-CD2 3.85Å; I251-Y253 HydrophobicContact CG2-CE1 3.71Å; I251-Y253 HydrophobicContact CG2-CE2 3.47Å; I251-Y253 VanDerWaalsContact CG2-CE2 3.47Å; I251-Y253 HydrophobicContact CG2-CG 4.15Å; I251-Y253 WeakPolarHBondContact O-CD2 3.39Å; I251-Y253 PolarHBondContact O-N 3.34Å; I251-Y253 VanDerWaalsContact O-N 3.15Å | ||
| 252 | Y | 32.4 | Very low | 32.7 | Very low | 89 Ų | 89 | 91 Ų | 91 | 35% | 0.349 | 43% | 0.429 | S | S | . | . | trans | -71.6 | 102.7 | 168 | -62.6 | -80.7 | 0 | 0 | 0 | 107.2 | M141 F250 | M141-Y252 HydrophobicContact CE-CE1 4.44Å; M141-Y252 HydrophobicContact CE-CE2 4.03Å; M141-Y252 VanDerWaalsContact CE-OH 3.24Å; M141-Y252 WeakPolarHBondContact CE-OH 3.25Å; M141-Y252 HydrophobicContact SD-CD1 4.27Å; M141-Y252 HydrophobicContact SD-CE1 3.44Å; M141-Y252 WeakPolarHBondContact SD-CE1 3.28Å; M141-Y252 HydrophobicContact SD-CE2 3.95Å; M141-Y252 PolarHBondContact SD-OH 2.84Å; F250-Y252 PolarHBondContact O-N 2.96Å | ||
| 253 | Y | 35.9 | Very low | 33.8 | Very low | 74 Ų | 74 | 84 Ų | 84 | 29% | 0.29 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 133.1 | 171.6 | -69.6 | -81.3 | 0 | 0 | 0 | 109 | I251 K258 Y259 F260 V262 | I251-Y253 HydrophobicContact CB-CD2 4.11Å; I251-Y253 HydrophobicContact CB-CE2 3.55Å; I251-Y253 HydrophobicContact CD1-CE2 4.4Å; I251-Y253 WeakPolarHBondContact CD1-OH 3.47Å; I251-Y253 HydrophobicContact CG2-CD1 4.09Å; I251-Y253 HydrophobicContact CG2-CD2 3.85Å; I251-Y253 HydrophobicContact CG2-CE1 3.71Å; I251-Y253 HydrophobicContact CG2-CE2 3.47Å; I251-Y253 VanDerWaalsContact CG2-CE2 3.47Å; I251-Y253 HydrophobicContact CG2-CG 4.15Å; I251-Y253 WeakPolarHBondContact O-CD2 3.39Å; I251-Y253 PolarHBondContact O-N 3.34Å; I251-Y253 VanDerWaalsContact O-N 3.15Å; Y253-K258 VanDerWaalsContact O-O 3.08Å; Y253-Y259 WeakPolarHBondContact O-CA 3.15Å; Y253-F260 WeakPolarHBondContact O-CD2 3.22Å; Y253-V262 HydrophobicContact CD2-CG2 3.8Å; Y253-V262 HydrophobicContact CE2-CG2 4.02Å |
| 254 | E | 32.1 | Very low | 35.1 | Very low | 129 Ų | 129 | 82.2 Ų | 82.2 | 60% | 0.603 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 115.3 | 162.1 | -166.7 | -174.8 | 172.4 | 0 | 0 | 108.1 | K258 | E254-K258 WeakPolarHBondContact CA-O 3.22Å |
| 255 | A | 34.2 | Very low | 36.5 | Very low | 20 Ų | 20 | 75 Ų | 75 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | F226 G257 K258 F260 | F226-A255 HydrophobicContact CE1-CB 3.73Å; A255-G257 PolarHBondContact O-N 2.88Å; A255-K258 PolarHBondContact N-O 2.62Å; A255-K258 PolarHBondContact O-N 3.48Å; A255-K258 VanDerWaalsContact O-N 3.09Å; A255-F260 HydrophobicContact CB-CE2 3.65Å; A255-F260 HydrophobicContact CB-CZ 4.08Å |
| 256 | N | 40.2 | Very low | 37.9 | Very low | 174 Ų | 174 | 70.2 Ų | 70.2 | 93% | 0.93 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 38.5 | -175.2 | -59.6 | -12.4 | 0 | 0 | 0 | 113.2 | K258 | N256-K258 VanDerWaalsContact C-N 3.28Å; N256-K258 PolarHBondContact O-N 3.23Å |
| 257 | G | 36.4 | Very low | 39.2 | Very low | 48 Ų | 48 | 65.1 Ų | 65.1 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 10 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A255 | A255-G257 PolarHBondContact O-N 2.88Š|
| 258 | K | 41.1 | Very low | 40.7 | Very low | 112 Ų | 112 | 65.3 Ų | 65.3 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 139.3 | 173.6 | -63.7 | -171.1 | 179.7 | -171.8 | 0 | 110.1 | I148 Y253 E254 A255 N256 F260 | I148-K258 HydrophobicContact CD1-CD 3.98Å; Y253-K258 VanDerWaalsContact O-O 3.08Å; E254-K258 WeakPolarHBondContact CA-O 3.22Å; A255-K258 PolarHBondContact N-O 2.62Å; A255-K258 PolarHBondContact O-N 3.48Å; A255-K258 VanDerWaalsContact O-N 3.09Å; N256-K258 VanDerWaalsContact C-N 3.28Å; N256-K258 PolarHBondContact O-N 3.23Å; K258-F260 HydrophobicContact CB-CE1 4.24Å; K258-F260 HydrophobicContact CB-CE2 4.04Å; K258-F260 HydrophobicContact CB-CZ 3.64Å; K258-F260 WeakPolarHBondContact O-CD2 3.37Å; K258-F260 WeakPolarHBondContact O-CE2 3.39Å |
| 259 | Y | 41.7 | Very low | 42.2 | Very low | 88 Ų | 88 | 64.8 Ų | 64.8 | 35% | 0.345 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 146.1 | 172.7 | -64.1 | -97.4 | 0 | 0 | 0 | 109.6 | Q145 Y253 | Q145-Y259 HydrophobicContact CG-CD2 4.19Å; Q145-Y259 VanDerWaalsContact OE1-CG 3.31Å; Y253-Y259 WeakPolarHBondContact O-CA 3.15Å |
| 260 | F | 42.9 | Very low | 43.9 | Very low | 16 Ų | 16 | 57.2 Ų | 57.2 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 144.1 | -173.7 | -47.6 | -99.7 | 0 | 0 | 0 | 110.8 | I148 K150 Y253 A255 K258 | I148-F260 HydrophobicContact CB-CD1 3.45Å; I148-F260 VanDerWaalsContact CB-CD1 3.45Å; I148-F260 HydrophobicContact CB-CE1 4.09Å; I148-F260 HydrophobicContact CB-CG 4.39Å; I148-F260 HydrophobicContact CD1-CD1 3.6Å; I148-F260 HydrophobicContact CD1-CE1 3.29Å; I148-F260 HydrophobicContact CD1-CZ 4.29Å; I148-F260 HydrophobicContact CG1-CD1 4.04Å; I148-F260 HydrophobicContact CG1-CE1 4.23Å; I148-F260 HydrophobicContact CG2-CD1 3.48Å; I148-F260 VanDerWaalsContact CG2-CD1 3.48Å; I148-F260 HydrophobicContact CG2-CE1 4Å; K150-F260 HydrophobicContact CD-CB 4.15Å; K150-F260 HydrophobicContact CD-CD1 4.21Å; K150-F260 HydrophobicContact CD-CG 4.19Å; K150-F260 VanDerWaalsContact CE-CG 3.43Å; K150-F260 HydrophobicContact CG-CB 4.11Å; K150-F260 HydrophobicContact CG-CD1 4.12Å; K150-F260 HydrophobicContact CG-CG 4.35Å; Y253-F260 WeakPolarHBondContact O-CD2 3.22Å; A255-F260 HydrophobicContact CB-CE2 3.65Å; A255-F260 HydrophobicContact CB-CZ 4.08Å; K258-F260 HydrophobicContact CB-CE1 4.24Å; K258-F260 HydrophobicContact CB-CE2 4.04Å; K258-F260 HydrophobicContact CB-CZ 3.64Å; K258-F260 WeakPolarHBondContact O-CD2 3.37Å; K258-F260 WeakPolarHBondContact O-CE2 3.39Å |
| 261 | T | 45.4 | Very low | 45.8 | Very low | 13 Ų | 13 | 61 Ų | 61 | 8% | 0.08 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 116.5 | 170.6 | -61.8 | 0 | 0 | 0 | 0 | 108.1 | I148 I149 K150 F250 | I148-T261 PolarHBondContact O-N 2.86Å; I148-T261 VanDerWaalsContact O-N 3.13Å; I149-T261 CarbonylContact C-O 3.54Å; I149-T261 WeakPolarHBondContact CA-O 2.99Å; K150-T261 PolarHBondContact N-O 3.36Å; F250-T261 HydrophobicContact CD1-CG2 3.35Å; F250-T261 HydrophobicContact CD2-CG2 4.41Å; F250-T261 HydrophobicContact CE1-CG2 3.28Å; F250-T261 HydrophobicContact CE2-CG2 4.31Å; F250-T261 HydrophobicContact CG-CG2 3.95Å; F250-T261 HydrophobicContact CZ-CG2 3.79Å |
| 262 | V | 46.1 | Very low | 47.8 | Very low | 35 Ų | 35 | 59.7 Ų | 59.7 | 21% | 0.212 | 31% | 0.309 | C | S | . | . | trans | -107.4 | 111.1 | -177.2 | -171.1 | 0 | 0 | 0 | 0 | 111 | K150 F250 Y253 K264 | K150-V262 HydrophobicContact CB-CG1 4.4Å; K150-V262 HydrophobicContact CB-CG2 4.07Å; K150-V262 HydrophobicContact CD-CG2 4.38Å; F250-V262 WeakPolarHBondContact CD1-O 3.42Å; F250-V262 WeakPolarHBondContact CE1-O 3.48Å; Y253-V262 HydrophobicContact CD2-CG2 3.8Å; Y253-V262 HydrophobicContact CE2-CG2 4.02Å; V262-K264 PolarHBondContact O-N 3.02Å; V262-K264 VanDerWaalsContact O-N 3.11Å | ||
| 263 | I | 50.2 | Low | 49.6 | Very low | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | trans | -75.5 | 103.3 | 170.3 | -58.7 | 179.2 | 0 | 0 | 0 | 107.8 | I149 A151 I201 F250 Y278 | I149-I263 HydrophobicContact CG2-CD1 4.03Å; I149-I263 HydrophobicContact CG2-CG1 4.28Å; A151-I263 HydrophobicContact CB-CB 4.42Å; A151-I263 HydrophobicContact CB-CD1 4.18Å; I201-I263 HydrophobicContact CD1-CD1 4.19Å; F250-I263 HydrophobicContact CE1-CG1 3.99Å; F250-I263 HydrophobicContact CZ-CG1 4.47Å; I263-Y278 HydrophobicContact CD1-CD1 4.48Å; I263-Y278 HydrophobicContact CD1-CD2 4.29Å; I263-Y278 HydrophobicContact CD1-CG 4.12Å; I263-Y278 HydrophobicContact CG2-CD1 3.75Å; I263-Y278 HydrophobicContact CG2-CD2 4.05Å; I263-Y278 HydrophobicContact CG2-CE1 3.28Å; I263-Y278 HydrophobicContact CG2-CE2 3.6Å; I263-Y278 HydrophobicContact CG2-CG 4.11Å | ||
| 264 | K | 49.8 | Very low | 51.3 | Low | 105 Ų | 105 | 52.5 Ų | 52.5 | 46% | 0.457 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 128.2 | 176.5 | -174.8 | 179 | -176.8 | 177.8 | 0 | 109.1 | F248 V262 | F248-K264 HydrophobicContact CD1-CB 3.86Å; F248-K264 HydrophobicContact CD1-CG 4.29Å; F248-K264 WeakPolarHBondContact CD1-O 3.42Å; F248-K264 HydrophobicContact CE1-CB 4Å; F248-K264 HydrophobicContact CE1-CD 4.35Å; F248-K264 HydrophobicContact CE1-CG 3.98Å; F248-K264 WeakPolarHBondContact CE1-O 3.29Å; V262-K264 PolarHBondContact O-N 3.02Å; V262-K264 VanDerWaalsContact O-N 3.11Å |
| 265 | I | 53 | Low | 53.4 | Low | 24 Ų | 24 | 46.6 Ų | 46.6 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -96.2 | 127.5 | 175.5 | -60.9 | 173.1 | 0 | 0 | 0 | 108.2 | I203 F205 V269 V270 I276 | I203-I265 HydrophobicContact CD1-CD1 3.65Å; I203-I265 HydrophobicContact CD1-CG1 4.4Å; I203-I265 HydrophobicContact CG2-CD1 4.35Å; F205-I265 HydrophobicContact CE2-CD1 4.19Å; F205-I265 HydrophobicContact CE2-CG2 4.25Å; F205-I265 HydrophobicContact CZ-CD1 3.71Å; F205-I265 HydrophobicContact CZ-CG2 4.23Å; I265-V269 HydrophobicContact CG2-CG2 3.64Å; I265-V270 HydrophobicContact CG2-CG2 3.88Å; I265-I276 HydrophobicContact CB-CD1 4.49Å; I265-I276 HydrophobicContact CG1-CD1 4.39Å; I265-I276 HydrophobicContact CG2-CD1 3.43Å; I265-I276 VanDerWaalsContact CG2-CD1 3.43Å |
| 266 | P | 51.6 | Low | 55.2 | Low | 16 Ų | 16 | 45.6 Ų | 45.6 | 10% | 0.104 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 135.2 | 176.4 | -3.7 | 3.5 | 0 | 0 | 0 | 111.5 | F248 T268 V269 | F248-P266 HydrophobicContact CE1-CG 4.11Å; F248-P266 HydrophobicContact CE2-CG 4.11Å; F248-P266 HydrophobicContact CZ-CB 3.75Å; F248-P266 HydrophobicContact CZ-CG 3.38Å; P266-T268 PolarHBondContact O-N 2.8Å; P266-T268 VanDerWaalsContact O-N 3.13Å; P266-V269 HydrophobicContact CB-CG1 4.46Å; P266-V269 HydrophobicContact CB-CG2 4.03Å; P266-V269 HydrophobicContact CG-CG1 4.26Å; P266-V269 HydrophobicContact CG-CG2 3.71Å; P266-V269 WeakPolarHBondContact O-CG2 3.28Å; P266-V269 PolarHBondContact O-N 3.04Å; P266-V269 VanDerWaalsContact O-N 3.13Å |
