| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.6 | Very low | 51.7 | Low | 211 Ų | 211 | 97 Ų | 97 | 100% | 1.039 | 53% | 0.527 | S | S | * | . | 0 | -54.1 | 0 | -77.2 | -167.9 | -152.8 | 0 | 0 | 113.6 | I3 V4 S5 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.49Å; M1-V4 PolarHBondContact O-N 3.05Å; M1-V4 VanDerWaalsContact O-N 3.13Å; M1-S5 PolarHBondContact O-N 3.32Å | |||
| 2 | K | 38.3 | Very low | 52.8 | Low | 175 Ų | 175 | 95.7 Ų | 95.7 | 76% | 0.761 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -53.5 | -39.7 | -177 | -78.7 | -176.7 | 174.6 | -178.9 | 0 | 115.5 | S5 N6 | K2-S5 WeakPolarHBondContact CA-OG 3.49Å; K2-S5 PolarHBondContact O-N 3.45Å; K2-S5 PolarHBondContact O-OG 2.93Å; K2-N6 WeakPolarHBondContact O-CB 3.36Å; K2-N6 PolarHBondContact O-N 3.49Å; K2-N6 PolarHBondContact O-ND2 3.23Å; K2-N6 PolarHBondContact O-OD1 3.49Å |
| 3 | I | 44.5 | Very low | 53.9 | Low | 130 Ų | 130 | 99.7 Ų | 99.7 | 67% | 0.667 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.1 | -44.2 | 178.5 | -62.9 | 172.5 | 0 | 0 | 0 | 111 | M1 S5 N6 I7 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.49Å; I3-S5 VanDerWaalsContact C-N 3.34Å; I3-S5 PolarHBondContact O-N 3.23Å; I3-N6 PolarHBondContact O-N 2.75Å; I3-I7 HydrophobicContact CG2-CD1 3.94Å; I3-I7 WeakPolarHBondContact O-CG1 3.32Å; I3-I7 PolarHBondContact O-N 2.91Å |
| 4 | V | 45.2 | Very low | 55.1 | Low | 105 Ų | 105 | 94.7 Ų | 94.7 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.6 | -37.7 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 111 | M1 I7 A8 | M1-V4 PolarHBondContact O-N 3.05Å; M1-V4 VanDerWaalsContact O-N 3.13Å; V4-I7 PolarHBondContact O-N 2.95Å; V4-A8 VanDerWaalsContact O-CB 3.29Å; V4-A8 WeakPolarHBondContact O-CB 3.16Å; V4-A8 PolarHBondContact O-N 3.42Å |
| 5 | S | 53.9 | Low | 56 | Low | 33 Ų | 33 | 91.9 Ų | 91.9 | 23% | 0.231 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 173.5 | 74.5 | 0 | 0 | 0 | 0 | 111.2 | M1 K2 I3 I7 A8 L9 | M1-S5 PolarHBondContact O-N 3.32Å; K2-S5 WeakPolarHBondContact CA-OG 3.49Å; K2-S5 PolarHBondContact O-N 3.45Å; K2-S5 PolarHBondContact O-OG 2.93Å; I3-S5 VanDerWaalsContact C-N 3.34Å; I3-S5 PolarHBondContact O-N 3.23Å; S5-I7 PolarHBondContact O-N 3.5Å; S5-A8 PolarHBondContact O-N 3.47Å; S5-L9 WeakPolarHBondContact O-CB 3.39Å; S5-L9 WeakPolarHBondContact O-CD1 3.4Å; S5-L9 WeakPolarHBondContact O-CG 2.66Å; S5-L9 PolarHBondContact O-N 2.94Å |
| 6 | N | 54.5 | Low | 56.9 | Low | 106 Ų | 106 | 88.4 Ų | 88.4 | 57% | 0.567 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.7 | -37.9 | 177.5 | -71.8 | -4.9 | 0 | 0 | 0 | 112.2 | K2 I3 L9 S10 | K2-N6 WeakPolarHBondContact O-CB 3.36Å; K2-N6 PolarHBondContact O-N 3.49Å; K2-N6 PolarHBondContact O-ND2 3.23Å; K2-N6 PolarHBondContact O-OD1 3.49Å; I3-N6 PolarHBondContact O-N 2.75Å; N6-L9 PolarHBondContact O-N 2.87Å; N6-S10 PolarHBondContact O-N 3.13Å |
| 7 | I | 51.6 | Low | 57.9 | Low | 109 Ų | 109 | 87.8 Ų | 87.8 | 56% | 0.559 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.8 | -47.1 | 174.8 | -66 | 167 | 0 | 0 | 0 | 110.4 | I3 V4 S5 L9 S10 | I3-I7 HydrophobicContact CG2-CD1 3.94Å; I3-I7 WeakPolarHBondContact O-CG1 3.32Å; I3-I7 PolarHBondContact O-N 2.91Å; V4-I7 PolarHBondContact O-N 2.95Å; S5-I7 PolarHBondContact O-N 3.5Å; I7-L9 PolarHBondContact O-N 2.83Å; I7-S10 WeakPolarHBondContact O-CB 3.09Å; I7-S10 PolarHBondContact O-N 3.36Å; I7-S10 PolarHBondContact O-OG 3.4Å |
| 8 | A | 54.7 | Low | 58.6 | Low | 31 Ų | 31 | 84.5 Ų | 84.5 | 26% | 0.256 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.6 | -34.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V4 S5 S10 V11 S14 L18 | V4-A8 VanDerWaalsContact O-CB 3.29Å; V4-A8 WeakPolarHBondContact O-CB 3.16Å; V4-A8 PolarHBondContact O-N 3.42Å; S5-A8 PolarHBondContact O-N 3.47Å; A8-S10 VanDerWaalsContact C-N 3.27Å; A8-S10 PolarHBondContact O-N 2.99Å; A8-V11 PolarHBondContact O-N 3.39Å; A8-S14 VanDerWaalsContact O-CB 3.22Å; A8-S14 WeakPolarHBondContact O-CB 3.29Å; A8-S14 PolarHBondContact O-OG 3.32Å; A8-L18 HydrophobicContact CB-CD1 4.33Å |
| 9 | L | 58.6 | Low | 59.1 | Low | 20 Ų | 20 | 80.1 Ų | 80.1 | 11% | 0.105 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -72.4 | -18.5 | 174.7 | -77.5 | 167.8 | 0 | 0 | 0 | 112.6 | S5 N6 I7 V11 K15 L18 W34 E37 | S5-L9 WeakPolarHBondContact O-CB 3.39Å; S5-L9 WeakPolarHBondContact O-CD1 3.4Å; S5-L9 WeakPolarHBondContact O-CG 2.66Å; S5-L9 PolarHBondContact O-N 2.94Å; N6-L9 PolarHBondContact O-N 2.87Å; I7-L9 PolarHBondContact O-N 2.83Å; L9-V11 PolarHBondContact O-N 2.64Å; L9-K15 HydrophobicContact CD2-CD 4.44Å; L9-K15 HydrophobicContact CD2-CG 3.97Å; L9-K15 WeakPolarHBondContact O-CE 3.43Å; L9-L18 HydrophobicContact CD2-CD1 4.25Å; L9-L18 HydrophobicContact CG-CD1 4.46Å; L9-W34 HydrophobicContact CD1-CH2 4.26Å; L9-W34 HydrophobicContact CD1-CZ3 3.93Å; L9-W34 HydrophobicContact CD2-CE3 4.32Å; L9-W34 HydrophobicContact CD2-CH2 4.34Å; L9-W34 HydrophobicContact CD2-CZ3 3.53Å; L9-W34 HydrophobicContact CG-CH2 4.3Å; L9-W34 HydrophobicContact CG-CZ3 3.93Å; L9-E37 HydrophobicContact CD1-CG 3.95Å; L9-E37 HydrophobicContact CD2-CG 4.45Å |
| 10 | S | 60.1 | Low | 59.7 | Low | 88 Ų | 88 | 81 Ų | 81 | 62% | 0.615 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -72.9 | -19.5 | 176 | 73.5 | 0 | 0 | 0 | 0 | 113 | N6 I7 A8 | N6-S10 PolarHBondContact O-N 3.13Å; I7-S10 WeakPolarHBondContact O-CB 3.09Å; I7-S10 PolarHBondContact O-N 3.36Å; I7-S10 PolarHBondContact O-OG 3.4Å; A8-S10 VanDerWaalsContact C-N 3.27Å; A8-S10 PolarHBondContact O-N 2.99Å |
| 11 | V | 63.1 | Low | 60.2 | Low | 59 Ų | 59 | 82 Ų | 82 | 36% | 0.358 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -101 | 123.7 | -178.6 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | A8 L9 E13 S14 K15 | A8-V11 PolarHBondContact O-N 3.39Å; L9-V11 PolarHBondContact O-N 2.64Å; V11-E13 VanDerWaalsContact C-N 3.28Å; V11-E13 HydrophobicContact CG1-CB 4.27Å; V11-E13 PolarHBondContact O-N 2.98Å; V11-S14 VanDerWaalsContact CB-OG 3.3Å; V11-S14 WeakPolarHBondContact CB-OG 3.14Å; V11-S14 PolarHBondContact O-N 3Å; V11-S14 PolarHBondContact O-OG 3.4Å; V11-K15 PolarHBondContact O-N 3.34Å; V11-K15 VanDerWaalsContact O-N 3.17Å |
| 12 | P | 64.7 | Low | 61.3 | Low | 81 Ų | 81 | 72 Ų | 72 | 53% | 0.526 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.6 | -37.3 | -177.1 | -27.4 | 34.8 | 0 | 0 | 0 | 114.3 | K15 E16 | P12-K15 WeakPolarHBondContact O-CB 3.18Å; P12-K15 PolarHBondContact O-N 3.12Å; P12-E16 PolarHBondContact O-N 3.3Å; P12-E16 VanDerWaalsContact O-N 3.15Å |
| 13 | E | 67.4 | Low | 62.6 | Low | 148 Ų | 148 | 65.3 Ų | 65.3 | 69% | 0.692 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65 | -40.8 | -177.9 | -65.7 | 158.6 | 163.3 | 0 | 0 | 111.5 | V11 E16 V17 | V11-E13 VanDerWaalsContact C-N 3.28Å; V11-E13 HydrophobicContact CG1-CB 4.27Å; V11-E13 PolarHBondContact O-N 2.98Å; E13-E16 WeakPolarHBondContact O-CB 3.22Å; E13-E16 PolarHBondContact O-N 3.45Å; E13-V17 WeakPolarHBondContact O-CG2 3.33Å; E13-V17 PolarHBondContact O-N 2.9Å; E13-V17 VanDerWaalsContact O-N 3.12Å |
| 14 | S | 69.6 | Low | 63.8 | Low | 30 Ų | 30 | 63.3 Ų | 63.3 | 21% | 0.21 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.7 | -30.4 | 174.8 | 31.3 | 0 | 0 | 0 | 0 | 112.5 | A8 V11 E16 V17 L18 | A8-S14 VanDerWaalsContact O-CB 3.22Å; A8-S14 WeakPolarHBondContact O-CB 3.29Å; A8-S14 PolarHBondContact O-OG 3.32Å; V11-S14 VanDerWaalsContact CB-OG 3.3Å; V11-S14 WeakPolarHBondContact CB-OG 3.14Å; V11-S14 PolarHBondContact O-N 3Å; V11-S14 PolarHBondContact O-OG 3.4Å; S14-E16 VanDerWaalsContact C-N 3.28Å; S14-E16 PolarHBondContact O-N 2.73Å; S14-V17 PolarHBondContact O-N 2.5Å; S14-L18 VanDerWaalsContact O-CB 3.3Å; S14-L18 WeakPolarHBondContact O-CB 3.45Å; S14-L18 WeakPolarHBondContact O-CD1 3.45Å; S14-L18 WeakPolarHBondContact O-CG 3.37Å; S14-L18 PolarHBondContact O-N 3.22Å |
| 15 | K | 69.7 | Low | 65 | Low | 53 Ų | 53 | 60.8 Ų | 60.8 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 169.7 | -68 | -161.4 | 179.9 | -161.2 | 0 | 111.5 | L9 V11 P12 L18 A19 E37 L49 | L9-K15 HydrophobicContact CD2-CD 4.44Å; L9-K15 HydrophobicContact CD2-CG 3.97Å; L9-K15 WeakPolarHBondContact O-CE 3.43Å; V11-K15 PolarHBondContact O-N 3.34Å; V11-K15 VanDerWaalsContact O-N 3.17Å; P12-K15 WeakPolarHBondContact O-CB 3.18Å; P12-K15 PolarHBondContact O-N 3.12Å; K15-L18 PolarHBondContact O-N 3.32Å; K15-A19 VanDerWaalsContact O-CB 3.29Å; K15-A19 WeakPolarHBondContact O-CB 3.41Å; K15-A19 PolarHBondContact O-N 3.45Å; K15-E37 IonicContact NZ-OE2 2.75Å; K15-L49 HydrophobicContact CB-CD1 3.88Å; K15-L49 HydrophobicContact CB-CD2 3.78Å; K15-L49 HydrophobicContact CD-CD2 3.79Å; K15-L49 HydrophobicContact CG-CD2 4.44Å |
| 16 | E | 69.5 | Low | 65.7 | Low | 35 Ų | 35 | 61.3 Ų | 61.3 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 177.9 | -166.8 | -170.9 | 138.4 | 0 | 0 | 111.8 | P12 E13 S14 L18 A19 R20 E48 L52 | P12-E16 PolarHBondContact O-N 3.3Å; P12-E16 VanDerWaalsContact O-N 3.15Å; E13-E16 WeakPolarHBondContact O-CB 3.22Å; E13-E16 PolarHBondContact O-N 3.45Å; S14-E16 VanDerWaalsContact C-N 3.28Å; S14-E16 PolarHBondContact O-N 2.73Å; E16-L18 VanDerWaalsContact C-N 3.35Å; E16-L18 PolarHBondContact O-N 3.12Å; E16-A19 PolarHBondContact O-N 3.06Å; E16-R20 WeakPolarHBondContact O-CG 3.29Å; E16-R20 PolarHBondContact O-N 2.96Å; E16-R20 IonicContact OE1-CZ 2.7Å; E16-R20 IonicContact OE1-NE 3.16Å; E16-R20 IonicContact OE1-NH1 3.02Å; E16-R20 IonicContact OE1-NH2 2.63Å; E16-R20 PolarHBondContact OE1-NH2 3.4Å; E16-E48 HydrophobicContact CG-CG 4.29Å; E16-E48 VanDerWaalsContact OE1-CD 3.31Å; E16-L52 HydrophobicContact CG-CD1 3.79Å |
| 17 | V | 74.4 | Confident | 66.3 | Low | 78 Ų | 78 | 61.8 Ų | 61.8 | 47% | 0.473 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | E13 S14 R20 Q21 | E13-V17 WeakPolarHBondContact O-CG2 3.33Å; E13-V17 PolarHBondContact O-N 2.9Å; E13-V17 VanDerWaalsContact O-N 3.12Å; S14-V17 PolarHBondContact O-N 2.5Å; V17-R20 PolarHBondContact O-N 2.87Å; V17-Q21 WeakPolarHBondContact O-CG 3.24Å; V17-Q21 PolarHBondContact O-N 3.22Å |
| 18 | L | 69.7 | Low | 67 | Low | 29 Ų | 29 | 61.1 Ų | 61.1 | 15% | 0.152 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 177.8 | -72.2 | 162.6 | 0 | 0 | 0 | 111.6 | A8 L9 S14 K15 E16 R20 Q21 A22 W34 | A8-L18 HydrophobicContact CB-CD1 4.33Å; L9-L18 HydrophobicContact CD2-CD1 4.25Å; L9-L18 HydrophobicContact CG-CD1 4.46Å; S14-L18 VanDerWaalsContact O-CB 3.3Å; S14-L18 WeakPolarHBondContact O-CB 3.45Å; S14-L18 WeakPolarHBondContact O-CD1 3.45Å; S14-L18 WeakPolarHBondContact O-CG 3.37Å; S14-L18 PolarHBondContact O-N 3.22Å; K15-L18 PolarHBondContact O-N 3.32Å; E16-L18 VanDerWaalsContact C-N 3.35Å; E16-L18 PolarHBondContact O-N 3.12Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 3.17Å; L18-Q21 PolarHBondContact O-N 3.01Å; L18-A22 VanDerWaalsContact O-CB 3.28Å; L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 3.47Å; L18-W34 HydrophobicContact CB-CH2 4.33Å; L18-W34 HydrophobicContact CB-CZ3 4.11Å; L18-W34 HydrophobicContact CD1-CH2 3.61Å; L18-W34 HydrophobicContact CD1-CZ3 3.79Å; L18-W34 HydrophobicContact CD2-CH2 3.75Å; L18-W34 HydrophobicContact CD2-CZ2 4.25Å; L18-W34 HydrophobicContact CD2-CZ3 4.38Å; L18-W34 HydrophobicContact CG-CH2 4.1Å; L18-W34 HydrophobicContact CG-CZ3 4.31Å |
| 19 | A | 69.2 | Low | 67.5 | Low | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K15 E16 Y23 F38 L49 L52 | K15-A19 VanDerWaalsContact O-CB 3.29Å; K15-A19 WeakPolarHBondContact O-CB 3.41Å; K15-A19 PolarHBondContact O-N 3.45Å; E16-A19 PolarHBondContact O-N 3.06Å; A19-Y23 WeakPolarHBondContact O-CB 3.3Å; A19-Y23 PolarHBondContact O-N 3.26Å; A19-F38 HydrophobicContact CB-CE1 3.99Å; A19-L49 HydrophobicContact CB-CD1 4.03Å; A19-L52 HydrophobicContact CB-CB 3.91Å; A19-L52 HydrophobicContact CB-CD1 4.33Å |
| 20 | R | 70.4 | Confident | 67.9 | Low | 98 Ų | 98 | 62.2 Ų | 62.2 | 37% | 0.37 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 173.6 | -70.3 | -178.7 | -179.3 | 169.2 | 5.3 | 112.5 | E16 V17 L18 Y23 A24 E48 L52 | E16-R20 WeakPolarHBondContact O-CG 3.29Å; E16-R20 PolarHBondContact O-N 2.96Å; E16-R20 IonicContact OE1-CZ 2.7Å; E16-R20 IonicContact OE1-NE 3.16Å; E16-R20 IonicContact OE1-NH1 3.02Å; E16-R20 IonicContact OE1-NH2 2.63Å; E16-R20 PolarHBondContact OE1-NH2 3.4Å; V17-R20 PolarHBondContact O-N 2.87Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 3.17Å; R20-Y23 WeakPolarHBondContact O-CB 3.17Å; R20-Y23 PolarHBondContact O-N 3.32Å; R20-A24 PolarHBondContact O-N 2.92Å; R20-E48 IonicContact CZ-OE1 2.62Å; R20-E48 IonicContact NH2-OE1 3.95Å; R20-E48 PolarHBondContact NH2-OE1 3.5Å; R20-L52 HydrophobicContact CG-CD1 3.88Å; R20-L52 HydrophobicContact CG-CD2 4.15Å |
| 21 | Q | 70.6 | Confident | 68.2 | Low | 103 Ų | 103 | 65 Ų | 65 | 48% | 0.481 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.5 | -45 | 176.5 | -74.2 | 178.3 | -15.6 | 0 | 0 | 112.5 | V17 L18 Y23 A24 S25 | V17-Q21 WeakPolarHBondContact O-CG 3.24Å; V17-Q21 PolarHBondContact O-N 3.22Å; L18-Q21 PolarHBondContact O-N 3.01Å; Q21-Y23 VanDerWaalsContact C-N 3.29Å; Q21-Y23 PolarHBondContact O-N 3.49Å; Q21-A24 WeakPolarHBondContact O-CB 3.41Å; Q21-A24 PolarHBondContact O-N 3.2Å; Q21-S25 PolarHBondContact O-N 3.38Å |
| 22 | A | 68.7 | Low | 68.5 | Low | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L18 A24 S25 L26 A29 F38 | L18-A22 VanDerWaalsContact O-CB 3.28Å; L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 3.47Å; A22-A24 VanDerWaalsContact C-N 3.32Å; A22-A24 PolarHBondContact O-N 3.49Å; A22-S25 CarbonylContact O-C 3.58Å; A22-S25 PolarHBondContact O-N 3.12Å; A22-L26 PolarHBondContact O-N 2.73Å; A22-A29 HydrophobicContact CB-CB 4Å; A22-F38 HydrophobicContact CB-CE1 4.4Å; A22-F38 HydrophobicContact CB-CE2 3.91Å; A22-F38 HydrophobicContact CB-CZ 3.37Å |
| 23 | Y | 65.5 | Low | 68.8 | Low | 35 Ų | 35 | 63.5 Ų | 63.5 | 14% | 0.137 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 173.1 | -179.8 | -95.9 | 0 | 0 | 0 | 112.7 | A19 R20 Q21 S25 N55 V56 N59 F70 Q71 E72 | A19-Y23 WeakPolarHBondContact O-CB 3.3Å; A19-Y23 PolarHBondContact O-N 3.26Å; R20-Y23 WeakPolarHBondContact O-CB 3.17Å; R20-Y23 PolarHBondContact O-N 3.32Å; Q21-Y23 VanDerWaalsContact C-N 3.29Å; Q21-Y23 PolarHBondContact O-N 3.49Å; Y23-S25 PolarHBondContact O-N 3.27Å; Y23-N55 HydrophobicContact CD2-CB 4.23Å; Y23-N55 HydrophobicContact CE2-CB 3.9Å; Y23-V56 HydrophobicContact CD2-CG2 4.03Å; Y23-V56 HydrophobicContact CG-CG2 4.45Å; Y23-N59 WeakPolarHBondContact CE2-ND2 3.46Å; Y23-F70 VanDerWaalsContact CE2-O 3.32Å; Y23-F70 WeakPolarHBondContact CE2-O 3.4Å; Y23-F70 PolarHBondContact OH-O 2.67Å; Y23-Q71 WeakPolarHBondContact OH-CA 3.3Å; Y23-Q71 PolarHBondContact OH-N 3.22Å; Y23-Q71 PolarHBondContact OH-O 3.15Å; Y23-E72 VanDerWaalsContact CE1-CA 3.46Å; Y23-E72 HydrophobicContact CE1-CB 3.77Å; Y23-E72 HydrophobicContact CE1-CG 4.21Å; Y23-E72 VanDerWaalsContact OH-CA 3.3Å; Y23-E72 WeakPolarHBondContact OH-CA 3.29Å; Y23-E72 PolarHBondContact OH-N 3.17Å |
| 24 | A | 68.4 | Low | 69.2 | Low | 87 Ų | 87 | 57.6 Ų | 57.6 | 72% | 0.719 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68.8 | -18.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R20 Q21 A22 | R20-A24 PolarHBondContact O-N 2.92Å; Q21-A24 WeakPolarHBondContact O-CB 3.41Å; Q21-A24 PolarHBondContact O-N 3.2Å; A22-A24 VanDerWaalsContact C-N 3.32Å; A22-A24 PolarHBondContact O-N 3.49Å |
| 25 | S | 71.8 | Confident | 69.7 | Low | 52 Ų | 52 | 59.3 Ų | 59.3 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | trans | -145.7 | 90.9 | -179.6 | -176.6 | 0 | 0 | 0 | 0 | 112.7 | Q21 A22 Y23 N27 F28 A29 | Q21-S25 PolarHBondContact O-N 3.38Å; A22-S25 CarbonylContact O-C 3.58Å; A22-S25 PolarHBondContact O-N 3.12Å; Y23-S25 PolarHBondContact O-N 3.27Å; S25-N27 PolarHBondContact O-N 3.26Å; S25-F28 VanDerWaalsContact O-CB 3.31Å; S25-F28 WeakPolarHBondContact O-CB 3.49Å; S25-F28 PolarHBondContact O-N 3.3Å; S25-F28 WeakPolarHBondContact OG-CB 3.37Å; S25-F28 PolarHBondContact OG-N 2.88Å; S25-A29 PolarHBondContact O-N 3.46Å | ||
| 26 | L | 68.7 | Low | 70.3 | Confident | 45 Ų | 45 | 62.7 Ų | 62.7 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.4 | -36.8 | 177.4 | -167.9 | 70.2 | 0 | 0 | 0 | 112.5 | A22 F28 A29 L30 N59 L60 A62 | A22-L26 PolarHBondContact O-N 2.73Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 2.85Å; L26-A29 WeakPolarHBondContact O-CB 3.22Å; L26-A29 PolarHBondContact O-N 3.36Å; L26-L30 PolarHBondContact O-N 3.43Å; L26-N59 HydrophobicContact CD1-CB 4.24Å; L26-N59 VanDerWaalsContact CD2-O 3.26Å; L26-N59 WeakPolarHBondContact CD2-O 3.26Å; L26-L60 HydrophobicContact CD1-CD2 3.76Å; L26-L60 HydrophobicContact CD1-CG 4.29Å; L26-L60 HydrophobicContact CG-CD2 4.29Å; L26-A62 HydrophobicContact CD2-CB 4.46Å |
| 27 | N | 65.5 | Low | 70.9 | Confident | 115 Ų | 115 | 63 Ų | 63 | 62% | 0.615 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.3 | -35.9 | 176.4 | -74.4 | -20 | 0 | 0 | 0 | 112 | S25 N31 | S25-N27 PolarHBondContact O-N 3.26Å; N27-N31 VanDerWaalsContact O-CB 3.29Å; N27-N31 WeakPolarHBondContact O-CB 3.5Å; N27-N31 VanDerWaalsContact O-CG 3.24Å; N27-N31 PolarHBondContact O-N 2.84Å; N27-N31 PolarHBondContact O-ND2 3.46Å |
| 28 | F | 67.5 | Low | 71.3 | Confident | 96 Ų | 96 | 59.6 Ų | 59.6 | 42% | 0.421 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 174.4 | -179.5 | -96.7 | 0 | 0 | 0 | 111.3 | S25 L26 L30 A32 | S25-F28 VanDerWaalsContact O-CB 3.31Å; S25-F28 WeakPolarHBondContact O-CB 3.49Å; S25-F28 PolarHBondContact O-N 3.3Å; S25-F28 WeakPolarHBondContact OG-CB 3.37Å; S25-F28 PolarHBondContact OG-N 2.88Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 2.85Å; F28-L30 PolarHBondContact O-N 3.45Å; F28-A32 WeakPolarHBondContact O-CB 3.4Å; F28-A32 PolarHBondContact O-N 3.19Å; F28-A32 VanDerWaalsContact O-N 3.12Å |
| 29 | A | 64.8 | Low | 72 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A22 S25 L26 W34 F38 V56 | A22-A29 HydrophobicContact CB-CB 4Å; S25-A29 PolarHBondContact O-N 3.46Å; L26-A29 WeakPolarHBondContact O-CB 3.22Å; L26-A29 PolarHBondContact O-N 3.36Å; A29-W34 PolarHBondContact O-N 3.25Å; A29-F38 HydrophobicContact CB-CE2 4Å; A29-V56 HydrophobicContact CB-CG1 4.27Å |
| 30 | L | 66.9 | Low | 72.8 | Confident | 72 Ų | 72 | 67.2 Ų | 67.2 | 38% | 0.377 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.9 | -51.4 | 179.4 | -77.3 | 173.1 | 0 | 0 | 0 | 112.2 | L26 F28 A32 G33 L35 L60 | L26-L30 PolarHBondContact O-N 3.43Å; F28-L30 PolarHBondContact O-N 3.45Å; L30-A32 VanDerWaalsContact C-N 3.29Å; L30-A32 PolarHBondContact O-N 3.46Å; L30-G33 PolarHBondContact O-N 3.28Å; L30-L35 HydrophobicContact CD2-CD1 4.22Å; L30-L35 HydrophobicContact CD2-CD2 4.32Å; L30-L60 HydrophobicContact CD1-CD2 4.15Å; L30-L60 HydrophobicContact CD2-CD2 3.56Å; L30-L60 HydrophobicContact CG-CD2 3.84Å |
| 31 | N | 65.9 | Low | 73.5 | Confident | 146 Ų | 146 | 62.9 Ų | 62.9 | 78% | 0.781 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -68.2 | -27.6 | -174 | -72.5 | -21.4 | 0 | 0 | 0 | 113.5 | N27 | N27-N31 VanDerWaalsContact O-CB 3.29Å; N27-N31 WeakPolarHBondContact O-CB 3.5Å; N27-N31 VanDerWaalsContact O-CG 3.24Å; N27-N31 PolarHBondContact O-N 2.84Å; N27-N31 PolarHBondContact O-ND2 3.46Å |
| 32 | A | 70.5 | Confident | 74 | Confident | 56 Ų | 56 | 64 Ų | 64 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 9.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | F28 L30 W34 | F28-A32 WeakPolarHBondContact O-CB 3.4Å; F28-A32 PolarHBondContact O-N 3.19Å; F28-A32 VanDerWaalsContact O-N 3.12Å; L30-A32 VanDerWaalsContact C-N 3.29Å; L30-A32 PolarHBondContact O-N 3.46Å; A32-W34 PolarHBondContact O-N 3.19Å |
| 33 | G | 71 | Confident | 74.7 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 56% | 0.557 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 23.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L30 L35 | L30-G33 PolarHBondContact O-N 3.28Å; G33-L35 PolarHBondContact O-N 3.22Å |
| 34 | W | 74.5 | Confident | 75.6 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 9% | 0.087 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -3.1 | -173.3 | -66 | 84.5 | 0 | 0 | 0 | 114.6 | L9 L18 A29 A32 E36 E37 F38 | L9-W34 HydrophobicContact CD1-CH2 4.26Å; L9-W34 HydrophobicContact CD1-CZ3 3.93Å; L9-W34 HydrophobicContact CD2-CE3 4.32Å; L9-W34 HydrophobicContact CD2-CH2 4.34Å; L9-W34 HydrophobicContact CD2-CZ3 3.53Å; L9-W34 HydrophobicContact CG-CH2 4.3Å; L9-W34 HydrophobicContact CG-CZ3 3.93Å; L18-W34 HydrophobicContact CB-CH2 4.33Å; L18-W34 HydrophobicContact CB-CZ3 4.11Å; L18-W34 HydrophobicContact CD1-CH2 3.61Å; L18-W34 HydrophobicContact CD1-CZ3 3.79Å; L18-W34 HydrophobicContact CD2-CH2 3.75Å; L18-W34 HydrophobicContact CD2-CZ2 4.25Å; L18-W34 HydrophobicContact CD2-CZ3 4.38Å; L18-W34 HydrophobicContact CG-CH2 4.1Å; L18-W34 HydrophobicContact CG-CZ3 4.31Å; A29-W34 PolarHBondContact O-N 3.25Å; A32-W34 PolarHBondContact O-N 3.19Å; W34-E36 VanDerWaalsContact C-N 3.3Å; W34-E36 PolarHBondContact O-N 2.97Å; W34-E37 PolarHBondContact O-N 3.38Å; W34-E37 VanDerWaalsContact O-N 3.12Å; W34-F38 HydrophobicContact CB-CD2 3.78Å; W34-F38 HydrophobicContact CB-CE2 3.36Å; W34-F38 HydrophobicContact CB-CZ 4.13Å; W34-F38 HydrophobicContact CG-CE2 4.26Å; W34-F38 WeakPolarHBondContact O-CD2 3.28Å; W34-F38 PolarHBondContact O-N 3.18Å |
| 35 | L | 80.1 | Confident | 76.3 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 35% | 0.346 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.6 | -42.2 | -176.9 | -68.7 | 175.2 | 0 | 0 | 0 | 112.6 | L30 G33 F38 N39 L57 L60 | L30-L35 HydrophobicContact CD2-CD1 4.22Å; L30-L35 HydrophobicContact CD2-CD2 4.32Å; G33-L35 PolarHBondContact O-N 3.22Å; L35-F38 PolarHBondContact O-N 3.44Å; L35-N39 WeakPolarHBondContact O-CB 3.42Å; L35-N39 PolarHBondContact O-N 3.41Å; L35-N39 PolarHBondContact O-ND2 2.95Å; L35-N39 VanDerWaalsContact O-ND2 3.12Å; L35-L57 HydrophobicContact CD2-CD2 4.16Å; L35-L60 HydrophobicContact CD2-CD1 3.49Å; L35-L60 VanDerWaalsContact CD2-CD1 3.49Å; L35-L60 HydrophobicContact CD2-CD2 4.2Å; L35-L60 HydrophobicContact CD2-CG 4.48Å |
| 36 | E | 82 | Confident | 77 | Confident | 125 Ų | 125 | 71.2 Ų | 71.2 | 58% | 0.584 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 178.6 | -162.2 | -168.8 | 141.7 | 0 | 0 | 111.5 | W34 N39 K40 | W34-E36 VanDerWaalsContact C-N 3.3Å; W34-E36 PolarHBondContact O-N 2.97Å; E36-N39 PolarHBondContact O-N 3.05Å; E36-K40 WeakPolarHBondContact O-CG 3.06Å; E36-K40 PolarHBondContact O-N 3.49Å; E36-K40 WeakPolarHBondContact OE1-CE 3.47Å; E36-K40 IonicContact OE1-NZ 2.66Å; E36-K40 PolarHBondContact OE1-NZ 3.34Å |
| 37 | E | 82.1 | Confident | 77.9 | Confident | 42 Ų | 42 | 70 Ų | 70 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69.4 | -36 | 178.4 | -71.7 | -57.5 | 126.6 | 0 | 0 | 112.6 | L9 K15 W34 K40 S41 | L9-E37 HydrophobicContact CD1-CG 3.95Å; L9-E37 HydrophobicContact CD2-CG 4.45Å; K15-E37 IonicContact NZ-OE2 2.75Å; W34-E37 PolarHBondContact O-N 3.38Å; W34-E37 VanDerWaalsContact O-N 3.12Å; E37-K40 PolarHBondContact O-N 3.05Å; E37-K40 IonicContact OE1-NZ 3.74Å; E37-K40 PolarHBondContact OE1-NZ 2.8Å; E37-S41 VanDerWaalsContact O-CB 3.24Å; E37-S41 WeakPolarHBondContact O-CB 3.46Å; E37-S41 PolarHBondContact O-N 2.91Å; E37-S41 PolarHBondContact O-OG 2.95Å |
| 38 | F | 83.1 | Confident | 78.9 | Confident | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 172.7 | -70.5 | -51.7 | 0 | 0 | 0 | 112.1 | A19 A22 A29 W34 L35 K40 S41 R42 A53 V56 L57 | A19-F38 HydrophobicContact CB-CE1 3.99Å; A22-F38 HydrophobicContact CB-CE1 4.4Å; A22-F38 HydrophobicContact CB-CE2 3.91Å; A22-F38 HydrophobicContact CB-CZ 3.37Å; A29-F38 HydrophobicContact CB-CE2 4Å; W34-F38 HydrophobicContact CB-CD2 3.78Å; W34-F38 HydrophobicContact CB-CE2 3.36Å; W34-F38 HydrophobicContact CB-CZ 4.13Å; W34-F38 HydrophobicContact CG-CE2 4.26Å; W34-F38 WeakPolarHBondContact O-CD2 3.28Å; W34-F38 PolarHBondContact O-N 3.18Å; L35-F38 PolarHBondContact O-N 3.44Å; F38-K40 PolarHBondContact O-N 3.47Å; F38-S41 CarbonylContact O-C 3.52Å; F38-S41 PolarHBondContact O-N 3.18Å; F38-R42 PolarHBondContact O-N 2.91Å; F38-A53 HydrophobicContact CB-CB 4.36Å; F38-A53 HydrophobicContact CD1-CB 3.91Å; F38-V56 HydrophobicContact CD2-CG1 3.78Å; F38-V56 HydrophobicContact CE1-CG2 4.47Å; F38-V56 HydrophobicContact CE2-CG1 3.71Å; F38-V56 HydrophobicContact CG-CG1 4.25Å; F38-V56 HydrophobicContact CZ-CG1 4.14Å; F38-L57 HydrophobicContact CB-CD1 4.19Å; F38-L57 HydrophobicContact CB-CD2 3.92Å; F38-L57 HydrophobicContact CB-CG 3.96Å |
| 39 | N | 84.1 | Confident | 79.8 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 174 | -80.2 | -40.5 | 0 | 0 | 0 | 111.9 | L35 E36 S41 R42 L57 | L35-N39 WeakPolarHBondContact O-CB 3.42Å; L35-N39 PolarHBondContact O-N 3.41Å; L35-N39 PolarHBondContact O-ND2 2.95Å; L35-N39 VanDerWaalsContact O-ND2 3.12Å; E36-N39 PolarHBondContact O-N 3.05Å; N39-S41 VanDerWaalsContact C-N 3.33Å; N39-S41 PolarHBondContact O-N 3.44Å; N39-R42 WeakPolarHBondContact O-CB 3.31Å; N39-R42 PolarHBondContact O-N 3.32Å; N39-L57 WeakPolarHBondContact OD1-CD1 3.37Å |