| 267 | P | 52 | Low | 56.7 | Low | 43 Ų | 43 | 37.8 Ų | 37.8 | 28% | 0.279 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -52.6 | -37.1 | 176.5 | -34.6 | 39.8 | 0 | 0 | 0 | 114.7 | V216 V269 V270 | V216-P267 HydrophobicContact CB-CB 3.68Å; V216-P267 WeakPolarHBondContact CB-O 3.3Å; V216-P267 HydrophobicContact CG1-CB 3.71Å; V216-P267 HydrophobicContact CG1-CG 4.48Å; V216-P267 WeakPolarHBondContact CG1-O 3.29Å; V216-P267 WeakPolarHBondContact O-CB 3.26Å; V216-P267 WeakPolarHBondContact O-CG 3.49Å; P267-V269 PolarHBondContact O-N 3Å; P267-V270 PolarHBondContact O-N 2.71Å |
| 268 | T | 53.8 | Low | 58.3 | Low | 105 Ų | 105 | 35.8 Ų | 35.8 | 64% | 0.644 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -67.8 | -17.2 | -176 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | P266 K271 | P266-T268 PolarHBondContact O-N 2.8Å; P266-T268 VanDerWaalsContact O-N 3.13Å; T268-K271 WeakPolarHBondContact O-CE 3.45Å |
| 269 | V | 59.3 | Low | 59.6 | Low | 22 Ų | 22 | 31.8 Ų | 31.8 | 13% | 0.133 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -102.2 | -5.4 | -179.9 | -56.1 | 0 | 0 | 0 | 0 | 113 | I61 I265 P266 P267 K271 T274 I276 | I61-V269 HydrophobicContact CD1-CG1 4Å; I61-V269 HydrophobicContact CG2-CB 4.37Å; I61-V269 HydrophobicContact CG2-CG1 4.02Å; I265-V269 HydrophobicContact CG2-CG2 3.64Å; P266-V269 HydrophobicContact CB-CG1 4.46Å; P266-V269 HydrophobicContact CB-CG2 4.03Å; P266-V269 HydrophobicContact CG-CG1 4.26Å; P266-V269 HydrophobicContact CG-CG2 3.71Å; P266-V269 WeakPolarHBondContact O-CG2 3.28Å; P266-V269 PolarHBondContact O-N 3.04Å; P266-V269 VanDerWaalsContact O-N 3.13Å; P267-V269 PolarHBondContact O-N 3Å; V269-K271 VanDerWaalsContact C-N 3.3Å; V269-K271 PolarHBondContact O-N 2.87Å; V269-T274 HydrophobicContact CB-CG2 4.44Å; V269-T274 WeakPolarHBondContact O-CB 3.39Å; V269-T274 VanDerWaalsContact O-CG2 3.3Å; V269-T274 WeakPolarHBondContact O-CG2 3.32Å; V269-T274 PolarHBondContact O-OG1 2.81Å; V269-I276 HydrophobicContact CB-CD1 4.48Å; V269-I276 HydrophobicContact CG2-CD1 3.6Å |
| 270 | V | 62.6 | Low | 60.4 | Low | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | trans | -78.2 | 84.5 | 176.4 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | F205 V208 V216 L219 I265 P267 | F205-V270 HydrophobicContact CD1-CG1 4.15Å; F205-V270 HydrophobicContact CE1-CG1 3.94Å; F205-V270 HydrophobicContact CZ-CG1 4.36Å; F205-V270 HydrophobicContact CZ-CG2 4.3Å; V208-V270 HydrophobicContact CG1-CG1 4.21Å; V208-V270 HydrophobicContact CG2-CG1 4.28Å; V216-V270 HydrophobicContact CG1-CB 3.72Å; V216-V270 HydrophobicContact CG1-CG1 4.3Å; V216-V270 HydrophobicContact CG1-CG2 3.67Å; V216-V270 HydrophobicContact CG2-CB 4.29Å; L219-V270 HydrophobicContact CD1-CG1 4.43Å; L219-V270 HydrophobicContact CD2-CG1 4.19Å; I265-V270 HydrophobicContact CG2-CG2 3.88Å; P267-V270 PolarHBondContact O-N 2.71Å | ||
| 271 | K | 67.8 | Low | 60.7 | Low | 94 Ų | 94 | 31.1 Ų | 31.1 | 41% | 0.409 | 17% | 0.174 | S | C | . | . | trans | -139.3 | 153.7 | 178.1 | -59 | -173.4 | -177.8 | -175.7 | 0 | 110.9 | F205 E213 T268 V269 G273 T274 | F205-K271 VanDerWaalsContact CB-O 3.31Å; F205-K271 WeakPolarHBondContact CB-O 3.45Å; E213-K271 HydrophobicContact CG-CG 4.42Å; E213-K271 WeakPolarHBondContact OE1-CA 2.84Å; T268-K271 WeakPolarHBondContact O-CE 3.45Å; V269-K271 VanDerWaalsContact C-N 3.3Å; V269-K271 PolarHBondContact O-N 2.87Å; K271-G273 PolarHBondContact O-N 3.23Å; K271-T274 VanDerWaalsContact O-CB 3.27Å; K271-T274 WeakPolarHBondContact O-CB 3.49Å; K271-T274 PolarHBondContact O-N 2.79Å; K271-T274 PolarHBondContact O-OG1 2.85Å | ||
| 272 | S | 74.4 | Confident | 60.7 | Low | 40 Ų | 40 | 35.3 Ų | 35.3 | 28% | 0.28 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 139 | 174 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | F205 V208 E213 T274 | F205-S272 CarbonylContact O-C 3.57Å; F205-S272 WeakPolarHBondContact O-CA 3.33Å; V208-S272 PolarHBondContact N-OG 3.05Å; V208-S272 PolarHBondContact O-OG 2.64Å; E213-S272 PolarHBondContact OE1-N 3.43Å; E213-S272 PolarHBondContact OE1-OG 3.2Å; S272-T274 VanDerWaalsContact C-N 3.28Å; S272-T274 PolarHBondContact O-N 2.81Å |
| 273 | G | 71.7 | Confident | 60.1 | Low | 10 Ų | 10 | 39.9 Ų | 39.9 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N64 Q65 F205 K271 | N64-G273 CarbonylContact C-O 3.58Å; N64-G273 VanDerWaalsContact CA-O 3.26Å; N64-G273 WeakPolarHBondContact CA-O 3.34Å; N64-G273 PolarHBondContact N-O 2.97Å; Q65-G273 PolarHBondContact N-O 2.74Å; F205-G273 PolarHBondContact O-N 3.18Å; K271-G273 PolarHBondContact O-N 3.23Å |
| 274 | T | 71.2 | Confident | 59 | Low | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 129.8 | 179.4 | -51.7 | 0 | 0 | 0 | 0 | 111.8 | I61 K62 Y204 F205 V269 K271 S272 I276 | I61-T274 HydrophobicContact CG2-CG2 4.32Å; K62-T274 WeakPolarHBondContact O-CA 3.45Å; K62-T274 WeakPolarHBondContact O-CG2 3.36Å; Y204-T274 WeakPolarHBondContact CA-O 3.26Å; Y204-T274 WeakPolarHBondContact CD2-O 2.99Å; F205-T274 PolarHBondContact N-O 2.76Å; V269-T274 HydrophobicContact CB-CG2 4.44Å; V269-T274 WeakPolarHBondContact O-CB 3.39Å; V269-T274 VanDerWaalsContact O-CG2 3.3Å; V269-T274 WeakPolarHBondContact O-CG2 3.32Å; V269-T274 PolarHBondContact O-OG1 2.81Å; K271-T274 VanDerWaalsContact O-CB 3.27Å; K271-T274 WeakPolarHBondContact O-CB 3.49Å; K271-T274 PolarHBondContact O-N 2.79Å; K271-T274 PolarHBondContact O-OG1 2.85Å; S272-T274 VanDerWaalsContact C-N 3.28Å; S272-T274 PolarHBondContact O-N 2.81Å; T274-I276 HydrophobicContact CG2-CG1 4.29Å |
| 275 | L | 76 | Confident | 57.9 | Low | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133 | 171.4 | -176.9 | 74.6 | 0 | 0 | 0 | 109.8 | L42 K62 Q65 I203 Y204 E277 | L42-L275 HydrophobicContact CD2-CD2 4.19Å; K62-L275 HydrophobicContact CB-CB 4.35Å; K62-L275 PolarHBondContact N-O 2.88Å; K62-L275 PolarHBondContact O-N 2.96Å; K62-L275 VanDerWaalsContact O-O 3.12Å; Q65-L275 HydrophobicContact CB-CB 4.31Å; Q65-L275 VanDerWaalsContact OE1-CD2 3.24Å; I203-L275 CarbonylContact O-C 3.52Å; I203-L275 WeakPolarHBondContact O-CA 3.28Å; Y204-L275 HydrophobicContact CD2-CB 4.19Å; Y204-L275 HydrophobicContact CD2-CD1 4.29Å; Y204-L275 HydrophobicContact CG-CD1 4.47Å; L275-E277 HydrophobicContact CD2-CG 4.13Å; L275-E277 HydrophobicContact CG-CG 4.14Å |
| 276 | I | 71.9 | Confident | 56.6 | Low | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.3 | 174.4 | -46.6 | 177.6 | 0 | 0 | 0 | 108.7 | E59 L60 I61 S202 I203 F205 I265 V269 T274 Y278 | E59-I276 HydrophobicContact CG-CG2 3.93Å; L60-I276 CarbonylContact O-C 3.55Å; L60-I276 WeakPolarHBondContact O-CA 3.34Å; I61-I276 HydrophobicContact CG1-CG1 4.37Å; I61-I276 HydrophobicContact CG1-CG2 4Å; S202-I276 CarbonylContact C-O 3.52Å; S202-I276 WeakPolarHBondContact CA-O 3.43Å; I203-I276 PolarHBondContact N-O 2.74Å; I203-I276 PolarHBondContact O-N 2.79Å; F205-I276 HydrophobicContact CE2-CD1 3.82Å; F205-I276 HydrophobicContact CE2-CG1 4.42Å; I265-I276 HydrophobicContact CB-CD1 4.49Å; I265-I276 HydrophobicContact CG1-CD1 4.39Å; I265-I276 HydrophobicContact CG2-CD1 3.43Å; I265-I276 VanDerWaalsContact CG2-CD1 3.43Å; V269-I276 HydrophobicContact CB-CD1 4.48Å; V269-I276 HydrophobicContact CG2-CD1 3.6Å; T274-I276 HydrophobicContact CG2-CG1 4.29Å; I276-Y278 HydrophobicContact CB-CE2 4.15Å; I276-Y278 HydrophobicContact CG2-CD2 4.42Å; I276-Y278 HydrophobicContact CG2-CE1 4.23Å; I276-Y278 HydrophobicContact CG2-CE2 3.57Å; I276-Y278 VanDerWaalsContact CG2-CZ 3.47Å; I276-Y278 WeakPolarHBondContact CG2-OH 3.3Å |
| 277 | E | 72 | Confident | 55.4 | Low | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.5 | -179.2 | -49.4 | -170.6 | 113.5 | 0 | 0 | 110.5 | F44 E59 L60 K62 I201 S202 L275 | F44-E277 VanDerWaalsContact CE1-CD 3.43Å; F44-E277 WeakPolarHBondContact CE1-OE1 3.48Å; F44-E277 WeakPolarHBondContact CE1-OE2 3.39Å; F44-E277 WeakPolarHBondContact CZ-OE1 3.41Å; F44-E277 VanDerWaalsContact CZ-OE2 3.3Å; F44-E277 WeakPolarHBondContact CZ-OE2 3.43Å; E59-E277 CarbonylContact C-O 3.6Å; E59-E277 VanDerWaalsContact CA-O 3.3Å; E59-E277 WeakPolarHBondContact CA-O 3.35Å; L60-E277 HydrophobicContact CB-CB 4.25Å; L60-E277 PolarHBondContact N-O 3.34Å; L60-E277 PolarHBondContact O-N 2.93Å; K62-E277 IonicContact NZ-OE2 2.71Å; K62-E277 PolarHBondContact NZ-OE2 2.82Å; I201-E277 CarbonylContact O-C 3.59Å; I201-E277 WeakPolarHBondContact O-CA 3.41Å; S202-E277 PolarHBondContact OG-OE1 2.9Å; S202-E277 VanDerWaalsContact OG-OE1 3.06Å; L275-E277 HydrophobicContact CD2-CG 4.13Å; L275-E277 HydrophobicContact CG-CG 4.14Å |
| 278 | Y | 71 | Confident | 54.1 | Low | 5 Ų | 5 | 62.2 Ų | 62.2 | 2% | 0.02 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 115.5 | 177.5 | -59.6 | -80.3 | 0 | 0 | 0 | 107.5 | Y57 I58 E59 N200 I201 I203 I263 I276 | Y57-Y278 AromaticContact CD2-CD1 3.61Å; Y57-Y278 HydrophobicContact CD2-CD1 3.61Å; Y57-Y278 HydrophobicContact CD2-CE1 4.35Å; Y57-Y278 AromaticContact CE2-CD1 3.31Å; Y57-Y278 HydrophobicContact CE2-CD1 3.31Å; Y57-Y278 AromaticContact CE2-CE1 3.6Å; Y57-Y278 HydrophobicContact CE2-CE1 3.6Å; I58-Y278 WeakPolarHBondContact O-CA 3.45Å; E59-Y278 HydrophobicContact CB-CD1 4.46Å; E59-Y278 HydrophobicContact CB-CE1 4.29Å; E59-Y278 HydrophobicContact CG-CD1 4.36Å; E59-Y278 HydrophobicContact CG-CE1 3.81Å; E59-Y278 PolarHBondContact OE1-OH 2.77Å; N200-Y278 WeakPolarHBondContact CA-O 3.4Å; I201-Y278 PolarHBondContact N-O 3.24Å; I201-Y278 PolarHBondContact O-N 2.83Å; I203-Y278 HydrophobicContact CD1-CD2 4.17Å; I203-Y278 HydrophobicContact CD1-CE2 3.55Å; I203-Y278 HydrophobicContact CG1-CD2 4.45Å; I203-Y278 HydrophobicContact CG1-CE2 4.14Å; I263-Y278 HydrophobicContact CD1-CD1 4.48Å; I263-Y278 HydrophobicContact CD1-CD2 4.29Å; I263-Y278 HydrophobicContact CD1-CG 4.12Å; I263-Y278 HydrophobicContact CG2-CD1 3.75Å; I263-Y278 HydrophobicContact CG2-CD2 4.05Å; I263-Y278 HydrophobicContact CG2-CE1 3.28Å; I263-Y278 HydrophobicContact CG2-CE2 3.6Å; I263-Y278 HydrophobicContact CG2-CG 4.11Å; I276-Y278 HydrophobicContact CB-CE2 4.15Å; I276-Y278 HydrophobicContact CG2-CD2 4.42Å; I276-Y278 HydrophobicContact CG2-CE1 4.23Å; I276-Y278 HydrophobicContact CG2-CE2 3.57Å; I276-Y278 VanDerWaalsContact CG2-CZ 3.47Å; I276-Y278 WeakPolarHBondContact CG2-OH 3.3Å |
| 279 | S | 67.4 | Low | 52.8 | Low | 28 Ų | 28 | 63.8 Ų | 63.8 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 111.9 | 171.1 | -59.5 | 0 | 0 | 0 | 0 | 107.7 | Y57 I58 N200 L281 | Y57-S279 CarbonylContact C-O 3.56Å; Y57-S279 VanDerWaalsContact CA-O 3.28Å; Y57-S279 WeakPolarHBondContact CA-O 3.29Å; Y57-S279 VanDerWaalsContact CB-O 3.3Å; Y57-S279 WeakPolarHBondContact CB-O 3.49Å; I58-S279 PolarHBondContact N-O 2.84Å; I58-S279 PolarHBondContact O-N 2.89Å; N200-S279 PolarHBondContact OD1-OG 3.12Å; S279-L281 PolarHBondContact O-N 3.11Å |
| 280 | P | 59.4 | Low | 51.2 | Low | 22 Ų | 22 | 67.1 Ų | 67.1 | 14% | 0.143 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 131.3 | 174.1 | 25.8 | -31.6 | 0 | 0 | 0 | 108.1 | Y95 Y96 G199 T282 | Y95-P280 HydrophobicContact CD2-CG 4.37Å; Y95-P280 HydrophobicContact CE2-CB 4.48Å; Y95-P280 HydrophobicContact CE2-CG 4.47Å; Y96-P280 HydrophobicContact CD1-CB 3.85Å; Y96-P280 HydrophobicContact CE1-CB 3.7Å; Y96-P280 HydrophobicContact CG-CB 4.41Å; G199-P280 WeakPolarHBondContact O-CD 3.39Å; P280-T282 PolarHBondContact O-N 2.78Å |
| 281 | L | 48.5 | Very low | 49.3 | Very low | 68 Ų | 68 | 75.7 Ų | 75.7 | 36% | 0.356 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 117.9 | 166 | -69.3 | 169.9 | 0 | 0 | 0 | 104.9 | Y56 I58 S279 F283 | Y56-L281 WeakPolarHBondContact O-CB 3.43Å; Y56-L281 PolarHBondContact O-N 2.72Å; I58-L281 HydrophobicContact CD1-CD2 3.74Å; I58-L281 HydrophobicContact CG1-CD2 3.71Å; I58-L281 HydrophobicContact CG1-CG 4.22Å; S279-L281 PolarHBondContact O-N 3.11Å; L281-F283 PolarHBondContact O-N 3.32Å |
| 282 | T | 44.5 | Very low | 47.3 | Very low | 102 Ų | 102 | 76.8 Ų | 76.8 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -50.2 | 128 | 161.9 | 47.4 | 0 | 0 | 0 | 0 | 106.2 | P280 C284 | P280-T282 PolarHBondContact O-N 2.78Å; T282-C284 VanDerWaalsContact C-N 3.26Å; T282-C284 PolarHBondContact O-N 2.94Å; T282-C284 PolarHBondContact O-SG 2.88Å |
| 283 | F | 34.3 | Very low | 44.9 | Very low | 130 Ų | 130 | 78 Ų | 78 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | trans | -53.8 | 101.8 | 169.1 | -75.1 | -83.4 | 0 | 0 | 0 | 106.7 | Y56 Y96 M143 L281 N285 | Y56-F283 HydrophobicContact CD1-CE1 4.19Å; Y56-F283 HydrophobicContact CD1-CZ 4Å; Y56-F283 HydrophobicContact CE1-CE1 4.18Å; Y56-F283 HydrophobicContact CE1-CZ 4.12Å; Y96-F283 HydrophobicContact CD1-CE2 4.02Å; Y96-F283 HydrophobicContact CG-CE2 4.39Å; M143-F283 HydrophobicContact CE-CE2 4.02Å; L281-F283 PolarHBondContact O-N 3.32Å; F283-N285 PolarHBondContact O-N 3.01Å; F283-N285 VanDerWaalsContact O-N 3.16Å | ||
| 284 | C | 27.2 | Very low | 42.7 | Very low | 95 Ų | 95 | 81.8 Ų | 81.8 | 64% | 0.642 | 44% | 0.439 | S | S | * | . | trans | -65.1 | 118.2 | -176.4 | -72.1 | 0 | 0 | 0 | 0 | 106.9 | T282 E286 | T282-C284 VanDerWaalsContact C-N 3.26Å; T282-C284 PolarHBondContact O-N 2.94Å; T282-C284 PolarHBondContact O-SG 2.88Å; C284-E286 PolarHBondContact O-N 2.71Å | ||
| 285 | N | 26.7 | Very low | 40.4 | Very low | 134 Ų | 134 | 84.2 Ų | 84.2 | 72% | 0.717 | 46% | 0.464 | S | S | * | . | 35.2 | 24.4 | 122.1 | -104.7 | 10.3 | 0 | 0 | 0 | 119.8 | F283 T287 | F283-N285 PolarHBondContact O-N 3.01Å; F283-N285 VanDerWaalsContact O-N 3.16Å; N285-T287 PolarHBondContact O-N 2.76Å | |||
| 286 | E | 24.4 | Very low | 38 | Very low | 185 Ų | 185 | 91.5 Ų | 91.5 | 86% | 0.864 | 50% | 0.503 | S | S | * | . | trans | -73.7 | 71.2 | 162 | -75.8 | -167.7 | 178.4 | 0 | 0 | 108 | C284 | C284-E286 PolarHBondContact O-N 2.71Š| ||
| 287 | T | 26.8 | Very low | 35.7 | Very low | 83 Ų | 83 | 98.5 Ų | 98.5 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | trans | 176.1 | 105.4 | 147.2 | 25.8 | 0 | 0 | 0 | 0 | 107.1 | N285 D289 | N285-T287 PolarHBondContact O-N 2.76Å; T287-D289 PolarHBondContact O-N 3.09Å | ||
| 288 | N | 25.4 | Very low | 33.3 | Very low | 164 Ų | 164 | 104.1 Ų | 104.1 | 88% | 0.877 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -67.7 | 20 | 162.8 | -88.3 | -22 | 0 | 0 | 0 | 112.5 | ||
| 289 | D | 25.9 | Very low | 31 | Very low | 139 Ų | 139 | 111.9 Ų | 111.9 | 74% | 0.743 | 60% | 0.601 | S | S | * | * | trans | -112.9 | 25.7 | -171 | -65.9 | -28.3 | 0 | 0 | 0 | 112.6 | T287 E291 | T287-D289 PolarHBondContact O-N 3.09Å; D289-E291 PolarHBondContact O-N 2.92Å | ||
| 290 | I | 26.3 | Very low | 28.9 | Very low | 91 Ų | 91 | 120.3 Ų | 120.3 | 47% | 0.467 | 63% | 0.63 | S | S | . | * | trans | -89.4 | 78.8 | -178.7 | -49.2 | 174.8 | 0 | 0 | 0 | 110 | N292 I293 | I290-N292 VanDerWaalsContact C-N 3.35Å; I290-I293 HydrophobicContact CG2-CD1 4.27Å; I290-I293 HydrophobicContact CG2-CG1 3.64Å | ||
| 291 | E | 23.3 | Very low | 27.1 | Very low | 184 Ų | 184 | 125.2 Ų | 125.2 | 86% | 0.86 | 65% | 0.653 | S | S | * | * | trans | -86.1 | 3.9 | 174.7 | -113.3 | -174.9 | -175.2 | 0 | 0 | 114.5 | D289 | D289-E291 PolarHBondContact O-N 2.92Š| ||
| 292 | N | 25.2 | Very low | 25.8 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 62% | 0.62 | 68% | 0.675 | S | S | * | * | trans | -143.1 | 76.2 | -176.8 | -73.4 | -59.9 | 0 | 0 | 0 | 112.6 | I290 | I290-N292 VanDerWaalsContact C-N 3.35Š| ||
| 293 | I | 24.6 | Very low | 24.7 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 34% | 0.344 | 68% | 0.679 | S | S | . | * | trans | -84.5 | 123.9 | 166.9 | -56.6 | 178 | 0 | 0 | 0 | 108.2 | I290 G295 M297 M301 | I290-I293 HydrophobicContact CG2-CD1 4.27Å; I290-I293 HydrophobicContact CG2-CG1 3.64Å; I293-G295 PolarHBondContact O-N 3.18Å; I293-M297 HydrophobicContact CG2-CB 3.99Å; I293-M301 HydrophobicContact CD1-CE 3.55Å; I293-M301 HydrophobicContact CD1-SD 3.76Å | ||
| 294 | P | 24.6 | Very low | 24 | Very low | 89 Ų | 89 | 128.6 Ų | 128.6 | 58% | 0.578 | 69% | 0.685 | S | S | * | * | trans | -59.8 | 128.2 | 170 | -17.7 | 30.1 | 0 | 0 | 0 | 109.5 | N296 M297 | P294-N296 PolarHBondContact O-N 2.87Å; P294-M297 PolarHBondContact O-N 3.17Å | ||
| 295 | G | 23.3 | Very low | 23.8 | Very low | 53 Ų | 53 | 131 Ų | 131 | 55% | 0.546 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -54.8 | -12.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | I293 M297 | I293-G295 PolarHBondContact O-N 3.18Å; G295-M297 VanDerWaalsContact C-N 3.35Å |
| 296 | N | 25.5 | Very low | 23.4 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 83% | 0.834 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -79.7 | -17 | 179.7 | -50.6 | 7.2 | 0 | 0 | 0 | 112.4 | P294 | P294-N296 PolarHBondContact O-N 2.87Š|
| 297 | M | 22.7 | Very low | 23.2 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 73% | 0.729 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -89.7 | -3.9 | 174.9 | -90.9 | -178.4 | 166.1 | 0 | 0 | 113.8 | I293 P294 G295 H299 | I293-M297 HydrophobicContact CG2-CB 3.99Å; P294-M297 PolarHBondContact O-N 3.17Å; G295-M297 VanDerWaalsContact C-N 3.35Å; M297-H299 PolarHBondContact O-N 3.28Å; M297-H299 VanDerWaalsContact O-N 3.12Å |
| 298 | M | 21.8 | Very low | 22.8 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -9.1 | -175.9 | -76.8 | -109 | -72.8 | 0 | 0 | 114.8 | Y300 | M298-Y300 PolarHBondContact O-N 2.84Š|
| 299 | H | 22.5 | Very low | 22.7 | Very low | 168 Ų | 168 | 124.9 Ų | 124.9 | 78% | 0.778 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -9.3 | -173.5 | -89.9 | -60.3 | 0 | 0 | 0 | 116.4 | M297 | M297-H299 PolarHBondContact O-N 3.28Å; M297-H299 VanDerWaalsContact O-N 3.12Å |
| 300 | Y | 23.5 | Very low | 22.4 | Very low | 205 Ų | 205 | 125.4 Ų | 125.4 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -120.6 | 2.5 | 179.6 | -74.3 | -82.2 | 0 | 0 | 0 | 115.3 | M298 N302 | M298-Y300 PolarHBondContact O-N 2.84Å; Y300-N302 VanDerWaalsContact C-N 3.26Å; Y300-N302 PolarHBondContact O-N 2.82Å |
| 301 | M | 22.5 | Very low | 22.1 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 61% | 0.611 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -10.3 | 178.4 | -106.2 | -171.8 | 174.8 | 0 | 0 | 114.9 | I293 | I293-M301 HydrophobicContact CD1-CE 3.55Å; I293-M301 HydrophobicContact CD1-SD 3.76Å |
| 302 | N | 20.7 | Very low | 22 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 83% | 0.834 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 1.3 | -175.1 | -91.6 | -2.4 | 0 | 0 | 0 | 115.8 | Y300 S304 | Y300-N302 VanDerWaalsContact C-N 3.26Å; Y300-N302 PolarHBondContact O-N 2.82Å; N302-S304 PolarHBondContact O-N 2.88Å; N302-S304 VanDerWaalsContact O-N 3.16Å |
| 303 | T | 20.8 | Very low | 21.7 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 69% | 0.693 | 68% | 0.675 | S | S | * | * | trans | -86.9 | 77.4 | 158.8 | 48.2 | 0 | 0 | 0 | 0 | 107.6 | M305 | T303-M305 PolarHBondContact O-N 2.72Š| ||
| 304 | S | 20.8 | Very low | 21.5 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | trans | -53.1 | 99.8 | 144.9 | 48.3 | 0 | 0 | 0 | 0 | 105 | N302 N306 | N302-S304 PolarHBondContact O-N 2.88Å; N302-S304 VanDerWaalsContact O-N 3.16Å; S304-N306 PolarHBondContact O-N 3.16Å | ||
| 305 | M | 21.8 | Very low | 21.4 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | trans | -68.2 | 91.9 | 167.4 | -149.8 | 175.9 | -128.2 | 0 | 0 | 103 | T303 I307 | T303-M305 PolarHBondContact O-N 2.72Å; M305-I307 PolarHBondContact O-N 3.48Å | ||
| 306 | N | 18.5 | Very low | 21.3 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | trans | -63.9 | 84.9 | 168.5 | -143.3 | 12.8 | 0 | 0 | 0 | 103.2 | S304 T308 | S304-N306 PolarHBondContact O-N 3.16Å; N306-T308 PolarHBondContact O-N 3.19Å | ||
| 307 | I | 21.6 | Very low | 21.2 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 67% | 0.672 | 71% | 0.707 | S | S | * | * | trans | -68 | 83.2 | 160.6 | -55 | 176 | 0 | 0 | 0 | 101.8 | M305 S309 | M305-I307 PolarHBondContact O-N 3.48Å; I307-S309 PolarHBondContact O-N 2.83Å | ||