| 40 | K | 86.3 | Confident | 80.9 | Confident | 98 Ų | 98 | 63.5 Ų | 63.5 | 43% | 0.426 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 172.5 | -69.9 | 171.6 | -170.1 | 160.8 | 0 | 111.9 | E36 E37 F38 R42 T43 | E36-K40 WeakPolarHBondContact O-CG 3.06Å; E36-K40 PolarHBondContact O-N 3.49Å; E36-K40 WeakPolarHBondContact OE1-CE 3.47Å; E36-K40 IonicContact OE1-NZ 2.66Å; E36-K40 PolarHBondContact OE1-NZ 3.34Å; E37-K40 PolarHBondContact O-N 3.05Å; E37-K40 IonicContact OE1-NZ 3.74Å; E37-K40 PolarHBondContact OE1-NZ 2.8Å; F38-K40 PolarHBondContact O-N 3.47Å; K40-R42 VanDerWaalsContact C-N 3.26Å; K40-R42 PolarHBondContact O-N 3Å; K40-T43 PolarHBondContact O-N 3.23Å; K40-T43 PolarHBondContact O-OG1 3.18Å |
| 41 | S | 85.6 | Confident | 81.9 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 5% | 0.049 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.6 | -24.6 | -179.5 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | E37 F38 N39 T43 S44 Q50 | E37-S41 VanDerWaalsContact O-CB 3.24Å; E37-S41 WeakPolarHBondContact O-CB 3.46Å; E37-S41 PolarHBondContact O-N 2.91Å; E37-S41 PolarHBondContact O-OG 2.95Å; F38-S41 CarbonylContact O-C 3.52Å; F38-S41 PolarHBondContact O-N 3.18Å; N39-S41 VanDerWaalsContact C-N 3.33Å; N39-S41 PolarHBondContact O-N 3.44Å; S41-T43 PolarHBondContact O-N 3.4Å; S41-S44 WeakPolarHBondContact O-CB 3.26Å; S41-S44 PolarHBondContact O-N 3.38Å; S41-Q50 WeakPolarHBondContact O-CA 3.44Å |
| 42 | R | 81.9 | Confident | 83 | Confident | 127 Ų | 127 | 53.5 Ų | 53.5 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -21.6 | 173.5 | -156.5 | 178.7 | 80.6 | 145.7 | 0.7 | 113 | F38 N39 K40 Q50 | F38-R42 PolarHBondContact O-N 2.91Å; N39-R42 WeakPolarHBondContact O-CB 3.31Å; N39-R42 PolarHBondContact O-N 3.32Å; K40-R42 VanDerWaalsContact C-N 3.26Å; K40-R42 PolarHBondContact O-N 3Å; R42-Q50 WeakPolarHBondContact O-CG 3.38Å; R42-Q50 PolarHBondContact O-NE2 3.4Å |
| 43 | T | 82.7 | Confident | 83.8 | Confident | 115 Ų | 115 | 50.9 Ų | 50.9 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 13.7 | 174 | 58 | 0 | 0 | 0 | 0 | 112.7 | K40 S41 | K40-T43 PolarHBondContact O-N 3.23Å; K40-T43 PolarHBondContact O-OG1 3.18Å; S41-T43 PolarHBondContact O-N 3.4Å |
| 44 | S | 83.5 | Confident | 84.6 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | trans | -63.7 | 143.5 | 177.3 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | S41 N46 | S41-S44 WeakPolarHBondContact O-CB 3.26Å; S41-S44 PolarHBondContact O-N 3.38Å; S44-N46 PolarHBondContact O-N 2.88Å; S44-N46 PolarHBondContact OG-N 3.33Å | ||
| 45 | S | 83.8 | Confident | 85.3 | Confident | 124 Ų | 124 | 48.1 Ų | 48.1 | 87% | 0.867 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -70.1 | -20.4 | 167.7 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | F47 | S45-F47 PolarHBondContact O-N 3.43Š|
| 46 | N | 86.5 | Confident | 85.7 | Confident | 54 Ų | 54 | 45 Ų | 45 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | trans | -77.7 | 106.4 | 169.9 | -178 | -28.3 | 0 | 0 | 0 | 109.2 | S44 E48 L49 Q50 | S44-N46 PolarHBondContact O-N 2.88Å; S44-N46 PolarHBondContact OG-N 3.33Å; N46-E48 VanDerWaalsContact C-N 3.31Å; N46-E48 PolarHBondContact O-N 3.45Å; N46-E48 PolarHBondContact OD1-N 3.32Å; N46-L49 HydrophobicContact CB-CB 4.08Å; N46-L49 PolarHBondContact O-N 3.08Å; N46-L49 PolarHBondContact OD1-N 3.02Å; N46-Q50 PolarHBondContact O-N 3.35Å | ||
| 47 | F | 87 | Confident | 86 | Confident | 20 Ų | 20 | 40 Ų | 40 | 9% | 0.088 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -33.9 | -177.3 | -175.4 | -127.3 | 0 | 0 | 0 | 113.5 | S45 Q50 L51 L77 F102 C130 K133 | S45-F47 PolarHBondContact O-N 3.43Å; F47-Q50 PolarHBondContact O-N 2.88Å; F47-L51 HydrophobicContact CD2-CG 4.33Å; F47-L51 HydrophobicContact CE1-CD1 3.92Å; F47-L51 HydrophobicContact CE1-CG 4.32Å; F47-L51 HydrophobicContact CE2-CD1 4.23Å; F47-L51 HydrophobicContact CE2-CD2 3.71Å; F47-L51 HydrophobicContact CE2-CG 3.84Å; F47-L51 HydrophobicContact CZ-CD1 3.68Å; F47-L51 HydrophobicContact CZ-CD2 3.87Å; F47-L51 HydrophobicContact CZ-CG 3.83Å; F47-L51 WeakPolarHBondContact O-CG 3.38Å; F47-L51 PolarHBondContact O-N 3.12Å; F47-L77 HydrophobicContact CZ-CD2 4.09Å; F47-F102 AromaticContact CD1-CD1 3.55Å; F47-F102 HydrophobicContact CD1-CD1 3.55Å; F47-F102 HydrophobicContact CD1-CE1 4.21Å; F47-F102 AromaticContact CE1-CD1 3.85Å; F47-F102 HydrophobicContact CE1-CD1 3.85Å; F47-F102 HydrophobicContact CE1-CE1 4.31Å; F47-F102 HydrophobicContact CG-CD1 4.39Å; F47-C130 HydrophobicContact CD1-CB 4.03Å; F47-C130 HydrophobicContact CE1-CB 3.34Å; F47-C130 HydrophobicContact CE2-CB 3.94Å; F47-C130 HydrophobicContact CZ-CB 3.27Å; F47-K133 HydrophobicContact CE2-CD 3.89Å |
| 48 | E | 86.1 | Confident | 86.4 | Confident | 32 Ų | 32 | 38.1 Ų | 38.1 | 15% | 0.15 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.2 | -46.8 | 176.6 | -179.5 | 157.9 | -165.7 | 0 | 0 | 111.8 | E16 R20 N46 Q50 L51 L52 R100 F102 | E16-E48 HydrophobicContact CG-CG 4.29Å; E16-E48 VanDerWaalsContact OE1-CD 3.31Å; R20-E48 IonicContact CZ-OE1 2.62Å; R20-E48 IonicContact NH2-OE1 3.95Å; R20-E48 PolarHBondContact NH2-OE1 3.5Å; N46-E48 VanDerWaalsContact C-N 3.31Å; N46-E48 PolarHBondContact O-N 3.45Å; N46-E48 PolarHBondContact OD1-N 3.32Å; E48-Q50 VanDerWaalsContact C-N 3.3Å; E48-Q50 PolarHBondContact O-N 2.89Å; E48-L51 PolarHBondContact O-N 2.93Å; E48-L52 HydrophobicContact CG-CD1 4.07Å; E48-L52 WeakPolarHBondContact O-CG 3.3Å; E48-L52 PolarHBondContact O-N 3.28Å; E48-R100 IonicContact OE1-NH2 3.89Å; E48-F102 HydrophobicContact CB-CD1 3.94Å; E48-F102 HydrophobicContact CB-CE1 3.73Å; E48-F102 HydrophobicContact CB-CE2 4.36Å; E48-F102 HydrophobicContact CB-CG 4.37Å; E48-F102 HydrophobicContact CB-CZ 3.95Å; E48-F102 HydrophobicContact CG-CD2 4.47Å; E48-F102 HydrophobicContact CG-CE1 4.03Å; E48-F102 HydrophobicContact CG-CE2 3.94Å; E48-F102 HydrophobicContact CG-CZ 3.7Å |
| 49 | L | 86.7 | Confident | 86.7 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -40 | 174.2 | -179.6 | 60.9 | 0 | 0 | 0 | 111.7 | K15 A19 N46 A53 | K15-L49 HydrophobicContact CB-CD1 3.88Å; K15-L49 HydrophobicContact CB-CD2 3.78Å; K15-L49 HydrophobicContact CD-CD2 3.79Å; K15-L49 HydrophobicContact CG-CD2 4.44Å; A19-L49 HydrophobicContact CB-CD1 4.03Å; N46-L49 HydrophobicContact CB-CB 4.08Å; N46-L49 PolarHBondContact O-N 3.08Å; N46-L49 PolarHBondContact OD1-N 3.02Å; L49-A53 VanDerWaalsContact O-CB 3.26Å; L49-A53 WeakPolarHBondContact O-CB 3.14Å; L49-A53 PolarHBondContact O-N 3.41Å |
| 50 | Q | 89 | Confident | 86.9 | Confident | 37 Ų | 37 | 35.4 Ų | 35.4 | 17% | 0.173 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59 | -49.6 | 175.8 | 172.4 | 179.3 | 70.9 | 0 | 0 | 111.8 | S41 R42 N46 F47 E48 A53 N54 | S41-Q50 WeakPolarHBondContact O-CA 3.44Å; R42-Q50 WeakPolarHBondContact O-CG 3.38Å; R42-Q50 PolarHBondContact O-NE2 3.4Å; N46-Q50 PolarHBondContact O-N 3.35Å; F47-Q50 PolarHBondContact O-N 2.88Å; E48-Q50 VanDerWaalsContact C-N 3.3Å; E48-Q50 PolarHBondContact O-N 2.89Å; Q50-A53 PolarHBondContact O-N 3.02Å; Q50-N54 WeakPolarHBondContact O-CB 3.5Å; Q50-N54 PolarHBondContact O-N 3.14Å |
| 51 | L | 87.9 | Confident | 86.8 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66 | -42 | -178.8 | -69.2 | -166.4 | 0 | 0 | 0 | 112.3 | F47 E48 N54 N55 Y75 L77 V101 F102 | F47-L51 HydrophobicContact CD2-CG 4.33Å; F47-L51 HydrophobicContact CE1-CD1 3.92Å; F47-L51 HydrophobicContact CE1-CG 4.32Å; F47-L51 HydrophobicContact CE2-CD1 4.23Å; F47-L51 HydrophobicContact CE2-CD2 3.71Å; F47-L51 HydrophobicContact CE2-CG 3.84Å; F47-L51 HydrophobicContact CZ-CD1 3.68Å; F47-L51 HydrophobicContact CZ-CD2 3.87Å; F47-L51 HydrophobicContact CZ-CG 3.83Å; F47-L51 WeakPolarHBondContact O-CG 3.38Å; F47-L51 PolarHBondContact O-N 3.12Å; E48-L51 PolarHBondContact O-N 2.93Å; L51-N54 PolarHBondContact O-N 2.93Å; L51-N55 WeakPolarHBondContact O-CB 3.43Å; L51-N55 PolarHBondContact O-N 3.24Å; L51-Y75 HydrophobicContact CB-CD1 3.85Å; L51-Y75 HydrophobicContact CB-CE1 4.49Å; L51-Y75 HydrophobicContact CB-CG 4.45Å; L51-Y75 HydrophobicContact CD1-CD1 4.26Å; L51-Y75 HydrophobicContact CD1-CG 4.08Å; L51-L77 HydrophobicContact CD1-CD2 3.39Å; L51-L77 HydrophobicContact CD2-CD2 3.64Å; L51-L77 HydrophobicContact CG-CD2 4.19Å; L51-V101 HydrophobicContact CD1-CG1 4.09Å; L51-F102 HydrophobicContact CB-CE1 4.19Å; L51-F102 HydrophobicContact CD1-CD1 4.26Å; L51-F102 HydrophobicContact CD1-CE1 3.41Å; L51-F102 VanDerWaalsContact CD1-CE1 3.41Å; L51-F102 HydrophobicContact CD1-CZ 4.01Å; L51-F102 HydrophobicContact CG-CE1 3.99Å |
| 52 | L | 87.4 | Confident | 86.7 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | 176.6 | -72.1 | 167.8 | 0 | 0 | 0 | 111 | E16 A19 R20 E48 N54 N55 V56 Y75 | E16-L52 HydrophobicContact CG-CD1 3.79Å; A19-L52 HydrophobicContact CB-CB 3.91Å; A19-L52 HydrophobicContact CB-CD1 4.33Å; R20-L52 HydrophobicContact CG-CD1 3.88Å; R20-L52 HydrophobicContact CG-CD2 4.15Å; E48-L52 HydrophobicContact CG-CD1 4.07Å; E48-L52 WeakPolarHBondContact O-CG 3.3Å; E48-L52 PolarHBondContact O-N 3.28Å; L52-N54 VanDerWaalsContact C-N 3.34Å; L52-N54 PolarHBondContact O-N 3.06Å; L52-N55 PolarHBondContact O-N 2.93Å; L52-V56 WeakPolarHBondContact O-CG2 3.33Å; L52-V56 PolarHBondContact O-N 3.35Å; L52-Y75 HydrophobicContact CD2-CE1 3.93Å; L52-Y75 HydrophobicContact CG-CE1 4.39Å |
| 53 | A | 87.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | F38 L49 Q50 V56 L57 | F38-A53 HydrophobicContact CB-CB 4.36Å; F38-A53 HydrophobicContact CD1-CB 3.91Å; L49-A53 VanDerWaalsContact O-CB 3.26Å; L49-A53 WeakPolarHBondContact O-CB 3.14Å; L49-A53 PolarHBondContact O-N 3.41Å; Q50-A53 PolarHBondContact O-N 3.02Å; A53-V56 PolarHBondContact O-N 3.16Å; A53-L57 WeakPolarHBondContact O-CG 3.33Å; A53-L57 PolarHBondContact O-N 3.33Å; A53-L57 VanDerWaalsContact O-N 3.08Å |
| 54 | N | 88.6 | Confident | 86.8 | Confident | 19 Ų | 19 | 34.5 Ų | 34.5 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -49.4 | 177.3 | -167.1 | 54.4 | 0 | 0 | 0 | 111.4 | Q50 L51 L52 V56 L57 E58 L76 | Q50-N54 WeakPolarHBondContact O-CB 3.5Å; Q50-N54 PolarHBondContact O-N 3.14Å; L51-N54 PolarHBondContact O-N 2.93Å; L52-N54 VanDerWaalsContact C-N 3.34Å; L52-N54 PolarHBondContact O-N 3.06Å; N54-V56 VanDerWaalsContact C-N 3.34Å; N54-V56 PolarHBondContact O-N 3.44Å; N54-L57 PolarHBondContact O-N 3.37Å; N54-E58 VanDerWaalsContact O-CG 3.3Å; N54-E58 WeakPolarHBondContact O-CG 3.27Å; N54-E58 PolarHBondContact O-N 2.98Å; N54-L76 PolarHBondContact ND2-O 3Å; N54-L76 VanDerWaalsContact ND2-O 3.13Å |
| 55 | N | 89.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 177.7 | -88.8 | 18.2 | 0 | 0 | 0 | 113.1 | Y23 L51 L52 L57 E58 N59 V74 L76 | Y23-N55 HydrophobicContact CD2-CB 4.23Å; Y23-N55 HydrophobicContact CE2-CB 3.9Å; L51-N55 WeakPolarHBondContact O-CB 3.43Å; L51-N55 PolarHBondContact O-N 3.24Å; L52-N55 PolarHBondContact O-N 2.93Å; N55-L57 VanDerWaalsContact C-N 3.34Å; N55-E58 PolarHBondContact O-N 3.43Å; N55-N59 VanDerWaalsContact O-CB 3.27Å; N55-N59 WeakPolarHBondContact O-CB 3.25Å; N55-N59 VanDerWaalsContact O-CG 3.27Å; N55-N59 PolarHBondContact O-N 3.47Å; N55-V74 PolarHBondContact ND2-O 2.83Å; N55-L76 PolarHBondContact OD1-N 2.81Å |
| 56 | V | 87.5 | Confident | 86.8 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | Y23 A29 F38 L52 A53 N54 N59 L60 | Y23-V56 HydrophobicContact CD2-CG2 4.03Å; Y23-V56 HydrophobicContact CG-CG2 4.45Å; A29-V56 HydrophobicContact CB-CG1 4.27Å; F38-V56 HydrophobicContact CD2-CG1 3.78Å; F38-V56 HydrophobicContact CE1-CG2 4.47Å; F38-V56 HydrophobicContact CE2-CG1 3.71Å; F38-V56 HydrophobicContact CG-CG1 4.25Å; F38-V56 HydrophobicContact CZ-CG1 4.14Å; L52-V56 WeakPolarHBondContact O-CG2 3.33Å; L52-V56 PolarHBondContact O-N 3.35Å; A53-V56 PolarHBondContact O-N 3.16Å; N54-V56 VanDerWaalsContact C-N 3.34Å; N54-V56 PolarHBondContact O-N 3.44Å; V56-N59 PolarHBondContact O-N 2.78Å; V56-L60 PolarHBondContact O-N 3.01Å |
| 57 | L | 87.6 | Confident | 86.9 | Confident | 18 Ų | 18 | 37.4 Ų | 37.4 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.4 | -40.8 | 178.8 | -67.9 | 171.4 | 0 | 0 | 0 | 112.4 | L35 F38 N39 A53 N54 N55 L60 | L35-L57 HydrophobicContact CD2-CD2 4.16Å; F38-L57 HydrophobicContact CB-CD1 4.19Å; F38-L57 HydrophobicContact CB-CD2 3.92Å; F38-L57 HydrophobicContact CB-CG 3.96Å; N39-L57 WeakPolarHBondContact OD1-CD1 3.37Å; A53-L57 WeakPolarHBondContact O-CG 3.33Å; A53-L57 PolarHBondContact O-N 3.33Å; A53-L57 VanDerWaalsContact O-N 3.08Å; N54-L57 PolarHBondContact O-N 3.37Å; N55-L57 VanDerWaalsContact C-N 3.34Å; L57-L60 HydrophobicContact CD2-CD1 3.98Å; L57-L60 VanDerWaalsContact O-CB 3.22Å; L57-L60 WeakPolarHBondContact O-CB 3.37Å; L57-L60 WeakPolarHBondContact O-CD1 3.46Å; L57-L60 WeakPolarHBondContact O-CG 3.26Å; L57-L60 PolarHBondContact O-N 3.04Å |
| 58 | E | 90.5 | Very high | 87.2 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66 | -39.6 | 176.2 | -68.6 | -68.9 | 140.5 | 0 | 0 | 111.5 | N54 N55 L60 A61 F70 L76 S80 I81 | N54-E58 VanDerWaalsContact O-CG 3.3Å; N54-E58 WeakPolarHBondContact O-CG 3.27Å; N54-E58 PolarHBondContact O-N 2.98Å; N55-E58 PolarHBondContact O-N 3.43Å; E58-L60 PolarHBondContact O-N 3.31Å; E58-L60 VanDerWaalsContact O-N 3.14Å; E58-A61 VanDerWaalsContact O-CB 3.25Å; E58-A61 WeakPolarHBondContact O-CB 3.42Å; E58-A61 PolarHBondContact O-N 2.66Å; E58-F70 HydrophobicContact CB-CD2 3.95Å; E58-F70 HydrophobicContact CB-CE2 3.75Å; E58-F70 HydrophobicContact CG-CE2 4.48Å; E58-L76 HydrophobicContact CG-CD2 3.72Å; E58-S80 WeakPolarHBondContact OE1-CB 3.22Å; E58-S80 PolarHBondContact OE1-OG 3.33Å; E58-S80 WeakPolarHBondContact OE2-CA 3.46Å; E58-S80 PolarHBondContact OE2-OG 3.27Å; E58-I81 PolarHBondContact OE2-N 2.76Å |
| 59 | N | 90.7 | Very high | 87.5 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -12.3 | 176 | -78.4 | -12.1 | 0 | 0 | 0 | 113.6 | Y23 L26 N55 V56 A61 A62 F70 | Y23-N59 WeakPolarHBondContact CE2-ND2 3.46Å; L26-N59 HydrophobicContact CD1-CB 4.24Å; L26-N59 VanDerWaalsContact CD2-O 3.26Å; L26-N59 WeakPolarHBondContact CD2-O 3.26Å; N55-N59 VanDerWaalsContact O-CB 3.27Å; N55-N59 WeakPolarHBondContact O-CB 3.25Å; N55-N59 VanDerWaalsContact O-CG 3.27Å; N55-N59 PolarHBondContact O-N 3.47Å; V56-N59 PolarHBondContact O-N 2.78Å; N59-A61 PolarHBondContact O-N 3.02Å; N59-A61 VanDerWaalsContact O-N 3.16Å; N59-A62 WeakPolarHBondContact O-CB 3.11Å; N59-A62 PolarHBondContact O-N 3.16Å; N59-F70 PolarHBondContact ND2-O 2.7Å; N59-F70 WeakPolarHBondContact OD1-CD2 3.43Å; N59-F70 PolarHBondContact OD1-N 2.91Å |
| 60 | L | 86.9 | Confident | 87.8 | Confident | 25 Ų | 25 | 38 Ų | 38 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -59.3 | -23.2 | 168.3 | -64.6 | 170 | 0 | 0 | 0 | 112.2 | L26 L30 L35 V56 L57 E58 A62 R63 W82 | L26-L60 HydrophobicContact CD1-CD2 3.76Å; L26-L60 HydrophobicContact CD1-CG 4.29Å; L26-L60 HydrophobicContact CG-CD2 4.29Å; L30-L60 HydrophobicContact CD1-CD2 4.15Å; L30-L60 HydrophobicContact CD2-CD2 3.56Å; L30-L60 HydrophobicContact CG-CD2 3.84Å; L35-L60 HydrophobicContact CD2-CD1 3.49Å; L35-L60 VanDerWaalsContact CD2-CD1 3.49Å; L35-L60 HydrophobicContact CD2-CD2 4.2Å; L35-L60 HydrophobicContact CD2-CG 4.48Å; V56-L60 PolarHBondContact O-N 3.01Å; L57-L60 HydrophobicContact CD2-CD1 3.98Å; L57-L60 VanDerWaalsContact O-CB 3.22Å; L57-L60 WeakPolarHBondContact O-CB 3.37Å; L57-L60 WeakPolarHBondContact O-CD1 3.46Å; L57-L60 WeakPolarHBondContact O-CG 3.26Å; L57-L60 PolarHBondContact O-N 3.04Å; E58-L60 PolarHBondContact O-N 3.31Å; E58-L60 VanDerWaalsContact O-N 3.14Å; L60-A62 PolarHBondContact O-N 2.97Å; L60-R63 WeakPolarHBondContact O-CD 3.41Å; L60-R63 WeakPolarHBondContact O-CG 3.46Å; L60-R63 PolarHBondContact O-NE 3.03Å; L60-W82 HydrophobicContact CB-CZ2 4.22Å |
| 61 | A | 85.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -67.4 | -18.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E58 N59 R63 F64 A67 I81 W82 | E58-A61 VanDerWaalsContact O-CB 3.25Å; E58-A61 WeakPolarHBondContact O-CB 3.42Å; E58-A61 PolarHBondContact O-N 2.66Å; N59-A61 PolarHBondContact O-N 3.02Å; N59-A61 VanDerWaalsContact O-N 3.16Å; A61-R63 PolarHBondContact O-N 3.37Å; A61-F64 WeakPolarHBondContact O-CB 3.11Å; A61-F64 WeakPolarHBondContact O-CD2 3.32Å; A61-F64 PolarHBondContact O-N 2.95Å; A61-A67 HydrophobicContact CB-CB 3.89Å; A61-A67 WeakPolarHBondContact O-CB 3.39Å; A61-I81 HydrophobicContact CB-CD1 4.22Å; A61-I81 HydrophobicContact CB-CG2 3.64Å; A61-W82 HydrophobicContact CB-CH2 3.78Å; A61-W82 HydrophobicContact CB-CZ2 3.51Å |
| 62 | A | 82.7 | Confident | 87.8 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -59.3 | -12.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L26 N59 L60 F64 V69 | L26-A62 HydrophobicContact CD2-CB 4.46Å; N59-A62 WeakPolarHBondContact O-CB 3.11Å; N59-A62 PolarHBondContact O-N 3.16Å; L60-A62 PolarHBondContact O-N 2.97Å; A62-F64 PolarHBondContact O-N 3.13Å; A62-V69 HydrophobicContact CB-CG2 3.9Å |
| 63 | R | 81.6 | Confident | 87.9 | Confident | 175 Ų | 175 | 45.7 Ų | 45.7 | 66% | 0.66 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -68.3 | -19.5 | 168.9 | 69.8 | -171.4 | 164.4 | 178.7 | -6.2 | 113.8 | L60 A61 | L60-R63 WeakPolarHBondContact O-CD 3.41Å; L60-R63 WeakPolarHBondContact O-CG 3.46Å; L60-R63 PolarHBondContact O-NE 3.03Å; A61-R63 PolarHBondContact O-N 3.37Å |
| 64 | F | 85 | Confident | 88.2 | Confident | 107 Ų | 107 | 45.7 Ų | 45.7 | 47% | 0.469 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -96.3 | 138.9 | 175.7 | -56.9 | -66.7 | 0 | 0 | 0 | 109.6 | A61 A62 A67 W82 | A61-F64 WeakPolarHBondContact O-CB 3.11Å; A61-F64 WeakPolarHBondContact O-CD2 3.32Å; A61-F64 PolarHBondContact O-N 2.95Å; A62-F64 PolarHBondContact O-N 3.13Å; F64-A67 HydrophobicContact CB-CB 4.41Å; F64-A67 WeakPolarHBondContact O-CB 3.48Å; F64-A67 PolarHBondContact O-N 3.29Å; F64-W82 HydrophobicContact CD2-CH2 4.34Å; F64-W82 AromaticContact CE2-CH2 3.79Å; F64-W82 HydrophobicContact CE2-CH2 3.79Å; F64-W82 AromaticContact CE2-CZ3 3.82Å; F64-W82 HydrophobicContact CE2-CZ3 3.82Å |
| 65 | P | 83.3 | Confident | 88.5 | Confident | 115 Ų | 115 | 45.4 Ų | 45.4 | 75% | 0.747 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | 143.7 | 172.2 | -24.9 | 34.3 | 0 | 0 | 0 | 111.6 | A67 | P65-A67 PolarHBondContact O-N 2.61Š|
| 66 | D | 83.9 | Confident | 88.7 | Confident | 141 Ų | 141 | 45.4 Ų | 45.4 | 75% | 0.754 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 4.4 | 175.8 | -52.8 | -48.3 | 0 | 0 | 0 | 117.3 | K189 | D66-K189 PolarHBondContact O-NZ 3.2Š|
| 67 | A | 90.1 | Very high | 89 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 13% | 0.132 | 24% | 0.238 | C | C | . | . | trans | -62.7 | 139.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A61 F64 P65 I81 | A61-A67 HydrophobicContact CB-CB 3.89Å; A61-A67 WeakPolarHBondContact O-CB 3.39Å; F64-A67 HydrophobicContact CB-CB 4.41Å; F64-A67 WeakPolarHBondContact O-CB 3.48Å; F64-A67 PolarHBondContact O-N 3.29Å; P65-A67 PolarHBondContact O-N 2.61Å; A67-I81 HydrophobicContact CB-CD1 4.11Å | ||
| 68 | P | 92.5 | Very high | 89.3 | Confident | 16 Ų | 16 | 48 Ų | 48 | 10% | 0.104 | 25% | 0.248 | C | C | . | . | trans | -64.6 | 139 | 177 | 29.4 | -32.5 | 0 | 0 | 0 | 110 | F70 I81 K184 A185 | P68-F70 HydrophobicContact CB-CE2 4.45Å; P68-F70 HydrophobicContact CB-CZ 4.42Å; P68-F70 HydrophobicContact CG-CE2 4.39Å; P68-I81 HydrophobicContact CG-CB 4.47Å; P68-I81 HydrophobicContact CG-CD1 4.11Å; P68-K184 CarbonylContact C-O 3.52Å; P68-K184 VanDerWaalsContact CA-O 3.3Å; P68-K184 WeakPolarHBondContact CA-O 3.46Å; P68-A185 VanDerWaalsContact CB-C 3.48Å; P68-A185 VanDerWaalsContact CB-O 3.28Å; P68-A185 WeakPolarHBondContact CB-O 3.36Å | ||
| 69 | V | 92.7 | Very high | 89.5 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 32% | 0.315 | 25% | 0.253 | S | S | . | . | trans | -116.8 | 115.9 | 173.8 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | A62 Q71 K184 A185 | A62-V69 HydrophobicContact CB-CG2 3.9Å; V69-Q71 HydrophobicContact CG1-CG 4.48Å; V69-Q71 PolarHBondContact O-N 2.75Å; V69-K184 PolarHBondContact N-O 3.08Å; V69-K184 CarbonylContact O-C 3.49Å; V69-K184 VanDerWaalsContact O-C 3.29Å; V69-A185 WeakPolarHBondContact O-CA 3.22Å; V69-A185 PolarHBondContact O-N 3.3Å | ||
| 70 | F | 92.5 | Very high | 89.6 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | trans | -81.5 | 105.4 | 174.1 | -57.8 | -81.6 | 0 | 0 | 0 | 107.8 | Y23 E58 N59 P68 V74 L76 L147 A185 | Y23-F70 VanDerWaalsContact CE2-O 3.32Å; Y23-F70 WeakPolarHBondContact CE2-O 3.4Å; Y23-F70 PolarHBondContact OH-O 2.67Å; E58-F70 HydrophobicContact CB-CD2 3.95Å; E58-F70 HydrophobicContact CB-CE2 3.75Å; E58-F70 HydrophobicContact CG-CE2 4.48Å; N59-F70 PolarHBondContact ND2-O 2.7Å; N59-F70 WeakPolarHBondContact OD1-CD2 3.43Å; N59-F70 PolarHBondContact OD1-N 2.91Å; P68-F70 HydrophobicContact CB-CE2 4.45Å; P68-F70 HydrophobicContact CB-CZ 4.42Å; P68-F70 HydrophobicContact CG-CE2 4.39Å; F70-V74 HydrophobicContact CD1-CG1 4.28Å; F70-L76 HydrophobicContact CD1-CB 4.18Å; F70-L76 HydrophobicContact CE1-CB 3.8Å; F70-L76 HydrophobicContact CE1-CD1 3.93Å; F70-L76 HydrophobicContact CE1-CD2 4.32Å; F70-L76 HydrophobicContact CE1-CG 4.23Å; F70-L76 HydrophobicContact CE2-CD2 4.12Å; F70-L76 HydrophobicContact CZ-CB 4Å; F70-L76 HydrophobicContact CZ-CD1 3.98Å; F70-L76 HydrophobicContact CZ-CD2 3.7Å; F70-L76 HydrophobicContact CZ-CG 4.12Å; F70-L147 HydrophobicContact CD1-CD2 4.37Å; F70-L147 HydrophobicContact CE1-CD2 3.91Å; F70-A185 HydrophobicContact CD1-CB 3.85Å; F70-A185 HydrophobicContact CE1-CB 4.03Å | ||
| 71 | Q | 91.2 | Very high | 89.7 | Confident | 60 Ų | 60 | 51 Ų | 51 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | trans | -86.8 | 160.1 | 176.7 | -63.1 | -161.6 | -70.3 | 0 | 0 | 112.6 | Y23 V69 G73 V74 K181 K184 | Y23-Q71 WeakPolarHBondContact OH-CA 3.3Å; Y23-Q71 PolarHBondContact OH-N 3.22Å; Y23-Q71 PolarHBondContact OH-O 3.15Å; V69-Q71 HydrophobicContact CG1-CG 4.48Å; V69-Q71 PolarHBondContact O-N 2.75Å; Q71-G73 PolarHBondContact O-N 2.88Å; Q71-V74 WeakPolarHBondContact O-CB 3.39Å; Q71-V74 PolarHBondContact O-N 2.95Å; Q71-K181 HydrophobicContact CB-CB 4.36Å; Q71-K181 HydrophobicContact CB-CD 4.35Å; Q71-K181 HydrophobicContact CB-CG 3.94Å; Q71-K181 VanDerWaalsContact OE1-CG 3.31Å; Q71-K184 HydrophobicContact CG-CD 4.24Å; Q71-K184 VanDerWaalsContact OE1-CD 3.25Å | ||
| 72 | E | 86.1 | Confident | 89.8 | Confident | 139 Ų | 139 | 56.7 Ų | 56.7 | 65% | 0.65 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 131.2 | -168.1 | -166.5 | 178.5 | 176 | 0 | 0 | 112.3 | Y23 K181 | Y23-E72 VanDerWaalsContact CE1-CA 3.46Å; Y23-E72 HydrophobicContact CE1-CB 3.77Å; Y23-E72 HydrophobicContact CE1-CG 4.21Å; Y23-E72 VanDerWaalsContact OH-CA 3.3Å; Y23-E72 WeakPolarHBondContact OH-CA 3.29Å; Y23-E72 PolarHBondContact OH-N 3.17Å; E72-K181 WeakPolarHBondContact O-CE 3.3Å; E72-K181 PolarHBondContact O-NZ 2.82Å |
| 73 | G | 89.7 | Confident | 90.2 | Very high | 9 Ų | 9 | 57.3 Ų | 57.3 | 9% | 0.093 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -12.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q71 V149 D150 | Q71-G73 PolarHBondContact O-N 2.88Å; G73-V149 CarbonylContact O-C 3.59Å; G73-V149 VanDerWaalsContact O-CA 3.27Å; G73-V149 WeakPolarHBondContact O-CA 3.04Å; G73-D150 PolarHBondContact O-N 2.6Å |
| 74 | V | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 110.5 | 175.3 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | N55 F70 Q71 L147 K181 L182 A185 | N55-V74 PolarHBondContact ND2-O 2.83Å; F70-V74 HydrophobicContact CD1-CG1 4.28Å; Q71-V74 WeakPolarHBondContact O-CB 3.39Å; Q71-V74 PolarHBondContact O-N 2.95Å; V74-L147 HydrophobicContact CG1-CD2 4.07Å; V74-K181 HydrophobicContact CG2-CB 3.84Å; V74-K181 HydrophobicContact CG2-CD 4.49Å; V74-L182 HydrophobicContact CG1-CD2 4.01Å; V74-L182 HydrophobicContact CG2-CD2 4.36Å; V74-A185 HydrophobicContact CG1-CB 4.04Å |
| 75 | Y | 94.2 | Very high | 90.7 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.7 | -178.9 | -56 | -83.8 | 0 | 0 | 0 | 112.2 | L51 L52 V101 F102 L147 A148 D150 | L51-Y75 HydrophobicContact CB-CD1 3.85Å; L51-Y75 HydrophobicContact CB-CE1 4.49Å; L51-Y75 HydrophobicContact CB-CG 4.45Å; L51-Y75 HydrophobicContact CD1-CD1 4.26Å; L51-Y75 HydrophobicContact CD1-CG 4.08Å; L52-Y75 HydrophobicContact CD2-CE1 3.93Å; L52-Y75 HydrophobicContact CG-CE1 4.39Å; Y75-V101 HydrophobicContact CD2-CB 4.44Å; Y75-V101 HydrophobicContact CD2-CG2 3.95Å; Y75-V101 HydrophobicContact CE2-CG2 4.29Å; Y75-F102 HydrophobicContact CE1-CZ 4.15Å; Y75-F102 HydrophobicContact CE2-CE2 4.4Å; Y75-F102 HydrophobicContact CE2-CZ 4.28Å; Y75-F102 AromaticContact CZ-CZ 3.95Å; Y75-L147 CarbonylContact O-C 2.97Å; Y75-L147 VanDerWaalsContact O-CA 3.25Å; Y75-L147 WeakPolarHBondContact O-CA 3.32Å; Y75-A148 PolarHBondContact N-O 2.84Å; Y75-A148 PolarHBondContact O-N 3.46Å; Y75-D150 HydrophobicContact CE2-CB 3.86Å; Y75-D150 VanDerWaalsContact CE2-OD2 3.26Å; Y75-D150 WeakPolarHBondContact CE2-OD2 3.46Å; Y75-D150 PolarHBondContact OH-OD2 3.21Å |