| 308 | T | 18.3 | Very low | 21.2 | Very low | 104 Ų | 104 | 134 Ų | 134 | 64% | 0.638 | 71% | 0.712 | S | S | * | * | trans | -63.1 | 72.9 | 154.5 | 48.8 | 0 | 0 | 0 | 0 | 104.5 | N306 D310 | N306-T308 PolarHBondContact O-N 3.19Å; T308-D310 VanDerWaalsContact C-N 3.32Å; T308-D310 PolarHBondContact O-N 2.69Å; T308-D310 VanDerWaalsContact O-N 3.12Å | ||
| 309 | S | 22.2 | Very low | 21.2 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 50% | 0.503 | 71% | 0.712 | S | S | . | * | trans | -65.6 | 110.4 | 158.4 | 68.5 | 0 | 0 | 0 | 0 | 102.3 | I307 V311 | I307-S309 PolarHBondContact O-N 2.83Å; S309-V311 PolarHBondContact O-N 2.64Å; S309-V311 WeakPolarHBondContact OG-CG2 3.28Å | ||
| 310 | D | 19.5 | Very low | 21.2 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | trans | -63.4 | 49.6 | 159.9 | -69 | -36.8 | 0 | 0 | 0 | 109 | T308 V312 | T308-D310 VanDerWaalsContact C-N 3.32Å; T308-D310 PolarHBondContact O-N 2.69Å; T308-D310 VanDerWaalsContact O-N 3.12Å; D310-V312 PolarHBondContact O-N 3.06Å | ||
| 311 | V | 21.3 | Very low | 21 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 61% | 0.606 | 72% | 0.716 | S | S | * | * | trans | -68.4 | 84.5 | 158.9 | 177.9 | 0 | 0 | 0 | 0 | 102.8 | S309 C313 | S309-V311 PolarHBondContact O-N 2.64Å; S309-V311 WeakPolarHBondContact OG-CG2 3.28Å; V311-C313 PolarHBondContact O-N 2.77Å | ||
| 312 | V | 19.6 | Very low | 21 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | trans | -49.5 | 98.2 | 150.6 | -179.5 | 0 | 0 | 0 | 0 | 103.6 | D310 E314 | D310-V312 PolarHBondContact O-N 3.06Å; V312-E314 PolarHBondContact O-N 3.24Å | ||
| 313 | C | 20.3 | Very low | 21 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | trans | -59.7 | 90.5 | 159.7 | -67.9 | 0 | 0 | 0 | 0 | 104 | V311 D315 | V311-C313 PolarHBondContact O-N 2.77Å; C313-D315 PolarHBondContact O-N 3.13Å | ||
| 314 | E | 20.8 | Very low | 21.1 | Very low | 169 Ų | 169 | 127.8 Ų | 127.8 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -56.3 | 117.8 | 167.4 | -117.5 | 178.7 | 171.9 | 0 | 0 | 105.3 | V312 I316 | V312-E314 PolarHBondContact O-N 3.24Å; E314-I316 VanDerWaalsContact C-N 3.27Å; E314-I316 PolarHBondContact O-N 3Å | ||
| 315 | D | 20.6 | Very low | 21 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | trans | -49.9 | 84.3 | -179.8 | -95.2 | -37.3 | 0 | 0 | 0 | 110.8 | C313 Q317 | C313-D315 PolarHBondContact O-N 3.13Å; D315-Q317 HydrophobicContact CB-CG 3.91Å; D315-Q317 PolarHBondContact O-N 3.31Å | ||
| 316 | I | 23.1 | Very low | 20.9 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | trans | -77.8 | 78.8 | 163.9 | -56.5 | 177.2 | 0 | 0 | 0 | 105.6 | E314 N318 | E314-I316 VanDerWaalsContact C-N 3.27Å; E314-I316 PolarHBondContact O-N 3Å; I316-N318 PolarHBondContact O-N 3.21Å | ||
| 317 | Q | 21.8 | Very low | 20.9 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 73% | 0.729 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 11.9 | -172.4 | -73.7 | -153.2 | -27.5 | 0 | 0 | 116.5 | D315 | D315-Q317 HydrophobicContact CB-CG 3.91Å; D315-Q317 PolarHBondContact O-N 3.31Å |
| 318 | N | 23.7 | Very low | 20.9 | Very low | 155 Ų | 155 | 127 Ų | 127 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145 | 22.2 | -169 | -86.5 | -33 | 0 | 0 | 0 | 117.5 | I316 | I316-N318 PolarHBondContact O-N 3.21Š|
| 319 | T | 22.4 | Very low | 21 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 63% | 0.632 | 74% | 0.743 | S | S | * | * | trans | -122.7 | 95.1 | 167 | 41.6 | 0 | 0 | 0 | 0 | 109.7 | C321 | T319-C321 VanDerWaalsContact C-N 3.27Å; T319-C321 PolarHBondContact O-N 2.68Å | ||
| 320 | E | 21 | Very low | 20.9 | Very low | 194 Ų | 194 | 133.8 Ų | 133.8 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | trans | -45.6 | 99 | 152.8 | -70.3 | 179.5 | 162.8 | 0 | 0 | 107.6 | S322 | E320-S322 PolarHBondContact O-N 2.87Š| ||
| 321 | C | 21 | Very low | 21 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | trans | -66.8 | 95.3 | 165.9 | -77.6 | 0 | 0 | 0 | 0 | 105.4 | T319 V323 | T319-C321 VanDerWaalsContact C-N 3.27Å; T319-C321 PolarHBondContact O-N 2.68Å; C321-V323 VanDerWaalsContact C-N 3.31Å; C321-V323 PolarHBondContact O-N 2.81Å | ||
| 322 | S | 21 | Very low | 21.1 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | -61.8 | 101.9 | 169.2 | 35.9 | 0 | 0 | 0 | 0 | 106.8 | E320 T324 | E320-S322 PolarHBondContact O-N 2.87Å; S322-T324 PolarHBondContact O-N 3.27Å; S322-T324 PolarHBondContact O-OG1 3.42Å | ||
| 323 | V | 22 | Very low | 21.1 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | -68.4 | 72.2 | 163.5 | -173.9 | 0 | 0 | 0 | 0 | 105.8 | C321 G325 | C321-V323 VanDerWaalsContact C-N 3.31Å; C321-V323 PolarHBondContact O-N 2.81Å; V323-G325 PolarHBondContact O-N 3.01Å | ||
| 324 | T | 21.3 | Very low | 21.3 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -73.1 | 83.4 | 166.5 | 20.8 | 0 | 0 | 0 | 0 | 106.5 | S322 C326 | S322-T324 PolarHBondContact O-N 3.27Å; S322-T324 PolarHBondContact O-OG1 3.42Å; T324-C326 PolarHBondContact O-N 2.8Å | ||
| 325 | G | 20.4 | Very low | 21.2 | Very low | 58 Ų | 58 | 135.4 Ų | 135.4 | 60% | 0.598 | 77% | 0.771 | S | S | * | * | trans | -44.3 | 125.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V323 N327 | V323-G325 PolarHBondContact O-N 3.01Å; G325-N327 PolarHBondContact O-N 3.47Å | ||
| 326 | C | 18.9 | Very low | 21.2 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -46.6 | 105.9 | 179.4 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | T324 I328 | T324-C326 PolarHBondContact O-N 2.8Å; C326-I328 PolarHBondContact O-N 2.95Å | ||
| 327 | N | 19.3 | Very low | 21 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -75.3 | 122.8 | 173.5 | -133.6 | -6.6 | 0 | 0 | 0 | 107.7 | G325 T329 | G325-N327 PolarHBondContact O-N 3.47Å; N327-T329 PolarHBondContact O-N 3.39Å | ||
| 328 | I | 20.8 | Very low | 20.9 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 94.6 | -172.9 | -58.2 | 158.1 | 0 | 0 | 0 | 108.3 | C326 | C326-I328 PolarHBondContact O-N 2.95Š| ||
| 329 | T | 20.3 | Very low | 20.8 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -116.8 | 115.5 | 166.8 | 37.7 | 0 | 0 | 0 | 0 | 110.2 | N327 | N327-T329 PolarHBondContact O-N 3.39Š| ||
| 330 | K | 20.3 | Very low | 20.7 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -51.3 | 157.7 | 179.9 | -78.4 | 177.6 | 176.8 | 177.8 | 0 | 112.8 | I332 | K330-I332 PolarHBondContact O-N 2.8Š| ||
| 331 | P | 22.2 | Very low | 20.8 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -65.9 | 119.1 | -171.2 | -1.5 | 14.6 | 0 | 0 | 0 | 110.3 | N333 | P331-N333 PolarHBondContact O-N 2.79Š| ||
| 332 | I | 21.9 | Very low | 20.8 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -81.4 | 99.8 | 165.9 | -63.3 | 171.8 | 0 | 0 | 0 | 106.1 | K330 N334 | K330-I332 PolarHBondContact O-N 2.8Å; I332-N334 PolarHBondContact O-N 3.49Å; I332-N334 VanDerWaalsContact O-N 3.1Å | ||
| 333 | N | 20.5 | Very low | 20.8 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -56 | 107.3 | 161.8 | -94.9 | -10.1 | 0 | 0 | 0 | 108.2 | P331 | P331-N333 PolarHBondContact O-N 2.79Š| ||
| 334 | N | 23.2 | Very low | 20.8 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | trans | -146.1 | 102.6 | 156.5 | -87.1 | -26.5 | 0 | 0 | 0 | 108.1 | I332 M336 | I332-N334 PolarHBondContact O-N 3.49Å; I332-N334 VanDerWaalsContact O-N 3.1Å; N334-M336 PolarHBondContact O-N 3.46Å | ||
| 335 | S | 19 | Very low | 20.8 | Very low | 127 Ų | 127 | 141 Ų | 141 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -48.9 | 113.7 | 153.2 | 49.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 336 | M | 20.9 | Very low | 20.9 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -128.1 | 128.5 | 166.4 | -121 | 177.4 | -147.5 | 0 | 0 | 109.2 | N334 | N334-M336 PolarHBondContact O-N 3.46Š| ||
| 337 | E | 19.3 | Very low | 21 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -61.3 | 149.4 | -168 | -71.5 | 167.8 | 132.2 | 0 | 0 | 114 | S339 | E337-S339 PolarHBondContact O-N 2.91Š| ||
| 338 | V | 19.3 | Very low | 21.2 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -54.7 | 110.7 | 166.6 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | I340 | V338-I340 HydrophobicContact CG1-CD1 4.19Å; V338-I340 HydrophobicContact CG1-CG1 3.79Å | ||
| 339 | S | 21.4 | Very low | 21.4 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | -108.4 | 102.4 | 160.8 | 64.1 | 0 | 0 | 0 | 0 | 109.6 | E337 N341 | E337-S339 PolarHBondContact O-N 2.91Å; S339-N341 PolarHBondContact O-N 3.05Å; S339-N341 VanDerWaalsContact O-N 3.1Å | ||
| 340 | I | 20 | Very low | 21.6 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | -73.7 | 92.8 | 171.7 | -60 | 160.4 | 0 | 0 | 0 | 107.2 | V338 Q342 | V338-I340 HydrophobicContact CG1-CD1 4.19Å; V338-I340 HydrophobicContact CG1-CG1 3.79Å; I340-Q342 HydrophobicContact CG2-CG 4.5Å; I340-Q342 PolarHBondContact O-N 3.13Å | ||
| 341 | N | 23.9 | Very low | 21.7 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -89.2 | 94.6 | 168 | -78.1 | -13.5 | 0 | 0 | 0 | 108.7 | S339 S343 | S339-N341 PolarHBondContact O-N 3.05Å; S339-N341 VanDerWaalsContact O-N 3.1Å; N341-S343 PolarHBondContact O-N 2.98Å | ||
| 342 | Q | 20.2 | Very low | 21.8 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -61.2 | 112.8 | 154.7 | -76.4 | 175.3 | -29.2 | 0 | 0 | 108.1 | I340 | I340-Q342 HydrophobicContact CG2-CG 4.5Å; I340-Q342 PolarHBondContact O-N 3.13Å | ||
| 343 | S | 22.7 | Very low | 21.8 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | -150 | 112.9 | 159.1 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | N341 | N341-S343 PolarHBondContact O-N 2.98Š| ||
| 344 | T | 20.9 | Very low | 21.9 | Very low | 128 Ų | 128 | 138 Ų | 138 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 61.4 | 102.9 | 140.8 | 33.9 | 0 | 0 | 0 | 0 | 119.3 | Q346 | T344-Q346 PolarHBondContact O-N 2.81Å; T344-Q346 VanDerWaalsContact O-N 3.08Å | ||
| 345 | E | 20.9 | Very low | 21.9 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -30.4 | 104.7 | 142.6 | -65.5 | 171.5 | 146.6 | 0 | 0 | 112.1 | ||||
| 346 | Q | 23.1 | Very low | 22 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -106.8 | 102.3 | 158.4 | -94.9 | -174.2 | -12.3 | 0 | 0 | 108.5 | T344 T348 | T344-Q346 PolarHBondContact O-N 2.81Å; T344-Q346 VanDerWaalsContact O-N 3.08Å; Q346-T348 VanDerWaalsContact C-N 3.3Å; Q346-T348 PolarHBondContact O-N 2.71Å | ||
| 347 | T | 20.9 | Very low | 22.1 | Very low | 132 Ų | 132 | 139 Ų | 139 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -51.6 | 87.1 | 163.2 | 35.2 | 0 | 0 | 0 | 0 | 110.5 | N349 | T347-N349 PolarHBondContact O-N 2.88Š| ||
| 348 | T | 24.5 | Very low | 22.2 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | trans | -88.6 | 107.7 | 169.2 | 39.8 | 0 | 0 | 0 | 0 | 108.3 | Q346 N350 | Q346-T348 VanDerWaalsContact C-N 3.3Å; Q346-T348 PolarHBondContact O-N 2.71Å; T348-N350 PolarHBondContact O-N 2.91Å; T348-N350 VanDerWaalsContact O-N 3.09Å | ||
| 349 | N | 25.1 | Very low | 22.6 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -44.4 | 114.1 | 171.7 | -65.2 | -44.5 | 0 | 0 | 0 | 110 | T347 P351 | T347-N349 PolarHBondContact O-N 2.88Å; N349-P351 VanDerWaalsContact O-CD 3.27Å; N349-P351 WeakPolarHBondContact O-CD 3.42Å; N349-P351 VanDerWaalsContact O-N 3.12Å | ||
| 350 | N | 23.1 | Very low | 22.8 | Very low | 148 Ų | 148 | 137 Ų | 137 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -51.6 | 116.8 | 174.3 | -82.4 | -39.7 | 0 | 0 | 0 | 109.4 | T348 V352 | T348-N350 PolarHBondContact O-N 2.91Å; T348-N350 VanDerWaalsContact O-N 3.09Å; N350-V352 PolarHBondContact O-N 3.41Å | ||
| 351 | P | 23.4 | Very low | 23.5 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 66% | 0.662 | 73% | 0.725 | S | S | * | * | trans | -67 | 112 | 167.4 | 26.6 | -28.8 | 0 | 0 | 0 | 107.2 | N349 L353 | N349-P351 VanDerWaalsContact O-CD 3.27Å; N349-P351 WeakPolarHBondContact O-CD 3.42Å; N349-P351 VanDerWaalsContact O-N 3.12Å; P351-L353 HydrophobicContact CG-CD1 4.35Å; P351-L353 PolarHBondContact O-N 3.41Å | ||
| 352 | V | 23 | Very low | 24 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 84% | 0.836 | 71% | 0.712 | S | S | * | * | trans | -62.7 | 90.5 | 167.5 | 178.7 | 0 | 0 | 0 | 0 | 106.4 | N350 P354 | N350-V352 PolarHBondContact O-N 3.41Å; V352-P354 VanDerWaalsContact O-CD 3.27Å; V352-P354 WeakPolarHBondContact O-CD 2.97Å | ||
| 353 | L | 23.2 | Very low | 24.5 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 55% | 0.545 | 70% | 0.704 | S | S | . | * | trans | -69.6 | 117.4 | 174.1 | -93.4 | 112.4 | 0 | 0 | 0 | 108.7 | P351 Y355 | P351-L353 HydrophobicContact CG-CD1 4.35Å; P351-L353 PolarHBondContact O-N 3.41Å; L353-Y355 HydrophobicContact CB-CD2 4.03Å; L353-Y355 HydrophobicContact CB-CE2 3.88Å; L353-Y355 HydrophobicContact CD2-CD2 4.32Å; L353-Y355 HydrophobicContact CD2-CE2 3.43Å; L353-Y355 VanDerWaalsContact CD2-CE2 3.43Å; L353-Y355 WeakPolarHBondContact CD2-OH 3.36Å; L353-Y355 HydrophobicContact CG-CE2 4.24Å; L353-Y355 PolarHBondContact O-N 3.18Å; L353-Y355 VanDerWaalsContact O-N 3.12Å | ||
| 354 | P | 22 | Very low | 25 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | trans | -84.8 | 85.3 | 176.9 | 33.7 | -27.6 | 0 | 0 | 0 | 107.9 | V352 T356 | V352-P354 VanDerWaalsContact O-CD 3.27Å; V352-P354 WeakPolarHBondContact O-CD 2.97Å; P354-T356 PolarHBondContact O-N 3.36Å; P354-T356 VanDerWaalsContact O-N 3.11Å | ||
| 355 | Y | 24.3 | Very low | 25.6 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 64% | 0.635 | 68% | 0.684 | S | S | * | * | trans | -83.6 | 77.6 | 165 | -74.1 | -69.8 | 0 | 0 | 0 | 109.2 | L353 F357 | L353-Y355 HydrophobicContact CB-CD2 4.03Å; L353-Y355 HydrophobicContact CB-CE2 3.88Å; L353-Y355 HydrophobicContact CD2-CD2 4.32Å; L353-Y355 HydrophobicContact CD2-CE2 3.43Å; L353-Y355 VanDerWaalsContact CD2-CE2 3.43Å; L353-Y355 WeakPolarHBondContact CD2-OH 3.36Å; L353-Y355 HydrophobicContact CG-CE2 4.24Å; L353-Y355 PolarHBondContact O-N 3.18Å; L353-Y355 VanDerWaalsContact O-N 3.12Å; Y355-F357 HydrophobicContact CD1-CD2 4.44Å; Y355-F357 AromaticContact CD1-CE2 3.57Å; Y355-F357 HydrophobicContact CD1-CE2 3.57Å; Y355-F357 AromaticContact CD1-CZ 3.68Å; Y355-F357 HydrophobicContact CD1-CZ 3.68Å; Y355-F357 HydrophobicContact CE1-CE2 4.49Å; Y355-F357 HydrophobicContact CE1-CZ 4.27Å; Y355-F357 HydrophobicContact CG-CD2 4.45Å; Y355-F357 AromaticContact CG-CE2 3.73Å; Y355-F357 HydrophobicContact CG-CE2 3.73Å; Y355-F357 HydrophobicContact CG-CZ 4.3Å; Y355-F357 PolarHBondContact O-N 3.19Å; Y355-F357 VanDerWaalsContact O-N 3.08Å | ||
| 356 | T | 20.4 | Very low | 26.3 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 81% | 0.81 | 66% | 0.66 | S | S | * | * | trans | -74.3 | 82.8 | 156.1 | 46.3 | 0 | 0 | 0 | 0 | 107.5 | P354 S358 | P354-T356 PolarHBondContact O-N 3.36Å; P354-T356 VanDerWaalsContact O-N 3.11Å; T356-S358 PolarHBondContact O-N 2.83Å | ||
| 357 | F | 23.3 | Very low | 26.9 | Very low | 159 Ų | 159 | 121.7 Ų | 121.7 | 70% | 0.697 | 65% | 0.652 | S | S | * | * | trans | -69.1 | 109.5 | 158.6 | -70.4 | -79.6 | 0 | 0 | 0 | 106.2 | Y355 I359 | Y355-F357 HydrophobicContact CD1-CD2 4.44Å; Y355-F357 AromaticContact CD1-CE2 3.57Å; Y355-F357 HydrophobicContact CD1-CE2 3.57Å; Y355-F357 AromaticContact CD1-CZ 3.68Å; Y355-F357 HydrophobicContact CD1-CZ 3.68Å; Y355-F357 HydrophobicContact CE1-CE2 4.49Å; Y355-F357 HydrophobicContact CE1-CZ 4.27Å; Y355-F357 HydrophobicContact CG-CD2 4.45Å; Y355-F357 AromaticContact CG-CE2 3.73Å; Y355-F357 HydrophobicContact CG-CE2 3.73Å; Y355-F357 HydrophobicContact CG-CZ 4.3Å; Y355-F357 PolarHBondContact O-N 3.19Å; Y355-F357 VanDerWaalsContact O-N 3.08Å; F357-I359 VanDerWaalsContact C-N 3.25Å; F357-I359 PolarHBondContact O-N 2.73Å | ||
| 358 | S | 21.7 | Very low | 27.6 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 74% | 0.741 | 65% | 0.646 | S | S | * | * | trans | -63.6 | 98.1 | 164.3 | 49.3 | 0 | 0 | 0 | 0 | 106.3 | T356 L360 | T356-S358 PolarHBondContact O-N 2.83Å; S358-L360 PolarHBondContact O-N 3.49Å | ||
| 359 | I | 26.4 | Very low | 28 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | trans | -64.3 | 82.7 | 160.6 | -53.4 | 172.6 | 0 | 0 | 0 | 104.2 | F357 S361 | F357-I359 VanDerWaalsContact C-N 3.25Å; F357-I359 PolarHBondContact O-N 2.73Å; I359-S361 PolarHBondContact O-N 2.93Å | ||
| 360 | L | 25.3 | Very low | 28.4 | Very low | 120 Ų | 120 | 116.1 Ų | 116.1 | 63% | 0.628 | 62% | 0.622 | S | S | * | * | trans | -48.8 | 107.9 | 145.6 | -102.8 | 152.3 | 0 | 0 | 0 | 102.8 | S358 Y362 | S358-L360 PolarHBondContact O-N 3.49Å; L360-Y362 VanDerWaalsContact C-N 3.33Å; L360-Y362 PolarHBondContact O-N 2.71Å | ||
| 361 | S | 35.7 | Very low | 28.9 | Very low | 48 Ų | 48 | 115.9 Ų | 115.9 | 34% | 0.336 | 62% | 0.616 | S | S | . | * | trans | -48.5 | 104 | -171.4 | 56.4 | 0 | 0 | 0 | 0 | 106.9 | I359 E363 Q364 | I359-S361 PolarHBondContact O-N 2.93Å; S361-E363 PolarHBondContact O-N 2.84Å; S361-Q364 WeakPolarHBondContact O-CB 3.29Å; S361-Q364 PolarHBondContact O-N 2.91Å; S361-Q364 PolarHBondContact OG-OE1 2.76Å | ||
| 362 | Y | 34.4 | Very low | 29.4 | Very low | 116 Ų | 116 | 120 Ų | 120 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.2 | -16.5 | -176.1 | -171.1 | -105.3 | 0 | 0 | 0 | 109.4 | L360 Q364 Q365 L366 | L360-Y362 VanDerWaalsContact C-N 3.33Å; L360-Y362 PolarHBondContact O-N 2.71Å; Y362-Q364 VanDerWaalsContact C-N 3.26Å; Y362-Q364 PolarHBondContact O-N 3.05Å; Y362-Q365 HydrophobicContact CD2-CB 4Å; Y362-Q365 VanDerWaalsContact CD2-OE1 3.28Å; Y362-Q365 HydrophobicContact CE2-CB 4.24Å; Y362-Q365 CarbonylContact O-C 3.56Å; Y362-Q365 PolarHBondContact O-N 2.94Å; Y362-Q365 VanDerWaalsContact O-N 3.11Å; Y362-L366 HydrophobicContact CD1-CD1 3.35Å; Y362-L366 HydrophobicContact CD1-CG 3.85Å; Y362-L366 HydrophobicContact CE1-CD1 3.49Å; Y362-L366 VanDerWaalsContact CE1-CD1 3.49Å; Y362-L366 HydrophobicContact CE1-CG 3.65Å; Y362-L366 HydrophobicContact CG-CD1 4.48Å; Y362-L366 VanDerWaalsContact O-CB 3.3Å; Y362-L366 WeakPolarHBondContact O-CB 3.45Å; Y362-L366 PolarHBondContact O-N 3.17Å |
| 363 | E | 30.4 | Very low | 30.5 | Very low | 152 Ų | 152 | 118.1 Ų | 118.1 | 71% | 0.71 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -48.7 | -40.5 | 162.2 | -65.8 | -169.4 | 160.4 | 0 | 0 | 113.7 | S361 L367 | S361-E363 PolarHBondContact O-N 2.84Å; E363-L367 WeakPolarHBondContact O-CB 3.27Å; E363-L367 PolarHBondContact O-N 2.79Å |
| 364 | Q | 34 | Very low | 31.3 | Very low | 129 Ų | 129 | 117 Ų | 117 | 60% | 0.603 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.7 | -40.8 | 174.6 | -87 | 178.4 | -35 | 0 | 0 | 112.2 | S361 Y362 L366 L367 E368 | S361-Q364 WeakPolarHBondContact O-CB 3.29Å; S361-Q364 PolarHBondContact O-N 2.91Å; S361-Q364 PolarHBondContact OG-OE1 2.76Å; Y362-Q364 VanDerWaalsContact C-N 3.26Å; Y362-Q364 PolarHBondContact O-N 3.05Å; Q364-L366 VanDerWaalsContact C-N 3.35Å; Q364-L367 PolarHBondContact O-N 3.49Å; Q364-E368 PolarHBondContact O-N 3.49Å; Q364-E368 VanDerWaalsContact O-N 3.13Å |
| 365 | Q | 33.5 | Very low | 32.6 | Very low | 91 Ų | 91 | 115.3 Ų | 115.3 | 43% | 0.425 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.4 | -33.8 | 176.4 | -69.3 | -175.7 | -2.3 | 0 | 0 | 111.9 | Y362 E368 A369 | Y362-Q365 HydrophobicContact CD2-CB 4Å; Y362-Q365 VanDerWaalsContact CD2-OE1 3.28Å; Y362-Q365 HydrophobicContact CE2-CB 4.24Å; Y362-Q365 CarbonylContact O-C 3.56Å; Y362-Q365 PolarHBondContact O-N 2.94Å; Y362-Q365 VanDerWaalsContact O-N 3.11Å; Q365-E368 PolarHBondContact O-N 3.23Å; Q365-A369 VanDerWaalsContact O-CB 3.26Å; Q365-A369 WeakPolarHBondContact O-CB 3.36Å; Q365-A369 PolarHBondContact O-N 2.85Å |