| 76 | L | 94.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 107.4 | 167.4 | -171.7 | 65.3 | 0 | 0 | 0 | 109.2 | N54 N55 E58 F70 G79 R145 L147 | N54-L76 PolarHBondContact ND2-O 3Å; N54-L76 VanDerWaalsContact ND2-O 3.13Å; N55-L76 PolarHBondContact OD1-N 2.81Å; E58-L76 HydrophobicContact CG-CD2 3.72Å; F70-L76 HydrophobicContact CD1-CB 4.18Å; F70-L76 HydrophobicContact CE1-CB 3.8Å; F70-L76 HydrophobicContact CE1-CD1 3.93Å; F70-L76 HydrophobicContact CE1-CD2 4.32Å; F70-L76 HydrophobicContact CE1-CG 4.23Å; F70-L76 HydrophobicContact CE2-CD2 4.12Å; F70-L76 HydrophobicContact CZ-CB 4Å; F70-L76 HydrophobicContact CZ-CD1 3.98Å; F70-L76 HydrophobicContact CZ-CD2 3.7Å; F70-L76 HydrophobicContact CZ-CG 4.12Å; L76-G79 WeakPolarHBondContact CD2-O 3.3Å; L76-R145 HydrophobicContact CD1-CG 3.57Å; L76-L147 HydrophobicContact CD1-CG 4.3Å |
| 77 | L | 94.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -40 | 179.1 | -60 | -172.2 | 0 | 0 | 0 | 112 | F47 L51 V101 V132 K133 L146 A148 | F47-L77 HydrophobicContact CZ-CD2 4.09Å; L51-L77 HydrophobicContact CD1-CD2 3.39Å; L51-L77 HydrophobicContact CD2-CD2 3.64Å; L51-L77 HydrophobicContact CG-CD2 4.19Å; L77-V101 HydrophobicContact CD2-CG1 4.2Å; L77-V132 HydrophobicContact CD1-CB 4.21Å; L77-V132 HydrophobicContact CD1-CG1 3.63Å; L77-K133 HydrophobicContact CB-CB 4.47Å; L77-K133 WeakPolarHBondContact O-CG 3.36Å; L77-L146 HydrophobicContact CB-CB 3.96Å; L77-L146 PolarHBondContact N-O 2.82Å; L77-A148 HydrophobicContact CD1-CB 3.69Å; L77-A148 HydrophobicContact CD2-CB 4.16Å; L77-A148 HydrophobicContact CG-CB 3.91Å |
| 78 | Q | 93.7 | Very high | 92 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 32% | 0.318 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 140.6 | -179.1 | 176.4 | 69.4 | 11.5 | 0 | 0 | 109.5 | P137 R145 L146 | Q78-P137 HydrophobicContact CB-CG 4.32Å; Q78-P137 HydrophobicContact CG-CB 4.29Å; Q78-P137 HydrophobicContact CG-CG 3.88Å; Q78-R145 WeakPolarHBondContact O-CA 3.46Å; Q78-L146 HydrophobicContact CB-CB 3.85Å; Q78-L146 HydrophobicContact CB-CD1 3.88Å; Q78-L146 HydrophobicContact CB-CG 3.78Å; Q78-L146 HydrophobicContact CG-CG 4.44Å; Q78-L146 PolarHBondContact N-O 3.4Å; Q78-L146 PolarHBondContact O-N 2.96Å |
| 79 | G | 93.5 | Very high | 92.2 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 12% | 0.124 | 26% | 0.257 | C | S | . | . | trans | 106.8 | 169.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L76 Y87 | L76-G79 WeakPolarHBondContact CD2-O 3.3Å; G79-Y87 WeakPolarHBondContact CA-OH 3.21Å | ||
| 80 | S | 92.6 | Very high | 92.5 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | trans | -158.6 | 150 | -179.4 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | E58 W82 D83 Y87 | E58-S80 WeakPolarHBondContact OE1-CB 3.22Å; E58-S80 PolarHBondContact OE1-OG 3.33Å; E58-S80 WeakPolarHBondContact OE2-CA 3.46Å; E58-S80 PolarHBondContact OE2-OG 3.27Å; S80-W82 VanDerWaalsContact OG-CD1 3.24Å; S80-W82 PolarHBondContact OG-N 3.34Å; S80-W82 VanDerWaalsContact OG-N 3.08Å; S80-D83 VanDerWaalsContact O-OD1 3.1Å; S80-Y87 PolarHBondContact N-OH 3.5Å; S80-Y87 PolarHBondContact O-OH 3.46Å | ||
| 81 | I | 88.9 | Confident | 92.8 | Very high | 72 Ų | 72 | 44.7 Ų | 44.7 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -71.6 | -23.4 | 166.3 | -175.7 | 161.3 | 0 | 0 | 0 | 111.9 | E58 A61 A67 P68 | E58-I81 PolarHBondContact OE2-N 2.76Å; A61-I81 HydrophobicContact CB-CD1 4.22Å; A61-I81 HydrophobicContact CB-CG2 3.64Å; A67-I81 HydrophobicContact CB-CD1 4.11Å; P68-I81 HydrophobicContact CG-CB 4.47Å; P68-I81 HydrophobicContact CG-CD1 4.11Å |
| 82 | W | 88.3 | Confident | 93.1 | Very high | 119 Ų | 119 | 41.9 Ų | 41.9 | 45% | 0.451 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -15.3 | -171 | -51.5 | 108.2 | 0 | 0 | 0 | 114.1 | L60 A61 F64 S80 G84 | L60-W82 HydrophobicContact CB-CZ2 4.22Å; A61-W82 HydrophobicContact CB-CH2 3.78Å; A61-W82 HydrophobicContact CB-CZ2 3.51Å; F64-W82 HydrophobicContact CD2-CH2 4.34Å; F64-W82 AromaticContact CE2-CH2 3.79Å; F64-W82 HydrophobicContact CE2-CH2 3.79Å; F64-W82 AromaticContact CE2-CZ3 3.82Å; F64-W82 HydrophobicContact CE2-CZ3 3.82Å; S80-W82 VanDerWaalsContact OG-CD1 3.24Å; S80-W82 PolarHBondContact OG-N 3.34Å; S80-W82 VanDerWaalsContact OG-N 3.08Å; W82-G84 VanDerWaalsContact C-N 3.34Å |
| 83 | D | 90.7 | Very high | 93.7 | Very high | 59 Ų | 59 | 35.2 Ų | 35.2 | 32% | 0.316 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -0.4 | -172.6 | 78 | -9.9 | 0 | 0 | 0 | 114.5 | S80 K85 Y87 | S80-D83 VanDerWaalsContact O-OD1 3.1Å; D83-K85 HydrophobicContact CB-CG 4.39Å; D83-K85 PolarHBondContact O-N 3.25Å; D83-K85 WeakPolarHBondContact OD1-CB 3.31Å; D83-K85 PolarHBondContact OD1-N 3.19Å; D83-K85 VanDerWaalsContact OD1-N 3.16Å; D83-K85 WeakPolarHBondContact OD2-CD 3.47Å; D83-K85 VanDerWaalsContact OD2-CE 3.26Å; D83-K85 WeakPolarHBondContact OD2-CE 3.14Å; D83-K85 WeakPolarHBondContact OD2-CG 3.36Å; D83-K85 IonicContact OD2-NZ 2.94Å; D83-K85 PolarHBondContact OD2-NZ 3.49Å; D83-Y87 PolarHBondContact OD1-OH 3.46Å; D83-Y87 PolarHBondContact OD2-OH 2.75Å |
| 84 | G | 86.1 | Confident | 94.1 | Very high | 76 Ų | 76 | 34.8 Ų | 34.8 | 78% | 0.784 | 19% | 0.192 | S | C | * | . | trans | 62.6 | 8.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | W82 | W82-G84 VanDerWaalsContact C-N 3.34Š| ||
| 85 | K | 91.4 | Very high | 94.1 | Very high | 113 Ų | 113 | 34.8 Ų | 34.8 | 49% | 0.491 | 19% | 0.192 | S | C | . | . | trans | -76.2 | 138.1 | -177 | -67.3 | -175.4 | -166.8 | 156.8 | 0 | 111 | D83 Y87 | D83-K85 HydrophobicContact CB-CG 4.39Å; D83-K85 PolarHBondContact O-N 3.25Å; D83-K85 WeakPolarHBondContact OD1-CB 3.31Å; D83-K85 PolarHBondContact OD1-N 3.19Å; D83-K85 VanDerWaalsContact OD1-N 3.16Å; D83-K85 WeakPolarHBondContact OD2-CD 3.47Å; D83-K85 VanDerWaalsContact OD2-CE 3.26Å; D83-K85 WeakPolarHBondContact OD2-CE 3.14Å; D83-K85 WeakPolarHBondContact OD2-CG 3.36Å; D83-K85 IonicContact OD2-NZ 2.94Å; D83-K85 PolarHBondContact OD2-NZ 3.49Å; K85-Y87 HydrophobicContact CB-CE1 4.3Å; K85-Y87 HydrophobicContact CB-CE2 4.2Å; K85-Y87 WeakPolarHBondContact O-CD2 3.41Å; K85-Y87 PolarHBondContact O-N 3.3Å | ||
| 86 | N | 91.5 | Very high | 93.8 | Very high | 144 Ų | 144 | 34.3 Ų | 34.3 | 77% | 0.77 | 19% | 0.19 | S | C | * | . | trans | -85.8 | 98.5 | 168.3 | -169.9 | 13.3 | 0 | 0 | 0 | 110.1 | ||||
| 87 | Y | 96.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | trans | -72.5 | 129.6 | 177.2 | -58.4 | -79.4 | 0 | 0 | 0 | 111.5 | G79 S80 D83 K85 A89 P143 V144 R145 R190 | G79-Y87 WeakPolarHBondContact CA-OH 3.21Å; S80-Y87 PolarHBondContact N-OH 3.5Å; S80-Y87 PolarHBondContact O-OH 3.46Å; D83-Y87 PolarHBondContact OD1-OH 3.46Å; D83-Y87 PolarHBondContact OD2-OH 2.75Å; K85-Y87 HydrophobicContact CB-CE1 4.3Å; K85-Y87 HydrophobicContact CB-CE2 4.2Å; K85-Y87 WeakPolarHBondContact O-CD2 3.41Å; K85-Y87 PolarHBondContact O-N 3.3Å; Y87-A89 VanDerWaalsContact C-N 3.3Å; Y87-A89 PolarHBondContact O-N 3.36Å; Y87-P143 CarbonylContact C-O 3.54Å; Y87-P143 WeakPolarHBondContact CA-O 3.39Å; Y87-P143 HydrophobicContact CD1-CB 4.2Å; Y87-V144 WeakPolarHBondContact CD1-O 3.3Å; Y87-R145 HydrophobicContact CD1-CB 4.17Å; Y87-R145 HydrophobicContact CD2-CB 4.33Å; Y87-R145 HydrophobicContact CG-CB 3.97Å; Y87-R190 WeakPolarHBondContact O-CD 3.28Å; Y87-R190 PolarHBondContact O-NE 2.89Å | ||
| 88 | A | 96.3 | Very high | 92.3 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -67.4 | -28.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y142 P143 P191 | A88-Y142 HydrophobicContact CB-CG 4.32Å; A88-P143 PolarHBondContact N-O 2.86Å; A88-P191 WeakPolarHBondContact O-CD 3.12Å |
| 89 | A | 97.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -159.8 | 162 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y87 R145 P191 L355 | Y87-A89 VanDerWaalsContact C-N 3.3Å; Y87-A89 PolarHBondContact O-N 3.36Å; A89-R145 PolarHBondContact O-N 3.16Å; A89-P191 CarbonylContact C-O 3.44Å; A89-P191 VanDerWaalsContact CA-O 3.23Å; A89-P191 WeakPolarHBondContact CA-O 3.48Å; A89-P191 HydrophobicContact CB-CB 4.33Å; A89-P191 VanDerWaalsContact CB-O 3.32Å; A89-P191 WeakPolarHBondContact CB-O 3.47Å; A89-L355 HydrophobicContact CB-CD2 3.59Å | ||
| 90 | D | 98.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 126.8 | 161 | -66.4 | -29.2 | 0 | 0 | 0 | 109 | V92 R145 L147 V187 R190 P191 I192 I193 | D90-V92 HydrophobicContact CB-CG2 4.38Å; D90-R145 CarbonylContact C-O 3.48Å; D90-R145 WeakPolarHBondContact CA-O 3.23Å; D90-R145 WeakPolarHBondContact OD1-CB 3.43Å; D90-R145 IonicContact OD1-CZ 3.33Å; D90-R145 VanDerWaalsContact OD1-CZ 3.24Å; D90-R145 IonicContact OD1-NE 3.16Å; D90-R145 PolarHBondContact OD1-NE 3.01Å; D90-R145 IonicContact OD1-NH2 2.86Å; D90-R145 PolarHBondContact OD1-NH2 3.01Å; D90-R145 IonicContact OD2-CZ 2.66Å; D90-R145 IonicContact OD2-NE 3.82Å; D90-R145 IonicContact OD2-NH2 3.51Å; D90-R145 PolarHBondContact OD2-NH2 2.91Å; D90-L147 HydrophobicContact CB-CD1 4.21Å; D90-V187 WeakPolarHBondContact OD2-CA 3.25Å; D90-R190 HydrophobicContact CB-CG 4.32Å; D90-R190 VanDerWaalsContact CG-CG 3.46Å; D90-R190 VanDerWaalsContact OD1-CD 3.23Å; D90-R190 WeakPolarHBondContact OD1-CD 3.46Å; D90-R190 WeakPolarHBondContact OD1-CG 3.16Å; D90-R190 IonicContact OD1-NH1 2.7Å; D90-R190 PolarHBondContact OD1-NH1 3.43Å; D90-R190 VanDerWaalsContact OD1-NH1 3.16Å; D90-R190 WeakPolarHBondContact OD2-CG 3.48Å; D90-R190 IonicContact OD2-NH1 3.77Å; D90-P191 PolarHBondContact N-O 3.4Å; D90-I192 WeakPolarHBondContact O-CA 3.46Å; D90-I193 PolarHBondContact O-N 2.63Å |
| 91 | I | 98.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 115.9 | 170.8 | -49.6 | 173.2 | 0 | 0 | 0 | 107.7 | F93 L136 L140 V144 R145 L146 L147 I193 V195 I351 | I91-F93 HydrophobicContact CB-CE2 4.05Å; I91-F93 HydrophobicContact CG2-CD2 4.24Å; I91-F93 HydrophobicContact CG2-CE2 3.41Å; I91-F93 VanDerWaalsContact CG2-CE2 3.41Å; I91-F93 HydrophobicContact CG2-CZ 3.75Å; I91-L136 HydrophobicContact CD1-CD2 4.24Å; I91-L140 HydrophobicContact CD1-CD1 3.91Å; I91-V144 HydrophobicContact CD1-CB 4.01Å; I91-V144 HydrophobicContact CD1-CG1 4.06Å; I91-V144 HydrophobicContact CD1-CG2 3.93Å; I91-V144 HydrophobicContact CG1-CB 4.38Å; I91-R145 PolarHBondContact N-O 2.76Å; I91-L146 HydrophobicContact CB-CD2 3.68Å; I91-L146 HydrophobicContact CD1-CD2 3.72Å; I91-L146 HydrophobicContact CG1-CD2 4.03Å; I91-L146 HydrophobicContact CG2-CD2 4.47Å; I91-L147 PolarHBondContact O-N 3.49Å; I91-I193 CarbonylContact C-O 3.29Å; I91-I193 VanDerWaalsContact CA-O 3.31Å; I91-I193 WeakPolarHBondContact CA-O 3.31Å; I91-I193 HydrophobicContact CG1-CB 4.31Å; I91-I193 HydrophobicContact CG2-CB 4.39Å; I91-I193 HydrophobicContact CG2-CG2 4.43Å; I91-V195 HydrophobicContact CG2-CG2 3.75Å; I91-I351 HydrophobicContact CD1-CD1 4.08Å; I91-I351 HydrophobicContact CD1-CG2 4.05Å; I91-I351 HydrophobicContact CG2-CD1 4.39Å |
| 92 | V | 98.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 120.9 | -169.8 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | D90 L94 L147 V149 L182 V187 I192 I193 W194 V195 | D90-V92 HydrophobicContact CB-CG2 4.38Å; V92-L94 HydrophobicContact CG1-CD1 3.93Å; V92-L147 CarbonylContact C-O 3.55Å; V92-L147 WeakPolarHBondContact CA-O 3.46Å; V92-L147 HydrophobicContact CG1-CB 4.45Å; V92-L147 HydrophobicContact CG2-CB 4.47Å; V92-L147 HydrophobicContact CG2-CD1 4.37Å; V92-V149 HydrophobicContact CG1-CG2 4.05Å; V92-L182 HydrophobicContact CG1-CD1 4.3Å; V92-L182 HydrophobicContact CG1-CD2 4.05Å; V92-V187 HydrophobicContact CG2-CG1 4.28Å; V92-V187 HydrophobicContact CG2-CG2 4.41Å; V92-I192 HydrophobicContact CG2-CG2 4.13Å; V92-I193 PolarHBondContact N-O 3.48Å; V92-W194 HydrophobicContact CB-CE3 3.69Å; V92-W194 HydrophobicContact CB-CZ3 3.71Å; V92-W194 HydrophobicContact CG1-CE3 3.95Å; V92-W194 HydrophobicContact CG1-CZ3 3.59Å; V92-W194 HydrophobicContact CG2-CE3 4.46Å; V92-W194 HydrophobicContact CG2-CZ3 4.24Å; V92-V195 PolarHBondContact O-N 2.95Å |
| 93 | F | 98.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120.3 | -173 | -70.9 | -97.9 | 0 | 0 | 0 | 112.3 | I91 W105 W131 V132 L136 L146 L147 A148 V149 V195 | I91-F93 HydrophobicContact CB-CE2 4.05Å; I91-F93 HydrophobicContact CG2-CD2 4.24Å; I91-F93 HydrophobicContact CG2-CE2 3.41Å; I91-F93 VanDerWaalsContact CG2-CE2 3.41Å; I91-F93 HydrophobicContact CG2-CZ 3.75Å; F93-W105 HydrophobicContact CB-CD2 4.31Å; F93-W105 HydrophobicContact CB-CZ2 3.82Å; F93-W105 AromaticContact CD1-CD2 3.92Å; F93-W105 HydrophobicContact CD1-CD2 3.92Å; F93-W105 AromaticContact CD1-CE2 3.98Å; F93-W105 AromaticContact CD1-CE3 3.89Å; F93-W105 HydrophobicContact CD1-CE3 3.89Å; F93-W105 AromaticContact CD1-CH2 4Å; F93-W105 HydrophobicContact CD1-CH2 4Å; F93-W105 HydrophobicContact CD1-CZ2 4.01Å; F93-W105 AromaticContact CD1-CZ3 3.94Å; F93-W105 HydrophobicContact CD1-CZ3 3.94Å; F93-W105 HydrophobicContact CG-CZ2 4.43Å; F93-W131 HydrophobicContact CE1-CH2 4.13Å; F93-V132 HydrophobicContact CD1-CG1 4.15Å; F93-V132 HydrophobicContact CD1-CG2 3.74Å; F93-V132 HydrophobicContact CD2-CG1 3.73Å; F93-V132 HydrophobicContact CE1-CB 4.25Å; F93-V132 HydrophobicContact CE1-CG1 3.77Å; F93-V132 HydrophobicContact CE1-CG2 3.4Å; F93-V132 VanDerWaalsContact CE1-CG2 3.4Å; F93-V132 HydrophobicContact CE2-CG1 3.31Å; F93-V132 HydrophobicContact CG-CG1 4.14Å; F93-V132 HydrophobicContact CG-CG2 4.42Å; F93-V132 HydrophobicContact CZ-CB 4.24Å; F93-V132 HydrophobicContact CZ-CG1 3.35Å; F93-V132 HydrophobicContact CZ-CG2 3.86Å; F93-L136 HydrophobicContact CE2-CD2 4.31Å; F93-L136 HydrophobicContact CZ-CD2 3.68Å; F93-L146 HydrophobicContact CE2-CD2 4.25Å; F93-L147 WeakPolarHBondContact CD2-O 3.48Å; F93-L147 PolarHBondContact N-O 3.31Å; F93-A148 HydrophobicContact CB-CB 4Å; F93-A148 WeakPolarHBondContact O-CA 3.47Å; F93-V149 PolarHBondContact O-N 3.48Å; F93-V195 CarbonylContact C-O 3.45Å; F93-V195 VanDerWaalsContact CA-O 3.22Å; F93-V195 WeakPolarHBondContact CA-O 3.21Å; F93-V195 HydrophobicContact CD1-CB 3.68Å; F93-V195 HydrophobicContact CD1-CG1 3.76Å; F93-V195 HydrophobicContact CD1-CG2 4.45Å; F93-V195 HydrophobicContact CE1-CB 3.62Å; F93-V195 HydrophobicContact CE1-CG1 3.59Å; F93-V195 HydrophobicContact CE1-CG2 3.95Å; F93-V195 HydrophobicContact CG-CB 4.28Å; F93-V195 HydrophobicContact CZ-CB 4.17Å; F93-V195 HydrophobicContact CZ-CG1 4.48Å; F93-V195 HydrophobicContact CZ-CG2 4.04Å |
| 94 | L | 96.9 | Very high | 91 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.3 | 178.2 | -73.3 | 85.8 | 0 | 0 | 0 | 111.6 | V92 W105 V149 L178 W194 V195 S196 H197 I203 V204 | V92-L94 HydrophobicContact CG1-CD1 3.93Å; L94-W105 VanDerWaalsContact C-CZ2 3.5Å; L94-W105 VanDerWaalsContact O-CZ2 3.32Å; L94-W105 WeakPolarHBondContact O-CZ2 3.08Å; L94-V149 HydrophobicContact CG-CB 4.35Å; L94-L178 HydrophobicContact CD2-CD1 4.28Å; L94-W194 HydrophobicContact CD1-CE3 3.59Å; L94-W194 HydrophobicContact CD1-CZ3 3.8Å; L94-V195 PolarHBondContact N-O 3.28Å; L94-S196 WeakPolarHBondContact O-CA 3.41Å; L94-H197 PolarHBondContact O-N 2.9Å; L94-I203 HydrophobicContact CD2-CB 4.34Å; L94-I203 HydrophobicContact CD2-CG2 3.86Å; L94-V204 HydrophobicContact CD1-CG2 3.93Å; L94-V204 HydrophobicContact CD2-CG2 3.94Å; L94-V204 HydrophobicContact CG-CG2 4.42Å |
| 95 | H | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -70.6 | 177.5 | 178.2 | 65.3 | 74.3 | 0 | 0 | 0 | 112.3 | G99 T104 V149 D150 Y151 H197 G200 | H95-G99 PolarHBondContact CE1-O 2.85Å; H95-G99 VanDerWaalsContact CE1-O 3.31Å; H95-G99 PolarHBondContact ND1-O 3.28Å; H95-T104 HydrophobicContact CB-CG2 3.99Å; H95-T104 VanDerWaalsContact CB-OG1 3.24Å; H95-T104 WeakPolarHBondContact CB-OG1 3.44Å; H95-V149 PolarHBondContact CD2-O 3.15Å; H95-D150 IonicContact CD2-OD1 3.17Å; H95-D150 PolarHBondContact CD2-OD1 3.46Å; H95-D150 WeakPolarHBondContact NE2-CA 3.27Å; H95-D150 IonicContact NE2-OD1 2.72Å; H95-D150 PolarHBondContact NE2-OD1 3.49Å; H95-Y151 AromaticContact CE1-CD1 3.9Å; H95-Y151 AromaticContact CE1-CD2 3.93Å; H95-Y151 AromaticContact CE1-CE1 3.72Å; H95-Y151 AromaticContact CE1-CE2 3.76Å; H95-Y151 AromaticContact CE1-CZ 3.65Å; H95-Y151 PolarHBondContact CE1-O 3.03Å; H95-Y151 VanDerWaalsContact CE1-O 3.23Å; H95-Y151 AromaticContact ND1-CE1 3.93Å; H95-Y151 AromaticContact ND1-CZ 3.74Å; H95-Y151 AromaticContact NE2-CD1 3.83Å; H95-Y151 AromaticContact NE2-CE1 3.93Å; H95-Y151 PolarHBondContact NE2-N 3.38Å; H95-Y151 PolarHBondContact NE2-O 3.2Å; H95-Y151 PolarHBondContact O-OH 3.23Å; H95-H197 CarbonylContact C-O 3.46Å; H95-G200 WeakPolarHBondContact O-CA 3.26Å; H95-G200 PolarHBondContact O-N 2.5Å | ||
| 96 | G | 88.3 | Confident | 91.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | trans | -103.8 | -164.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G99 S153 H197 | G96-G99 WeakPolarHBondContact O-CA 3.39Å; G96-G99 PolarHBondContact O-N 3.42Å; G96-S153 PolarHBondContact O-OG 3.3Å; G96-H197 WeakPolarHBondContact CA-O 3.35Å; G96-H197 PolarHBondContact N-O 3.12Å | ||
| 97 | L | 81.2 | Confident | 91.6 | Very high | 24 Ų | 24 | 27.1 Ų | 27.1 | 13% | 0.126 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 132.3 | 179.4 | -164.6 | 58.8 | 0 | 0 | 0 | 112.4 | G99 F154 L155 M199 E261 V262 | L97-G99 PolarHBondContact O-N 3.34Å; L97-G99 VanDerWaalsContact O-N 3.12Å; L97-F154 VanDerWaalsContact CD1-O 3.31Å; L97-F154 WeakPolarHBondContact CD1-O 3.26Å; L97-L155 HydrophobicContact CD2-CD2 3.4Å; L97-L155 VanDerWaalsContact CD2-CD2 3.4Å; L97-L155 HydrophobicContact CD2-CG 4.08Å; L97-L155 HydrophobicContact CG-CD2 4.15Å; L97-L155 HydrophobicContact CG-CG 4.33Å; L97-M199 HydrophobicContact CD1-CE 4.03Å; L97-M199 HydrophobicContact CD1-SD 4.18Å; L97-E261 HydrophobicContact CD1-CB 4.42Å; L97-E261 VanDerWaalsContact CD1-OE2 3.24Å; L97-E261 WeakPolarHBondContact CD1-OE2 3.45Å; L97-V262 HydrophobicContact CD2-CG2 3.69Å |
| 98 | R | 76.2 | Confident | 91.4 | Very high | 156 Ų | 156 | 27.6 Ų | 27.6 | 59% | 0.589 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 9.7 | -170 | -54.8 | 179.1 | 72.1 | 172.7 | 12.9 | 114.6 | S153 L155 | R98-S153 PolarHBondContact N-OG 2.92Å; R98-L155 VanDerWaalsContact CD-CG 3.42Å; R98-L155 HydrophobicContact CG-CB 4.47Å; R98-L155 HydrophobicContact CG-CD1 4.26Å; R98-L155 HydrophobicContact CG-CG 3.93Å |
| 99 | G | 80.4 | Confident | 90.9 | Very high | 12 Ų | 12 | 29.7 Ų | 29.7 | 12% | 0.124 | 13% | 0.125 | C | C | . | . | trans | -72.7 | 162.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | H95 G96 L97 | H95-G99 PolarHBondContact CE1-O 2.85Å; H95-G99 VanDerWaalsContact CE1-O 3.31Å; H95-G99 PolarHBondContact ND1-O 3.28Å; G96-G99 WeakPolarHBondContact O-CA 3.39Å; G96-G99 PolarHBondContact O-N 3.42Å; L97-G99 PolarHBondContact O-N 3.34Å; L97-G99 VanDerWaalsContact O-N 3.12Å | ||
| 100 | R | 87.1 | Confident | 90.1 | Very high | 81 Ų | 81 | 32.8 Ų | 32.8 | 31% | 0.306 | 14% | 0.139 | S | C | . | . | trans | -145.6 | 160.8 | 160.5 | -64.9 | -173.8 | 72.4 | 106.7 | -9.2 | 107.1 | E48 F102 R103 T104 D150 | E48-R100 IonicContact OE1-NH2 3.89Å; R100-F102 VanDerWaalsContact C-N 3.25Å; R100-F102 HydrophobicContact CB-CD2 4.41Å; R100-F102 PolarHBondContact O-N 2.69Å; R100-R103 HydrophobicContact CB-CB 4.33Å; R100-R103 HydrophobicContact CB-CG 4.3Å; R100-R103 PolarHBondContact O-N 3.42Å; R100-T104 WeakPolarHBondContact O-CB 3.28Å; R100-T104 PolarHBondContact O-N 2.83Å; R100-T104 PolarHBondContact O-OG1 2.97Å; R100-T104 VanDerWaalsContact O-OG1 3.06Å; R100-D150 WeakPolarHBondContact CA-OD1 3.15Å; R100-D150 IonicContact NE-OD2 2.67Å; R100-D150 IonicContact NH2-OD2 2.87Å | ||
| 101 | V | 87.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -50.2 | -50.7 | 175.4 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | L51 Y75 L77 R103 W105 A148 D150 | L51-V101 HydrophobicContact CD1-CG1 4.09Å; Y75-V101 HydrophobicContact CD2-CB 4.44Å; Y75-V101 HydrophobicContact CD2-CG2 3.95Å; Y75-V101 HydrophobicContact CE2-CG2 4.29Å; L77-V101 HydrophobicContact CD2-CG1 4.2Å; V101-R103 PolarHBondContact O-N 2.73Å; V101-W105 PolarHBondContact O-N 2.84Å; V101-A148 HydrophobicContact CB-CB 4.2Å; V101-A148 HydrophobicContact CG1-CB 3.57Å; V101-A148 HydrophobicContact CG2-CB 3.52Å; V101-D150 HydrophobicContact CG2-CB 4.49Å; V101-D150 WeakPolarHBondContact CG2-OD1 3.48Å; V101-D150 PolarHBondContact N-OD1 2.91Å |
| 102 | F | 83.6 | Confident | 88.2 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 13% | 0.127 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -18.7 | -179 | -41.8 | -77.1 | 0 | 0 | 0 | 114.5 | F47 E48 L51 Y75 R100 | F47-F102 AromaticContact CD1-CD1 3.55Å; F47-F102 HydrophobicContact CD1-CD1 3.55Å; F47-F102 HydrophobicContact CD1-CE1 4.21Å; F47-F102 AromaticContact CE1-CD1 3.85Å; F47-F102 HydrophobicContact CE1-CD1 3.85Å; F47-F102 HydrophobicContact CE1-CE1 4.31Å; F47-F102 HydrophobicContact CG-CD1 4.39Å; E48-F102 HydrophobicContact CB-CD1 3.94Å; E48-F102 HydrophobicContact CB-CE1 3.73Å; E48-F102 HydrophobicContact CB-CE2 4.36Å; E48-F102 HydrophobicContact CB-CG 4.37Å; E48-F102 HydrophobicContact CB-CZ 3.95Å; E48-F102 HydrophobicContact CG-CD2 4.47Å; E48-F102 HydrophobicContact CG-CE1 4.03Å; E48-F102 HydrophobicContact CG-CE2 3.94Å; E48-F102 HydrophobicContact CG-CZ 3.7Å; L51-F102 HydrophobicContact CB-CE1 4.19Å; L51-F102 HydrophobicContact CD1-CD1 4.26Å; L51-F102 HydrophobicContact CD1-CE1 3.41Å; L51-F102 VanDerWaalsContact CD1-CE1 3.41Å; L51-F102 HydrophobicContact CD1-CZ 4.01Å; L51-F102 HydrophobicContact CG-CE1 3.99Å; Y75-F102 HydrophobicContact CE1-CZ 4.15Å; Y75-F102 HydrophobicContact CE2-CE2 4.4Å; Y75-F102 HydrophobicContact CE2-CZ 4.28Å; Y75-F102 AromaticContact CZ-CZ 3.95Å; R100-F102 VanDerWaalsContact C-N 3.25Å; R100-F102 HydrophobicContact CB-CD2 4.41Å; R100-F102 PolarHBondContact O-N 2.69Å |
| 103 | R | 87.9 | Confident | 87.5 | Confident | 151 Ų | 151 | 52.5 Ų | 52.5 | 57% | 0.57 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -103.1 | -36.6 | -176.6 | -68.6 | -176 | 178.6 | -173.4 | 0.2 | 112.1 | R100 V101 R106 K335 | R100-R103 HydrophobicContact CB-CB 4.33Å; R100-R103 HydrophobicContact CB-CG 4.3Å; R100-R103 PolarHBondContact O-N 3.42Å; V101-R103 PolarHBondContact O-N 2.73Å; R103-R106 PolarHBondContact O-NH1 3.07Å; R103-K335 WeakPolarHBondContact O-CE 3.4Å |
| 104 | T | 93.3 | Very high | 87 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 5% | 0.049 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -82.1 | -46.3 | -172.5 | -55.8 | 0 | 0 | 0 | 0 | 110.4 | H95 R100 R106 H197 K335 | H95-T104 HydrophobicContact CB-CG2 3.99Å; H95-T104 VanDerWaalsContact CB-OG1 3.24Å; H95-T104 WeakPolarHBondContact CB-OG1 3.44Å; R100-T104 WeakPolarHBondContact O-CB 3.28Å; R100-T104 PolarHBondContact O-N 2.83Å; R100-T104 PolarHBondContact O-OG1 2.97Å; R100-T104 VanDerWaalsContact O-OG1 3.06Å; T104-R106 VanDerWaalsContact C-N 3.29Å; T104-R106 PolarHBondContact O-N 2.96Å; T104-H197 HydrophobicContact CG2-CB 4.05Å; T104-K335 WeakPolarHBondContact O-CG 3.27Å |
| 105 | W | 95.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -93.8 | 36.8 | -169.7 | -51 | 121.4 | 0 | 0 | 0 | 113.5 | F93 L94 V101 C130 W131 V132 V195 H197 C334 | F93-W105 HydrophobicContact CB-CD2 4.31Å; F93-W105 HydrophobicContact CB-CZ2 3.82Å; F93-W105 AromaticContact CD1-CD2 3.92Å; F93-W105 HydrophobicContact CD1-CD2 3.92Å; F93-W105 AromaticContact CD1-CE2 3.98Å; F93-W105 AromaticContact CD1-CE3 3.89Å; F93-W105 HydrophobicContact CD1-CE3 3.89Å; F93-W105 AromaticContact CD1-CH2 4Å; F93-W105 HydrophobicContact CD1-CH2 4Å; F93-W105 HydrophobicContact CD1-CZ2 4.01Å; F93-W105 AromaticContact CD1-CZ3 3.94Å; F93-W105 HydrophobicContact CD1-CZ3 3.94Å; F93-W105 HydrophobicContact CG-CZ2 4.43Å; L94-W105 VanDerWaalsContact C-CZ2 3.5Å; L94-W105 VanDerWaalsContact O-CZ2 3.32Å; L94-W105 WeakPolarHBondContact O-CZ2 3.08Å; V101-W105 PolarHBondContact O-N 2.84Å; W105-C130 VanDerWaalsContact O-CA 3.28Å; W105-C130 WeakPolarHBondContact O-CA 3.38Å; W105-W131 HydrophobicContact CE3-CZ2 4.11Å; W105-W131 VanDerWaalsContact O-CD1 3.28Å; W105-W131 PolarHBondContact O-N 2.71Å; W105-V132 HydrophobicContact CB-CG2 3.8Å; W105-V132 HydrophobicContact CD2-CG2 4.43Å; W105-V132 HydrophobicContact CE3-CG2 4.34Å; W105-V132 HydrophobicContact CG-CG2 4.24Å; W105-V195 HydrophobicContact CH2-CG1 4.14Å; W105-V195 HydrophobicContact CZ3-CG1 4.19Å; W105-H197 HydrophobicContact CH2-CB 4.1Å; W105-C334 HydrophobicContact CE3-CB 4.26Å; W105-C334 HydrophobicContact CZ3-CB 3.79Å |