| 366 | L | 33.9 | Very low | 33.7 | Very low | 76 Ų | 76 | 112.4 Ų | 112.4 | 40% | 0.398 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.4 | -38.1 | 172.3 | -97.8 | 156.4 | 0 | 0 | 0 | 111.3 | Y362 Q364 E368 A369 S370 | Y362-L366 HydrophobicContact CD1-CD1 3.35Å; Y362-L366 HydrophobicContact CD1-CG 3.85Å; Y362-L366 HydrophobicContact CE1-CD1 3.49Å; Y362-L366 VanDerWaalsContact CE1-CD1 3.49Å; Y362-L366 HydrophobicContact CE1-CG 3.65Å; Y362-L366 HydrophobicContact CG-CD1 4.48Å; Y362-L366 VanDerWaalsContact O-CB 3.3Å; Y362-L366 WeakPolarHBondContact O-CB 3.45Å; Y362-L366 PolarHBondContact O-N 3.17Å; Q364-L366 VanDerWaalsContact C-N 3.35Å; L366-E368 VanDerWaalsContact C-N 3.25Å; L366-E368 PolarHBondContact O-N 2.72Å; L366-A369 PolarHBondContact O-N 2.91Å; L366-S370 WeakPolarHBondContact O-CB 3.35Å; L366-S370 PolarHBondContact O-N 3.5Å; L366-S370 PolarHBondContact O-OG 2.81Å |
| 367 | L | 35.4 | Very low | 35.3 | Very low | 116 Ų | 116 | 112 Ų | 112 | 61% | 0.607 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.7 | -40 | 172.3 | -116.5 | 102.2 | 0 | 0 | 0 | 110.9 | E363 Q364 Q371 | E363-L367 WeakPolarHBondContact O-CB 3.27Å; E363-L367 PolarHBondContact O-N 2.79Å; Q364-L367 PolarHBondContact O-N 3.49Å; L367-Q371 WeakPolarHBondContact O-CB 3.44Å; L367-Q371 VanDerWaalsContact O-CG 3.32Å; L367-Q371 WeakPolarHBondContact O-CG 3.16Å; L367-Q371 PolarHBondContact O-N 2.93Å |
| 368 | E | 36.1 | Very low | 36.6 | Very low | 147 Ų | 147 | 108.3 Ų | 108.3 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.7 | -38.4 | 176.7 | -73.7 | -174.7 | 161.8 | 0 | 0 | 113.4 | Q364 Q365 L366 | Q364-E368 PolarHBondContact O-N 3.49Å; Q364-E368 VanDerWaalsContact O-N 3.13Å; Q365-E368 PolarHBondContact O-N 3.23Å; L366-E368 VanDerWaalsContact C-N 3.25Å; L366-E368 PolarHBondContact O-N 2.72Å |
| 369 | A | 34.2 | Very low | 38.2 | Very low | 62 Ų | 62 | 105.9 Ų | 105.9 | 51% | 0.512 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -79.4 | -38.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q365 L366 Q371 K372 | Q365-A369 VanDerWaalsContact O-CB 3.26Å; Q365-A369 WeakPolarHBondContact O-CB 3.36Å; Q365-A369 PolarHBondContact O-N 2.85Å; L366-A369 PolarHBondContact O-N 2.91Å; A369-Q371 VanDerWaalsContact C-N 3.26Å; A369-Q371 PolarHBondContact O-N 2.87Å; A369-K372 WeakPolarHBondContact O-CB 3.18Å; A369-K372 PolarHBondContact O-N 2.83Å |
| 370 | S | 33.2 | Very low | 39.4 | Very low | 76 Ų | 76 | 107.1 Ų | 107.1 | 53% | 0.531 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.2 | -25.6 | 173.2 | 64.3 | 0 | 0 | 0 | 0 | 112.1 | L366 K372 V373 | L366-S370 WeakPolarHBondContact O-CB 3.35Å; L366-S370 PolarHBondContact O-N 3.5Å; L366-S370 PolarHBondContact O-OG 2.81Å; S370-K372 PolarHBondContact O-N 2.86Å; S370-K372 VanDerWaalsContact O-N 3.17Å; S370-V373 PolarHBondContact O-N 3.42Å |
| 371 | Q | 32.5 | Very low | 41 | Very low | 144 Ų | 144 | 109.6 Ų | 109.6 | 67% | 0.673 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -63.3 | -13.9 | 167.5 | -91.8 | -175.9 | -7.4 | 0 | 0 | 114 | L367 A369 | L367-Q371 WeakPolarHBondContact O-CB 3.44Å; L367-Q371 VanDerWaalsContact O-CG 3.32Å; L367-Q371 WeakPolarHBondContact O-CG 3.16Å; L367-Q371 PolarHBondContact O-N 2.93Å; A369-Q371 VanDerWaalsContact C-N 3.26Å; A369-Q371 PolarHBondContact O-N 2.87Å |
| 372 | K | 35.3 | Very low | 42.2 | Very low | 189 Ų | 189 | 112.8 Ų | 112.8 | 82% | 0.822 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -83.7 | -18.5 | -178.8 | -113.9 | 178.7 | -176.8 | 175.5 | 0 | 114.8 | A369 S370 | A369-K372 WeakPolarHBondContact O-CB 3.18Å; A369-K372 PolarHBondContact O-N 2.83Å; S370-K372 PolarHBondContact O-N 2.86Å; S370-K372 VanDerWaalsContact O-N 3.17Å |
| 373 | V | 44.5 | Very low | 43.4 | Very low | 97 Ų | 97 | 109.8 Ų | 109.8 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -124.3 | 67.2 | 169.1 | -168.1 | 0 | 0 | 0 | 0 | 107 | S370 V375 I378 | S370-V373 PolarHBondContact O-N 3.42Å; V373-V375 PolarHBondContact O-N 3.15Å; V373-I378 HydrophobicContact CG1-CD1 4.17Å |
| 374 | D | 41.1 | Very low | 44.9 | Very low | 82 Ų | 82 | 107.3 Ų | 107.3 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | trans | -63.5 | 92.4 | 173.8 | -167.3 | 7.5 | 0 | 0 | 0 | 107.2 | D376 F377 I378 | D374-D376 PolarHBondContact O-N 3.21Å; D374-D376 VanDerWaalsContact OD1-CB 3.27Å; D374-D376 WeakPolarHBondContact OD1-CB 3.31Å; D374-F377 HydrophobicContact CB-CB 3.67Å; D374-F377 VanDerWaalsContact O-CA 3.31Å; D374-F377 WeakPolarHBondContact O-CA 3.29Å; D374-F377 WeakPolarHBondContact O-CB 2.87Å; D374-F377 PolarHBondContact O-N 3.01Å; D374-I378 PolarHBondContact O-N 2.95Å | ||
| 375 | V | 48.2 | Very low | 46.2 | Very low | 71 Ų | 71 | 105 Ų | 105 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -54.8 | -34.2 | 177.4 | 180 | 0 | 0 | 0 | 0 | 108.8 | V373 F377 I378 I379 | V373-V375 PolarHBondContact O-N 3.15Å; V375-F377 VanDerWaalsContact C-N 3.31Å; V375-F377 PolarHBondContact O-N 2.79Å; V375-I378 PolarHBondContact O-N 3.36Å; V375-I379 HydrophobicContact CG1-CD1 3.74Å; V375-I379 HydrophobicContact CG1-CG1 4.27Å; V375-I379 WeakPolarHBondContact O-CB 3.3Å; V375-I379 VanDerWaalsContact O-CG1 3.22Å; V375-I379 WeakPolarHBondContact O-CG1 3.48Å; V375-I379 PolarHBondContact O-N 3.14Å |
| 376 | D | 49 | Very low | 47.7 | Very low | 102 Ų | 102 | 103.8 Ų | 103.8 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -34.6 | 171.1 | -104 | 12.3 | 0 | 0 | 0 | 112.6 | D374 R380 | D374-D376 PolarHBondContact O-N 3.21Å; D374-D376 VanDerWaalsContact OD1-CB 3.27Å; D374-D376 WeakPolarHBondContact OD1-CB 3.31Å; D376-R380 WeakPolarHBondContact O-CB 3.45Å; D376-R380 WeakPolarHBondContact O-CG 3.49Å; D376-R380 PolarHBondContact O-N 2.91Å |
| 377 | F | 52.3 | Low | 49.3 | Very low | 122 Ų | 122 | 104.5 Ų | 104.5 | 54% | 0.535 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.5 | -43.2 | 173.2 | -173.1 | -95.2 | 0 | 0 | 0 | 112.3 | D374 V375 R380 R381 | D374-F377 HydrophobicContact CB-CB 3.67Å; D374-F377 VanDerWaalsContact O-CA 3.31Å; D374-F377 WeakPolarHBondContact O-CA 3.29Å; D374-F377 WeakPolarHBondContact O-CB 2.87Å; D374-F377 PolarHBondContact O-N 3.01Å; V375-F377 VanDerWaalsContact C-N 3.31Å; V375-F377 PolarHBondContact O-N 2.79Å; F377-R380 PolarHBondContact O-N 3.28Å; F377-R381 WeakPolarHBondContact O-CB 3.41Å; F377-R381 PolarHBondContact O-N 3.13Å |
| 378 | I | 51.8 | Low | 51 | Low | 82 Ų | 82 | 103.3 Ų | 103.3 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 176.3 | -62.5 | 177.7 | 0 | 0 | 0 | 109.7 | V373 D374 V375 R380 R381 F382 | V373-I378 HydrophobicContact CG1-CD1 4.17Å; D374-I378 PolarHBondContact O-N 2.95Å; V375-I378 PolarHBondContact O-N 3.36Å; I378-R380 PolarHBondContact O-N 3.09Å; I378-R381 PolarHBondContact O-N 3.25Å; I378-F382 WeakPolarHBondContact O-CB 3.35Å; I378-F382 PolarHBondContact O-N 3.13Å |
| 379 | I | 54 | Low | 52.6 | Low | 55 Ų | 55 | 99.2 Ų | 99.2 | 28% | 0.282 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 177 | -69 | 172.3 | 0 | 0 | 0 | 110.1 | V375 R381 F382 T383 | V375-I379 HydrophobicContact CG1-CD1 3.74Å; V375-I379 HydrophobicContact CG1-CG1 4.27Å; V375-I379 WeakPolarHBondContact O-CB 3.3Å; V375-I379 VanDerWaalsContact O-CG1 3.22Å; V375-I379 WeakPolarHBondContact O-CG1 3.48Å; V375-I379 PolarHBondContact O-N 3.14Å; I379-R381 PolarHBondContact O-N 3.05Å; I379-F382 PolarHBondContact O-N 3.11Å; I379-T383 VanDerWaalsContact O-CB 3.23Å; I379-T383 WeakPolarHBondContact O-CB 3.37Å; I379-T383 PolarHBondContact O-N 3.03Å; I379-T383 PolarHBondContact O-OG1 2.89Å |
| 380 | R | 53.1 | Low | 54.3 | Low | 173 Ų | 173 | 100.8 Ų | 100.8 | 65% | 0.653 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.9 | -45 | 175.5 | -85 | 178.1 | 174.5 | -164.7 | 0.6 | 111.8 | D376 F377 I378 F382 T383 I384 | D376-R380 WeakPolarHBondContact O-CB 3.45Å; D376-R380 WeakPolarHBondContact O-CG 3.49Å; D376-R380 PolarHBondContact O-N 2.91Å; F377-R380 PolarHBondContact O-N 3.28Å; I378-R380 PolarHBondContact O-N 3.09Å; R380-F382 VanDerWaalsContact C-N 3.33Å; R380-F382 PolarHBondContact O-N 2.89Å; R380-T383 PolarHBondContact O-N 2.56Å; R380-I384 VanDerWaalsContact O-CB 3.28Å; R380-I384 WeakPolarHBondContact O-CB 3.37Å; R380-I384 WeakPolarHBondContact O-CD1 3.27Å; R380-I384 WeakPolarHBondContact O-CG1 3.34Å; R380-I384 PolarHBondContact O-N 3.19Å |
| 381 | R | 58.5 | Low | 56.2 | Low | 171 Ų | 171 | 102.1 Ų | 102.1 | 65% | 0.645 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66 | -37.4 | -178.8 | -165.8 | 176.6 | -174.6 | -174.7 | 2.1 | 111.7 | F377 I378 I379 S385 | F377-R381 WeakPolarHBondContact O-CB 3.41Å; F377-R381 PolarHBondContact O-N 3.13Å; I378-R381 PolarHBondContact O-N 3.25Å; I379-R381 PolarHBondContact O-N 3.05Å; R381-S385 VanDerWaalsContact O-CB 3.29Å; R381-S385 WeakPolarHBondContact O-CB 3.29Å; R381-S385 PolarHBondContact O-N 2.86Å; R381-S385 PolarHBondContact O-OG 3.22Å |
| 382 | F | 60.9 | Low | 58.1 | Low | 115 Ų | 115 | 100 Ų | 100 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.9 | -47 | 175.4 | -156.1 | -91.2 | 0 | 0 | 0 | 111.3 | I378 I379 R380 I384 S385 L386 | I378-F382 WeakPolarHBondContact O-CB 3.35Å; I378-F382 PolarHBondContact O-N 3.13Å; I379-F382 PolarHBondContact O-N 3.11Å; R380-F382 VanDerWaalsContact C-N 3.33Å; R380-F382 PolarHBondContact O-N 2.89Å; F382-I384 PolarHBondContact O-N 3.24Å; F382-S385 PolarHBondContact O-N 2.72Å; F382-L386 HydrophobicContact CE1-CD1 4.5Å; F382-L386 WeakPolarHBondContact O-CB 3.49Å; F382-L386 PolarHBondContact O-N 2.76Å |
| 383 | T | 59.3 | Low | 60.1 | Low | 53 Ų | 53 | 95.6 Ų | 95.6 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 177.5 | -53 | 0 | 0 | 0 | 0 | 110.9 | I379 R380 L386 L387 | I379-T383 VanDerWaalsContact O-CB 3.23Å; I379-T383 WeakPolarHBondContact O-CB 3.37Å; I379-T383 PolarHBondContact O-N 3.03Å; I379-T383 PolarHBondContact O-OG1 2.89Å; R380-T383 PolarHBondContact O-N 2.56Å; T383-L386 PolarHBondContact O-N 2.76Å; T383-L387 HydrophobicContact CG2-CD1 3.59Å; T383-L387 VanDerWaalsContact O-CB 3.32Å; T383-L387 WeakPolarHBondContact O-CB 3.14Å; T383-L387 PolarHBondContact O-N 3.43Å |
| 384 | I | 62.5 | Low | 61.4 | Low | 101 Ų | 101 | 93.2 Ų | 93.2 | 52% | 0.518 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 174.7 | -68.3 | 164.8 | 0 | 0 | 0 | 110.5 | R380 F382 L386 L387 L388 | R380-I384 VanDerWaalsContact O-CB 3.28Å; R380-I384 WeakPolarHBondContact O-CB 3.37Å; R380-I384 WeakPolarHBondContact O-CD1 3.27Å; R380-I384 WeakPolarHBondContact O-CG1 3.34Å; R380-I384 PolarHBondContact O-N 3.19Å; F382-I384 PolarHBondContact O-N 3.24Å; I384-L386 PolarHBondContact O-N 2.94Å; I384-L387 PolarHBondContact O-N 3.26Å; I384-L388 WeakPolarHBondContact O-CB 3.35Å; I384-L388 PolarHBondContact O-N 2.86Å |
| 385 | S | 62 | Low | 63 | Low | 79 Ų | 79 | 92.4 Ų | 92.4 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.1 | -32.9 | 179.7 | -68 | 0 | 0 | 0 | 0 | 112.6 | R381 F382 P389 | R381-S385 VanDerWaalsContact O-CB 3.29Å; R381-S385 WeakPolarHBondContact O-CB 3.29Å; R381-S385 PolarHBondContact O-N 2.86Å; R381-S385 PolarHBondContact O-OG 3.22Å; F382-S385 PolarHBondContact O-N 2.72Å; S385-P389 WeakPolarHBondContact O-CD 3.3Å |
| 386 | L | 64.3 | Low | 64.3 | Low | 67 Ų | 67 | 93.4 Ų | 93.4 | 35% | 0.351 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -81.1 | -44.4 | 178.9 | -150.7 | 91.3 | 0 | 0 | 0 | 112.2 | T26 F382 T383 I384 P389 F390 | T26-L386 HydrophobicContact CG2-CD2 3.11Å; F382-L386 HydrophobicContact CE1-CD1 4.5Å; F382-L386 WeakPolarHBondContact O-CB 3.49Å; F382-L386 PolarHBondContact O-N 2.76Å; T383-L386 PolarHBondContact O-N 2.76Å; I384-L386 PolarHBondContact O-N 2.94Å; L386-P389 WeakPolarHBondContact O-CD 3.28Å; L386-P389 WeakPolarHBondContact O-CG 3.13Å; L386-F390 WeakPolarHBondContact O-CD2 3.34Å; L386-F390 WeakPolarHBondContact O-CE2 2.97Å |
| 387 | L | 67.8 | Low | 65.4 | Low | 90 Ų | 90 | 93.7 Ų | 93.7 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -76.2 | -33.1 | -177.3 | -95.2 | 142.8 | 0 | 0 | 0 | 114 | T383 I384 F390 L391 | T383-L387 HydrophobicContact CG2-CD1 3.59Å; T383-L387 VanDerWaalsContact O-CB 3.32Å; T383-L387 WeakPolarHBondContact O-CB 3.14Å; T383-L387 PolarHBondContact O-N 3.43Å; I384-L387 PolarHBondContact O-N 3.26Å; L387-F390 PolarHBondContact O-N 2.81Å; L387-F390 VanDerWaalsContact O-N 3.15Å; L387-L391 PolarHBondContact O-N 2.69Å |
| 388 | L | 70.6 | Confident | 66.3 | Low | 92 Ų | 92 | 91.6 Ų | 91.6 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.5 | -47.6 | -175.8 | -170.5 | 72.9 | 0 | 0 | 0 | 113.8 | I384 F390 L391 L392 | I384-L388 WeakPolarHBondContact O-CB 3.35Å; I384-L388 PolarHBondContact O-N 2.86Å; L388-F390 VanDerWaalsContact C-N 3.28Å; L388-F390 PolarHBondContact O-N 2.87Å; L388-L391 PolarHBondContact O-N 3.01Å; L388-L392 HydrophobicContact CG-CD1 4.28Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 2.91Å |
| 389 | P | 68.8 | Low | 67.5 | Low | 60 Ų | 60 | 93 Ų | 93 | 39% | 0.39 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -34.3 | 176.4 | 20.3 | -30.1 | 0 | 0 | 0 | 112.5 | S385 L386 L392 I393 | S385-P389 WeakPolarHBondContact O-CD 3.3Å; L386-P389 WeakPolarHBondContact O-CD 3.28Å; L386-P389 WeakPolarHBondContact O-CG 3.13Å; P389-L392 PolarHBondContact O-N 3.4Å; P389-I393 WeakPolarHBondContact O-CD1 3.17Å; P389-I393 VanDerWaalsContact O-CG1 3.24Å; P389-I393 WeakPolarHBondContact O-CG1 3.45Å; P389-I393 PolarHBondContact O-N 2.63Å |
| 390 | F | 71.3 | Confident | 68.4 | Low | 95 Ų | 95 | 92.8 Ų | 92.8 | 42% | 0.417 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.2 | -40.4 | 176.3 | -67.8 | -74.3 | 0 | 0 | 0 | 112.6 | L386 L387 L388 L392 I393 A394 | L386-F390 WeakPolarHBondContact O-CD2 3.34Å; L386-F390 WeakPolarHBondContact O-CE2 2.97Å; L387-F390 PolarHBondContact O-N 2.81Å; L387-F390 VanDerWaalsContact O-N 3.15Å; L388-F390 VanDerWaalsContact C-N 3.28Å; L388-F390 PolarHBondContact O-N 2.87Å; F390-L392 VanDerWaalsContact C-N 3.29Å; F390-L392 PolarHBondContact O-N 3.24Å; F390-I393 PolarHBondContact O-N 3.27Å; F390-A394 VanDerWaalsContact O-CB 3.3Å; F390-A394 WeakPolarHBondContact O-CB 3.36Å; F390-A394 PolarHBondContact O-N 3.26Å |
| 391 | L | 71.9 | Confident | 69.3 | Low | 104 Ų | 104 | 88.8 Ų | 88.8 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 172.9 | -93.8 | 159 | 0 | 0 | 0 | 111.7 | L387 L388 A394 T395 | L387-L391 PolarHBondContact O-N 2.69Å; L388-L391 PolarHBondContact O-N 3.01Å; L391-A394 PolarHBondContact O-N 2.72Å; L391-T395 WeakPolarHBondContact O-CB 3.38Å; L391-T395 WeakPolarHBondContact O-CG2 3.11Å; L391-T395 PolarHBondContact O-N 3.39Å; L391-T395 PolarHBondContact O-OG1 2.93Å |
| 392 | L | 73.8 | Confident | 69.7 | Low | 100 Ų | 100 | 84.1 Ų | 84.1 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 173.6 | -77.6 | 167.3 | 0 | 0 | 0 | 111.9 | L388 P389 F390 A394 T395 V396 | L388-L392 HydrophobicContact CG-CD1 4.28Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 2.91Å; P389-L392 PolarHBondContact O-N 3.4Å; F390-L392 VanDerWaalsContact C-N 3.29Å; F390-L392 PolarHBondContact O-N 3.24Å; L392-A394 VanDerWaalsContact C-N 3.34Å; L392-A394 PolarHBondContact O-N 2.84Å; L392-T395 WeakPolarHBondContact CA-OG1 3.5Å; L392-T395 PolarHBondContact O-N 2.98Å; L392-T395 PolarHBondContact O-OG1 3.42Å; L392-V396 WeakPolarHBondContact O-CB 3.33Å; L392-V396 VanDerWaalsContact O-CG2 3.23Å; L392-V396 WeakPolarHBondContact O-CG2 3.03Å; L392-V396 PolarHBondContact O-N 2.96Å |
| 393 | I | 75.6 | Confident | 70.1 | Confident | 97 Ų | 97 | 83.7 Ų | 83.7 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.3 | -69.1 | 163.7 | 0 | 0 | 0 | 110.7 | P389 F390 V396 L397 | P389-I393 WeakPolarHBondContact O-CD1 3.17Å; P389-I393 VanDerWaalsContact O-CG1 3.24Å; P389-I393 WeakPolarHBondContact O-CG1 3.45Å; P389-I393 PolarHBondContact O-N 2.63Å; F390-I393 PolarHBondContact O-N 3.27Å; I393-V396 PolarHBondContact O-N 2.97Å; I393-L397 HydrophobicContact CG2-CD1 3.85Å; I393-L397 HydrophobicContact CG2-CG 4.47Å; I393-L397 WeakPolarHBondContact O-CB 3.12Å; I393-L397 WeakPolarHBondContact O-CG 3.01Å; I393-L397 PolarHBondContact O-N 3.15Å |
| 394 | A | 72.9 | Confident | 70.6 | Confident | 46 Ų | 46 | 87 Ų | 87 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | F390 L391 L392 L397 C398 | F390-A394 VanDerWaalsContact O-CB 3.3Å; F390-A394 WeakPolarHBondContact O-CB 3.36Å; F390-A394 PolarHBondContact O-N 3.26Å; L391-A394 PolarHBondContact O-N 2.72Å; L392-A394 VanDerWaalsContact C-N 3.34Å; L392-A394 PolarHBondContact O-N 2.84Å; A394-L397 PolarHBondContact O-N 3.49Å; A394-C398 VanDerWaalsContact O-CB 3.31Å; A394-C398 WeakPolarHBondContact O-CB 3.24Å; A394-C398 PolarHBondContact O-N 3.1Å; A394-C398 PolarHBondContact O-SG 3.18Å |
| 395 | T | 75.2 | Confident | 70.9 | Confident | 66 Ų | 66 | 85.4 Ų | 85.4 | 41% | 0.405 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 176 | 44.1 | 0 | 0 | 0 | 0 | 112 | L391 L392 L397 C398 I399 | L391-T395 WeakPolarHBondContact O-CB 3.38Å; L391-T395 WeakPolarHBondContact O-CG2 3.11Å; L391-T395 PolarHBondContact O-N 3.39Å; L391-T395 PolarHBondContact O-OG1 2.93Å; L392-T395 WeakPolarHBondContact CA-OG1 3.5Å; L392-T395 PolarHBondContact O-N 2.98Å; L392-T395 PolarHBondContact O-OG1 3.42Å; T395-L397 VanDerWaalsContact C-N 3.34Å; T395-L397 PolarHBondContact O-N 3.22Å; T395-C398 PolarHBondContact O-N 3.04Å; T395-I399 WeakPolarHBondContact O-CB 3.44Å; T395-I399 VanDerWaalsContact O-CG1 3.32Å; T395-I399 WeakPolarHBondContact O-CG1 3.16Å; T395-I399 PolarHBondContact O-N 3.08Å |
| 396 | V | 75 | Confident | 71.2 | Confident | 92 Ų | 92 | 89.5 Ų | 89.5 | 56% | 0.558 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.7 | -44.9 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L392 I393 I399 A400 | L392-V396 WeakPolarHBondContact O-CB 3.33Å; L392-V396 VanDerWaalsContact O-CG2 3.23Å; L392-V396 WeakPolarHBondContact O-CG2 3.03Å; L392-V396 PolarHBondContact O-N 2.96Å; I393-V396 PolarHBondContact O-N 2.97Å; V396-I399 PolarHBondContact O-N 2.82Å; V396-A400 WeakPolarHBondContact O-CB 2.78Å; V396-A400 PolarHBondContact O-N 2.92Å |
| 397 | L | 71.5 | Confident | 71.1 | Confident | 108 Ų | 108 | 95.2 Ų | 95.2 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -43.1 | 176.1 | -76 | 167.4 | 0 | 0 | 0 | 111.9 | I393 A394 T395 I399 F401 | I393-L397 HydrophobicContact CG2-CD1 3.85Å; I393-L397 HydrophobicContact CG2-CG 4.47Å; I393-L397 WeakPolarHBondContact O-CB 3.12Å; I393-L397 WeakPolarHBondContact O-CG 3.01Å; I393-L397 PolarHBondContact O-N 3.15Å; A394-L397 PolarHBondContact O-N 3.49Å; T395-L397 VanDerWaalsContact C-N 3.34Å; T395-L397 PolarHBondContact O-N 3.22Å; L397-I399 VanDerWaalsContact C-N 3.3Å; L397-I399 PolarHBondContact O-N 2.95Å; L397-F401 WeakPolarHBondContact O-CB 3.25Å; L397-F401 PolarHBondContact O-N 2.59Å; L397-F401 VanDerWaalsContact O-N 3.08Å |
| 398 | C | 72.2 | Confident | 70.9 | Confident | 78 Ų | 78 | 98.5 Ų | 98.5 | 53% | 0.527 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -27.2 | 178.5 | -76.5 | 0 | 0 | 0 | 0 | 113.6 | A394 T395 P402 | A394-C398 VanDerWaalsContact O-CB 3.31Å; A394-C398 WeakPolarHBondContact O-CB 3.24Å; A394-C398 PolarHBondContact O-N 3.1Å; A394-C398 PolarHBondContact O-SG 3.18Å; T395-C398 PolarHBondContact O-N 3.04Å; C398-P402 WeakPolarHBondContact O-CD 3.35Å; C398-P402 WeakPolarHBondContact O-CG 3.37Å |
| 399 | I | 76.7 | Confident | 70.3 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 56% | 0.564 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -92 | -46.5 | 178.2 | -65.6 | 166.8 | 0 | 0 | 0 | 111.2 | T395 V396 L397 F401 P402 L403 | T395-I399 WeakPolarHBondContact O-CB 3.44Å; T395-I399 VanDerWaalsContact O-CG1 3.32Å; T395-I399 WeakPolarHBondContact O-CG1 3.16Å; T395-I399 PolarHBondContact O-N 3.08Å; V396-I399 PolarHBondContact O-N 2.82Å; L397-I399 VanDerWaalsContact C-N 3.3Å; L397-I399 PolarHBondContact O-N 2.95Å; I399-F401 VanDerWaalsContact C-N 3.32Å; I399-F401 PolarHBondContact O-N 3.07Å; I399-P402 WeakPolarHBondContact O-CD 2.9Å; I399-L403 HydrophobicContact CG2-CD1 3.8Å; I399-L403 WeakPolarHBondContact O-CB 3.24Å; I399-L403 PolarHBondContact O-N 3.03Å |