| 106 | R | 93.4 | Very high | 86.3 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 23% | 0.226 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -105.2 | 159.3 | -179 | 72.7 | 173.5 | -169.6 | -100 | 9.2 | 112 | R103 T104 D109 S129 K335 | R103-R106 PolarHBondContact O-NH1 3.07Å; T104-R106 VanDerWaalsContact C-N 3.29Å; T104-R106 PolarHBondContact O-N 2.96Å; R106-D109 IonicContact CZ-OD1 3.96Å; R106-D109 IonicContact CZ-OD2 3.53Å; R106-D109 IonicContact NE-OD1 3.23Å; R106-D109 PolarHBondContact NE-OD1 3.43Å; R106-D109 IonicContact NE-OD2 3.13Å; R106-D109 IonicContact NH2-OD1 3.61Å; R106-D109 PolarHBondContact NH2-OD1 3.06Å; R106-D109 IonicContact NH2-OD2 3.71Å; R106-D109 PolarHBondContact NH2-OD2 3.32Å; R106-S129 VanDerWaalsContact CB-O 3.3Å; R106-S129 WeakPolarHBondContact CB-O 3.35Å; R106-K335 HydrophobicContact CG-CD 4.15Å; R106-K335 WeakPolarHBondContact O-CA 3.4Å; R106-K335 WeakPolarHBondContact O-CB 3.42Å; R106-K335 WeakPolarHBondContact O-CG 3.46Å |
| 107 | Q | 94.3 | Very high | 86.3 | Confident | 20 Ų | 20 | 74 Ų | 74 | 9% | 0.093 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -63 | 145.1 | 171.3 | -177.8 | 175 | 10 | 0 | 0 | 111.2 | D109 R127 T128 W135 E337 | Q107-D109 PolarHBondContact O-N 3.24Å; Q107-R127 PolarHBondContact O-NH2 2.66Å; Q107-R127 VanDerWaalsContact OE1-CA 3.29Å; Q107-T128 HydrophobicContact CB-CG2 3.81Å; Q107-W135 HydrophobicContact CB-CH2 4.18Å; Q107-W135 HydrophobicContact CB-CZ2 4.47Å; Q107-W135 HydrophobicContact CG-CH2 3.78Å; Q107-W135 HydrophobicContact CG-CZ2 4.2Å; Q107-E337 WeakPolarHBondContact CG-O 3.42Å; Q107-E337 PolarHBondContact NE2-O 2.81Å |
| 108 | K | 91.6 | Very high | 86.5 | Confident | 21 Ų | 21 | 76 Ų | 76 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 130.1 | -179.8 | -162.6 | 176 | 178.9 | -179.4 | 0 | 112.2 | R127 E328 Y332 K335 P336 E337 | K108-R127 VanDerWaalsContact C-NH2 3.35Å; K108-R127 VanDerWaalsContact O-CZ 3.26Å; K108-R127 PolarHBondContact O-NH1 2.95Å; K108-R127 PolarHBondContact O-NH2 3.29Å; K108-E328 VanDerWaalsContact NZ-CD 3.27Å; K108-E328 IonicContact NZ-OE1 2.6Å; K108-E328 PolarHBondContact NZ-OE1 2.87Å; K108-E328 IonicContact NZ-OE2 2.69Å; K108-E328 PolarHBondContact NZ-OE2 3.37Å; K108-E328 VanDerWaalsContact NZ-OE2 3.16Å; K108-Y332 HydrophobicContact CG-CD1 3.83Å; K108-Y332 HydrophobicContact CG-CE1 4.23Å; K108-K335 HydrophobicContact CB-CB 4.41Å; K108-K335 WeakPolarHBondContact CB-O 3.47Å; K108-P336 PolarHBondContact N-O 3.47Å; K108-E337 HydrophobicContact CB-CB 4.32Å; K108-E337 HydrophobicContact CD-CB 4.3Å |
| 109 | D | 85.8 | Confident | 87 | Confident | 60 Ų | 60 | 70 Ų | 70 | 32% | 0.321 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 141.9 | 179.7 | -55.8 | -32.1 | 0 | 0 | 0 | 110.7 | R106 Q107 I111 | R106-D109 IonicContact CZ-OD1 3.96Å; R106-D109 IonicContact CZ-OD2 3.53Å; R106-D109 IonicContact NE-OD1 3.23Å; R106-D109 PolarHBondContact NE-OD1 3.43Å; R106-D109 IonicContact NE-OD2 3.13Å; R106-D109 IonicContact NH2-OD1 3.61Å; R106-D109 PolarHBondContact NH2-OD1 3.06Å; R106-D109 IonicContact NH2-OD2 3.71Å; R106-D109 PolarHBondContact NH2-OD2 3.32Å; Q107-D109 PolarHBondContact O-N 3.24Å; D109-I111 PolarHBondContact O-N 2.89Å |
| 110 | F | 81.1 | Confident | 87.3 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 29% | 0.289 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 124.3 | 178.4 | 173.8 | -115 | 0 | 0 | 0 | 110.9 | R112 N119 L122 | F110-R112 HydrophobicContact CD1-CG 4.37Å; F110-R112 HydrophobicContact CE1-CB 4.47Å; F110-R112 HydrophobicContact CE1-CG 3.93Å; F110-N119 HydrophobicContact CE1-CB 4.3Å; F110-N119 HydrophobicContact CZ-CB 4.26Å; F110-N119 WeakPolarHBondContact CZ-OD1 3.35Å; F110-L122 HydrophobicContact CD2-CB 3.85Å; F110-L122 HydrophobicContact CD2-CD1 4.34Å; F110-L122 HydrophobicContact CE2-CB 3.35Å; F110-L122 HydrophobicContact CE2-CD1 3.41Å; F110-L122 VanDerWaalsContact CE2-CD1 3.41Å; F110-L122 HydrophobicContact CE2-CG 3.98Å; F110-L122 HydrophobicContact CZ-CB 3.8Å; F110-L122 HydrophobicContact CZ-CD1 4.07Å |
| 111 | I | 78 | Confident | 87.2 | Confident | 100 Ų | 100 | 76.1 Ų | 76.1 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | trans | -92.9 | 114.2 | 173.8 | -57.4 | 176.4 | 0 | 0 | 0 | 108.2 | D109 Q113 | D109-I111 PolarHBondContact O-N 2.89Å; I111-Q113 PolarHBondContact O-N 3.34Å; I111-Q113 PolarHBondContact O-NE2 3.02Å | ||
| 112 | R | 79.3 | Confident | 87 | Confident | 215 Ų | 215 | 78.2 Ų | 78.2 | 81% | 0.811 | 37% | 0.373 | S | S | * | . | trans | -56.9 | 124.1 | 175.3 | -73.6 | -177.1 | 174.8 | 174.4 | -2 | 110.5 | F110 N119 | F110-R112 HydrophobicContact CD1-CG 4.37Å; F110-R112 HydrophobicContact CE1-CB 4.47Å; F110-R112 HydrophobicContact CE1-CG 3.93Å; R112-N119 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 113 | Q | 83.8 | Confident | 86.9 | Confident | 98 Ų | 98 | 80.4 Ų | 80.4 | 46% | 0.458 | 39% | 0.392 | S | S | . | . | trans | -86.7 | 169.4 | 172.8 | -59.3 | -59.9 | -28.5 | 0 | 0 | 110.5 | I111 D115 L118 N119 | I111-Q113 PolarHBondContact O-N 3.34Å; I111-Q113 PolarHBondContact O-NE2 3.02Å; Q113-D115 VanDerWaalsContact C-N 3.29Å; Q113-L118 HydrophobicContact CB-CD2 4.16Å; Q113-L118 HydrophobicContact CG-CD2 3.98Å; Q113-N119 PolarHBondContact N-OD1 3.3Å; Q113-N119 PolarHBondContact O-ND2 3.35Å; Q113-N119 PolarHBondContact O-OD1 2.94Å | ||
| 114 | K | 86.7 | Confident | 86.7 | Confident | 219 Ų | 219 | 80.3 Ų | 80.3 | 95% | 0.952 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -68.8 | -30.1 | 174.7 | -70.1 | -177.2 | 177.4 | 179.9 | 0 | 112.6 | A116 | K114-A116 PolarHBondContact O-N 3.19Š|
| 115 | D | 88.4 | Confident | 86.2 | Confident | 84 Ų | 84 | 86.3 Ų | 86.3 | 45% | 0.449 | 42% | 0.418 | S | S | . | . | trans | -79.6 | 117.1 | -179.8 | -174.2 | -28.6 | 0 | 0 | 0 | 111.1 | Q113 S117 L118 N119 | Q113-D115 VanDerWaalsContact C-N 3.29Å; D115-S117 WeakPolarHBondContact OD1-CA 3.4Å; D115-S117 WeakPolarHBondContact OD1-CB 3.2Å; D115-S117 PolarHBondContact OD1-N 3.4Å; D115-S117 PolarHBondContact OD1-OG 2.67Å; D115-L118 HydrophobicContact CB-CB 3.81Å; D115-L118 PolarHBondContact O-N 3.49Å; D115-L118 PolarHBondContact OD1-N 3.12Å; D115-L118 VanDerWaalsContact OD1-N 3.12Å; D115-N119 PolarHBondContact O-N 3.48Å; D115-N119 PolarHBondContact O-ND2 2.83Å; D115-N119 VanDerWaalsContact O-ND2 3.11Å | ||
| 116 | A | 89 | Confident | 85.7 | Confident | 74 Ų | 74 | 92.5 Ų | 92.5 | 61% | 0.612 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.7 | -37.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K114 L118 N119 E120 | K114-A116 PolarHBondContact O-N 3.19Å; A116-L118 VanDerWaalsContact C-N 3.35Å; A116-N119 WeakPolarHBondContact O-CB 3.47Å; A116-N119 PolarHBondContact O-N 3.08Å; A116-E120 PolarHBondContact O-N 3.43Å |
| 117 | S | 88 | Confident | 85.5 | Confident | 77 Ų | 77 | 94.8 Ų | 94.8 | 54% | 0.538 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 178.8 | 72.8 | 0 | 0 | 0 | 0 | 111 | D115 E120 F121 | D115-S117 WeakPolarHBondContact OD1-CA 3.4Å; D115-S117 WeakPolarHBondContact OD1-CB 3.2Å; D115-S117 PolarHBondContact OD1-N 3.4Å; D115-S117 PolarHBondContact OD1-OG 2.67Å; S117-E120 PolarHBondContact O-N 3.08Å; S117-F121 WeakPolarHBondContact O-CB 3.24Å; S117-F121 PolarHBondContact O-N 2.78Å |
| 118 | L | 85.4 | Confident | 85.3 | Confident | 66 Ų | 66 | 94.5 Ų | 94.5 | 35% | 0.346 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 174 | -176.1 | 60 | 0 | 0 | 0 | 111.6 | Q113 D115 A116 E120 F121 L122 | Q113-L118 HydrophobicContact CB-CD2 4.16Å; Q113-L118 HydrophobicContact CG-CD2 3.98Å; D115-L118 HydrophobicContact CB-CB 3.81Å; D115-L118 PolarHBondContact O-N 3.49Å; D115-L118 PolarHBondContact OD1-N 3.12Å; D115-L118 VanDerWaalsContact OD1-N 3.12Å; A116-L118 VanDerWaalsContact C-N 3.35Å; L118-E120 VanDerWaalsContact C-N 3.35Å; L118-E120 PolarHBondContact O-N 2.72Å; L118-F121 PolarHBondContact O-N 3.48Å; L118-L122 HydrophobicContact CD1-CD1 3.79Å; L118-L122 HydrophobicContact CD1-CG 4Å; L118-L122 HydrophobicContact CD2-CD1 4.39Å; L118-L122 HydrophobicContact CG-CD1 3.72Å; L118-L122 HydrophobicContact CG-CG 4.3Å; L118-L122 WeakPolarHBondContact O-CB 3.25Å; L118-L122 VanDerWaalsContact O-CG 3.24Å; L118-L122 WeakPolarHBondContact O-CG 3.49Å; L118-L122 PolarHBondContact O-N 3Å |
| 119 | N | 87 | Confident | 85.2 | Confident | 30 Ų | 30 | 96.8 Ų | 96.8 | 16% | 0.16 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 174.6 | -72.3 | -35.2 | 0 | 0 | 0 | 112.1 | F110 R112 Q113 D115 A116 L122 S123 | F110-N119 HydrophobicContact CE1-CB 4.3Å; F110-N119 HydrophobicContact CZ-CB 4.26Å; F110-N119 WeakPolarHBondContact CZ-OD1 3.35Å; R112-N119 WeakPolarHBondContact CA-OD1 3.39Å; Q113-N119 PolarHBondContact N-OD1 3.3Å; Q113-N119 PolarHBondContact O-ND2 3.35Å; Q113-N119 PolarHBondContact O-OD1 2.94Å; D115-N119 PolarHBondContact O-N 3.48Å; D115-N119 PolarHBondContact O-ND2 2.83Å; D115-N119 VanDerWaalsContact O-ND2 3.11Å; A116-N119 WeakPolarHBondContact O-CB 3.47Å; A116-N119 PolarHBondContact O-N 3.08Å; N119-L122 PolarHBondContact O-N 2.65Å; N119-S123 WeakPolarHBondContact O-CB 3.44Å; N119-S123 PolarHBondContact O-N 2.89Å; N119-S123 PolarHBondContact O-OG 3.18Å |
| 120 | E | 87.1 | Confident | 85.5 | Confident | 106 Ų | 106 | 93.9 Ų | 93.9 | 50% | 0.495 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.7 | -49 | 177.7 | -172.4 | -179.9 | 169.4 | 0 | 0 | 110.7 | A116 S117 L118 L122 S123 K124 | A116-E120 PolarHBondContact O-N 3.43Å; S117-E120 PolarHBondContact O-N 3.08Å; L118-E120 VanDerWaalsContact C-N 3.35Å; L118-E120 PolarHBondContact O-N 2.72Å; E120-L122 PolarHBondContact O-N 3.46Å; E120-S123 PolarHBondContact O-N 3Å; E120-S123 PolarHBondContact O-OG 3.47Å; E120-K124 HydrophobicContact CG-CD 4.48Å; E120-K124 WeakPolarHBondContact O-CG 3.37Å; E120-K124 PolarHBondContact O-N 3.06Å; E120-K124 WeakPolarHBondContact OE1-CE 3.36Å; E120-K124 IonicContact OE1-NZ 3.8Å; E120-K124 PolarHBondContact OE1-NZ 3.11Å |
| 121 | F | 85.2 | Confident | 86.2 | Confident | 115 Ų | 115 | 90.8 Ų | 90.8 | 50% | 0.504 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 177.5 | 176 | -107.1 | 0 | 0 | 0 | 112.6 | S117 L118 S123 K124 | S117-F121 WeakPolarHBondContact O-CB 3.24Å; S117-F121 PolarHBondContact O-N 2.78Å; L118-F121 PolarHBondContact O-N 3.48Å; F121-S123 PolarHBondContact O-N 2.73Å; F121-K124 PolarHBondContact O-N 3.28Å |
| 122 | L | 83.2 | Confident | 87.1 | Confident | 43 Ų | 43 | 86 Ų | 86 | 23% | 0.225 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.4 | -32.8 | -179.6 | -67.9 | 173.8 | 0 | 0 | 0 | 112.3 | F110 L118 N119 E120 K124 R125 | F110-L122 HydrophobicContact CD2-CB 3.85Å; F110-L122 HydrophobicContact CD2-CD1 4.34Å; F110-L122 HydrophobicContact CE2-CB 3.35Å; F110-L122 HydrophobicContact CE2-CD1 3.41Å; F110-L122 VanDerWaalsContact CE2-CD1 3.41Å; F110-L122 HydrophobicContact CE2-CG 3.98Å; F110-L122 HydrophobicContact CZ-CB 3.8Å; F110-L122 HydrophobicContact CZ-CD1 4.07Å; L118-L122 HydrophobicContact CD1-CD1 3.79Å; L118-L122 HydrophobicContact CD1-CG 4Å; L118-L122 HydrophobicContact CD2-CD1 4.39Å; L118-L122 HydrophobicContact CG-CD1 3.72Å; L118-L122 HydrophobicContact CG-CG 4.3Å; L118-L122 WeakPolarHBondContact O-CB 3.25Å; L118-L122 VanDerWaalsContact O-CG 3.24Å; L118-L122 WeakPolarHBondContact O-CG 3.49Å; L118-L122 PolarHBondContact O-N 3Å; N119-L122 PolarHBondContact O-N 2.65Å; E120-L122 PolarHBondContact O-N 3.46Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 3.2Å; L122-R125 PolarHBondContact O-N 3.22Å |
| 123 | S | 81.3 | Confident | 87.8 | Confident | 76 Ų | 76 | 78.1 Ų | 78.1 | 53% | 0.531 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.3 | -27.5 | 176.2 | 73.7 | 0 | 0 | 0 | 0 | 113.7 | N119 E120 F121 | N119-S123 WeakPolarHBondContact O-CB 3.44Å; N119-S123 PolarHBondContact O-N 2.89Å; N119-S123 PolarHBondContact O-OG 3.18Å; E120-S123 PolarHBondContact O-N 3Å; E120-S123 PolarHBondContact O-OG 3.47Å; F121-S123 PolarHBondContact O-N 2.73Å |
| 124 | K | 84.5 | Confident | 88.3 | Confident | 148 Ų | 148 | 76.3 Ų | 76.3 | 64% | 0.643 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.2 | 178.7 | -71.5 | 179.3 | -174.7 | 171.8 | 0 | 113.7 | E120 F121 L122 | E120-K124 HydrophobicContact CG-CD 4.48Å; E120-K124 WeakPolarHBondContact O-CG 3.37Å; E120-K124 PolarHBondContact O-N 3.06Å; E120-K124 WeakPolarHBondContact OE1-CE 3.36Å; E120-K124 IonicContact OE1-NZ 3.8Å; E120-K124 PolarHBondContact OE1-NZ 3.11Å; F121-K124 PolarHBondContact O-N 3.28Å; L122-K124 VanDerWaalsContact C-N 3.3Å; L122-K124 PolarHBondContact O-N 3.2Å |
| 125 | R | 82.7 | Confident | 88.8 | Confident | 135 Ų | 135 | 67.6 Ų | 67.6 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -66 | 138.5 | 179.1 | -73.4 | -172.1 | 172.6 | -166.8 | -4.8 | 110.6 | L122 R127 | L122-R125 PolarHBondContact O-N 3.22Å; R125-R127 PolarHBondContact O-N 3.42Å |
| 126 | P | 84.4 | Confident | 89.2 | Confident | 129 Ų | 129 | 63.6 Ų | 63.6 | 84% | 0.838 | 34% | 0.335 | S | S | * | . | trans | -55.1 | 133.2 | 171.4 | -24.2 | 33.6 | 0 | 0 | 0 | 110.6 | ||||
| 127 | R | 88 | Confident | 89.5 | Confident | 109 Ų | 109 | 61.2 Ų | 61.2 | 41% | 0.411 | 31% | 0.314 | S | S | . | . | trans | -123.4 | 145.9 | 178.4 | -68.2 | 179.3 | 59.7 | 82.3 | 10.7 | 109.7 | Q107 K108 R125 | Q107-R127 PolarHBondContact O-NH2 2.66Å; Q107-R127 VanDerWaalsContact OE1-CA 3.29Å; K108-R127 VanDerWaalsContact C-NH2 3.35Å; K108-R127 VanDerWaalsContact O-CZ 3.26Å; K108-R127 PolarHBondContact O-NH1 2.95Å; K108-R127 PolarHBondContact O-NH2 3.29Å; R125-R127 PolarHBondContact O-N 3.42Å | ||
| 128 | T | 89.7 | Confident | 89.9 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | trans | -96.5 | 138.6 | 173.2 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | Q107 C130 W131 D134 W135 | Q107-T128 HydrophobicContact CB-CG2 3.81Å; T128-C130 VanDerWaalsContact C-N 3.31Å; T128-C130 PolarHBondContact OG1-N 3.44Å; T128-C130 PolarHBondContact OG1-O 3.38Å; T128-W131 HydrophobicContact CG2-CB 4Å; T128-W131 PolarHBondContact OG1-N 2.86Å; T128-D134 VanDerWaalsContact CB-OD2 3.31Å; T128-D134 WeakPolarHBondContact CB-OD2 3.39Å; T128-D134 VanDerWaalsContact OG1-CG 3.32Å; T128-D134 PolarHBondContact OG1-OD2 3.4Å; T128-W135 HydrophobicContact CG2-CD2 4.35Å; T128-W135 VanDerWaalsContact CG2-CE2 3.47Å; T128-W135 HydrophobicContact CG2-CH2 4.14Å; T128-W135 HydrophobicContact CG2-CZ2 3.35Å | ||
| 129 | S | 89.7 | Confident | 90.4 | Very high | 68 Ų | 68 | 63.4 Ų | 63.4 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -75.2 | -22.4 | 167.9 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | R106 | R106-S129 VanDerWaalsContact CB-O 3.3Å; R106-S129 WeakPolarHBondContact CB-O 3.35Å |
| 130 | C | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -148.4 | 95.7 | 179.2 | -171.6 | 0 | 0 | 0 | 0 | 112 | F47 W105 T128 V132 K133 D134 | F47-C130 HydrophobicContact CD1-CB 4.03Å; F47-C130 HydrophobicContact CE1-CB 3.34Å; F47-C130 HydrophobicContact CE2-CB 3.94Å; F47-C130 HydrophobicContact CZ-CB 3.27Å; W105-C130 VanDerWaalsContact O-CA 3.28Å; W105-C130 WeakPolarHBondContact O-CA 3.38Å; T128-C130 VanDerWaalsContact C-N 3.31Å; T128-C130 PolarHBondContact OG1-N 3.44Å; T128-C130 PolarHBondContact OG1-O 3.38Å; C130-V132 PolarHBondContact O-N 3.29Å; C130-K133 HydrophobicContact CB-CB 4.33Å; C130-K133 PolarHBondContact O-N 3.31Å; C130-K133 VanDerWaalsContact O-N 3.12Å; C130-D134 PolarHBondContact O-N 3.33Å | ||
| 131 | W | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -30.6 | -180 | 68.7 | -100.9 | 0 | 0 | 0 | 112.4 | F93 W105 T128 K133 D134 W135 L136 C334 P336 Y344 | F93-W131 HydrophobicContact CE1-CH2 4.13Å; W105-W131 HydrophobicContact CE3-CZ2 4.11Å; W105-W131 VanDerWaalsContact O-CD1 3.28Å; W105-W131 PolarHBondContact O-N 2.71Å; T128-W131 HydrophobicContact CG2-CB 4Å; T128-W131 PolarHBondContact OG1-N 2.86Å; W131-K133 VanDerWaalsContact C-N 3.29Å; W131-K133 PolarHBondContact O-N 2.67Å; W131-D134 PolarHBondContact O-N 2.94Å; W131-W135 HydrophobicContact CB-CD2 3.72Å; W131-W135 HydrophobicContact CB-CE3 3.47Å; W131-W135 VanDerWaalsContact CB-CE3 3.47Å; W131-W135 HydrophobicContact CB-CG 4.36Å; W131-W135 HydrophobicContact CB-CH2 4.21Å; W131-W135 HydrophobicContact CB-CZ2 4.46Å; W131-W135 HydrophobicContact CB-CZ3 3.74Å; W131-W135 HydrophobicContact CG-CE3 4.37Å; W131-W135 WeakPolarHBondContact O-CB 3.41Å; W131-W135 PolarHBondContact O-N 2.82Å; W131-L136 PolarHBondContact O-N 3.2Å; W131-C334 PolarHBondContact NE1-O 3.11Å; W131-P336 HydrophobicContact CB-CG 4.31Å; W131-P336 HydrophobicContact CD2-CG 3.86Å; W131-P336 HydrophobicContact CG-CG 3.74Å; W131-Y344 AromaticContact CE3-CD2 3.57Å; W131-Y344 HydrophobicContact CE3-CD2 3.57Å; W131-Y344 AromaticContact CE3-CE2 3.67Å; W131-Y344 HydrophobicContact CE3-CE2 3.67Å; W131-Y344 HydrophobicContact CH2-CD2 4.28Å; W131-Y344 AromaticContact CZ3-CD2 3.42Å; W131-Y344 HydrophobicContact CZ3-CD2 3.42Å; W131-Y344 VanDerWaalsContact CZ3-CD2 3.42Å; W131-Y344 AromaticContact CZ3-CE2 3.61Å; W131-Y344 HydrophobicContact CZ3-CE2 3.61Å |
| 132 | V | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 178.3 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | L77 F93 W105 C130 L136 P137 L146 | L77-V132 HydrophobicContact CD1-CB 4.21Å; L77-V132 HydrophobicContact CD1-CG1 3.63Å; F93-V132 HydrophobicContact CD1-CG1 4.15Å; F93-V132 HydrophobicContact CD1-CG2 3.74Å; F93-V132 HydrophobicContact CD2-CG1 3.73Å; F93-V132 HydrophobicContact CE1-CB 4.25Å; F93-V132 HydrophobicContact CE1-CG1 3.77Å; F93-V132 HydrophobicContact CE1-CG2 3.4Å; F93-V132 VanDerWaalsContact CE1-CG2 3.4Å; F93-V132 HydrophobicContact CE2-CG1 3.31Å; F93-V132 HydrophobicContact CG-CG1 4.14Å; F93-V132 HydrophobicContact CG-CG2 4.42Å; F93-V132 HydrophobicContact CZ-CB 4.24Å; F93-V132 HydrophobicContact CZ-CG1 3.35Å; F93-V132 HydrophobicContact CZ-CG2 3.86Å; W105-V132 HydrophobicContact CB-CG2 3.8Å; W105-V132 HydrophobicContact CD2-CG2 4.43Å; W105-V132 HydrophobicContact CE3-CG2 4.34Å; W105-V132 HydrophobicContact CG-CG2 4.24Å; C130-V132 PolarHBondContact O-N 3.29Å; V132-L136 WeakPolarHBondContact O-CB 3.4Å; V132-P137 WeakPolarHBondContact O-CD 3.43Å; V132-L146 HydrophobicContact CG1-CD1 3.96Å; V132-L146 WeakPolarHBondContact O-CD1 3.32Å |
| 133 | K | 94.2 | Very high | 92.2 | Very high | 50 Ų | 50 | 59.9 Ų | 59.9 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -78.6 | -41.3 | 178.5 | -177.6 | -171.9 | 150.2 | -58.7 | 0 | 111.6 | F47 L77 C130 W131 P137 | F47-K133 HydrophobicContact CE2-CD 3.89Å; L77-K133 HydrophobicContact CB-CB 4.47Å; L77-K133 WeakPolarHBondContact O-CG 3.36Å; C130-K133 HydrophobicContact CB-CB 4.33Å; C130-K133 PolarHBondContact O-N 3.31Å; C130-K133 VanDerWaalsContact O-N 3.12Å; W131-K133 VanDerWaalsContact C-N 3.29Å; W131-K133 PolarHBondContact O-N 2.67Å; K133-P137 WeakPolarHBondContact O-CD 3.15Å; K133-P137 WeakPolarHBondContact O-CG 3.12Å |
| 134 | D | 94.1 | Very high | 92.9 | Very high | 59 Ų | 59 | 56.5 Ų | 56.5 | 32% | 0.316 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -89.3 | -23.4 | -165.7 | -64.8 | -15.4 | 0 | 0 | 0 | 113.8 | T128 C130 W131 N138 | T128-D134 VanDerWaalsContact CB-OD2 3.31Å; T128-D134 WeakPolarHBondContact CB-OD2 3.39Å; T128-D134 VanDerWaalsContact OG1-CG 3.32Å; T128-D134 PolarHBondContact OG1-OD2 3.4Å; C130-D134 PolarHBondContact O-N 3.33Å; W131-D134 PolarHBondContact O-N 2.94Å; D134-N138 PolarHBondContact O-ND2 2.99Å |
| 135 | W | 96.8 | Very high | 93.5 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -51.3 | -178.1 | -53 | -18.8 | 0 | 0 | 0 | 112 | Q107 T128 W131 N138 D139 P336 P339 Y344 | Q107-W135 HydrophobicContact CB-CH2 4.18Å; Q107-W135 HydrophobicContact CB-CZ2 4.47Å; Q107-W135 HydrophobicContact CG-CH2 3.78Å; Q107-W135 HydrophobicContact CG-CZ2 4.2Å; T128-W135 HydrophobicContact CG2-CD2 4.35Å; T128-W135 VanDerWaalsContact CG2-CE2 3.47Å; T128-W135 HydrophobicContact CG2-CH2 4.14Å; T128-W135 HydrophobicContact CG2-CZ2 3.35Å; W131-W135 HydrophobicContact CB-CD2 3.72Å; W131-W135 HydrophobicContact CB-CE3 3.47Å; W131-W135 VanDerWaalsContact CB-CE3 3.47Å; W131-W135 HydrophobicContact CB-CG 4.36Å; W131-W135 HydrophobicContact CB-CH2 4.21Å; W131-W135 HydrophobicContact CB-CZ2 4.46Å; W131-W135 HydrophobicContact CB-CZ3 3.74Å; W131-W135 HydrophobicContact CG-CE3 4.37Å; W131-W135 WeakPolarHBondContact O-CB 3.41Å; W131-W135 PolarHBondContact O-N 2.82Å; W135-N138 WeakPolarHBondContact O-CB 3.39Å; W135-N138 PolarHBondContact O-N 3.4Å; W135-D139 PolarHBondContact O-N 3.28Å; W135-P336 HydrophobicContact CE3-CG 4.31Å; W135-P336 HydrophobicContact CZ3-CB 4.02Å; W135-P336 HydrophobicContact CZ3-CG 3.67Å; W135-P339 HydrophobicContact CD2-CB 4.46Å; W135-P339 HydrophobicContact CD2-CG 3.72Å; W135-P339 HydrophobicContact CE3-CB 4.4Å; W135-P339 HydrophobicContact CE3-CG 3.98Å; W135-P339 HydrophobicContact CG-CG 4.1Å; W135-P339 HydrophobicContact CH2-CG 4.42Å; W135-P339 HydrophobicContact CZ2-CG 4.15Å; W135-P339 HydrophobicContact CZ3-CG 4.32Å; W135-Y344 HydrophobicContact CB-CE1 3.95Å; W135-Y344 HydrophobicContact CB-CE2 4.27Å; W135-Y344 VanDerWaalsContact CB-OH 3.25Å; W135-Y344 WeakPolarHBondContact CB-OH 3.41Å; W135-Y344 HydrophobicContact CE3-CD1 4.09Å; W135-Y344 HydrophobicContact CE3-CE1 4.03Å; W135-Y344 HydrophobicContact CE3-CG 4.48Å; W135-Y344 PolarHBondContact O-OH 2.83Å |
| 136 | L | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -56.9 | -46.1 | -167.8 | -177.6 | 62.8 | 0 | 0 | 0 | 114.5 | I91 F93 W131 V132 N138 D139 L140 L146 Y344 V348 | I91-L136 HydrophobicContact CD1-CD2 4.24Å; F93-L136 HydrophobicContact CE2-CD2 4.31Å; F93-L136 HydrophobicContact CZ-CD2 3.68Å; W131-L136 PolarHBondContact O-N 3.2Å; V132-L136 WeakPolarHBondContact O-CB 3.4Å; L136-N138 PolarHBondContact O-N 3.22Å; L136-D139 PolarHBondContact O-N 2.68Å; L136-L140 HydrophobicContact CD1-CD1 3.91Å; L136-L140 HydrophobicContact CD1-CD2 4.38Å; L136-L140 HydrophobicContact CD1-CG 4.07Å; L136-L140 HydrophobicContact CG-CD1 3.93Å; L136-L140 HydrophobicContact CG-CG 4.47Å; L136-L140 WeakPolarHBondContact O-CG 3.43Å; L136-L140 PolarHBondContact O-N 3.06Å; L136-L146 HydrophobicContact CD2-CD1 4.47Å; L136-L146 HydrophobicContact CD2-CD2 4.12Å; L136-Y344 VanDerWaalsContact CA-OH 3.28Å; L136-Y344 WeakPolarHBondContact CA-OH 3.49Å; L136-Y344 HydrophobicContact CB-CE2 4.25Å; L136-Y344 HydrophobicContact CD1-CE2 4.22Å; L136-Y344 PolarHBondContact N-OH 2.98Å; L136-Y344 VanDerWaalsContact N-OH 3.17Å; L136-V348 HydrophobicContact CD1-CG2 3.76Å |
| 137 | P | 95.5 | Very high | 94.9 | Very high | 25 Ų | 25 | 37.5 Ų | 37.5 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -60.8 | -28.8 | 179.7 | -23.9 | 34.2 | 0 | 0 | 0 | 113.9 | Q78 V132 K133 L146 | Q78-P137 HydrophobicContact CB-CG 4.32Å; Q78-P137 HydrophobicContact CG-CB 4.29Å; Q78-P137 HydrophobicContact CG-CG 3.88Å; V132-P137 WeakPolarHBondContact O-CD 3.43Å; K133-P137 WeakPolarHBondContact O-CD 3.15Å; K133-P137 WeakPolarHBondContact O-CG 3.12Å; P137-L146 HydrophobicContact CG-CD1 3.6Å |
| 138 | N | 95.6 | Very high | 95.3 | Very high | 126 Ų | 126 | 32.3 Ų | 32.3 | 67% | 0.674 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -80.2 | -24 | -175.2 | -62 | -39.5 | 0 | 0 | 0 | 112.4 | D134 W135 L136 | D134-N138 PolarHBondContact O-ND2 2.99Å; W135-N138 WeakPolarHBondContact O-CB 3.39Å; W135-N138 PolarHBondContact O-N 3.4Å; L136-N138 PolarHBondContact O-N 3.22Å |
| 139 | D | 97.1 | Very high | 95.5 | Very high | 63 Ų | 63 | 31.7 Ų | 31.7 | 34% | 0.337 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -98.4 | 1.9 | -178.1 | -64.9 | -35.4 | 0 | 0 | 0 | 113 | W135 L136 Y344 R345 V348 | W135-D139 PolarHBondContact O-N 3.28Å; L136-D139 PolarHBondContact O-N 2.68Å; D139-Y344 WeakPolarHBondContact OD2-CE1 3.49Å; D139-Y344 PolarHBondContact OD2-OH 3.24Å; D139-R345 IonicContact OD2-CZ 3.73Å; D139-R345 IonicContact OD2-NH1 3.24Å; D139-R345 IonicContact OD2-NH2 3.75Å; D139-R345 PolarHBondContact OD2-NH2 2.83Å; D139-V348 HydrophobicContact CB-CG1 3.94Å; D139-V348 HydrophobicContact CB-CG2 4.24Å; D139-V348 WeakPolarHBondContact O-CG1 3.24Å |
| 140 | L | 96.7 | Very high | 95.5 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -102.5 | 136.7 | 176.2 | -67.1 | 175.9 | 0 | 0 | 0 | 110.7 | I91 L136 Y142 V144 V348 I351 | I91-L140 HydrophobicContact CD1-CD1 3.91Å; L136-L140 HydrophobicContact CD1-CD1 3.91Å; L136-L140 HydrophobicContact CD1-CD2 4.38Å; L136-L140 HydrophobicContact CD1-CG 4.07Å; L136-L140 HydrophobicContact CG-CD1 3.93Å; L136-L140 HydrophobicContact CG-CG 4.47Å; L136-L140 WeakPolarHBondContact O-CG 3.43Å; L136-L140 PolarHBondContact O-N 3.06Å; L140-Y142 PolarHBondContact O-N 2.81Å; L140-V144 HydrophobicContact CD1-CG1 4.09Å; L140-V144 HydrophobicContact CD1-CG2 3.67Å; L140-V348 HydrophobicContact CD2-CG1 4.42Å; L140-I351 HydrophobicContact CD1-CG2 4.08Å; L140-I351 HydrophobicContact CD2-CB 4.13Å; L140-I351 HydrophobicContact CD2-CG2 3.64Å |
| 141 | A | 94.3 | Very high | 95.2 | Very high | 77 Ų | 77 | 30.1 Ų | 30.1 | 64% | 0.636 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -69.6 | -14.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 142 | Y | 93.1 | Very high | 94.1 | Very high | 65 Ų | 65 | 35.2 Ų | 35.2 | 26% | 0.255 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -125.8 | 145 | -175.8 | -52.6 | -67 | 0 | 0 | 0 | 111.3 | A88 L140 V144 L355 E356 K359 | A88-Y142 HydrophobicContact CB-CG 4.32Å; L140-Y142 PolarHBondContact O-N 2.81Å; Y142-V144 PolarHBondContact O-N 2.94Å; Y142-L355 HydrophobicContact CD2-CB 4.04Å; Y142-L355 HydrophobicContact CD2-CD1 4.26Å; Y142-L355 HydrophobicContact CE2-CB 4.23Å; Y142-E356 HydrophobicContact CE2-CG 4.21Å; Y142-K359 HydrophobicContact CD1-CD 4.35Å; Y142-K359 HydrophobicContact CE1-CD 3.9Å; Y142-K359 HydrophobicContact CE2-CD 4.28Å |
| 143 | P | 95.3 | Very high | 92.6 | Very high | 63 Ų | 63 | 35.7 Ų | 35.7 | 41% | 0.409 | 20% | 0.195 | S | C | . | . | trans | -62.9 | 128.9 | 172 | 27.3 | -34 | 0 | 0 | 0 | 109.8 | Y87 A88 | Y87-P143 CarbonylContact C-O 3.54Å; Y87-P143 WeakPolarHBondContact CA-O 3.39Å; Y87-P143 HydrophobicContact CD1-CB 4.2Å; A88-P143 PolarHBondContact N-O 2.86Å | ||
| 144 | V | 97 | Very high | 90.9 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | trans | -124.2 | 150.1 | 178.2 | -68.1 | 0 | 0 | 0 | 0 | 110.6 | Y87 I91 L140 Y142 L146 L355 | Y87-V144 WeakPolarHBondContact CD1-O 3.3Å; I91-V144 HydrophobicContact CD1-CB 4.01Å; I91-V144 HydrophobicContact CD1-CG1 4.06Å; I91-V144 HydrophobicContact CD1-CG2 3.93Å; I91-V144 HydrophobicContact CG1-CB 4.38Å; L140-V144 HydrophobicContact CD1-CG1 4.09Å; L140-V144 HydrophobicContact CD1-CG2 3.67Å; Y142-V144 PolarHBondContact O-N 2.94Å; V144-L146 HydrophobicContact CB-CD2 4.41Å; V144-L146 HydrophobicContact CG2-CD2 3.7Å; V144-L146 HydrophobicContact CG2-CG 4.3Å; V144-L355 HydrophobicContact CG1-CD1 4.09Å | ||
| 145 | R | 97.4 | Very high | 89 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122.7 | 171.7 | -170.8 | 172.6 | 64.6 | 154.9 | 2.2 | 108.4 | L76 Q78 Y87 A89 D90 I91 L147 A185 G186 R190 | L76-R145 HydrophobicContact CD1-CG 3.57Å; Q78-R145 WeakPolarHBondContact O-CA 3.46Å; Y87-R145 HydrophobicContact CD1-CB 4.17Å; Y87-R145 HydrophobicContact CD2-CB 4.33Å; Y87-R145 HydrophobicContact CG-CB 3.97Å; A89-R145 PolarHBondContact O-N 3.16Å; D90-R145 CarbonylContact C-O 3.48Å; D90-R145 WeakPolarHBondContact CA-O 3.23Å; D90-R145 WeakPolarHBondContact OD1-CB 3.43Å; D90-R145 IonicContact OD1-CZ 3.33Å; D90-R145 VanDerWaalsContact OD1-CZ 3.24Å; D90-R145 IonicContact OD1-NE 3.16Å; D90-R145 PolarHBondContact OD1-NE 3.01Å; D90-R145 IonicContact OD1-NH2 2.86Å; D90-R145 PolarHBondContact OD1-NH2 3.01Å; D90-R145 IonicContact OD2-CZ 2.66Å; D90-R145 IonicContact OD2-NE 3.82Å; D90-R145 IonicContact OD2-NH2 3.51Å; D90-R145 PolarHBondContact OD2-NH2 2.91Å; I91-R145 PolarHBondContact N-O 2.76Å; R145-L147 HydrophobicContact CG-CD1 3.93Å; R145-A185 PolarHBondContact NH1-O 2.65Å; R145-A185 PolarHBondContact NH2-O 2.98Å; R145-G186 VanDerWaalsContact NH2-C 3.31Å; R145-G186 PolarHBondContact NH2-O 3.4Å; R145-G186 VanDerWaalsContact NH2-O 3.11Å; R145-R190 VanDerWaalsContact CZ-NH1 3.32Å |
| 146 | L | 97.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.9 | -179.2 | -54.8 | -175.1 | 0 | 0 | 0 | 109.5 | L77 Q78 I91 F93 V132 L136 P137 V144 | L77-L146 HydrophobicContact CB-CB 3.96Å; L77-L146 PolarHBondContact N-O 2.82Å; Q78-L146 HydrophobicContact CB-CB 3.85Å; Q78-L146 HydrophobicContact CB-CD1 3.88Å; Q78-L146 HydrophobicContact CB-CG 3.78Å; Q78-L146 HydrophobicContact CG-CG 4.44Å; Q78-L146 PolarHBondContact N-O 3.4Å; Q78-L146 PolarHBondContact O-N 2.96Å; I91-L146 HydrophobicContact CB-CD2 3.68Å; I91-L146 HydrophobicContact CD1-CD2 3.72Å; I91-L146 HydrophobicContact CG1-CD2 4.03Å; I91-L146 HydrophobicContact CG2-CD2 4.47Å; F93-L146 HydrophobicContact CE2-CD2 4.25Å; V132-L146 HydrophobicContact CG1-CD1 3.96Å; V132-L146 WeakPolarHBondContact O-CD1 3.32Å; L136-L146 HydrophobicContact CD2-CD1 4.47Å; L136-L146 HydrophobicContact CD2-CD2 4.12Å; P137-L146 HydrophobicContact CG-CD1 3.6Å; V144-L146 HydrophobicContact CB-CD2 4.41Å; V144-L146 HydrophobicContact CG2-CD2 3.7Å; V144-L146 HydrophobicContact CG2-CG 4.3Å |
| 147 | L | 97.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.3 | 174.4 | -60.5 | 93.7 | 0 | 0 | 0 | 109.9 | F70 V74 Y75 L76 D90 I91 V92 F93 R145 A185 V187 | F70-L147 HydrophobicContact CD1-CD2 4.37Å; F70-L147 HydrophobicContact CE1-CD2 3.91Å; V74-L147 HydrophobicContact CG1-CD2 4.07Å; Y75-L147 CarbonylContact O-C 2.97Å; Y75-L147 VanDerWaalsContact O-CA 3.25Å; Y75-L147 WeakPolarHBondContact O-CA 3.32Å; L76-L147 HydrophobicContact CD1-CG 4.3Å; D90-L147 HydrophobicContact CB-CD1 4.21Å; I91-L147 PolarHBondContact O-N 3.49Å; V92-L147 CarbonylContact C-O 3.55Å; V92-L147 WeakPolarHBondContact CA-O 3.46Å; V92-L147 HydrophobicContact CG1-CB 4.45Å; V92-L147 HydrophobicContact CG2-CB 4.47Å; V92-L147 HydrophobicContact CG2-CD1 4.37Å; F93-L147 WeakPolarHBondContact CD2-O 3.48Å; F93-L147 PolarHBondContact N-O 3.31Å; R145-L147 HydrophobicContact CG-CD1 3.93Å; L147-A185 HydrophobicContact CD2-CB 4.14Å; L147-V187 HydrophobicContact CD1-CG2 4.2Å; L147-V187 HydrophobicContact CD2-CG2 3.83Å |
| 148 | A | 96.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y75 L77 F93 V101 | Y75-A148 PolarHBondContact N-O 2.84Å; Y75-A148 PolarHBondContact O-N 3.46Å; L77-A148 HydrophobicContact CD1-CB 3.69Å; L77-A148 HydrophobicContact CD2-CB 4.16Å; L77-A148 HydrophobicContact CG-CB 3.91Å; F93-A148 HydrophobicContact CB-CB 4Å; F93-A148 WeakPolarHBondContact O-CA 3.47Å; V101-A148 HydrophobicContact CB-CB 4.2Å; V101-A148 HydrophobicContact CG1-CB 3.57Å; V101-A148 HydrophobicContact CG2-CB 3.52Å |
| 149 | V | 94.7 | Very high | 80.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123 | -173.7 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | G73 V92 F93 L94 H95 Y151 L178 L182 | G73-V149 CarbonylContact O-C 3.59Å; G73-V149 VanDerWaalsContact O-CA 3.27Å; G73-V149 WeakPolarHBondContact O-CA 3.04Å; V92-V149 HydrophobicContact CG1-CG2 4.05Å; F93-V149 PolarHBondContact O-N 3.48Å; L94-V149 HydrophobicContact CG-CB 4.35Å; H95-V149 PolarHBondContact CD2-O 3.15Å; V149-Y151 HydrophobicContact CG1-CD1 4.24Å; V149-L178 HydrophobicContact CG1-CD1 3.99Å; V149-L178 HydrophobicContact CG1-CD2 3.3Å; V149-L178 HydrophobicContact CG1-CG 4.24Å; V149-L182 HydrophobicContact CG2-CD2 3.84Å |
| 150 | D | 89.7 | Confident | 78.1 | Confident | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.08 | 22% | 0.222 | C | C | . | . | trans | -91.6 | 138.1 | 160.7 | -86.3 | -23 | 0 | 0 | 0 | 110.4 | G73 Y75 H95 R100 V101 | G73-D150 PolarHBondContact O-N 2.6Å; Y75-D150 HydrophobicContact CE2-CB 3.86Å; Y75-D150 VanDerWaalsContact CE2-OD2 3.26Å; Y75-D150 WeakPolarHBondContact CE2-OD2 3.46Å; Y75-D150 PolarHBondContact OH-OD2 3.21Å; H95-D150 IonicContact CD2-OD1 3.17Å; H95-D150 PolarHBondContact CD2-OD1 3.46Å; H95-D150 WeakPolarHBondContact NE2-CA 3.27Å; H95-D150 IonicContact NE2-OD1 2.72Å; H95-D150 PolarHBondContact NE2-OD1 3.49Å; R100-D150 WeakPolarHBondContact CA-OD1 3.15Å; R100-D150 IonicContact NE-OD2 2.67Å; R100-D150 IonicContact NH2-OD2 2.87Å; V101-D150 HydrophobicContact CG2-CB 4.49Å; V101-D150 WeakPolarHBondContact CG2-OD1 3.48Å; V101-D150 PolarHBondContact N-OD1 2.91Å | ||
| 151 | Y | 86.3 | Confident | 75.7 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 8% | 0.082 | 26% | 0.262 | C | S | . | . | trans | -147.7 | 148.7 | 169.7 | 58 | -95.5 | 0 | 0 | 0 | 109.1 | H95 V149 S153 L178 M199 I203 | H95-Y151 AromaticContact CE1-CD1 3.9Å; H95-Y151 AromaticContact CE1-CD2 3.93Å; H95-Y151 AromaticContact CE1-CE1 3.72Å; H95-Y151 AromaticContact CE1-CE2 3.76Å; H95-Y151 AromaticContact CE1-CZ 3.65Å; H95-Y151 PolarHBondContact CE1-O 3.03Å; H95-Y151 VanDerWaalsContact CE1-O 3.23Å; H95-Y151 AromaticContact ND1-CE1 3.93Å; H95-Y151 AromaticContact ND1-CZ 3.74Å; H95-Y151 AromaticContact NE2-CD1 3.83Å; H95-Y151 AromaticContact NE2-CE1 3.93Å; H95-Y151 PolarHBondContact NE2-N 3.38Å; H95-Y151 PolarHBondContact NE2-O 3.2Å; H95-Y151 PolarHBondContact O-OH 3.23Å; V149-Y151 HydrophobicContact CG1-CD1 4.24Å; Y151-S153 PolarHBondContact O-N 2.91Å; Y151-L178 HydrophobicContact CD1-CD1 4.14Å; Y151-M199 HydrophobicContact CE2-CE 3.6Å; Y151-I203 HydrophobicContact CD1-CD1 4.44Å; Y151-I203 HydrophobicContact CD2-CD1 4.16Å; Y151-I203 HydrophobicContact CE1-CD1 3.83Å; Y151-I203 HydrophobicContact CE2-CD1 3.48Å; Y151-I203 VanDerWaalsContact CE2-CD1 3.48Å; Y151-I203 WeakPolarHBondContact OH-CD1 3.26Å | ||
| 152 | D | 72.9 | Confident | 73.7 | Confident | 107 Ų | 107 | 49.7 Ų | 49.7 | 57% | 0.572 | 24% | 0.244 | S | C | * | . | trans | -65.2 | 128.1 | 179.9 | -70.5 | -35.2 | 0 | 0 | 0 | 110.6 | F154 R174 | D152-F154 HydrophobicContact CB-CE2 3.76Å; D152-F154 HydrophobicContact CB-CZ 4.09Å; D152-R174 PolarHBondContact O-NH2 3.11Å | ||
| 153 | S | 64.9 | Low | 71.7 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | trans | -146.7 | 129.5 | 178.9 | 68.1 | 0 | 0 | 0 | 0 | 110.6 | G96 R98 Y151 E261 | G96-S153 PolarHBondContact O-OG 3.3Å; R98-S153 PolarHBondContact N-OG 2.92Å; Y151-S153 PolarHBondContact O-N 2.91Å; S153-E261 WeakPolarHBondContact CA-OE2 3.47Å | ||
| 154 | F | 58.2 | Low | 69.6 | Low | 62 Ų | 62 | 52.9 Ų | 52.9 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | trans | -131.6 | 141.1 | -170.6 | -55.1 | -83.3 | 0 | 0 | 0 | 111.3 | L97 D152 S159 F160 S259 E261 | L97-F154 VanDerWaalsContact CD1-O 3.31Å; L97-F154 WeakPolarHBondContact CD1-O 3.26Å; D152-F154 HydrophobicContact CB-CE2 3.76Å; D152-F154 HydrophobicContact CB-CZ 4.09Å; F154-S159 WeakPolarHBondContact CD1-OG 3.24Å; F154-F160 HydrophobicContact CB-CE2 4.47Å; F154-F160 HydrophobicContact CD2-CE1 4.28Å; F154-F160 AromaticContact CD2-CE2 3.56Å; F154-F160 HydrophobicContact CD2-CE2 3.56Å; F154-F160 AromaticContact CD2-CZ 3.28Å; F154-F160 HydrophobicContact CD2-CZ 3.28Å; F154-F160 AromaticContact CE2-CE1 3.94Å; F154-F160 HydrophobicContact CE2-CE1 3.94Å; F154-F160 HydrophobicContact CE2-CE2 4.06Å; F154-F160 AromaticContact CE2-CZ 3.35Å; F154-F160 HydrophobicContact CE2-CZ 3.35Å; F154-F160 HydrophobicContact CG-CE2 4.23Å; F154-F160 HydrophobicContact CG-CZ 4.32Å; F154-F160 HydrophobicContact CZ-CZ 4.46Å; F154-S259 WeakPolarHBondContact O-CB 3.17Å; F154-S259 PolarHBondContact O-OG 3.11Å; F154-E261 PolarHBondContact N-OE2 2.92Å | ||
| 155 | L | 53.7 | Low | 67.5 | Low | 62 Ų | 62 | 54.7 Ų | 54.7 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -75.8 | -27 | 174.1 | -88.4 | 176.6 | 0 | 0 | 0 | 113.1 | L97 R98 S259 V262 | L97-L155 HydrophobicContact CD2-CD2 3.4Å; L97-L155 VanDerWaalsContact CD2-CD2 3.4Å; L97-L155 HydrophobicContact CD2-CG 4.08Å; L97-L155 HydrophobicContact CG-CD2 4.15Å; L97-L155 HydrophobicContact CG-CG 4.33Å; R98-L155 VanDerWaalsContact CD-CG 3.42Å; R98-L155 HydrophobicContact CG-CB 4.47Å; R98-L155 HydrophobicContact CG-CD1 4.26Å; R98-L155 HydrophobicContact CG-CG 3.93Å; L155-S259 PolarHBondContact O-N 3.48Å; L155-S259 VanDerWaalsContact O-N 3.14Å; L155-V262 HydrophobicContact CD2-CG2 4.07Å |
| 156 | S | 51.7 | Low | 65.3 | Low | 42 Ų | 42 | 57.4 Ų | 57.4 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -139.8 | 138.3 | -173.3 | 57.2 | 0 | 0 | 0 | 0 | 109.7 | W158 S159 L257 | S156-W158 PolarHBondContact O-N 3.31Å; S156-S159 PolarHBondContact O-OG 3.37Å; S156-L257 WeakPolarHBondContact CA-O 3.39Å |
| 157 | D | 55.1 | Low | 63.1 | Low | 19 Ų | 19 | 63.3 Ų | 63.3 | 10% | 0.102 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -76.5 | -0.1 | -177.6 | -76.6 | -17.9 | 0 | 0 | 0 | 114.2 | S159 F160 Y166 L257 S259 V260 | D157-S159 PolarHBondContact O-N 2.75Å; D157-F160 HydrophobicContact CB-CD2 4.23Å; D157-F160 PolarHBondContact O-N 3.42Å; D157-Y166 HydrophobicContact CB-CE1 3.83Å; D157-L257 PolarHBondContact N-O 3.45Å; D157-S259 VanDerWaalsContact CG-CA 3.42Å; D157-S259 VanDerWaalsContact OD1-CA 3.23Å; D157-S259 WeakPolarHBondContact OD1-CA 3.23Å; D157-S259 WeakPolarHBondContact OD1-CB 3.47Å; D157-S259 WeakPolarHBondContact OD2-CA 3.11Å; D157-V260 PolarHBondContact OD2-N 3.39Å; D157-V260 VanDerWaalsContact OD2-N 3.14Å |
| 158 | W | 47.3 | Very low | 61 | Low | 199 Ų | 199 | 72.7 Ų | 72.7 | 75% | 0.754 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -55.1 | -19.7 | 176.9 | -81.3 | 70.6 | 0 | 0 | 0 | 114.1 | S156 | S156-W158 PolarHBondContact O-N 3.31Š|
| 159 | S | 49.1 | Very low | 59.3 | Low | 67 Ų | 67 | 73.6 Ų | 73.6 | 47% | 0.469 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -82.9 | -9.2 | 175.8 | 37.7 | 0 | 0 | 0 | 0 | 114.7 | F154 S156 D157 | F154-S159 WeakPolarHBondContact CD1-OG 3.24Å; S156-S159 PolarHBondContact O-OG 3.37Å; D157-S159 PolarHBondContact O-N 2.75Å |
| 160 | F | 50.4 | Low | 58.3 | Low | 43 Ų | 43 | 74.7 Ų | 74.7 | 19% | 0.189 | 38% | 0.378 | C | S | . | . | trans | -93.4 | 116.9 | -179.5 | -69.4 | -73.1 | 0 | 0 | 0 | 112.1 | F154 D157 C162 C165 Y166 C169 | F154-F160 HydrophobicContact CB-CE2 4.47Å; F154-F160 HydrophobicContact CD2-CE1 4.28Å; F154-F160 AromaticContact CD2-CE2 3.56Å; F154-F160 HydrophobicContact CD2-CE2 3.56Å; F154-F160 AromaticContact CD2-CZ 3.28Å; F154-F160 HydrophobicContact CD2-CZ 3.28Å; F154-F160 AromaticContact CE2-CE1 3.94Å; F154-F160 HydrophobicContact CE2-CE1 3.94Å; F154-F160 HydrophobicContact CE2-CE2 4.06Å; F154-F160 AromaticContact CE2-CZ 3.35Å; F154-F160 HydrophobicContact CE2-CZ 3.35Å; F154-F160 HydrophobicContact CG-CE2 4.23Å; F154-F160 HydrophobicContact CG-CZ 4.32Å; F154-F160 HydrophobicContact CZ-CZ 4.46Å; D157-F160 HydrophobicContact CB-CD2 4.23Å; D157-F160 PolarHBondContact O-N 3.42Å; F160-C162 VanDerWaalsContact C-N 3.3Å; F160-C165 HydrophobicContact CD1-CB 4.41Å; F160-Y166 HydrophobicContact CB-CE1 4.03Å; F160-Y166 HydrophobicContact CD2-CE1 4.03Å; F160-Y166 HydrophobicContact CG-CE1 4.23Å; F160-C169 WeakPolarHBondContact CE1-SG 3.31Å; F160-C169 HydrophobicContact CZ-CB 4.17Å; F160-C169 WeakPolarHBondContact CZ-SG 3.37Å | ||
| 161 | K | 47.2 | Very low | 58 | Low | 213 Ų | 213 | 74 Ų | 74 | 93% | 0.926 | 38% | 0.375 | S | S | * | . | trans | -83.9 | -3 | 169.2 | -68.8 | -175.2 | 177.3 | -179.3 | 0 | 113.4 | ||||
| 162 | C | 51.5 | Low | 58.2 | Low | 37 Ų | 37 | 74.6 Ų | 74.6 | 25% | 0.25 | 38% | 0.38 | C | S | . | . | trans | -133.6 | 113.5 | -164.2 | 158.6 | 0 | 0 | 0 | 0 | 111.5 | F160 S164 C165 | F160-C162 VanDerWaalsContact C-N 3.3Å; C162-S164 PolarHBondContact SG-OG 2.89Å; C162-C165 HydrophobicContact CB-CB 3.93Å; C162-C165 WeakPolarHBondContact CB-SG 3.27Å; C162-C165 VanDerWaalsContact O-CB 3.3Å; C162-C165 WeakPolarHBondContact O-CB 3.44Å; C162-C165 PolarHBondContact O-N 2.85Å; C162-C165 WeakPolarHBondContact SG-CB 3.19Å; C162-C165 PolarHBondContact SG-N 3.46Å; C162-C165 CovalentContact SG-SG 2.07Å; C162-C165 PolarHBondContact SG-SG 3.39Å | ||
| 163 | P | 50.7 | Low | 58.9 | Low | 99 Ų | 99 | 71.5 Ų | 71.5 | 64% | 0.643 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -35 | 178.4 | -24.2 | 34.4 | 0 | 0 | 0 | 115.2 | C165 Y166 | P163-C165 PolarHBondContact O-N 3.43Å; P163-C165 VanDerWaalsContact O-N 3.16Å; P163-Y166 VanDerWaalsContact CA-CD2 3.42Å; P163-Y166 HydrophobicContact CB-CD2 4.19Å; P163-Y166 HydrophobicContact CB-CE2 4.16Å; P163-Y166 WeakPolarHBondContact O-CB 3.24Å; P163-Y166 WeakPolarHBondContact O-CD2 3.3Å; P163-Y166 PolarHBondContact O-N 2.95Å |
| 164 | S | 51 | Low | 60 | Low | 97 Ų | 97 | 71.6 Ų | 71.6 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -13.6 | 178.5 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | C162 Y166 | C162-S164 PolarHBondContact SG-OG 2.89Å; S164-Y166 VanDerWaalsContact C-N 3.33Å |
| 165 | C | 54.2 | Low | 61.7 | Low | 42 Ų | 42 | 68.7 Ų | 68.7 | 28% | 0.284 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -79.4 | -18.3 | 178 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | F160 C162 P163 D167 R168 C169 | F160-C165 HydrophobicContact CD1-CB 4.41Å; C162-C165 HydrophobicContact CB-CB 3.93Å; C162-C165 WeakPolarHBondContact CB-SG 3.27Å; C162-C165 VanDerWaalsContact O-CB 3.3Å; C162-C165 WeakPolarHBondContact O-CB 3.44Å; C162-C165 PolarHBondContact O-N 2.85Å; C162-C165 WeakPolarHBondContact SG-CB 3.19Å; C162-C165 PolarHBondContact SG-N 3.46Å; C162-C165 CovalentContact SG-SG 2.07Å; C162-C165 PolarHBondContact SG-SG 3.39Å; P163-C165 PolarHBondContact O-N 3.43Å; P163-C165 VanDerWaalsContact O-N 3.16Å; C165-D167 PolarHBondContact O-N 3.5Å; C165-R168 PolarHBondContact O-N 2.89Å; C165-C169 PolarHBondContact O-N 3.27Å; C165-C169 PolarHBondContact O-SG 3.17Å |
| 166 | Y | 51.1 | Low | 63.5 | Low | 70 Ų | 70 | 73 Ų | 73 | 28% | 0.275 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | -176.8 | -75.2 | -58.5 | 0 | 0 | 0 | 112.7 | D157 F160 P163 S164 R168 C169 V260 | D157-Y166 HydrophobicContact CB-CE1 3.83Å; F160-Y166 HydrophobicContact CB-CE1 4.03Å; F160-Y166 HydrophobicContact CD2-CE1 4.03Å; F160-Y166 HydrophobicContact CG-CE1 4.23Å; P163-Y166 VanDerWaalsContact CA-CD2 3.42Å; P163-Y166 HydrophobicContact CB-CD2 4.19Å; P163-Y166 HydrophobicContact CB-CE2 4.16Å; P163-Y166 WeakPolarHBondContact O-CB 3.24Å; P163-Y166 WeakPolarHBondContact O-CD2 3.3Å; P163-Y166 PolarHBondContact O-N 2.95Å; S164-Y166 VanDerWaalsContact C-N 3.33Å; Y166-R168 PolarHBondContact O-N 2.93Å; Y166-C169 PolarHBondContact O-N 2.97Å; Y166-V260 HydrophobicContact CD1-CG2 3.94Å; Y166-V260 HydrophobicContact CG-CG2 4.48Å |
| 167 | D | 51.3 | Low | 65.5 | Low | 125 Ų | 125 | 75.6 Ų | 75.6 | 67% | 0.668 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64 | -43.4 | -179.1 | -72 | -20.9 | 0 | 0 | 0 | 111.1 | C165 C169 T170 P173 | C165-D167 PolarHBondContact O-N 3.5Å; D167-C169 PolarHBondContact O-N 3.1Å; D167-C169 VanDerWaalsContact O-N 3.16Å; D167-T170 WeakPolarHBondContact O-CB 3.47Å; D167-T170 PolarHBondContact O-N 2.9Å; D167-T170 VanDerWaalsContact O-N 3.08Å; D167-T170 PolarHBondContact O-OG1 3.44Å; D167-P173 WeakPolarHBondContact O-CG 2.99Å |
| 168 | R | 54.2 | Low | 67.4 | Low | 196 Ų | 196 | 74.9 Ų | 74.9 | 74% | 0.74 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.5 | -21.1 | 179.1 | -66.6 | -172.2 | 178.9 | -170.5 | -0.2 | 113.4 | C165 Y166 T170 | C165-R168 PolarHBondContact O-N 2.89Å; Y166-R168 PolarHBondContact O-N 2.93Å; R168-T170 VanDerWaalsContact C-N 3.3Å |
| 169 | C | 59.4 | Low | 69.7 | Low | 19 Ų | 19 | 65.6 Ų | 65.6 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 2.2 | 179.3 | -61 | 0 | 0 | 0 | 0 | 113.3 | F160 C165 Y166 D167 R174 E261 | F160-C169 WeakPolarHBondContact CE1-SG 3.31Å; F160-C169 HydrophobicContact CZ-CB 4.17Å; F160-C169 WeakPolarHBondContact CZ-SG 3.37Å; C165-C169 PolarHBondContact O-N 3.27Å; C165-C169 PolarHBondContact O-SG 3.17Å; Y166-C169 PolarHBondContact O-N 2.97Å; D167-C169 PolarHBondContact O-N 3.1Å; D167-C169 VanDerWaalsContact O-N 3.16Å; C169-R174 PolarHBondContact O-NH1 3.32Å; C169-R174 PolarHBondContact O-NH2 3.16Å; C169-E261 WeakPolarHBondContact O-CG 3.33Å |
| 170 | T | 74.5 | Confident | 72 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -83.6 | 163.5 | 177.1 | 64.9 | 0 | 0 | 0 | 0 | 112 | D167 R168 V172 P173 R174 V260 M264 | D167-T170 WeakPolarHBondContact O-CB 3.47Å; D167-T170 PolarHBondContact O-N 2.9Å; D167-T170 VanDerWaalsContact O-N 3.08Å; D167-T170 PolarHBondContact O-OG1 3.44Å; R168-T170 VanDerWaalsContact C-N 3.3Å; T170-V172 PolarHBondContact O-N 3.14Å; T170-P173 WeakPolarHBondContact O-CD 3.28Å; T170-P173 WeakPolarHBondContact OG1-CD 3.43Å; T170-P173 WeakPolarHBondContact OG1-CG 3.49Å; T170-R174 VanDerWaalsContact O-CB 3.26Å; T170-R174 WeakPolarHBondContact O-CB 3.18Å; T170-R174 PolarHBondContact O-N 3.29Å; T170-V260 HydrophobicContact CG2-CB 4.47Å; T170-V260 HydrophobicContact CG2-CG1 3.46Å; T170-V260 VanDerWaalsContact CG2-CG1 3.46Å; T170-M264 HydrophobicContact CG2-CE 4.1Å; T170-M264 HydrophobicContact CG2-SD 4.16Å |
| 171 | I | 84.2 | Confident | 74.1 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.1 | -34.6 | -175.6 | -66.9 | 169 | 0 | 0 | 0 | 111.4 | S175 L202 I203 E206 M264 Y271 | I171-S175 VanDerWaalsContact O-CB 3.29Å; I171-S175 WeakPolarHBondContact O-CB 3.33Å; I171-S175 PolarHBondContact O-N 3.43Å; I171-S175 PolarHBondContact O-OG 2.07Å; I171-L202 HydrophobicContact CD1-CB 4.24Å; I171-L202 HydrophobicContact CD1-CD1 4.31Å; I171-I203 HydrophobicContact CG2-CG1 4.15Å; I171-E206 HydrophobicContact CG2-CB 3.67Å; I171-E206 HydrophobicContact CG2-CG 3.98Å; I171-M264 HydrophobicContact CB-CE 4.34Å; I171-M264 HydrophobicContact CD1-CE 4.07Å; I171-M264 HydrophobicContact CG1-CE 3.77Å; I171-M264 HydrophobicContact CG1-SD 4.47Å; I171-Y271 HydrophobicContact CD1-CE1 4.46Å |
| 172 | V | 88.7 | Confident | 76.6 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.3 | -59.5 | -174.2 | -176.5 | 0 | 0 | 0 | 0 | 114.3 | T170 R174 S175 R176 E206 Y271 | T170-V172 PolarHBondContact O-N 3.14Å; V172-R174 PolarHBondContact O-N 3.18Å; V172-S175 PolarHBondContact O-N 3.24Å; V172-S175 PolarHBondContact O-OG 3.05Å; V172-R176 PolarHBondContact O-N 2.78Å; V172-E206 HydrophobicContact CB-CG 4.43Å; V172-E206 HydrophobicContact CG2-CG 4.12Å; V172-Y271 HydrophobicContact CG2-CE2 4.2Å |
| 173 | P | 88 | Confident | 78.7 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.5 | -32.6 | 177.1 | 22.4 | -27.7 | 0 | 0 | 0 | 111.6 | D167 T170 R176 E177 | D167-P173 WeakPolarHBondContact O-CG 2.99Å; T170-P173 WeakPolarHBondContact O-CD 3.28Å; T170-P173 WeakPolarHBondContact OG1-CD 3.43Å; T170-P173 WeakPolarHBondContact OG1-CG 3.49Å; P173-R176 PolarHBondContact O-N 3.08Å; P173-E177 WeakPolarHBondContact O-CB 3.33Å; P173-E177 PolarHBondContact O-N 3.12Å |
| 174 | R | 88.4 | Confident | 80.8 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 5% | 0.045 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 174.2 | -173.2 | -178.9 | -65.5 | 122.2 | -4.9 | 112.1 | D152 C169 T170 V172 R176 E177 L178 E261 | D152-R174 PolarHBondContact O-NH2 3.11Å; C169-R174 PolarHBondContact O-NH1 3.32Å; C169-R174 PolarHBondContact O-NH2 3.16Å; T170-R174 VanDerWaalsContact O-CB 3.26Å; T170-R174 WeakPolarHBondContact O-CB 3.18Å; T170-R174 PolarHBondContact O-N 3.29Å; V172-R174 PolarHBondContact O-N 3.18Å; R174-R176 VanDerWaalsContact C-N 3.28Å; R174-R176 PolarHBondContact O-N 3.32Å; R174-E177 PolarHBondContact O-N 2.96Å; R174-L178 HydrophobicContact CG-CD1 4.04Å; R174-L178 HydrophobicContact CG-CG 4.26Å; R174-L178 WeakPolarHBondContact O-CB 3.34Å; R174-L178 VanDerWaalsContact O-CG 3.26Å; R174-L178 WeakPolarHBondContact O-CG 3.35Å; R174-L178 PolarHBondContact O-N 3.17Å; R174-E261 IonicContact CZ-OE1 3.51Å; R174-E261 IonicContact NH1-OE1 3.36Å; R174-E261 PolarHBondContact NH1-OE1 3.22Å; R174-E261 IonicContact NH2-OE1 3.37Å; R174-E261 PolarHBondContact NH2-OE1 3.27Å |
| 175 | S | 93.1 | Very high | 83 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | 178.5 | 74.2 | 0 | 0 | 0 | 0 | 111.6 | I171 V172 A179 E206 | I171-S175 VanDerWaalsContact O-CB 3.29Å; I171-S175 WeakPolarHBondContact O-CB 3.33Å; I171-S175 PolarHBondContact O-N 3.43Å; I171-S175 PolarHBondContact O-OG 2.07Å; V172-S175 PolarHBondContact O-N 3.24Å; V172-S175 PolarHBondContact O-OG 3.05Å; S175-A179 WeakPolarHBondContact O-CB 3.48Å; S175-A179 PolarHBondContact O-N 2.89Å; S175-E206 VanDerWaalsContact OG-CG 3.3Å; S175-E206 WeakPolarHBondContact OG-CG 3.46Å |
| 176 | R | 93.1 | Very high | 85 | Confident | 153 Ų | 153 | 46 Ų | 46 | 58% | 0.577 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -65.4 | -47.6 | 174.7 | -70 | 178.5 | 175.6 | 158.5 | -1 | 112.4 | V172 P173 R174 L178 A179 S180 | V172-R176 PolarHBondContact O-N 2.78Å; P173-R176 PolarHBondContact O-N 3.08Å; R174-R176 VanDerWaalsContact C-N 3.28Å; R174-R176 PolarHBondContact O-N 3.32Å; R176-L178 VanDerWaalsContact C-N 3.32Å; R176-L178 PolarHBondContact O-N 3.48Å; R176-A179 WeakPolarHBondContact O-CB 3.28Å; R176-A179 PolarHBondContact O-N 2.86Å; R176-S180 PolarHBondContact O-N 2.91Å; R176-S180 VanDerWaalsContact O-N 3.1Å |
| 177 | E | 93 | Very high | 87.2 | Confident | 95 Ų | 95 | 42.8 Ų | 42.8 | 44% | 0.444 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59 | -46.2 | 176.8 | -174.2 | -170.1 | 151.8 | 0 | 0 | 110.9 | P173 R174 S180 K181 | P173-E177 WeakPolarHBondContact O-CB 3.33Å; P173-E177 PolarHBondContact O-N 3.12Å; R174-E177 PolarHBondContact O-N 2.96Å; E177-S180 PolarHBondContact O-N 2.66Å; E177-K181 HydrophobicContact CG-CD 4.2Å; E177-K181 WeakPolarHBondContact O-CG 3.23Å; E177-K181 PolarHBondContact O-N 2.59Å; E177-K181 WeakPolarHBondContact OE1-CE 3.45Å; E177-K181 IonicContact OE1-NZ 3.65Å; E177-K181 PolarHBondContact OE1-NZ 2.9Å |
| 178 | L | 95.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 178.2 | -70.5 | -178.3 | 0 | 0 | 0 | 112.3 | L94 V149 Y151 R174 R176 S180 K181 L182 I203 M207 | L94-L178 HydrophobicContact CD2-CD1 4.28Å; V149-L178 HydrophobicContact CG1-CD1 3.99Å; V149-L178 HydrophobicContact CG1-CD2 3.3Å; V149-L178 HydrophobicContact CG1-CG 4.24Å; Y151-L178 HydrophobicContact CD1-CD1 4.14Å; R174-L178 HydrophobicContact CG-CD1 4.04Å; R174-L178 HydrophobicContact CG-CG 4.26Å; R174-L178 WeakPolarHBondContact O-CB 3.34Å; R174-L178 VanDerWaalsContact O-CG 3.26Å; R174-L178 WeakPolarHBondContact O-CG 3.35Å; R174-L178 PolarHBondContact O-N 3.17Å; R176-L178 VanDerWaalsContact C-N 3.32Å; R176-L178 PolarHBondContact O-N 3.48Å; L178-S180 VanDerWaalsContact C-N 3.3Å; L178-S180 PolarHBondContact O-N 2.94Å; L178-K181 HydrophobicContact CD2-CD 4.47Å; L178-K181 PolarHBondContact O-N 3.12Å; L178-L182 VanDerWaalsContact O-CB 3.24Å; L178-L182 WeakPolarHBondContact O-CB 3.46Å; L178-L182 WeakPolarHBondContact O-CG 3.28Å; L178-L182 PolarHBondContact O-N 2.96Å; L178-I203 HydrophobicContact CD1-CG2 3.74Å; L178-M207 HydrophobicContact CB-CE 3.63Å |