| 400 | A | 71.6 | Confident | 69.4 | Low | 51 Ų | 51 | 101.7 Ų | 101.7 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -34.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V396 L403 F404 | V396-A400 WeakPolarHBondContact O-CB 2.78Å; V396-A400 PolarHBondContact O-N 2.92Å; A400-L403 PolarHBondContact O-N 3.02Å; A400-F404 VanDerWaalsContact O-CB 3.25Å; A400-F404 WeakPolarHBondContact O-CB 3.41Å; A400-F404 PolarHBondContact O-N 3.02Å |
| 401 | F | 72.8 | Confident | 68.5 | Low | 90 Ų | 90 | 102.6 Ų | 102.6 | 40% | 0.395 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.7 | -46.8 | -175.8 | -165.9 | -96.7 | 0 | 0 | 0 | 113.5 | I8 I11 L397 I399 F404 I405 | I8-F401 HydrophobicContact CG1-CE1 4.26Å; I11-F401 HydrophobicContact CD1-CE2 4.46Å; I11-F401 HydrophobicContact CD1-CZ 4.31Å; L397-F401 WeakPolarHBondContact O-CB 3.25Å; L397-F401 PolarHBondContact O-N 2.59Å; L397-F401 VanDerWaalsContact O-N 3.08Å; I399-F401 VanDerWaalsContact C-N 3.32Å; I399-F401 PolarHBondContact O-N 3.07Å; F401-F404 PolarHBondContact O-N 3.05Å; F401-I405 HydrophobicContact CD1-CD1 3.87Å; F401-I405 HydrophobicContact CE1-CD1 3.53Å; F401-I405 HydrophobicContact CE1-CG1 4.39Å; F401-I405 HydrophobicContact CZ-CD1 4.25Å; F401-I405 WeakPolarHBondContact O-CG1 3.5Å; F401-I405 PolarHBondContact O-N 3.1Å |
| 402 | P | 67.2 | Low | 67.6 | Low | 72 Ų | 72 | 104.5 Ų | 104.5 | 47% | 0.468 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 170.6 | -23.7 | 33.8 | 0 | 0 | 0 | 112.9 | C398 I399 F404 I405 Y406 | C398-P402 WeakPolarHBondContact O-CD 3.35Å; C398-P402 WeakPolarHBondContact O-CG 3.37Å; I399-P402 WeakPolarHBondContact O-CD 2.9Å; P402-F404 VanDerWaalsContact C-N 3.31Å; P402-F404 PolarHBondContact O-N 3.04Å; P402-I405 PolarHBondContact O-N 3.12Å; P402-Y406 WeakPolarHBondContact O-CB 3.06Å; P402-Y406 PolarHBondContact O-N 2.9Å |
| 403 | L | 69.3 | Low | 66.4 | Low | 107 Ų | 107 | 106.6 Ų | 106.6 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.9 | -41.2 | 176.1 | -87.7 | 163 | 0 | 0 | 0 | 111.6 | I399 A400 Y406 R407 | I399-L403 HydrophobicContact CG2-CD1 3.8Å; I399-L403 WeakPolarHBondContact O-CB 3.24Å; I399-L403 PolarHBondContact O-N 3.03Å; A400-L403 PolarHBondContact O-N 3.02Å; L403-Y406 PolarHBondContact O-N 3.13Å; L403-R407 WeakPolarHBondContact O-CB 3.34Å; L403-R407 PolarHBondContact O-N 3.41Å |
| 404 | F | 69.8 | Low | 65.1 | Low | 122 Ų | 122 | 106.8 Ų | 106.8 | 54% | 0.535 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 175.3 | -174.9 | -99 | 0 | 0 | 0 | 111.7 | A400 F401 P402 R407 R408 | A400-F404 VanDerWaalsContact O-CB 3.25Å; A400-F404 WeakPolarHBondContact O-CB 3.41Å; A400-F404 PolarHBondContact O-N 3.02Å; F401-F404 PolarHBondContact O-N 3.05Å; P402-F404 VanDerWaalsContact C-N 3.31Å; P402-F404 PolarHBondContact O-N 3.04Å; F404-R407 PolarHBondContact O-N 3.46Å; F404-R408 WeakPolarHBondContact O-CB 3.33Å; F404-R408 PolarHBondContact O-N 3.22Å |
| 405 | I | 69.6 | Low | 63.8 | Low | 67 Ų | 67 | 108 Ų | 108 | 34% | 0.344 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 174.7 | -69.9 | 178.6 | 0 | 0 | 0 | 111.1 | F401 P402 R408 R409 | F401-I405 HydrophobicContact CD1-CD1 3.87Å; F401-I405 HydrophobicContact CE1-CD1 3.53Å; F401-I405 HydrophobicContact CE1-CG1 4.39Å; F401-I405 HydrophobicContact CZ-CD1 4.25Å; F401-I405 WeakPolarHBondContact O-CG1 3.5Å; F401-I405 PolarHBondContact O-N 3.1Å; P402-I405 PolarHBondContact O-N 3.12Å; I405-R408 PolarHBondContact O-N 3.11Å; I405-R409 PolarHBondContact O-N 3.07Å |
| 406 | Y | 66.6 | Low | 62.1 | Low | 166 Ų | 166 | 115 Ų | 115 | 65% | 0.651 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63 | -48.2 | 178.4 | -177.7 | -98.6 | 0 | 0 | 0 | 111.2 | P402 L403 R408 R409 S410 | P402-Y406 WeakPolarHBondContact O-CB 3.06Å; P402-Y406 PolarHBondContact O-N 2.9Å; L403-Y406 PolarHBondContact O-N 3.13Å; Y406-R408 VanDerWaalsContact C-N 3.29Å; Y406-R408 PolarHBondContact O-N 2.74Å; Y406-R409 CarbonylContact O-C 3.56Å; Y406-R409 WeakPolarHBondContact O-CB 3.42Å; Y406-R409 PolarHBondContact O-N 2.74Å; Y406-S410 PolarHBondContact O-N 3.08Å |
| 407 | R | 63.4 | Low | 60.5 | Low | 186 Ų | 186 | 117 Ų | 117 | 70% | 0.702 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.5 | -39.5 | 177.3 | -160 | 177.3 | -172.1 | -177 | 2.6 | 111.6 | L403 F404 R409 S410 L411 | L403-R407 WeakPolarHBondContact O-CB 3.34Å; L403-R407 PolarHBondContact O-N 3.41Å; F404-R407 PolarHBondContact O-N 3.46Å; R407-R409 VanDerWaalsContact C-N 3.34Å; R407-R409 PolarHBondContact O-N 3.01Å; R407-S410 PolarHBondContact O-N 3.14Å; R407-L411 WeakPolarHBondContact O-CB 3.43Å; R407-L411 WeakPolarHBondContact O-CG 3.27Å; R407-L411 PolarHBondContact O-N 3.12Å |
| 408 | R | 62.2 | Low | 59 | Low | 159 Ų | 159 | 121.1 Ų | 121.1 | 60% | 0.6 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.8 | -29.2 | 176.5 | -146.6 | 176.9 | -172.8 | -174 | 3.8 | 112.8 | F404 I405 Y406 K412 | F404-R408 WeakPolarHBondContact O-CB 3.33Å; F404-R408 PolarHBondContact O-N 3.22Å; I405-R408 PolarHBondContact O-N 3.11Å; Y406-R408 VanDerWaalsContact C-N 3.29Å; Y406-R408 PolarHBondContact O-N 2.74Å; R408-K412 PolarHBondContact O-N 3.25Å |
| 409 | R | 58.3 | Low | 57.2 | Low | 173 Ų | 173 | 129.9 Ų | 129.9 | 65% | 0.653 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.6 | -44.2 | 171 | -82.2 | -173.1 | 174.8 | -179.1 | -0.1 | 112.1 | I405 Y406 R407 L411 K412 M413 | I405-R409 PolarHBondContact O-N 3.07Å; Y406-R409 CarbonylContact O-C 3.56Å; Y406-R409 WeakPolarHBondContact O-CB 3.42Å; Y406-R409 PolarHBondContact O-N 2.74Å; R407-R409 VanDerWaalsContact C-N 3.34Å; R407-R409 PolarHBondContact O-N 3.01Å; R409-L411 PolarHBondContact O-N 2.79Å; R409-K412 WeakPolarHBondContact O-CB 3.27Å; R409-K412 PolarHBondContact O-N 2.86Å; R409-K412 VanDerWaalsContact O-N 3.1Å; R409-M413 PolarHBondContact O-N 3.1Å |
| 410 | S | 50.7 | Low | 56.2 | Low | 47 Ų | 47 | 130.9 Ų | 130.9 | 33% | 0.329 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -58.6 | -45 | 175.8 | 162.7 | 0 | 0 | 0 | 0 | 111.5 | Y406 R407 K412 M413 N414 | Y406-S410 PolarHBondContact O-N 3.08Å; R407-S410 PolarHBondContact O-N 3.14Å; S410-K412 VanDerWaalsContact C-N 3.29Å; S410-K412 PolarHBondContact O-N 3.07Å; S410-M413 PolarHBondContact O-N 3.09Å; S410-N414 PolarHBondContact O-N 3.03Å |
| 411 | L | 53.1 | Low | 55.4 | Low | 113 Ų | 113 | 135.1 Ų | 135.1 | 59% | 0.592 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.2 | -36.7 | 174.6 | -77.9 | 163.7 | 0 | 0 | 0 | 112.5 | R407 R409 S415 | R407-L411 WeakPolarHBondContact O-CB 3.43Å; R407-L411 WeakPolarHBondContact O-CG 3.27Å; R407-L411 PolarHBondContact O-N 3.12Å; R409-L411 PolarHBondContact O-N 2.79Å; L411-S415 PolarHBondContact O-N 3.2Å; L411-S415 VanDerWaalsContact O-N 3.17Å |
| 412 | K | 51.3 | Low | 54.5 | Low | 145 Ų | 145 | 137.6 Ų | 137.6 | 63% | 0.63 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.3 | -40.8 | 174.2 | -86.1 | -169.1 | 172.5 | -162.9 | 0 | 112.7 | R408 R409 S410 S415 W416 | R408-K412 PolarHBondContact O-N 3.25Å; R409-K412 WeakPolarHBondContact O-CB 3.27Å; R409-K412 PolarHBondContact O-N 2.86Å; R409-K412 VanDerWaalsContact O-N 3.1Å; S410-K412 VanDerWaalsContact C-N 3.29Å; S410-K412 PolarHBondContact O-N 3.07Å; K412-S415 PolarHBondContact O-N 3.45Å; K412-S415 PolarHBondContact O-OG 3.24Å; K412-W416 VanDerWaalsContact O-CD1 3.32Å; K412-W416 PolarHBondContact O-N 3.1Å |
| 413 | M | 50.2 | Low | 53.7 | Low | 143 Ų | 143 | 141.5 Ų | 141.5 | 70% | 0.704 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.7 | -40.2 | 177.2 | -82.6 | -173.5 | 140.1 | 0 | 0 | 112.1 | R409 S410 S415 W416 N417 | R409-M413 PolarHBondContact O-N 3.1Å; S410-M413 PolarHBondContact O-N 3.09Å; M413-S415 VanDerWaalsContact C-N 3.28Å; M413-S415 PolarHBondContact O-N 2.88Å; M413-W416 PolarHBondContact O-N 3.36Å; M413-N417 PolarHBondContact O-N 3.08Å |
| 414 | N | 48.6 | Very low | 52.8 | Low | 102 Ų | 102 | 143.6 Ų | 143.6 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67 | -29.6 | 175.8 | -73.6 | 3.2 | 0 | 0 | 0 | 112.5 | S410 W416 | S410-N414 PolarHBondContact O-N 3.03Å; N414-W416 VanDerWaalsContact C-N 3.26Å; N414-W416 PolarHBondContact O-N 3.32Å |
| 415 | S | 43.5 | Very low | 51.6 | Low | 72 Ų | 72 | 145.1 Ų | 145.1 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -71.7 | -18.2 | 172.5 | 73 | 0 | 0 | 0 | 0 | 114 | L411 K412 M413 | L411-S415 PolarHBondContact O-N 3.2Å; L411-S415 VanDerWaalsContact O-N 3.17Å; K412-S415 PolarHBondContact O-N 3.45Å; K412-S415 PolarHBondContact O-OG 3.24Å; M413-S415 VanDerWaalsContact C-N 3.28Å; M413-S415 PolarHBondContact O-N 2.88Å |
| 416 | W | 41.5 | Very low | 50.3 | Low | 211 Ų | 211 | 150.6 Ų | 150.6 | 80% | 0.799 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -88.7 | -12.8 | 178.2 | -85.5 | 53.2 | 0 | 0 | 0 | 113.4 | K412 M413 N414 F418 | K412-W416 VanDerWaalsContact O-CD1 3.32Å; K412-W416 PolarHBondContact O-N 3.1Å; M413-W416 PolarHBondContact O-N 3.36Å; N414-W416 VanDerWaalsContact C-N 3.26Å; N414-W416 PolarHBondContact O-N 3.32Å; W416-F418 VanDerWaalsContact C-N 3.31Å |
| 417 | N | 40.7 | Very low | 49.1 | Very low | 136 Ų | 136 | 149.5 Ų | 149.5 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 10.7 | 173.2 | -76.2 | -3.8 | 0 | 0 | 0 | 113.7 | M413 | M413-N417 PolarHBondContact O-N 3.08Š|
| 418 | F | 39.2 | Very low | 47.9 | Very low | 194 Ų | 194 | 146.4 Ų | 146.4 | 85% | 0.851 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 19.8 | 175.8 | -95.5 | -75.8 | 0 | 0 | 0 | 113.7 | W416 | W416-F418 VanDerWaalsContact C-N 3.31Š|
| 419 | K | 35.3 | Very low | 46.6 | Very low | 262 Ų | 262 | 145.3 Ų | 145.3 | 100% | 1.139 | 68% | 0.679 | S | S | * | * | trans | -114.4 | 0 | 160.4 | -94.5 | -174.2 | 173.1 | -175.4 | 0 | 108.2 |
Retrieved 419 of 419 residues in 167.8 ms
(Link to these results)