| 179 | A | 96.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.7 | -47 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | S175 R176 L182 A183 M207 L211 I224 | S175-A179 WeakPolarHBondContact O-CB 3.48Å; S175-A179 PolarHBondContact O-N 2.89Å; R176-A179 WeakPolarHBondContact O-CB 3.28Å; R176-A179 PolarHBondContact O-N 2.86Å; A179-L182 PolarHBondContact O-N 2.75Å; A179-A183 VanDerWaalsContact O-CB 3.31Å; A179-A183 WeakPolarHBondContact O-CB 3.42Å; A179-A183 PolarHBondContact O-N 2.93Å; A179-M207 HydrophobicContact CB-CG 3.91Å; A179-M207 HydrophobicContact CB-SD 4.16Å; A179-L211 HydrophobicContact CB-CD2 4.49Å; A179-I224 HydrophobicContact CB-CD1 4.46Å; A179-I224 WeakPolarHBondContact O-CD1 3.32Å |
| 180 | S | 96 | Very high | 93 | Very high | 36 Ų | 36 | 36 Ų | 36 | 25% | 0.252 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.3 | -44.7 | 179.6 | -157.8 | 0 | 0 | 0 | 0 | 112.5 | R176 E177 L178 L182 A183 K184 E221 | R176-S180 PolarHBondContact O-N 2.91Å; R176-S180 VanDerWaalsContact O-N 3.1Å; E177-S180 PolarHBondContact O-N 2.66Å; L178-S180 VanDerWaalsContact C-N 3.3Å; L178-S180 PolarHBondContact O-N 2.94Å; S180-L182 PolarHBondContact O-N 3.12Å; S180-A183 PolarHBondContact O-N 2.96Å; S180-K184 WeakPolarHBondContact O-CG 3.24Å; S180-K184 PolarHBondContact O-N 2.51Å; S180-K184 VanDerWaalsContact O-N 3.08Å; S180-E221 VanDerWaalsContact CA-OE1 3.27Å; S180-E221 WeakPolarHBondContact CA-OE1 3.42Å; S180-E221 WeakPolarHBondContact CB-OE1 3.22Å; S180-E221 PolarHBondContact OG-OE1 2.94Å |
| 181 | K | 95.9 | Very high | 94.1 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 14% | 0.139 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 176.2 | -74 | -179.4 | 166 | 179 | 0 | 111.9 | Q71 E72 V74 E177 L178 K184 A185 | Q71-K181 HydrophobicContact CB-CB 4.36Å; Q71-K181 HydrophobicContact CB-CD 4.35Å; Q71-K181 HydrophobicContact CB-CG 3.94Å; Q71-K181 VanDerWaalsContact OE1-CG 3.31Å; E72-K181 WeakPolarHBondContact O-CE 3.3Å; E72-K181 PolarHBondContact O-NZ 2.82Å; V74-K181 HydrophobicContact CG2-CB 3.84Å; V74-K181 HydrophobicContact CG2-CD 4.49Å; E177-K181 HydrophobicContact CG-CD 4.2Å; E177-K181 WeakPolarHBondContact O-CG 3.23Å; E177-K181 PolarHBondContact O-N 2.59Å; E177-K181 WeakPolarHBondContact OE1-CE 3.45Å; E177-K181 IonicContact OE1-NZ 3.65Å; E177-K181 PolarHBondContact OE1-NZ 2.9Å; L178-K181 HydrophobicContact CD2-CD 4.47Å; L178-K181 PolarHBondContact O-N 3.12Å; K181-K184 PolarHBondContact O-N 3.41Å; K181-A185 PolarHBondContact O-N 2.71Å |
| 182 | L | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.5 | -41 | 179.6 | -71 | 173.7 | 0 | 0 | 0 | 111.8 | V74 V92 V149 L178 A179 S180 K184 A185 G186 V187 W194 M207 I224 | V74-L182 HydrophobicContact CG1-CD2 4.01Å; V74-L182 HydrophobicContact CG2-CD2 4.36Å; V92-L182 HydrophobicContact CG1-CD1 4.3Å; V92-L182 HydrophobicContact CG1-CD2 4.05Å; V149-L182 HydrophobicContact CG2-CD2 3.84Å; L178-L182 VanDerWaalsContact O-CB 3.24Å; L178-L182 WeakPolarHBondContact O-CB 3.46Å; L178-L182 WeakPolarHBondContact O-CG 3.28Å; L178-L182 PolarHBondContact O-N 2.96Å; A179-L182 PolarHBondContact O-N 2.75Å; S180-L182 PolarHBondContact O-N 3.12Å; L182-K184 VanDerWaalsContact C-N 3.29Å; L182-K184 PolarHBondContact O-N 3.27Å; L182-A185 CarbonylContact O-C 3.58Å; L182-A185 WeakPolarHBondContact O-CA 3.32Å; L182-A185 WeakPolarHBondContact O-CB 3.31Å; L182-A185 PolarHBondContact O-N 3.34Å; L182-A185 VanDerWaalsContact O-N 3.08Å; L182-G186 PolarHBondContact O-N 3.2Å; L182-V187 HydrophobicContact CB-CB 3.99Å; L182-V187 HydrophobicContact CB-CG1 4.43Å; L182-V187 HydrophobicContact CB-CG2 4.17Å; L182-V187 HydrophobicContact CD2-CG2 4.09Å; L182-V187 VanDerWaalsContact O-CB 3.26Å; L182-V187 WeakPolarHBondContact O-CB 3.36Å; L182-V187 PolarHBondContact O-N 2.76Å; L182-W194 HydrophobicContact CD1-CH2 3.61Å; L182-W194 HydrophobicContact CD1-CZ3 3.7Å; L182-M207 HydrophobicContact CD1-CE 4.01Å; L182-M207 HydrophobicContact CD1-SD 4.37Å; L182-I224 HydrophobicContact CB-CD1 4.28Å |
| 183 | A | 97 | Very high | 95.3 | Very high | 13 Ų | 13 | 33.9 Ų | 33.9 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.6 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A179 S180 G186 E221 I224 | A179-A183 VanDerWaalsContact O-CB 3.31Å; A179-A183 WeakPolarHBondContact O-CB 3.42Å; A179-A183 PolarHBondContact O-N 2.93Å; S180-A183 PolarHBondContact O-N 2.96Å; A183-G186 WeakPolarHBondContact O-CA 3.35Å; A183-G186 PolarHBondContact O-N 3.31Å; A183-E221 HydrophobicContact CB-CG 3.79Å; A183-I224 HydrophobicContact CB-CD1 4.18Å |
| 184 | K | 95.2 | Very high | 95.8 | Very high | 103 Ų | 103 | 31.9 Ų | 31.9 | 45% | 0.448 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65 | -35.6 | 173.4 | -73.1 | 169.7 | -177.1 | 171.5 | 0 | 112.9 | P68 V69 Q71 S180 K181 L182 G186 | P68-K184 CarbonylContact C-O 3.52Å; P68-K184 VanDerWaalsContact CA-O 3.3Å; P68-K184 WeakPolarHBondContact CA-O 3.46Å; V69-K184 PolarHBondContact N-O 3.08Å; V69-K184 CarbonylContact O-C 3.49Å; V69-K184 VanDerWaalsContact O-C 3.29Å; Q71-K184 HydrophobicContact CG-CD 4.24Å; Q71-K184 VanDerWaalsContact OE1-CD 3.25Å; S180-K184 WeakPolarHBondContact O-CG 3.24Å; S180-K184 PolarHBondContact O-N 2.51Å; S180-K184 VanDerWaalsContact O-N 3.08Å; K181-K184 PolarHBondContact O-N 3.41Å; L182-K184 VanDerWaalsContact C-N 3.29Å; L182-K184 PolarHBondContact O-N 3.27Å; K184-G186 PolarHBondContact O-N 3.22Å |
| 185 | A | 95.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 4.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P68 V69 F70 V74 R145 L147 K181 L182 V187 | P68-A185 VanDerWaalsContact CB-C 3.48Å; P68-A185 VanDerWaalsContact CB-O 3.28Å; P68-A185 WeakPolarHBondContact CB-O 3.36Å; V69-A185 WeakPolarHBondContact O-CA 3.22Å; V69-A185 PolarHBondContact O-N 3.3Å; F70-A185 HydrophobicContact CD1-CB 3.85Å; F70-A185 HydrophobicContact CE1-CB 4.03Å; V74-A185 HydrophobicContact CG1-CB 4.04Å; R145-A185 PolarHBondContact NH1-O 2.65Å; R145-A185 PolarHBondContact NH2-O 2.98Å; L147-A185 HydrophobicContact CD2-CB 4.14Å; K181-A185 PolarHBondContact O-N 2.71Å; L182-A185 CarbonylContact O-C 3.58Å; L182-A185 WeakPolarHBondContact O-CA 3.32Å; L182-A185 WeakPolarHBondContact O-CB 3.31Å; L182-A185 PolarHBondContact O-N 3.34Å; L182-A185 VanDerWaalsContact O-N 3.08Å; A185-V187 VanDerWaalsContact C-N 3.3Å; A185-V187 PolarHBondContact O-N 2.99Å |
| 186 | G | 95.9 | Very high | 96.5 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 14 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R145 L182 A183 K184 K189 | R145-G186 VanDerWaalsContact NH2-C 3.31Å; R145-G186 PolarHBondContact NH2-O 3.4Å; R145-G186 VanDerWaalsContact NH2-O 3.11Å; L182-G186 PolarHBondContact O-N 3.2Å; A183-G186 WeakPolarHBondContact O-CA 3.35Å; A183-G186 PolarHBondContact O-N 3.31Å; K184-G186 PolarHBondContact O-N 3.22Å; G186-K189 PolarHBondContact O-N 3.06Å |
| 187 | V | 97.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 136.6 | 170.8 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | D90 V92 L147 L182 A185 I192 I224 | D90-V187 WeakPolarHBondContact OD2-CA 3.25Å; V92-V187 HydrophobicContact CG2-CG1 4.28Å; V92-V187 HydrophobicContact CG2-CG2 4.41Å; L147-V187 HydrophobicContact CD1-CG2 4.2Å; L147-V187 HydrophobicContact CD2-CG2 3.83Å; L182-V187 HydrophobicContact CB-CB 3.99Å; L182-V187 HydrophobicContact CB-CG1 4.43Å; L182-V187 HydrophobicContact CB-CG2 4.17Å; L182-V187 HydrophobicContact CD2-CG2 4.09Å; L182-V187 VanDerWaalsContact O-CB 3.26Å; L182-V187 WeakPolarHBondContact O-CB 3.36Å; L182-V187 PolarHBondContact O-N 2.76Å; A185-V187 VanDerWaalsContact C-N 3.3Å; A185-V187 PolarHBondContact O-N 2.99Å; V187-I192 HydrophobicContact CG1-CD1 3.56Å; V187-I192 HydrophobicContact CG1-CG1 4.01Å; V187-I192 HydrophobicContact CG1-CG2 4.45Å; V187-I224 HydrophobicContact CG1-CG1 4.5Å |
| 188 | G | 96.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 5% | 0.052 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | -3.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | S223 N227 | G188-S223 WeakPolarHBondContact O-CB 3.35Å; G188-N227 PolarHBondContact O-ND2 3.06Å |
| 189 | K | 95.1 | Very high | 96.5 | Very high | 139 Ų | 139 | 20.4 Ų | 20.4 | 60% | 0.604 | 10% | 0.101 | S | C | * | . | S | Bend | trans | -83.8 | -13.7 | 170.7 | -66.5 | -173.9 | 178 | -176.7 | 0 | 113.5 | D66 G186 | D66-K189 PolarHBondContact O-NZ 3.2Å; G186-K189 PolarHBondContact O-N 3.06Å |
| 190 | R | 96 | Very high | 96.4 | Very high | 54 Ų | 54 | 20.2 Ų | 20.2 | 20% | 0.204 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -146.1 | 169.8 | -178.8 | 61.9 | 176.9 | 65.2 | 79.5 | 0.7 | 109.9 | Y87 D90 R145 I192 N227 | Y87-R190 WeakPolarHBondContact O-CD 3.28Å; Y87-R190 PolarHBondContact O-NE 2.89Å; D90-R190 HydrophobicContact CB-CG 4.32Å; D90-R190 VanDerWaalsContact CG-CG 3.46Å; D90-R190 VanDerWaalsContact OD1-CD 3.23Å; D90-R190 WeakPolarHBondContact OD1-CD 3.46Å; D90-R190 WeakPolarHBondContact OD1-CG 3.16Å; D90-R190 IonicContact OD1-NH1 2.7Å; D90-R190 PolarHBondContact OD1-NH1 3.43Å; D90-R190 VanDerWaalsContact OD1-NH1 3.16Å; D90-R190 WeakPolarHBondContact OD2-CG 3.48Å; D90-R190 IonicContact OD2-NH1 3.77Å; R145-R190 VanDerWaalsContact CZ-NH1 3.32Å; R190-I192 WeakPolarHBondContact O-CG1 3.35Å; R190-N227 WeakPolarHBondContact O-CB 3.21Å |
| 191 | P | 97.9 | Very high | 96.5 | Very high | 12 Ų | 12 | 18.5 Ų | 18.5 | 8% | 0.078 | 9% | 0.087 | C | C | . | . | trans | -56.4 | 142.8 | 179.6 | -22.9 | 33.5 | 0 | 0 | 0 | 112 | A88 A89 D90 N227 I229 Y358 | A88-P191 WeakPolarHBondContact O-CD 3.12Å; A89-P191 CarbonylContact C-O 3.44Å; A89-P191 VanDerWaalsContact CA-O 3.23Å; A89-P191 WeakPolarHBondContact CA-O 3.48Å; A89-P191 HydrophobicContact CB-CB 4.33Å; A89-P191 VanDerWaalsContact CB-O 3.32Å; A89-P191 WeakPolarHBondContact CB-O 3.47Å; D90-P191 PolarHBondContact N-O 3.4Å; P191-N227 CarbonylContact C-O 3.48Å; P191-N227 WeakPolarHBondContact CA-O 3.38Å; P191-I229 HydrophobicContact CB-CD1 3.67Å; P191-I229 HydrophobicContact CB-CG1 4.07Å; P191-I229 HydrophobicContact CB-CG2 4.15Å; P191-Y358 HydrophobicContact CB-CD1 4.41Å; P191-Y358 HydrophobicContact CB-CE1 4.16Å; P191-Y358 HydrophobicContact CG-CD1 3.74Å; P191-Y358 HydrophobicContact CG-CE1 3.18Å; P191-Y358 HydrophobicContact CG-CE2 4.21Å; P191-Y358 HydrophobicContact CG-CG 4.46Å; P191-Y358 VanDerWaalsContact CG-CZ 3.44Å | ||
| 192 | I | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.6 | -174.1 | -51.5 | 167.5 | 0 | 0 | 0 | 109.9 | D90 V92 V187 R190 W194 I224 N227 I229 A230 | D90-I192 WeakPolarHBondContact O-CA 3.46Å; V92-I192 HydrophobicContact CG2-CG2 4.13Å; V187-I192 HydrophobicContact CG1-CD1 3.56Å; V187-I192 HydrophobicContact CG1-CG1 4.01Å; V187-I192 HydrophobicContact CG1-CG2 4.45Å; R190-I192 WeakPolarHBondContact O-CG1 3.35Å; I192-W194 HydrophobicContact CG2-CD2 4.06Å; I192-W194 HydrophobicContact CG2-CG 4.44Å; I192-W194 HydrophobicContact CG2-CH2 4.5Å; I192-W194 HydrophobicContact CG2-CZ2 3.86Å; I192-I224 HydrophobicContact CD1-CB 4.22Å; I192-I224 HydrophobicContact CD1-CG2 3.89Å; I192-I224 WeakPolarHBondContact CD1-O 3.38Å; I192-N227 HydrophobicContact CD1-CB 4.44Å; I192-N227 HydrophobicContact CG1-CB 4.42Å; I192-N227 PolarHBondContact N-O 2.7Å; I192-I229 WeakPolarHBondContact O-CG1 3.41Å; I192-I229 PolarHBondContact O-N 3.32Å; I192-A230 PolarHBondContact O-N 2.91Å |
| 193 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.6 | 169.4 | -57.3 | 176.6 | 0 | 0 | 0 | 108 | D90 I91 V92 I229 A230 I351 V354 L355 | D90-I193 PolarHBondContact O-N 2.63Å; I91-I193 CarbonylContact C-O 3.29Å; I91-I193 VanDerWaalsContact CA-O 3.31Å; I91-I193 WeakPolarHBondContact CA-O 3.31Å; I91-I193 HydrophobicContact CG1-CB 4.31Å; I91-I193 HydrophobicContact CG2-CB 4.39Å; I91-I193 HydrophobicContact CG2-CG2 4.43Å; V92-I193 PolarHBondContact N-O 3.48Å; I193-I229 HydrophobicContact CD1-CD1 4.46Å; I193-I229 HydrophobicContact CG1-CD1 4.16Å; I193-I229 HydrophobicContact CG1-CG1 3.98Å; I193-A230 WeakPolarHBondContact CA-O 3.47Å; I193-A230 HydrophobicContact CG1-CB 4.21Å; I193-A230 HydrophobicContact CG2-CB 4.12Å; I193-I351 HydrophobicContact CD1-CB 4.44Å; I193-I351 HydrophobicContact CD1-CG1 4.28Å; I193-I351 HydrophobicContact CD1-CG2 3.82Å; I193-I351 HydrophobicContact CG2-CD1 4.37Å; I193-I351 HydrophobicContact CG2-CG1 4.22Å; I193-V354 HydrophobicContact CD1-CG1 4.2Å; I193-L355 HydrophobicContact CD1-CD2 4.04Å; I193-L355 HydrophobicContact CD1-CG 4.2Å |
| 194 | W | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 132.9 | 176 | -59.1 | 97.4 | 0 | 0 | 0 | 110.2 | V92 L94 L182 I192 V204 M207 I224 T228 A230 C231 V232 | V92-W194 HydrophobicContact CB-CE3 3.69Å; V92-W194 HydrophobicContact CB-CZ3 3.71Å; V92-W194 HydrophobicContact CG1-CE3 3.95Å; V92-W194 HydrophobicContact CG1-CZ3 3.59Å; V92-W194 HydrophobicContact CG2-CE3 4.46Å; V92-W194 HydrophobicContact CG2-CZ3 4.24Å; L94-W194 HydrophobicContact CD1-CE3 3.59Å; L94-W194 HydrophobicContact CD1-CZ3 3.8Å; L182-W194 HydrophobicContact CD1-CH2 3.61Å; L182-W194 HydrophobicContact CD1-CZ3 3.7Å; I192-W194 HydrophobicContact CG2-CD2 4.06Å; I192-W194 HydrophobicContact CG2-CG 4.44Å; I192-W194 HydrophobicContact CG2-CH2 4.5Å; I192-W194 HydrophobicContact CG2-CZ2 3.86Å; W194-V204 HydrophobicContact CB-CG1 3.96Å; W194-V204 HydrophobicContact CB-CG2 4.2Å; W194-V204 HydrophobicContact CD2-CG1 3.91Å; W194-V204 HydrophobicContact CD2-CG2 4.11Å; W194-V204 HydrophobicContact CE3-CG2 3.9Å; W194-V204 HydrophobicContact CG-CG1 3.63Å; W194-V204 HydrophobicContact CG-CG2 4.26Å; W194-M207 HydrophobicContact CH2-CE 4.37Å; W194-M207 HydrophobicContact CH2-SD 3.67Å; W194-M207 HydrophobicContact CZ2-SD 4.09Å; W194-M207 HydrophobicContact CZ3-SD 4.45Å; W194-I224 HydrophobicContact CH2-CG2 4.07Å; W194-I224 HydrophobicContact CZ2-CG2 3.51Å; W194-T228 PolarHBondContact NE1-OG1 3.06Å; W194-A230 PolarHBondContact N-O 2.95Å; W194-C231 CarbonylContact O-C 3.54Å; W194-C231 WeakPolarHBondContact O-CA 3.28Å; W194-V232 PolarHBondContact O-N 2.83Å |
| 195 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 116.9 | 169.9 | -176.8 | 0 | 0 | 0 | 0 | 108 | I91 V92 F93 L94 W105 V232 Y234 | I91-V195 HydrophobicContact CG2-CG2 3.75Å; V92-V195 PolarHBondContact O-N 2.95Å; F93-V195 CarbonylContact C-O 3.45Å; F93-V195 VanDerWaalsContact CA-O 3.22Å; F93-V195 WeakPolarHBondContact CA-O 3.21Å; F93-V195 HydrophobicContact CD1-CB 3.68Å; F93-V195 HydrophobicContact CD1-CG1 3.76Å; F93-V195 HydrophobicContact CD1-CG2 4.45Å; F93-V195 HydrophobicContact CE1-CB 3.62Å; F93-V195 HydrophobicContact CE1-CG1 3.59Å; F93-V195 HydrophobicContact CE1-CG2 3.95Å; F93-V195 HydrophobicContact CG-CB 4.28Å; F93-V195 HydrophobicContact CZ-CB 4.17Å; F93-V195 HydrophobicContact CZ-CG1 4.48Å; F93-V195 HydrophobicContact CZ-CG2 4.04Å; L94-V195 PolarHBondContact N-O 3.28Å; W105-V195 HydrophobicContact CH2-CG1 4.14Å; W105-V195 HydrophobicContact CZ3-CG1 4.19Å; V195-V232 HydrophobicContact CB-CB 4.41Å; V195-V232 HydrophobicContact CG1-CB 4.22Å; V195-V232 HydrophobicContact CG1-CG1 4.34Å; V195-V232 HydrophobicContact CG2-CB 4.14Å; V195-V232 HydrophobicContact CG2-CG2 4.18Å; V195-Y234 HydrophobicContact CG1-CD2 4.21Å; V195-Y234 HydrophobicContact CG1-CE2 3.79Å |
| 196 | S | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146 | -168.4 | 65.8 | 0 | 0 | 0 | 0 | 112 | L94 G201 V232 F233 Y234 | L94-S196 WeakPolarHBondContact O-CA 3.41Å; S196-G201 WeakPolarHBondContact OG-CA 3.24Å; S196-G201 PolarHBondContact OG-N 3.26Å; S196-V232 PolarHBondContact N-O 3.34Å; S196-V232 PolarHBondContact OG-O 3.27Å; S196-V232 VanDerWaalsContact OG-O 3.13Å; S196-F233 WeakPolarHBondContact OG-CD1 3.18Å; S196-Y234 PolarHBondContact O-N 3.36Å |
| 197 | H | 96.1 | Very high | 96.6 | Very high | 9 Ų | 9 | 11.7 Ų | 11.7 | 4% | 0.042 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.2 | 175.8 | 176.5 | -118.3 | 0 | 0 | 0 | 110.4 | L94 H95 G96 T104 W105 M199 G200 Y234 H330 | L94-H197 PolarHBondContact O-N 2.9Å; H95-H197 CarbonylContact C-O 3.46Å; G96-H197 WeakPolarHBondContact CA-O 3.35Å; G96-H197 PolarHBondContact N-O 3.12Å; T104-H197 HydrophobicContact CG2-CB 4.05Å; W105-H197 HydrophobicContact CH2-CB 4.1Å; H197-M199 PolarHBondContact O-N 3.19Å; H197-G200 PolarHBondContact O-N 3.35Å; H197-Y234 PolarHBondContact CD2-O 3.25Å; H197-Y234 VanDerWaalsContact CD2-O 3.25Å; H197-H330 AromaticContact CE1-CD2 3.95Å; H197-H330 AromaticContact NE2-CD2 3.77Å; H197-H330 AromaticContact NE2-NE2 3.85Å; H197-H330 PolarHBondContact NE2-O 3.15Å |
| 198 | S | 93.4 | Very high | 96.6 | Very high | 15 Ų | 15 | 11.6 Ų | 11.6 | 11% | 0.105 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | -127.5 | 173.3 | -165.7 | 0 | 0 | 0 | 0 | 111.2 | G200 G201 Y234 T236 H330 | S198-G200 PolarHBondContact O-N 2.88Å; S198-G200 VanDerWaalsContact O-N 3.1Å; S198-G201 PolarHBondContact O-N 3.4Å; S198-Y234 PolarHBondContact N-O 3.25Å; S198-T236 WeakPolarHBondContact O-CG2 3.36Å; S198-T236 PolarHBondContact O-OG1 3.35Å; S198-H330 WeakPolarHBondContact CB-NE2 3.24Å; S198-H330 PolarHBondContact OG-NE2 3.23Å |
| 199 | M | 91.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -51.2 | -28.8 | 176.5 | -170.5 | 175.3 | 78.2 | 0 | 0 | 114.7 | L97 Y151 H197 G201 L202 I203 E261 L265 | L97-M199 HydrophobicContact CD1-CE 4.03Å; L97-M199 HydrophobicContact CD1-SD 4.18Å; Y151-M199 HydrophobicContact CE2-CE 3.6Å; H197-M199 PolarHBondContact O-N 3.19Å; M199-G201 PolarHBondContact O-N 2.92Å; M199-L202 WeakPolarHBondContact O-CB 3.39Å; M199-L202 PolarHBondContact O-N 3.08Å; M199-I203 HydrophobicContact CE-CD1 4.33Å; M199-I203 PolarHBondContact O-N 3.45Å; M199-I203 VanDerWaalsContact O-N 3.16Å; M199-E261 WeakPolarHBondContact CE-OE1 3.15Å; M199-E261 HydrophobicContact SD-CB 3.98Å; M199-E261 HydrophobicContact SD-CG 4.35Å; M199-L265 HydrophobicContact SD-CD1 4.42Å |
| 200 | G | 94.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -56 | -34.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H95 H197 S198 L202 I203 V204 | H95-G200 WeakPolarHBondContact O-CA 3.26Å; H95-G200 PolarHBondContact O-N 2.5Å; H197-G200 PolarHBondContact O-N 3.35Å; S198-G200 PolarHBondContact O-N 2.88Å; S198-G200 VanDerWaalsContact O-N 3.1Å; G200-L202 VanDerWaalsContact C-N 3.34Å; G200-L202 PolarHBondContact O-N 3.16Å; G200-I203 PolarHBondContact O-N 3.27Å; G200-V204 WeakPolarHBondContact O-CG2 3.42Å; G200-V204 PolarHBondContact O-N 2.93Å; G200-V204 VanDerWaalsContact O-N 3.07Å |
| 201 | G | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -69.3 | -32 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S196 S198 M199 V204 K205 | S196-G201 WeakPolarHBondContact OG-CA 3.24Å; S196-G201 PolarHBondContact OG-N 3.26Å; S198-G201 PolarHBondContact O-N 3.4Å; M199-G201 PolarHBondContact O-N 2.92Å; G201-V204 PolarHBondContact O-N 3.06Å; G201-K205 WeakPolarHBondContact O-CG 3.44Å; G201-K205 PolarHBondContact O-N 2.99Å |
| 202 | L | 95 | Very high | 96.7 | Very high | 1 Ų | 1 | 8.1 Ų | 8.1 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -71.2 | -35.6 | 174.6 | -61.5 | 176.2 | 0 | 0 | 0 | 111.7 | I171 M199 G200 V204 K205 E206 T236 P237 L265 L272 L275 | I171-L202 HydrophobicContact CD1-CB 4.24Å; I171-L202 HydrophobicContact CD1-CD1 4.31Å; M199-L202 WeakPolarHBondContact O-CB 3.39Å; M199-L202 PolarHBondContact O-N 3.08Å; G200-L202 VanDerWaalsContact C-N 3.34Å; G200-L202 PolarHBondContact O-N 3.16Å; L202-V204 VanDerWaalsContact C-N 3.35Å; L202-K205 PolarHBondContact O-N 3.18Å; L202-E206 WeakPolarHBondContact O-CB 3.35Å; L202-E206 PolarHBondContact O-N 3.31Å; L202-T236 HydrophobicContact CD2-CG2 4Å; L202-T236 HydrophobicContact CG-CG2 3.97Å; L202-P237 HydrophobicContact CD1-CG 4.1Å; L202-L265 HydrophobicContact CD1-CD2 3.15Å; L202-L272 HydrophobicContact CD1-CD2 3.81Å; L202-L272 HydrophobicContact CD2-CD2 4.03Å; L202-L272 HydrophobicContact CG-CD2 4.48Å; L202-L275 HydrophobicContact CD2-CD2 4.46Å |
| 203 | I | 95.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 173 | -68.4 | 166.3 | 0 | 0 | 0 | 110.7 | L94 Y151 I171 L178 M199 G200 E206 M207 | L94-I203 HydrophobicContact CD2-CB 4.34Å; L94-I203 HydrophobicContact CD2-CG2 3.86Å; Y151-I203 HydrophobicContact CD1-CD1 4.44Å; Y151-I203 HydrophobicContact CD2-CD1 4.16Å; Y151-I203 HydrophobicContact CE1-CD1 3.83Å; Y151-I203 HydrophobicContact CE2-CD1 3.48Å; Y151-I203 VanDerWaalsContact CE2-CD1 3.48Å; Y151-I203 WeakPolarHBondContact OH-CD1 3.26Å; I171-I203 HydrophobicContact CG2-CG1 4.15Å; L178-I203 HydrophobicContact CD1-CG2 3.74Å; M199-I203 HydrophobicContact CE-CD1 4.33Å; M199-I203 PolarHBondContact O-N 3.45Å; M199-I203 VanDerWaalsContact O-N 3.16Å; G200-I203 PolarHBondContact O-N 3.27Å; I203-E206 PolarHBondContact O-N 3.3Å; I203-M207 VanDerWaalsContact O-CB 3.3Å; I203-M207 WeakPolarHBondContact O-CB 3.48Å; I203-M207 PolarHBondContact O-N 2.94Å |
| 204 | V | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 173.6 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | L94 W194 G200 G201 L202 E206 M207 L208 | L94-V204 HydrophobicContact CD1-CG2 3.93Å; L94-V204 HydrophobicContact CD2-CG2 3.94Å; L94-V204 HydrophobicContact CG-CG2 4.42Å; W194-V204 HydrophobicContact CB-CG1 3.96Å; W194-V204 HydrophobicContact CB-CG2 4.2Å; W194-V204 HydrophobicContact CD2-CG1 3.91Å; W194-V204 HydrophobicContact CD2-CG2 4.11Å; W194-V204 HydrophobicContact CE3-CG2 3.9Å; W194-V204 HydrophobicContact CG-CG1 3.63Å; W194-V204 HydrophobicContact CG-CG2 4.26Å; G200-V204 WeakPolarHBondContact O-CG2 3.42Å; G200-V204 PolarHBondContact O-N 2.93Å; G200-V204 VanDerWaalsContact O-N 3.07Å; G201-V204 PolarHBondContact O-N 3.06Å; L202-V204 VanDerWaalsContact C-N 3.35Å; V204-E206 VanDerWaalsContact C-N 3.34Å; V204-E206 PolarHBondContact O-N 2.73Å; V204-M207 WeakPolarHBondContact O-CB 3.43Å; V204-M207 PolarHBondContact O-N 2.94Å; V204-L208 HydrophobicContact CG1-CD1 3.93Å; V204-L208 HydrophobicContact CG1-CG 4.36Å; V204-L208 WeakPolarHBondContact O-CG 3.34Å; V204-L208 PolarHBondContact O-N 3.41Å |
| 205 | K | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.7 | -47.1 | 177.6 | -70.4 | -169.2 | 173.6 | -172.8 | 0 | 111.9 | G201 L202 M207 L208 R209 H238 L275 H276 F279 V319 | G201-K205 WeakPolarHBondContact O-CG 3.44Å; G201-K205 PolarHBondContact O-N 2.99Å; L202-K205 PolarHBondContact O-N 3.18Å; K205-M207 VanDerWaalsContact C-N 3.33Å; K205-M207 PolarHBondContact O-N 3.19Å; K205-L208 PolarHBondContact O-N 3.39Å; K205-R209 WeakPolarHBondContact O-CB 3.26Å; K205-R209 PolarHBondContact O-N 3.21Å; K205-H238 VanDerWaalsContact CE-ND1 3.29Å; K205-H238 WeakPolarHBondContact CE-ND1 3.32Å; K205-H238 PolarHBondContact NZ-CE1 2.82Å; K205-H238 PolarHBondContact NZ-ND1 3.13Å; K205-L275 HydrophobicContact CB-CD1 3.88Å; K205-L275 HydrophobicContact CB-CD2 4.26Å; K205-L275 HydrophobicContact CB-CG 4.04Å; K205-H276 PolarHBondContact NZ-ND1 3.29Å; K205-H276 VanDerWaalsContact NZ-ND1 3.11Å; K205-F279 HydrophobicContact CB-CB 4.26Å; K205-F279 HydrophobicContact CB-CD2 4.13Å; K205-F279 HydrophobicContact CB-CG 4.31Å; K205-F279 HydrophobicContact CD-CB 3.84Å; K205-F279 HydrophobicContact CD-CD1 3.97Å; K205-F279 HydrophobicContact CD-CD2 4.22Å; K205-F279 HydrophobicContact CD-CG 3.72Å; K205-F279 HydrophobicContact CG-CB 3.99Å; K205-F279 HydrophobicContact CG-CD1 4.19Å; K205-F279 HydrophobicContact CG-CD2 3.58Å; K205-F279 HydrophobicContact CG-CE2 4.05Å; K205-F279 HydrophobicContact CG-CG 3.63Å; K205-V319 VanDerWaalsContact NZ-CG2 3.3Å |
| 206 | E | 96.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 2% | 0.023 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.9 | -38.2 | -179.3 | -178.3 | 61.1 | -148.9 | 0 | 0 | 111.4 | I171 V172 S175 L202 I203 V204 R209 G210 Y271 L275 | I171-E206 HydrophobicContact CG2-CB 3.67Å; I171-E206 HydrophobicContact CG2-CG 3.98Å; V172-E206 HydrophobicContact CB-CG 4.43Å; V172-E206 HydrophobicContact CG2-CG 4.12Å; S175-E206 VanDerWaalsContact OG-CG 3.3Å; S175-E206 WeakPolarHBondContact OG-CG 3.46Å; L202-E206 WeakPolarHBondContact O-CB 3.35Å; L202-E206 PolarHBondContact O-N 3.31Å; I203-E206 PolarHBondContact O-N 3.3Å; V204-E206 VanDerWaalsContact C-N 3.34Å; V204-E206 PolarHBondContact O-N 2.73Å; E206-R209 PolarHBondContact O-N 3.28Å; E206-R209 IonicContact OE1-CZ 3.42Å; E206-R209 IonicContact OE1-NE 2.71Å; E206-R209 IonicContact OE1-NH2 2.73Å; E206-R209 PolarHBondContact OE1-NH2 3.18Å; E206-R209 IonicContact OE2-CZ 3.6Å; E206-R209 VanDerWaalsContact OE2-CZ 3.23Å; E206-R209 IonicContact OE2-NE 3.64Å; E206-R209 PolarHBondContact OE2-NE 3.25Å; E206-R209 VanDerWaalsContact OE2-NE 3.13Å; E206-R209 IonicContact OE2-NH2 3.84Å; E206-R209 PolarHBondContact OE2-NH2 3.44Å; E206-G210 PolarHBondContact O-N 3.29Å; E206-Y271 VanDerWaalsContact CD-OH 3.28Å; E206-Y271 PolarHBondContact OE2-OH 3.26Å; E206-L275 HydrophobicContact CB-CD1 4.24Å; E206-L275 HydrophobicContact CB-CD2 4.4Å; E206-L275 WeakPolarHBondContact OE2-CD1 3.37Å |
| 207 | M | 97.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.7 | -52.1 | 175 | -174 | -174.8 | -61.7 | 0 | 0 | 110.7 | L178 A179 L182 W194 I203 V204 K205 R209 G210 L211 I224 | L178-M207 HydrophobicContact CB-CE 3.63Å; A179-M207 HydrophobicContact CB-CG 3.91Å; A179-M207 HydrophobicContact CB-SD 4.16Å; L182-M207 HydrophobicContact CD1-CE 4.01Å; L182-M207 HydrophobicContact CD1-SD 4.37Å; W194-M207 HydrophobicContact CH2-CE 4.37Å; W194-M207 HydrophobicContact CH2-SD 3.67Å; W194-M207 HydrophobicContact CZ2-SD 4.09Å; W194-M207 HydrophobicContact CZ3-SD 4.45Å; I203-M207 VanDerWaalsContact O-CB 3.3Å; I203-M207 WeakPolarHBondContact O-CB 3.48Å; I203-M207 PolarHBondContact O-N 2.94Å; V204-M207 WeakPolarHBondContact O-CB 3.43Å; V204-M207 PolarHBondContact O-N 2.94Å; K205-M207 VanDerWaalsContact C-N 3.33Å; K205-M207 PolarHBondContact O-N 3.19Å; M207-R209 PolarHBondContact O-N 2.88Å; M207-G210 PolarHBondContact O-N 3.12Å; M207-L211 HydrophobicContact CG-CD1 4.08Å; M207-L211 WeakPolarHBondContact O-CB 3.32Å; M207-L211 VanDerWaalsContact O-CG 3.26Å; M207-L211 WeakPolarHBondContact O-CG 3.35Å; M207-L211 PolarHBondContact O-N 3.02Å; M207-I224 HydrophobicContact SD-CG2 4.31Å |
| 208 | L | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | -179 | -64.1 | 175.5 | 0 | 0 | 0 | 111.7 | V204 K205 D212 L225 T228 F279 | V204-L208 HydrophobicContact CG1-CD1 3.93Å; V204-L208 HydrophobicContact CG1-CG 4.36Å; V204-L208 WeakPolarHBondContact O-CG 3.34Å; V204-L208 PolarHBondContact O-N 3.41Å; K205-L208 PolarHBondContact O-N 3.39Å; L208-D212 WeakPolarHBondContact O-CB 3.47Å; L208-D212 PolarHBondContact O-N 3.07Å; L208-L225 HydrophobicContact CB-CD1 4.17Å; L208-L225 HydrophobicContact CD2-CB 4.43Å; L208-L225 HydrophobicContact CD2-CD1 3.92Å; L208-T228 HydrophobicContact CD1-CG2 4.14Å; L208-T228 HydrophobicContact CD2-CG2 4.27Å; L208-T228 WeakPolarHBondContact CD2-OG1 3.26Å; L208-F279 HydrophobicContact CD1-CD2 4.41Å; L208-F279 HydrophobicContact CD1-CE2 3.93Å |
| 209 | R | 97.7 | Very high | 95.2 | Very high | 49 Ų | 49 | 31.3 Ų | 31.3 | 19% | 0.185 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.3 | -48.5 | 173.7 | -175.7 | -174.4 | 74.6 | 136.1 | 6 | 111.9 | K205 E206 M207 L211 D212 T213 L275 D278 I282 | K205-R209 WeakPolarHBondContact O-CB 3.26Å; K205-R209 PolarHBondContact O-N 3.21Å; E206-R209 PolarHBondContact O-N 3.28Å; E206-R209 IonicContact OE1-CZ 3.42Å; E206-R209 IonicContact OE1-NE 2.71Å; E206-R209 IonicContact OE1-NH2 2.73Å; E206-R209 PolarHBondContact OE1-NH2 3.18Å; E206-R209 IonicContact OE2-CZ 3.6Å; E206-R209 VanDerWaalsContact OE2-CZ 3.23Å; E206-R209 IonicContact OE2-NE 3.64Å; E206-R209 PolarHBondContact OE2-NE 3.25Å; E206-R209 VanDerWaalsContact OE2-NE 3.13Å; E206-R209 IonicContact OE2-NH2 3.84Å; E206-R209 PolarHBondContact OE2-NH2 3.44Å; M207-R209 PolarHBondContact O-N 2.88Å; R209-L211 PolarHBondContact O-N 2.9Å; R209-D212 WeakPolarHBondContact O-CB 3.47Å; R209-D212 PolarHBondContact O-N 3.06Å; R209-D212 VanDerWaalsContact O-N 3.15Å; R209-T213 PolarHBondContact O-N 3.22Å; R209-T213 VanDerWaalsContact O-N 3.1Å; R209-T213 PolarHBondContact O-OG1 3.09Å; R209-L275 HydrophobicContact CB-CD1 4.26Å; R209-D278 WeakPolarHBondContact CD-OD2 2.96Å; R209-D278 HydrophobicContact CG-CB 4.05Å; R209-D278 IonicContact NH1-OD2 2.95Å; R209-I282 HydrophobicContact CB-CD1 4.27Å |
| 210 | G | 96.7 | Very high | 95.3 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.2 | -51.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E206 M207 D212 T213 D214 | E206-G210 PolarHBondContact O-N 3.29Å; M207-G210 PolarHBondContact O-N 3.12Å; G210-D212 PolarHBondContact O-N 3.16Å; G210-T213 PolarHBondContact O-N 2.62Å; G210-T213 VanDerWaalsContact O-N 3.16Å; G210-T213 PolarHBondContact O-OG1 3.28Å; G210-D214 WeakPolarHBondContact O-CB 2.95Å; G210-D214 PolarHBondContact O-N 2.95Å |
| 211 | L | 97 | Very high | 95.4 | Very high | 16 Ų | 16 | 36 Ų | 36 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -25.3 | 178.2 | -67.3 | 173.3 | 0 | 0 | 0 | 114.1 | A179 M207 R209 A217 E221 I224 L225 | A179-L211 HydrophobicContact CB-CD2 4.49Å; M207-L211 HydrophobicContact CG-CD1 4.08Å; M207-L211 WeakPolarHBondContact O-CB 3.32Å; M207-L211 VanDerWaalsContact O-CG 3.26Å; M207-L211 WeakPolarHBondContact O-CG 3.35Å; M207-L211 PolarHBondContact O-N 3.02Å; R209-L211 PolarHBondContact O-N 2.9Å; L211-A217 HydrophobicContact CD2-CB 4.14Å; L211-E221 WeakPolarHBondContact CD1-O 3.33Å; L211-E221 HydrophobicContact CD2-CB 3.83Å; L211-I224 HydrophobicContact CD1-CB 3.83Å; L211-I224 HydrophobicContact CD1-CG2 4.01Å; L211-L225 HydrophobicContact CB-CB 3.98Å; L211-L225 HydrophobicContact CB-CD2 4.38Å; L211-L225 HydrophobicContact CD1-CB 4.32Å |
| 212 | D | 96.1 | Very high | 95.4 | Very high | 60 Ų | 60 | 40.9 Ų | 40.9 | 32% | 0.321 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -76.1 | -35.5 | 175.7 | -164 | 52 | 0 | 0 | 0 | 112.5 | L208 R209 G210 L225 I282 R285 | L208-D212 WeakPolarHBondContact O-CB 3.47Å; L208-D212 PolarHBondContact O-N 3.07Å; R209-D212 WeakPolarHBondContact O-CB 3.47Å; R209-D212 PolarHBondContact O-N 3.06Å; R209-D212 VanDerWaalsContact O-N 3.15Å; G210-D212 PolarHBondContact O-N 3.16Å; D212-L225 HydrophobicContact CB-CD2 3.62Å; D212-L225 WeakPolarHBondContact OD1-CD2 3.35Å; D212-I282 HydrophobicContact CB-CD1 3.98Å; D212-I282 HydrophobicContact CB-CG1 4.38Å; D212-R285 IonicContact OD1-CZ 3.9Å; D212-R285 IonicContact OD1-NH1 3.77Å; D212-R285 IonicContact OD1-NH2 2.76Å; D212-R285 PolarHBondContact OD1-NH2 3.16Å; D212-R285 IonicContact OD2-CZ 3.74Å; D212-R285 IonicContact OD2-NH1 3.11Å; D212-R285 PolarHBondContact OD2-NH1 3.49Å; D212-R285 IonicContact OD2-NH2 3.16Å; D212-R285 PolarHBondContact OD2-NH2 2.87Å |
| 213 | T | 94.4 | Very high | 95.5 | Very high | 104 Ų | 104 | 42.6 Ų | 42.6 | 64% | 0.638 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -94.4 | -23 | -175.6 | 59.6 | 0 | 0 | 0 | 0 | 113.8 | R209 G210 S215 | R209-T213 PolarHBondContact O-N 3.22Å; R209-T213 VanDerWaalsContact O-N 3.1Å; R209-T213 PolarHBondContact O-OG1 3.09Å; G210-T213 PolarHBondContact O-N 2.62Å; G210-T213 VanDerWaalsContact O-N 3.16Å; G210-T213 PolarHBondContact O-OG1 3.28Å; T213-S215 PolarHBondContact O-N 3.25Å |
| 214 | D | 92.5 | Very high | 95.6 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | trans | -88.3 | 96.5 | -172.6 | -168.1 | -12.5 | 0 | 0 | 0 | 112.4 | G210 S216 A217 R222 | G210-D214 WeakPolarHBondContact O-CB 2.95Å; G210-D214 PolarHBondContact O-N 2.95Å; D214-S216 PolarHBondContact O-N 2.96Å; D214-S216 WeakPolarHBondContact OD1-CA 3.43Å; D214-S216 WeakPolarHBondContact OD1-CB 3.04Å; D214-S216 PolarHBondContact OD1-N 3.45Å; D214-S216 PolarHBondContact OD1-OG 2.88Å; D214-A217 HydrophobicContact CB-CB 4.22Å; D214-A217 PolarHBondContact O-N 3.36Å; D214-A217 PolarHBondContact OD1-N 3.12Å; D214-R222 PolarHBondContact O-NH2 3.04Å | ||
| 215 | S | 88.7 | Confident | 95.6 | Very high | 112 Ų | 112 | 43 Ų | 43 | 78% | 0.783 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 0.7 | 173.8 | 64.5 | 0 | 0 | 0 | 0 | 114.2 | T213 R222 | T213-S215 PolarHBondContact O-N 3.25Å; S215-R222 PolarHBondContact O-NH2 2.99Å |
| 216 | S | 92.8 | Very high | 95.6 | Very high | 99 Ų | 99 | 49.6 Ų | 49.6 | 69% | 0.692 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -13.4 | 171.8 | 76.6 | 0 | 0 | 0 | 0 | 114.4 | D214 | D214-S216 PolarHBondContact O-N 2.96Å; D214-S216 WeakPolarHBondContact OD1-CA 3.43Å; D214-S216 WeakPolarHBondContact OD1-CB 3.04Å; D214-S216 PolarHBondContact OD1-N 3.45Å; D214-S216 PolarHBondContact OD1-OG 2.88Å |
| 217 | A | 92.3 | Very high | 95.6 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -56.3 | 141.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L211 D214 R222 | L211-A217 HydrophobicContact CD2-CB 4.14Å; D214-A217 HydrophobicContact CB-CB 4.22Å; D214-A217 PolarHBondContact O-N 3.36Å; D214-A217 PolarHBondContact OD1-N 3.12Å; A217-R222 HydrophobicContact CB-CG 4.07Å; A217-R222 PolarHBondContact O-NE 3.49Å; A217-R222 PolarHBondContact O-NH2 3Å |
| 218 | A | 94.3 | Very high | 95.7 | Very high | 36 Ų | 36 | 51 Ų | 51 | 30% | 0.298 | 30% | 0.297 | S | S | . | . | trans | -62.7 | 151.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S220 E221 R222 | A218-S220 PolarHBondContact O-N 2.92Å; A218-S220 VanDerWaalsContact O-N 3.17Å; A218-E221 HydrophobicContact CB-CB 4.47Å; A218-E221 HydrophobicContact CB-CG 4.18Å; A218-E221 PolarHBondContact N-OE2 3.4Å; A218-E221 WeakPolarHBondContact O-CB 3.31Å; A218-E221 PolarHBondContact O-N 3.23Å; A218-R222 PolarHBondContact O-N 3.33Å | ||
| 219 | P | 94.9 | Very high | 95.7 | Very high | 104 Ų | 104 | 52.1 Ų | 52.1 | 68% | 0.675 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -55.4 | -35.4 | 178.5 | -28.4 | 35.6 | 0 | 0 | 0 | 114.2 | S223 | P219-S223 PolarHBondContact O-N 3.45Å; P219-S223 PolarHBondContact O-OG 3.44Å |
| 220 | S | 94.6 | Very high | 95.7 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 175.2 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | A218 S223 | A218-S220 PolarHBondContact O-N 2.92Å; A218-S220 VanDerWaalsContact O-N 3.17Å; S220-S223 WeakPolarHBondContact O-CB 3.38Å; S220-S223 PolarHBondContact O-N 2.72Å |
| 221 | E | 96.8 | Very high | 95.8 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69 | -44.7 | 176.4 | -65.5 | 171.2 | 160.7 | 0 | 0 | 110.9 | S180 A183 L211 A218 S223 I224 | S180-E221 VanDerWaalsContact CA-OE1 3.27Å; S180-E221 WeakPolarHBondContact CA-OE1 3.42Å; S180-E221 WeakPolarHBondContact CB-OE1 3.22Å; S180-E221 PolarHBondContact OG-OE1 2.94Å; A183-E221 HydrophobicContact CB-CG 3.79Å; L211-E221 WeakPolarHBondContact CD1-O 3.33Å; L211-E221 HydrophobicContact CD2-CB 3.83Å; A218-E221 HydrophobicContact CB-CB 4.47Å; A218-E221 HydrophobicContact CB-CG 4.18Å; A218-E221 PolarHBondContact N-OE2 3.4Å; A218-E221 WeakPolarHBondContact O-CB 3.31Å; A218-E221 PolarHBondContact O-N 3.23Å; E221-S223 PolarHBondContact O-N 2.94Å; E221-I224 WeakPolarHBondContact O-CB 3.1Å; E221-I224 WeakPolarHBondContact O-CG1 3.21Å; E221-I224 PolarHBondContact O-N 3.36Å |
| 222 | R | 96 | Very high | 95.9 | Very high | 102 Ų | 102 | 48.4 Ų | 48.4 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.6 | -32.1 | 174.7 | -72.6 | -170.2 | -178.5 | 142.5 | 23.4 | 113.4 | D214 S215 A217 A218 I224 L225 K226 | D214-R222 PolarHBondContact O-NH2 3.04Å; S215-R222 PolarHBondContact O-NH2 2.99Å; A217-R222 HydrophobicContact CB-CG 4.07Å; A217-R222 PolarHBondContact O-NE 3.49Å; A217-R222 PolarHBondContact O-NH2 3Å; A218-R222 PolarHBondContact O-N 3.33Å; R222-I224 PolarHBondContact O-N 3.37Å; R222-L225 PolarHBondContact O-N 3.38Å; R222-K226 PolarHBondContact O-N 3.03Å |
| 223 | S | 96.9 | Very high | 96 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63 | -22 | 177.6 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | G188 P219 S220 E221 K226 N227 | G188-S223 WeakPolarHBondContact O-CB 3.35Å; P219-S223 PolarHBondContact O-N 3.45Å; P219-S223 PolarHBondContact O-OG 3.44Å; S220-S223 WeakPolarHBondContact O-CB 3.38Å; S220-S223 PolarHBondContact O-N 2.72Å; E221-S223 PolarHBondContact O-N 2.94Å; S223-K226 PolarHBondContact O-N 2.97Å; S223-N227 WeakPolarHBondContact O-CB 3.46Å; S223-N227 PolarHBondContact O-N 3.5Å; S223-N227 PolarHBondContact O-ND2 3.16Å |
| 224 | I | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.4 | -52.4 | 172.3 | -61.7 | 176.8 | 0 | 0 | 0 | 110.8 | A179 L182 A183 V187 I192 W194 M207 L211 E221 R222 K226 N227 T228 | A179-I224 HydrophobicContact CB-CD1 4.46Å; A179-I224 WeakPolarHBondContact O-CD1 3.32Å; L182-I224 HydrophobicContact CB-CD1 4.28Å; A183-I224 HydrophobicContact CB-CD1 4.18Å; V187-I224 HydrophobicContact CG1-CG1 4.5Å; I192-I224 HydrophobicContact CD1-CB 4.22Å; I192-I224 HydrophobicContact CD1-CG2 3.89Å; I192-I224 WeakPolarHBondContact CD1-O 3.38Å; W194-I224 HydrophobicContact CH2-CG2 4.07Å; W194-I224 HydrophobicContact CZ2-CG2 3.51Å; M207-I224 HydrophobicContact SD-CG2 4.31Å; L211-I224 HydrophobicContact CD1-CB 3.83Å; L211-I224 HydrophobicContact CD1-CG2 4.01Å; E221-I224 WeakPolarHBondContact O-CB 3.1Å; E221-I224 WeakPolarHBondContact O-CG1 3.21Å; E221-I224 PolarHBondContact O-N 3.36Å; R222-I224 PolarHBondContact O-N 3.37Å; I224-K226 VanDerWaalsContact C-N 3.27Å; I224-K226 PolarHBondContact O-N 2.88Å; I224-N227 PolarHBondContact O-N 3.42Å; I224-T228 PolarHBondContact O-N 3.36Å; I224-T228 PolarHBondContact O-OG1 3.18Å |
| 225 | L | 97.8 | Very high | 96.3 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 174.5 | 174.1 | 62 | 0 | 0 | 0 | 110.5 | L208 L211 D212 R222 N227 T228 I282 | L208-L225 HydrophobicContact CB-CD1 4.17Å; L208-L225 HydrophobicContact CD2-CB 4.43Å; L208-L225 HydrophobicContact CD2-CD1 3.92Å; L211-L225 HydrophobicContact CB-CB 3.98Å; L211-L225 HydrophobicContact CB-CD2 4.38Å; L211-L225 HydrophobicContact CD1-CB 4.32Å; D212-L225 HydrophobicContact CB-CD2 3.62Å; D212-L225 WeakPolarHBondContact OD1-CD2 3.35Å; R222-L225 PolarHBondContact O-N 3.38Å; L225-N227 VanDerWaalsContact C-N 3.29Å; L225-N227 PolarHBondContact O-N 3.04Å; L225-T228 PolarHBondContact O-N 3.28Å; L225-I282 HydrophobicContact CD1-CG2 3.79Å |
| 226 | K | 96.7 | Very high | 96.7 | Very high | 139 Ų | 139 | 33 Ų | 33 | 60% | 0.604 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -59.8 | -41.9 | -178.1 | -172.2 | -177 | 173.2 | -175.9 | 0 | 112.3 | R222 S223 I224 R286 | R222-K226 PolarHBondContact O-N 3.03Å; S223-K226 PolarHBondContact O-N 2.97Å; I224-K226 VanDerWaalsContact C-N 3.27Å; I224-K226 PolarHBondContact O-N 2.88Å; K226-R286 PolarHBondContact O-NH2 2.92Å |
| 227 | N | 97.6 | Very high | 96.7 | Very high | 32 Ų | 32 | 28.4 Ų | 28.4 | 17% | 0.171 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -99.5 | 4.7 | -173.8 | -69.8 | -44.6 | 0 | 0 | 0 | 113.5 | G188 R190 P191 I192 S223 I224 L225 I229 | G188-N227 PolarHBondContact O-ND2 3.06Å; R190-N227 WeakPolarHBondContact O-CB 3.21Å; P191-N227 CarbonylContact C-O 3.48Å; P191-N227 WeakPolarHBondContact CA-O 3.38Å; I192-N227 HydrophobicContact CD1-CB 4.44Å; I192-N227 HydrophobicContact CG1-CB 4.42Å; I192-N227 PolarHBondContact N-O 2.7Å; S223-N227 WeakPolarHBondContact O-CB 3.46Å; S223-N227 PolarHBondContact O-N 3.5Å; S223-N227 PolarHBondContact O-ND2 3.16Å; I224-N227 PolarHBondContact O-N 3.42Å; L225-N227 VanDerWaalsContact C-N 3.29Å; L225-N227 PolarHBondContact O-N 3.04Å; N227-I229 PolarHBondContact O-N 3.37Å |
| 228 | T | 98.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 118.6 | 171.2 | -67.2 | 0 | 0 | 0 | 0 | 110.3 | W194 L208 I224 L225 I288 | W194-T228 PolarHBondContact NE1-OG1 3.06Å; L208-T228 HydrophobicContact CD1-CG2 4.14Å; L208-T228 HydrophobicContact CD2-CG2 4.27Å; L208-T228 WeakPolarHBondContact CD2-OG1 3.26Å; I224-T228 PolarHBondContact O-N 3.36Å; I224-T228 PolarHBondContact O-OG1 3.18Å; L225-T228 PolarHBondContact O-N 3.28Å; T228-I288 HydrophobicContact CG2-CD1 3.92Å; T228-I288 HydrophobicContact CG2-CG1 4.25Å; T228-I288 HydrophobicContact CG2-CG2 4.27Å |
| 229 | I | 98.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 28.7 Ų | 28.7 | 12% | 0.118 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -25.6 | -178.3 | 61.4 | 164.6 | 0 | 0 | 0 | 112.9 | P191 I192 I193 N227 I288 A289 V354 L355 Y358 | P191-I229 HydrophobicContact CB-CD1 3.67Å; P191-I229 HydrophobicContact CB-CG1 4.07Å; P191-I229 HydrophobicContact CB-CG2 4.15Å; I192-I229 WeakPolarHBondContact O-CG1 3.41Å; I192-I229 PolarHBondContact O-N 3.32Å; I193-I229 HydrophobicContact CD1-CD1 4.46Å; I193-I229 HydrophobicContact CG1-CD1 4.16Å; I193-I229 HydrophobicContact CG1-CG1 3.98Å; N227-I229 PolarHBondContact O-N 3.37Å; I229-I288 WeakPolarHBondContact O-CA 3.23Å; I229-A289 PolarHBondContact O-N 2.86Å; I229-V354 HydrophobicContact CD1-CG1 3.56Å; I229-V354 HydrophobicContact CG1-CG1 4.07Å; I229-L355 HydrophobicContact CD1-CD2 4.43Å; I229-Y358 HydrophobicContact CD1-CD2 4.26Å; I229-Y358 HydrophobicContact CD1-CG 4.22Å; I229-Y358 HydrophobicContact CG2-CD2 3.68Å; I229-Y358 HydrophobicContact CG2-CE2 3.69Å |
| 230 | A | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 158.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | I192 I193 W194 A289 F350 V354 | I192-A230 PolarHBondContact O-N 2.91Å; I193-A230 WeakPolarHBondContact CA-O 3.47Å; I193-A230 HydrophobicContact CG1-CB 4.21Å; I193-A230 HydrophobicContact CG2-CB 4.12Å; W194-A230 PolarHBondContact N-O 2.95Å; A230-A289 CarbonylContact C-O 3.58Å; A230-A289 WeakPolarHBondContact CA-O 3.32Å; A230-A289 HydrophobicContact CB-CB 4.11Å; A230-A289 WeakPolarHBondContact CB-O 3.48Å; A230-F350 HydrophobicContact CB-CE1 3.87Å; A230-F350 HydrophobicContact CB-CZ 3.99Å; A230-V354 HydrophobicContact CB-CG1 3.9Å; A230-V354 HydrophobicContact CB-CG2 4.17Å |
| 231 | C | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 132.6 | 174 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | W194 F233 A289 C290 L291 | W194-C231 CarbonylContact O-C 3.54Å; W194-C231 WeakPolarHBondContact O-CA 3.28Å; C231-F233 HydrophobicContact CB-CD2 4.33Å; C231-F233 HydrophobicContact CB-CE1 4.31Å; C231-F233 HydrophobicContact CB-CE2 3.52Å; C231-F233 HydrophobicContact CB-CZ 3.51Å; C231-A289 PolarHBondContact N-O 2.88Å; C231-C290 CarbonylContact O-C 3.59Å; C231-C290 VanDerWaalsContact O-CA 3.23Å; C231-C290 WeakPolarHBondContact O-CA 3.47Å; C231-L291 PolarHBondContact O-N 3.43Å |
| 232 | V | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.8 | 171.1 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | W194 V195 S196 Y234 L291 F293 V347 F350 | W194-V232 PolarHBondContact O-N 2.83Å; V195-V232 HydrophobicContact CB-CB 4.41Å; V195-V232 HydrophobicContact CG1-CB 4.22Å; V195-V232 HydrophobicContact CG1-CG1 4.34Å; V195-V232 HydrophobicContact CG2-CB 4.14Å; V195-V232 HydrophobicContact CG2-CG2 4.18Å; S196-V232 PolarHBondContact N-O 3.34Å; S196-V232 PolarHBondContact OG-O 3.27Å; S196-V232 VanDerWaalsContact OG-O 3.13Å; V232-Y234 HydrophobicContact CG1-CD2 4.28Å; V232-Y234 HydrophobicContact CG1-CE2 3.98Å; V232-L291 CarbonylContact C-O 3.58Å; V232-L291 WeakPolarHBondContact CA-O 3.37Å; V232-L291 HydrophobicContact CG1-CB 4.45Å; V232-L291 HydrophobicContact CG1-CD2 4.14Å; V232-L291 HydrophobicContact CG1-CG 4.35Å; V232-L291 HydrophobicContact CG2-CB 4.29Å; V232-L291 HydrophobicContact CG2-CD2 4.37Å; V232-F293 HydrophobicContact CG1-CD2 4.17Å; V232-F293 HydrophobicContact CG1-CE2 3.74Å; V232-V347 HydrophobicContact CG1-CG2 3.92Å; V232-F350 HydrophobicContact CG2-CD1 3.76Å; V232-F350 HydrophobicContact CG2-CE1 3.71Å |
| 233 | F | 98.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 109.6 | -176.7 | -62.6 | -66.8 | 0 | 0 | 0 | 111.1 | S196 C231 T236 H238 F279 L291 S292 F293 V319 | S196-F233 WeakPolarHBondContact OG-CD1 3.18Å; C231-F233 HydrophobicContact CB-CD2 4.33Å; C231-F233 HydrophobicContact CB-CE1 4.31Å; C231-F233 HydrophobicContact CB-CE2 3.52Å; C231-F233 HydrophobicContact CB-CZ 3.51Å; F233-T236 HydrophobicContact CD1-CG2 4.38Å; F233-H238 AromaticContact CD1-CE1 3.7Å; F233-H238 AromaticContact CD2-CE1 3.85Å; F233-H238 AromaticContact CD2-NE2 3.87Å; F233-H238 AromaticContact CG-CE1 3.6Å; F233-H238 AromaticContact CG-NE2 3.82Å; F233-F279 HydrophobicContact CE2-CE1 4.23Å; F233-F279 HydrophobicContact CE2-CZ 4.04Å; F233-F279 HydrophobicContact CZ-CE1 4.28Å; F233-F279 HydrophobicContact CZ-CE2 4.44Å; F233-F279 AromaticContact CZ-CZ 3.83Å; F233-F279 HydrophobicContact CZ-CZ 3.83Å; F233-L291 PolarHBondContact N-O 3.15Å; F233-S292 CarbonylContact O-C 3.56Å; F233-S292 WeakPolarHBondContact O-CA 3.33Å; F233-F293 PolarHBondContact O-N 3.48Å; F233-V319 HydrophobicContact CE2-CG1 4.3Å; F233-V319 HydrophobicContact CE2-CG2 4.36Å |
| 234 | Y | 98 | Very high | 90.2 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 102.6 | 170.2 | -71.7 | -83.4 | 0 | 0 | 0 | 110.6 | V195 S196 H197 S198 V232 T236 F293 L333 C334 S343 V347 | V195-Y234 HydrophobicContact CG1-CD2 4.21Å; V195-Y234 HydrophobicContact CG1-CE2 3.79Å; S196-Y234 PolarHBondContact O-N 3.36Å; H197-Y234 PolarHBondContact CD2-O 3.25Å; H197-Y234 VanDerWaalsContact CD2-O 3.25Å; S198-Y234 PolarHBondContact N-O 3.25Å; V232-Y234 HydrophobicContact CG1-CD2 4.28Å; V232-Y234 HydrophobicContact CG1-CE2 3.98Å; Y234-T236 VanDerWaalsContact C-N 3.26Å; Y234-T236 PolarHBondContact O-N 2.93Å; Y234-F293 HydrophobicContact CD1-CB 3.7Å; Y234-F293 HydrophobicContact CD1-CD1 4.47Å; Y234-F293 AromaticContact CD1-CD2 3.4Å; Y234-F293 HydrophobicContact CD1-CD2 3.4Å; Y234-F293 VanDerWaalsContact CD1-CD2 3.4Å; Y234-F293 HydrophobicContact CD1-CE2 4.1Å; Y234-F293 AromaticContact CD1-CG 3.61Å; Y234-F293 HydrophobicContact CD1-CG 3.61Å; Y234-F293 HydrophobicContact CD2-CD2 4.42Å; Y234-F293 HydrophobicContact CE1-CB 4.24Å; Y234-F293 HydrophobicContact CE1-CD1 4.17Å; Y234-F293 AromaticContact CE1-CD2 3.33Å; Y234-F293 HydrophobicContact CE1-CD2 3.33Å; Y234-F293 HydrophobicContact CE1-CE1 4.36Å; Y234-F293 AromaticContact CE1-CE2 3.56Å; Y234-F293 HydrophobicContact CE1-CE2 3.56Å; Y234-F293 AromaticContact CE1-CG 3.65Å; Y234-F293 HydrophobicContact CE1-CG 3.65Å; Y234-F293 HydrophobicContact CE1-CZ 4.07Å; Y234-F293 HydrophobicContact CE2-CD2 4.36Å; Y234-F293 HydrophobicContact CE2-CE2 4.3Å; Y234-F293 HydrophobicContact CG-CB 4.48Å; Y234-F293 AromaticContact CG-CD2 3.99Å; Y234-F293 HydrophobicContact CG-CD2 3.99Å; Y234-F293 AromaticContact CZ-CD2 3.86Å; Y234-F293 AromaticContact CZ-CE2 3.69Å; Y234-L333 HydrophobicContact CD1-CB 4.04Å; Y234-L333 WeakPolarHBondContact CD1-O 3.26Å; Y234-L333 VanDerWaalsContact CE1-O 3.27Å; Y234-L333 WeakPolarHBondContact CE1-O 3.33Å; Y234-C334 HydrophobicContact CD1-CB 4Å; Y234-C334 HydrophobicContact CD2-CB 3.9Å; Y234-C334 HydrophobicContact CE1-CB 4.24Å; Y234-C334 HydrophobicContact CE2-CB 4.16Å; Y234-C334 HydrophobicContact CG-CB 3.79Å; Y234-S343 PolarHBondContact OH-O 3.44Å; Y234-V347 HydrophobicContact CE2-CG2 4.24Å; Y234-V347 WeakPolarHBondContact OH-CG2 3.43Å |
| 235 | G | 95.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 57.8 | 35.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P237 F293 V311 H330 | G235-P237 WeakPolarHBondContact O-CD 3.36Å; G235-F293 WeakPolarHBondContact CA-O 3.48Å; G235-F293 PolarHBondContact N-O 3.22Å; G235-V311 WeakPolarHBondContact O-CG2 3Å; G235-H330 PolarHBondContact O-CE1 2.95Å |
| 236 | T | 95.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -73.3 | 126.1 | 179.9 | -64.5 | 0 | 0 | 0 | 0 | 110.4 | S198 L202 F233 Y234 H238 A316 | S198-T236 WeakPolarHBondContact O-CG2 3.36Å; S198-T236 PolarHBondContact O-OG1 3.35Å; L202-T236 HydrophobicContact CD2-CG2 4Å; L202-T236 HydrophobicContact CG-CG2 3.97Å; F233-T236 HydrophobicContact CD1-CG2 4.38Å; Y234-T236 VanDerWaalsContact C-N 3.26Å; Y234-T236 PolarHBondContact O-N 2.93Å; T236-H238 VanDerWaalsContact C-N 3.25Å; T236-H238 VanDerWaalsContact CB-CE1 3.45Å; T236-H238 WeakPolarHBondContact CB-CE1 3.22Å; T236-H238 WeakPolarHBondContact CG2-CE1 3.22Å; T236-H238 WeakPolarHBondContact CG2-ND1 3.23Å; T236-H238 PolarHBondContact O-N 3.48Å; T236-A316 WeakPolarHBondContact O-CA 3.41Å | ||
| 237 | P | 93.7 | Very high | 84.8 | Confident | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.013 | 9% | 0.085 | C | C | . | . | trans | -75.9 | 71.8 | 177.8 | 29.3 | -32.5 | 0 | 0 | 0 | 111.8 | L202 G235 L239 G240 L265 V311 S315 | L202-P237 HydrophobicContact CD1-CG 4.1Å; G235-P237 WeakPolarHBondContact O-CD 3.36Å; P237-L239 VanDerWaalsContact C-N 3.26Å; P237-L239 PolarHBondContact O-N 2.87Å; P237-G240 VanDerWaalsContact CB-C 3.5Å; P237-G240 VanDerWaalsContact CB-O 3.26Å; P237-G240 WeakPolarHBondContact CB-O 3.46Å; P237-G240 PolarHBondContact O-N 2.94Å; P237-L265 HydrophobicContact CG-CD2 4.06Å; P237-V311 HydrophobicContact CB-CG1 3.94Å; P237-V311 HydrophobicContact CB-CG2 3.77Å; P237-V311 HydrophobicContact CG-CG2 4.23Å; P237-S315 VanDerWaalsContact C-OG 3.31Å; P237-S315 WeakPolarHBondContact CA-OG 3.27Å | ||
| 238 | H | 93.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -35.3 | -175 | -60 | -48.6 | 0 | 0 | 0 | 113.5 | K205 F233 T236 S315 S318 V319 | K205-H238 VanDerWaalsContact CE-ND1 3.29Å; K205-H238 WeakPolarHBondContact CE-ND1 3.32Å; K205-H238 PolarHBondContact NZ-CE1 2.82Å; K205-H238 PolarHBondContact NZ-ND1 3.13Å; F233-H238 AromaticContact CD1-CE1 3.7Å; F233-H238 AromaticContact CD2-CE1 3.85Å; F233-H238 AromaticContact CD2-NE2 3.87Å; F233-H238 AromaticContact CG-CE1 3.6Å; F233-H238 AromaticContact CG-NE2 3.82Å; T236-H238 VanDerWaalsContact C-N 3.25Å; T236-H238 VanDerWaalsContact CB-CE1 3.45Å; T236-H238 WeakPolarHBondContact CB-CE1 3.22Å; T236-H238 WeakPolarHBondContact CG2-CE1 3.22Å; T236-H238 WeakPolarHBondContact CG2-ND1 3.23Å; T236-H238 PolarHBondContact O-N 3.48Å; H238-S315 VanDerWaalsContact CB-O 3.27Å; H238-S315 WeakPolarHBondContact CB-O 3.11Å; H238-S315 PolarHBondContact CD2-O 3.47Å; H238-S315 PolarHBondContact N-OG 3.16Å; H238-S318 WeakPolarHBondContact CB-OG 3.46Å; H238-V319 VanDerWaalsContact NE2-CG2 3.33Å; H238-V319 WeakPolarHBondContact NE2-CG2 3.13Å |
| 239 | L | 89.9 | Confident | 80.8 | Confident | 50 Ų | 50 | 22.2 Ų | 22.2 | 26% | 0.262 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 11.9 | 177 | -62.6 | 175.1 | 0 | 0 | 0 | 112.3 | P237 G268 H276 S315 | P237-L239 VanDerWaalsContact C-N 3.26Å; P237-L239 PolarHBondContact O-N 2.87Å; L239-G268 PolarHBondContact O-N 2.72Å; L239-G268 VanDerWaalsContact O-N 3.15Å; L239-H276 VanDerWaalsContact CD2-CD2 3.47Å; L239-H276 WeakPolarHBondContact CD2-CD2 3.48Å; L239-S315 PolarHBondContact N-OG 3.49Å |
| 240 | G | 79.5 | Confident | 78.7 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | trans | 95.6 | -178.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P237 L265 L272 S315 | P237-G240 VanDerWaalsContact CB-C 3.5Å; P237-G240 VanDerWaalsContact CB-O 3.26Å; P237-G240 WeakPolarHBondContact CB-O 3.46Å; P237-G240 PolarHBondContact O-N 2.94Å; G240-L265 WeakPolarHBondContact CA-O 3.12Å; G240-L272 VanDerWaalsContact CA-CD1 3.43Å; G240-S315 PolarHBondContact O-OG 3.3Å | ||
| 241 | S | 70.2 | Confident | 76.4 | Confident | 12 Ų | 12 | 26.4 Ų | 26.4 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -126.4 | 136.3 | -171.6 | 65.5 | 0 | 0 | 0 | 0 | 110.8 | L243 A244 T245 L265 L310 | S241-L243 PolarHBondContact O-N 3.3Å; S241-A244 PolarHBondContact O-N 3.02Å; S241-A244 WeakPolarHBondContact OG-CB 3.34Å; S241-A244 PolarHBondContact OG-N 3.05Å; S241-T245 PolarHBondContact O-N 2.95Å; S241-T245 PolarHBondContact O-OG1 2.98Å; S241-L265 PolarHBondContact N-O 2.9Å; S241-L265 PolarHBondContact OG-O 3.41Å; S241-L265 VanDerWaalsContact OG-O 3.07Å; S241-L310 VanDerWaalsContact CB-O 3.25Å; S241-L310 WeakPolarHBondContact CB-O 3.33Å |
| 242 | T | 67.8 | Low | 74.1 | Confident | 47 Ų | 47 | 28.8 Ų | 28.8 | 29% | 0.288 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.8 | -33.7 | 178.6 | -50.1 | 0 | 0 | 0 | 0 | 111 | A244 T245 V246 E267 | T242-A244 PolarHBondContact O-N 3.1Å; T242-T245 WeakPolarHBondContact O-CB 3.42Å; T242-T245 PolarHBondContact O-N 3.49Å; T242-V246 HydrophobicContact CG2-CG2 4.5Å; T242-V246 WeakPolarHBondContact O-CG2 3.36Å; T242-V246 PolarHBondContact O-N 3.17Å; T242-E267 PolarHBondContact OG1-OE2 2.92Å |
| 243 | L | 66.2 | Low | 71.9 | Confident | 32 Ų | 32 | 32.2 Ų | 32.2 | 17% | 0.168 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 176.2 | -178.3 | 64.9 | 0 | 0 | 0 | 112.2 | S241 T245 V246 S247 V301 I304 V308 L310 | S241-L243 PolarHBondContact O-N 3.3Å; L243-T245 VanDerWaalsContact C-N 3.26Å; L243-T245 PolarHBondContact O-N 3Å; L243-V246 PolarHBondContact O-N 2.95Å; L243-S247 WeakPolarHBondContact O-CB 3.47Å; L243-S247 PolarHBondContact O-N 3.28Å; L243-S247 PolarHBondContact O-OG 3.07Å; L243-V301 HydrophobicContact CD1-CG2 4.44Å; L243-I304 HydrophobicContact CD1-CD1 3.62Å; L243-V308 HydrophobicContact CB-CG1 4.49Å; L243-L310 HydrophobicContact CB-CD2 4.18Å; L243-L310 HydrophobicContact CD2-CD2 3.75Å; L243-L310 HydrophobicContact CG-CD2 4.41Å |
| 244 | A | 61.2 | Low | 69.5 | Low | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -35.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | S241 T242 S247 T248 V262 L265 K266 | S241-A244 PolarHBondContact O-N 3.02Å; S241-A244 WeakPolarHBondContact OG-CB 3.34Å; S241-A244 PolarHBondContact OG-N 3.05Å; T242-A244 PolarHBondContact O-N 3.1Å; A244-S247 WeakPolarHBondContact CA-OG 3.49Å; A244-S247 PolarHBondContact O-OG 3.02Å; A244-T248 WeakPolarHBondContact O-CB 3.45Å; A244-T248 WeakPolarHBondContact O-CG2 3.4Å; A244-T248 PolarHBondContact O-N 2.73Å; A244-T248 PolarHBondContact O-OG1 3.41Å; A244-V262 HydrophobicContact CB-CG1 4.08Å; A244-V262 WeakPolarHBondContact CB-O 3.41Å; A244-L265 HydrophobicContact CB-CB 3.91Å; A244-L265 VanDerWaalsContact CB-O 3.27Å; A244-L265 WeakPolarHBondContact CB-O 3.47Å; A244-K266 HydrophobicContact CB-CG 4.38Å |
| 245 | T | 60.1 | Low | 67.3 | Low | 25 Ų | 25 | 45 Ų | 45 | 15% | 0.153 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 174.7 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | S241 T242 L243 T248 K249 E267 | S241-T245 PolarHBondContact O-N 2.95Å; S241-T245 PolarHBondContact O-OG1 2.98Å; T242-T245 WeakPolarHBondContact O-CB 3.42Å; T242-T245 PolarHBondContact O-N 3.49Å; L243-T245 VanDerWaalsContact C-N 3.26Å; L243-T245 PolarHBondContact O-N 3Å; T245-T248 PolarHBondContact O-OG1 3.04Å; T245-K249 HydrophobicContact CG2-CD 3.89Å; T245-K249 WeakPolarHBondContact O-CB 3.3Å; T245-K249 WeakPolarHBondContact O-CG 3.11Å; T245-K249 PolarHBondContact O-N 3.35Å; T245-E267 WeakPolarHBondContact OG1-CB 3.37Å; T245-E267 PolarHBondContact OG1-N 3.45Å; T245-E267 VanDerWaalsContact OG1-N 3.1Å |
| 246 | V | 61.3 | Low | 65.3 | Low | 64 Ų | 64 | 47.1 Ų | 47.1 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.2 | -43 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | T242 L243 T248 L252 | T242-V246 HydrophobicContact CG2-CG2 4.5Å; T242-V246 WeakPolarHBondContact O-CG2 3.36Å; T242-V246 PolarHBondContact O-N 3.17Å; L243-V246 PolarHBondContact O-N 2.95Å; V246-T248 PolarHBondContact O-N 3.32Å; V246-L252 HydrophobicContact CG1-CD1 4.28Å |
| 247 | S | 58.8 | Low | 63.3 | Low | 14 Ų | 14 | 51.6 Ų | 51.6 | 10% | 0.098 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.7 | -22.9 | -177.8 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | L243 A244 | L243-S247 WeakPolarHBondContact O-CB 3.47Å; L243-S247 PolarHBondContact O-N 3.28Å; L243-S247 PolarHBondContact O-OG 3.07Å; A244-S247 WeakPolarHBondContact CA-OG 3.49Å; A244-S247 PolarHBondContact O-OG 3.02Å |
| 248 | T | 55.6 | Low | 61.6 | Low | 19 Ų | 19 | 51.8 Ų | 51.8 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -104.9 | -18.9 | -173 | 58.2 | 0 | 0 | 0 | 0 | 114.2 | A244 T245 V246 P258 N263 K266 | A244-T248 WeakPolarHBondContact O-CB 3.45Å; A244-T248 WeakPolarHBondContact O-CG2 3.4Å; A244-T248 PolarHBondContact O-N 2.73Å; A244-T248 PolarHBondContact O-OG1 3.41Å; T245-T248 PolarHBondContact O-OG1 3.04Å; V246-T248 PolarHBondContact O-N 3.32Å; T248-P258 HydrophobicContact CG2-CB 4.27Å; T248-P258 HydrophobicContact CG2-CG 3.65Å; T248-N263 WeakPolarHBondContact CG2-OD1 3.44Å; T248-K266 WeakPolarHBondContact OG1-CE 3.45Å |
| 249 | K | 56.8 | Low | 60.2 | Low | 177 Ų | 177 | 51.8 Ų | 51.8 | 77% | 0.77 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -97.9 | -10.2 | 179.8 | -70 | -175.2 | 178.7 | 178.9 | 0 | 114.8 | T245 | T245-K249 HydrophobicContact CG2-CD 3.89Å; T245-K249 WeakPolarHBondContact O-CB 3.3Å; T245-K249 WeakPolarHBondContact O-CG 3.11Å; T245-K249 PolarHBondContact O-N 3.35Å |
| 250 | G | 54.6 | Low | 58.8 | Low | 35 Ų | 35 | 51.3 Ų | 51.3 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -110 | 173.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L252 N253 | G250-L252 PolarHBondContact O-N 2.78Å; G250-N253 PolarHBondContact O-N 2.87Å |
| 251 | A | 49.6 | Very low | 58.1 | Low | 75 Ų | 75 | 51.5 Ų | 51.5 | 62% | 0.62 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -12.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N253 T254 F255 | A251-N253 PolarHBondContact O-N 3.43Å; A251-T254 PolarHBondContact O-N 2.89Å; A251-T254 PolarHBondContact O-OG1 3.42Å; A251-F255 VanDerWaalsContact O-CD2 3.31Å; A251-F255 WeakPolarHBondContact O-CD2 3.32Å |
| 252 | L | 51.5 | Low | 57.8 | Low | 50 Ų | 50 | 51.4 Ų | 51.4 | 26% | 0.262 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.9 | -29.1 | 169 | -67.7 | 171.7 | 0 | 0 | 0 | 112.8 | V246 G250 T254 F255 I256 I304 | V246-L252 HydrophobicContact CG1-CD1 4.28Å; G250-L252 PolarHBondContact O-N 2.78Å; L252-T254 PolarHBondContact O-N 3.16Å; L252-F255 PolarHBondContact O-N 3.3Å; L252-F255 VanDerWaalsContact O-N 3.13Å; L252-I256 HydrophobicContact CD2-CD1 4.28Å; L252-I256 WeakPolarHBondContact O-CA 3.02Å; L252-I256 WeakPolarHBondContact O-CB 3.43Å; L252-I256 PolarHBondContact O-N 3.26Å; L252-I304 HydrophobicContact CD1-CD1 4.42Å; L252-I304 HydrophobicContact CD1-CG1 4.36Å |
| 253 | N | 51 | Low | 57.7 | Low | 72 Ų | 72 | 51.8 Ų | 51.8 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.6 | -24.4 | 177.7 | -166 | 41.5 | 0 | 0 | 0 | 112.7 | G250 A251 P258 | G250-N253 PolarHBondContact O-N 2.87Å; A251-N253 PolarHBondContact O-N 3.43Å; N253-P258 WeakPolarHBondContact OD1-CD 3.36Å |
| 254 | T | 48.8 | Very low | 57.6 | Low | 107 Ų | 107 | 51.9 Ų | 51.9 | 66% | 0.656 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -81.2 | -22.6 | 175.3 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | A251 L252 | A251-T254 PolarHBondContact O-N 2.89Å; A251-T254 PolarHBondContact O-OG1 3.42Å; L252-T254 PolarHBondContact O-N 3.16Å |
| 255 | F | 51.4 | Low | 58.1 | Low | 161 Ų | 161 | 52.3 Ų | 52.3 | 71% | 0.706 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -102.7 | -26.3 | -179.9 | -67.3 | -73 | 0 | 0 | 0 | 113.4 | A251 L252 | A251-F255 VanDerWaalsContact O-CD2 3.31Å; A251-F255 WeakPolarHBondContact O-CD2 3.32Å; L252-F255 PolarHBondContact O-N 3.3Å; L252-F255 VanDerWaalsContact O-N 3.13Å |
| 256 | I | 53.9 | Low | 58.5 | Low | 46 Ų | 46 | 54.7 Ų | 54.7 | 24% | 0.236 | 30% | 0.3 | C | S | . | . | trans | -130.1 | 100.6 | -178.5 | -54.2 | 175.8 | 0 | 0 | 0 | 104.8 | L252 P258 Y303 | L252-I256 HydrophobicContact CD2-CD1 4.28Å; L252-I256 WeakPolarHBondContact O-CA 3.02Å; L252-I256 WeakPolarHBondContact O-CB 3.43Å; L252-I256 PolarHBondContact O-N 3.26Å; I256-P258 WeakPolarHBondContact O-CD 3.44Å; I256-P258 VanDerWaalsContact O-N 3.07Å; I256-Y303 HydrophobicContact CD1-CD2 4.24Å; I256-Y303 HydrophobicContact CD1-CG 4.13Å | ||
| 257 | L | 54.2 | Low | 58.7 | Low | 94 Ų | 94 | 55.4 Ų | 55.4 | 49% | 0.492 | 30% | 0.299 | S | S | . | . | trans | -67.5 | 102.4 | 165.2 | -92.4 | 108 | 0 | 0 | 0 | 106.9 | S156 D157 | S156-L257 WeakPolarHBondContact CA-O 3.39Å; D157-L257 PolarHBondContact N-O 3.45Å | ||
| 258 | P | 58.1 | Low | 59.1 | Low | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 140.8 | 179.5 | 28.8 | -25.5 | 0 | 0 | 0 | 107.7 | T248 N253 I256 V262 N263 | T248-P258 HydrophobicContact CG2-CB 4.27Å; T248-P258 HydrophobicContact CG2-CG 3.65Å; N253-P258 WeakPolarHBondContact OD1-CD 3.36Å; I256-P258 WeakPolarHBondContact O-CD 3.44Å; I256-P258 VanDerWaalsContact O-N 3.07Å; P258-V262 HydrophobicContact CB-CB 3.97Å; P258-V262 HydrophobicContact CB-CG1 3.72Å; P258-N263 PolarHBondContact O-ND2 2.87Å |
| 259 | S | 63.6 | Low | 60.2 | Low | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -60.2 | 159.1 | -179.2 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | F154 L155 D157 E261 V262 N263 | F154-S259 WeakPolarHBondContact O-CB 3.17Å; F154-S259 PolarHBondContact O-OG 3.11Å; L155-S259 PolarHBondContact O-N 3.48Å; L155-S259 VanDerWaalsContact O-N 3.14Å; D157-S259 VanDerWaalsContact CG-CA 3.42Å; D157-S259 VanDerWaalsContact OD1-CA 3.23Å; D157-S259 WeakPolarHBondContact OD1-CA 3.23Å; D157-S259 WeakPolarHBondContact OD1-CB 3.47Å; D157-S259 WeakPolarHBondContact OD2-CA 3.11Å; S259-E261 PolarHBondContact O-N 3.18Å; S259-E261 VanDerWaalsContact O-N 3.12Å; S259-V262 PolarHBondContact O-N 2.99Å; S259-V262 WeakPolarHBondContact OG-CG2 3.29Å; S259-V262 PolarHBondContact OG-N 3.15Å; S259-N263 PolarHBondContact O-N 3.41Å; S259-N263 PolarHBondContact O-ND2 2.98Å | ||
| 260 | V | 61.7 | Low | 61.5 | Low | 40 Ų | 40 | 53.8 Ų | 53.8 | 24% | 0.242 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -50.2 | -37 | 170.7 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | D157 Y166 T170 N263 M264 | D157-V260 PolarHBondContact OD2-N 3.39Å; D157-V260 VanDerWaalsContact OD2-N 3.14Å; Y166-V260 HydrophobicContact CD1-CG2 3.94Å; Y166-V260 HydrophobicContact CG-CG2 4.48Å; T170-V260 HydrophobicContact CG2-CB 4.47Å; T170-V260 HydrophobicContact CG2-CG1 3.46Å; T170-V260 VanDerWaalsContact CG2-CG1 3.46Å; V260-N263 WeakPolarHBondContact O-CB 3.45Å; V260-N263 PolarHBondContact O-N 3.38Å; V260-M264 HydrophobicContact CG1-CE 4.45Å; V260-M264 WeakPolarHBondContact O-CG 3.11Å; V260-M264 PolarHBondContact O-N 3.02Å |
| 261 | E | 62.8 | Low | 63 | Low | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.019 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -52.3 | 174.5 | -56.3 | -178.1 | 117.2 | 0 | 0 | 112 | L97 S153 F154 C169 R174 M199 S259 N263 M264 L265 | L97-E261 HydrophobicContact CD1-CB 4.42Å; L97-E261 VanDerWaalsContact CD1-OE2 3.24Å; L97-E261 WeakPolarHBondContact CD1-OE2 3.45Å; S153-E261 WeakPolarHBondContact CA-OE2 3.47Å; F154-E261 PolarHBondContact N-OE2 2.92Å; C169-E261 WeakPolarHBondContact O-CG 3.33Å; R174-E261 IonicContact CZ-OE1 3.51Å; R174-E261 IonicContact NH1-OE1 3.36Å; R174-E261 PolarHBondContact NH1-OE1 3.22Å; R174-E261 IonicContact NH2-OE1 3.37Å; R174-E261 PolarHBondContact NH2-OE1 3.27Å; M199-E261 WeakPolarHBondContact CE-OE1 3.15Å; M199-E261 HydrophobicContact SD-CB 3.98Å; M199-E261 HydrophobicContact SD-CG 4.35Å; S259-E261 PolarHBondContact O-N 3.18Å; S259-E261 VanDerWaalsContact O-N 3.12Å; E261-N263 PolarHBondContact O-N 2.74Å; E261-M264 HydrophobicContact CB-CE 4.45Å; E261-M264 HydrophobicContact CG-CE 4.41Å; E261-M264 PolarHBondContact O-N 3.13Å; E261-M264 VanDerWaalsContact O-N 3.13Å; E261-L265 VanDerWaalsContact O-CG 3.24Å; E261-L265 WeakPolarHBondContact O-CG 3.33Å; E261-L265 PolarHBondContact O-N 3.14Å; E261-L265 VanDerWaalsContact O-N 3.15Å |
| 262 | V | 64.5 | Low | 64.9 | Low | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.1 | -36.8 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | L97 L155 A244 P258 S259 M264 L265 | L97-V262 HydrophobicContact CD2-CG2 3.69Å; L155-V262 HydrophobicContact CD2-CG2 4.07Å; A244-V262 HydrophobicContact CB-CG1 4.08Å; A244-V262 WeakPolarHBondContact CB-O 3.41Å; P258-V262 HydrophobicContact CB-CB 3.97Å; P258-V262 HydrophobicContact CB-CG1 3.72Å; S259-V262 PolarHBondContact O-N 2.99Å; S259-V262 WeakPolarHBondContact OG-CG2 3.29Å; S259-V262 PolarHBondContact OG-N 3.15Å; V262-M264 PolarHBondContact O-N 3.3Å; V262-L265 PolarHBondContact O-N 3.26Å; V262-L265 VanDerWaalsContact O-N 3.16Å |
| 263 | N | 65.5 | Low | 66.7 | Low | 54 Ų | 54 | 52 Ų | 52 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 176.4 | -82.7 | -53.9 | 0 | 0 | 0 | 113.5 | T248 P258 S259 V260 E261 L265 K266 | T248-N263 WeakPolarHBondContact CG2-OD1 3.44Å; P258-N263 PolarHBondContact O-ND2 2.87Å; S259-N263 PolarHBondContact O-N 3.41Å; S259-N263 PolarHBondContact O-ND2 2.98Å; V260-N263 WeakPolarHBondContact O-CB 3.45Å; V260-N263 PolarHBondContact O-N 3.38Å; E261-N263 PolarHBondContact O-N 2.74Å; N263-L265 VanDerWaalsContact C-N 3.25Å; N263-L265 PolarHBondContact O-N 3.14Å; N263-K266 WeakPolarHBondContact O-CD 3.26Å; N263-K266 VanDerWaalsContact O-CG 3.25Å; N263-K266 WeakPolarHBondContact O-CG 3.3Å; N263-K266 VanDerWaalsContact OD1-CE 3.24Å; N263-K266 WeakPolarHBondContact OD1-CE 3.29Å; N263-K266 PolarHBondContact OD1-NZ 3.13Å |
| 264 | M | 64.9 | Low | 68.7 | Low | 35 Ų | 35 | 53.4 Ų | 53.4 | 17% | 0.172 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.8 | -25.3 | 174 | -68.4 | -178.4 | -65.3 | 0 | 0 | 112.4 | T170 I171 V260 E261 V262 K266 S269 L272 | T170-M264 HydrophobicContact CG2-CE 4.1Å; T170-M264 HydrophobicContact CG2-SD 4.16Å; I171-M264 HydrophobicContact CB-CE 4.34Å; I171-M264 HydrophobicContact CD1-CE 4.07Å; I171-M264 HydrophobicContact CG1-CE 3.77Å; I171-M264 HydrophobicContact CG1-SD 4.47Å; V260-M264 HydrophobicContact CG1-CE 4.45Å; V260-M264 WeakPolarHBondContact O-CG 3.11Å; V260-M264 PolarHBondContact O-N 3.02Å; E261-M264 HydrophobicContact CB-CE 4.45Å; E261-M264 HydrophobicContact CG-CE 4.41Å; E261-M264 PolarHBondContact O-N 3.13Å; E261-M264 VanDerWaalsContact O-N 3.13Å; V262-M264 PolarHBondContact O-N 3.3Å; M264-K266 PolarHBondContact O-N 3.12Å; M264-S269 PolarHBondContact O-OG 3Å; M264-L272 VanDerWaalsContact O-CD1 3.31Å; M264-L272 WeakPolarHBondContact O-CD1 3.4Å; M264-L272 WeakPolarHBondContact O-CG 3.47Å |
| 265 | L | 70.9 | Confident | 70.9 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 5.6 | -179.5 | -64.5 | 176.6 | 0 | 0 | 0 | 114.8 | M199 L202 P237 G240 S241 A244 E261 V262 N263 E267 | M199-L265 HydrophobicContact SD-CD1 4.42Å; L202-L265 HydrophobicContact CD1-CD2 3.15Å; P237-L265 HydrophobicContact CG-CD2 4.06Å; G240-L265 WeakPolarHBondContact CA-O 3.12Å; S241-L265 PolarHBondContact N-O 2.9Å; S241-L265 PolarHBondContact OG-O 3.41Å; S241-L265 VanDerWaalsContact OG-O 3.07Å; A244-L265 HydrophobicContact CB-CB 3.91Å; A244-L265 VanDerWaalsContact CB-O 3.27Å; A244-L265 WeakPolarHBondContact CB-O 3.47Å; E261-L265 VanDerWaalsContact O-CG 3.24Å; E261-L265 WeakPolarHBondContact O-CG 3.33Å; E261-L265 PolarHBondContact O-N 3.14Å; E261-L265 VanDerWaalsContact O-N 3.15Å; V262-L265 PolarHBondContact O-N 3.26Å; V262-L265 VanDerWaalsContact O-N 3.16Å; N263-L265 VanDerWaalsContact C-N 3.25Å; N263-L265 PolarHBondContact O-N 3.14Å; L265-E267 PolarHBondContact O-N 3.5Å |
| 266 | K | 69.6 | Low | 73.1 | Confident | 75 Ų | 75 | 41.3 Ų | 41.3 | 33% | 0.326 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -57.5 | 133.9 | 177.4 | -73.8 | 173.7 | -166.7 | -172 | 0 | 110.9 | A244 T248 N263 M264 G268 S269 | A244-K266 HydrophobicContact CB-CG 4.38Å; T248-K266 WeakPolarHBondContact OG1-CE 3.45Å; N263-K266 WeakPolarHBondContact O-CD 3.26Å; N263-K266 VanDerWaalsContact O-CG 3.25Å; N263-K266 WeakPolarHBondContact O-CG 3.3Å; N263-K266 VanDerWaalsContact OD1-CE 3.24Å; N263-K266 WeakPolarHBondContact OD1-CE 3.29Å; N263-K266 PolarHBondContact OD1-NZ 3.13Å; M264-K266 PolarHBondContact O-N 3.12Å; K266-G268 PolarHBondContact O-N 2.82Å; K266-S269 WeakPolarHBondContact O-CB 3.31Å; K266-S269 PolarHBondContact O-N 3.34Å; K266-S269 VanDerWaalsContact O-N 3.14Å |
| 267 | E | 66.2 | Low | 75.1 | Confident | 80 Ų | 80 | 44 Ų | 44 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 129.2 | 174.6 | -162.8 | 172 | 168.4 | 0 | 0 | 110.3 | T242 T245 L265 S269 | T242-E267 PolarHBondContact OG1-OE2 2.92Å; T245-E267 WeakPolarHBondContact OG1-CB 3.37Å; T245-E267 PolarHBondContact OG1-N 3.45Å; T245-E267 VanDerWaalsContact OG1-N 3.1Å; L265-E267 PolarHBondContact O-N 3.5Å; E267-S269 VanDerWaalsContact C-N 3.34Å |
| 268 | G | 67.2 | Low | 77.2 | Confident | 45 Ų | 45 | 40.8 Ų | 40.8 | 46% | 0.464 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 17.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L239 K266 | L239-G268 PolarHBondContact O-N 2.72Å; L239-G268 VanDerWaalsContact O-N 3.15Å; K266-G268 PolarHBondContact O-N 2.82Å |
| 269 | S | 78.5 | Confident | 79.1 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | trans | -63 | 132.8 | 173.2 | 82 | 0 | 0 | 0 | 0 | 110.1 | M264 K266 E267 Y271 L272 I273 | M264-S269 PolarHBondContact O-OG 3Å; K266-S269 WeakPolarHBondContact O-CB 3.31Å; K266-S269 PolarHBondContact O-N 3.34Å; K266-S269 VanDerWaalsContact O-N 3.14Å; E267-S269 VanDerWaalsContact C-N 3.34Å; S269-Y271 PolarHBondContact O-N 2.81Å; S269-Y271 VanDerWaalsContact O-N 3.14Å; S269-L272 PolarHBondContact O-N 2.94Å; S269-L272 WeakPolarHBondContact OG-CB 3.12Å; S269-L272 VanDerWaalsContact OG-CG 3.27Å; S269-L272 WeakPolarHBondContact OG-CG 3.35Å; S269-L272 PolarHBondContact OG-N 3.18Å; S269-I273 PolarHBondContact O-N 3.47Å; S269-I273 VanDerWaalsContact O-N 3.08Å | ||
| 270 | P | 83.8 | Confident | 80.7 | Confident | 112 Ų | 112 | 42.5 Ų | 42.5 | 73% | 0.727 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -56 | -33.5 | 179.5 | -28.3 | 35.1 | 0 | 0 | 0 | 112.8 | K274 | P270-K274 VanDerWaalsContact O-CB 3.23Å; P270-K274 WeakPolarHBondContact O-CB 3.5Å; P270-K274 PolarHBondContact O-N 3.46Å |
| 271 | Y | 86.5 | Confident | 82.5 | Confident | 59 Ų | 59 | 45.5 Ų | 45.5 | 23% | 0.231 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -48.7 | 174.9 | 171.9 | -105 | 0 | 0 | 0 | 112.5 | I171 V172 E206 S269 K274 L275 | I171-Y271 HydrophobicContact CD1-CE1 4.46Å; V172-Y271 HydrophobicContact CG2-CE2 4.2Å; E206-Y271 VanDerWaalsContact CD-OH 3.28Å; E206-Y271 PolarHBondContact OE2-OH 3.26Å; S269-Y271 PolarHBondContact O-N 2.81Å; S269-Y271 VanDerWaalsContact O-N 3.14Å; Y271-K274 PolarHBondContact O-N 2.8Å; Y271-L275 HydrophobicContact CE1-CD2 4.27Å; Y271-L275 VanDerWaalsContact O-CB 3.28Å; Y271-L275 WeakPolarHBondContact O-CB 3.42Å; Y271-L275 PolarHBondContact O-N 3.16Å |
| 272 | L | 88.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.8 | -39 | -178.7 | -72.8 | -177.6 | 0 | 0 | 0 | 112.8 | L202 G240 M264 S269 K274 L275 H276 | L202-L272 HydrophobicContact CD1-CD2 3.81Å; L202-L272 HydrophobicContact CD2-CD2 4.03Å; L202-L272 HydrophobicContact CG-CD2 4.48Å; G240-L272 VanDerWaalsContact CA-CD1 3.43Å; M264-L272 VanDerWaalsContact O-CD1 3.31Å; M264-L272 WeakPolarHBondContact O-CD1 3.4Å; M264-L272 WeakPolarHBondContact O-CG 3.47Å; S269-L272 PolarHBondContact O-N 2.94Å; S269-L272 WeakPolarHBondContact OG-CB 3.12Å; S269-L272 VanDerWaalsContact OG-CG 3.27Å; S269-L272 WeakPolarHBondContact OG-CG 3.35Å; S269-L272 PolarHBondContact OG-N 3.18Å; L272-K274 VanDerWaalsContact C-N 3.32Å; L272-L275 HydrophobicContact CD2-CD2 4.39Å; L272-L275 PolarHBondContact O-N 2.84Å; L272-H276 VanDerWaalsContact O-CB 3.29Å; L272-H276 WeakPolarHBondContact O-CB 3.43Å; L272-H276 PolarHBondContact O-N 3.31Å |
| 273 | I | 90.5 | Very high | 85.7 | Confident | 64 Ų | 64 | 45.8 Ų | 45.8 | 33% | 0.328 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.2 | -50.4 | 174.2 | -66.2 | 172 | 0 | 0 | 0 | 109 | S269 L275 H276 E277 | S269-I273 PolarHBondContact O-N 3.47Å; S269-I273 VanDerWaalsContact O-N 3.08Å; I273-L275 PolarHBondContact O-N 3.48Å; I273-H276 WeakPolarHBondContact O-CB 3.35Å; I273-H276 PolarHBondContact O-N 3.2Å; I273-E277 WeakPolarHBondContact O-CG 3.41Å; I273-E277 PolarHBondContact O-N 2.63Å |
| 274 | K | 92.8 | Very high | 87.3 | Confident | 100 Ų | 100 | 52.3 Ų | 52.3 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 179.1 | -175.9 | 53.2 | 174.2 | 159.1 | 0 | 112.5 | P270 Y271 L272 H276 E277 D278 | P270-K274 VanDerWaalsContact O-CB 3.23Å; P270-K274 WeakPolarHBondContact O-CB 3.5Å; P270-K274 PolarHBondContact O-N 3.46Å; Y271-K274 PolarHBondContact O-N 2.8Å; L272-K274 VanDerWaalsContact C-N 3.32Å; K274-H276 VanDerWaalsContact C-N 3.27Å; K274-H276 PolarHBondContact O-N 3.29Å; K274-E277 PolarHBondContact O-N 2.81Å; K274-D278 VanDerWaalsContact CE-OD1 3.24Å; K274-D278 WeakPolarHBondContact CE-OD1 3.38Å; K274-D278 WeakPolarHBondContact CE-OD2 3.5Å; K274-D278 IonicContact NZ-OD1 2.71Å; K274-D278 PolarHBondContact NZ-OD1 3.17Å; K274-D278 IonicContact NZ-OD2 2.68Å; K274-D278 WeakPolarHBondContact O-CB 3.47Å; K274-D278 PolarHBondContact O-N 2.68Å |
| 275 | L | 94.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.4 | -40.8 | 175.5 | 176.2 | 58.6 | 0 | 0 | 0 | 111.6 | L202 K205 E206 R209 Y271 L272 I273 F279 | L202-L275 HydrophobicContact CD2-CD2 4.46Å; K205-L275 HydrophobicContact CB-CD1 3.88Å; K205-L275 HydrophobicContact CB-CD2 4.26Å; K205-L275 HydrophobicContact CB-CG 4.04Å; E206-L275 HydrophobicContact CB-CD1 4.24Å; E206-L275 HydrophobicContact CB-CD2 4.4Å; E206-L275 WeakPolarHBondContact OE2-CD1 3.37Å; R209-L275 HydrophobicContact CB-CD1 4.26Å; Y271-L275 HydrophobicContact CE1-CD2 4.27Å; Y271-L275 VanDerWaalsContact O-CB 3.28Å; Y271-L275 WeakPolarHBondContact O-CB 3.42Å; Y271-L275 PolarHBondContact O-N 3.16Å; L272-L275 HydrophobicContact CD2-CD2 4.39Å; L272-L275 PolarHBondContact O-N 2.84Å; I273-L275 PolarHBondContact O-N 3.48Å; L275-F279 WeakPolarHBondContact O-CB 3.47Å; L275-F279 PolarHBondContact O-N 2.83Å |
| 276 | H | 96.3 | Very high | 90 | Very high | 14 Ų | 14 | 61.6 Ų | 61.6 | 7% | 0.065 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.5 | -47.6 | 178.3 | -175.9 | 27.6 | 0 | 0 | 0 | 111.8 | K205 L239 L272 I273 K274 F279 L280 S318 | K205-H276 PolarHBondContact NZ-ND1 3.29Å; K205-H276 VanDerWaalsContact NZ-ND1 3.11Å; L239-H276 VanDerWaalsContact CD2-CD2 3.47Å; L239-H276 WeakPolarHBondContact CD2-CD2 3.48Å; L272-H276 VanDerWaalsContact O-CB 3.29Å; L272-H276 WeakPolarHBondContact O-CB 3.43Å; L272-H276 PolarHBondContact O-N 3.31Å; I273-H276 WeakPolarHBondContact O-CB 3.35Å; I273-H276 PolarHBondContact O-N 3.2Å; K274-H276 VanDerWaalsContact C-N 3.27Å; K274-H276 PolarHBondContact O-N 3.29Å; H276-F279 PolarHBondContact O-N 3.45Å; H276-L280 WeakPolarHBondContact O-CG 3.23Å; H276-L280 PolarHBondContact O-N 2.58Å; H276-S318 PolarHBondContact CE1-OG 2.86Å; H276-S318 WeakPolarHBondContact NE2-CB 3.25Å; H276-S318 PolarHBondContact NE2-OG 2.72Å |
| 277 | E | 96.9 | Very high | 91.3 | Very high | 103 Ų | 103 | 68.8 Ų | 68.8 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 176.8 | -72.1 | 173.6 | 172.4 | 0 | 0 | 111.7 | I273 K274 F279 L280 L281 | I273-E277 WeakPolarHBondContact O-CG 3.41Å; I273-E277 PolarHBondContact O-N 2.63Å; K274-E277 PolarHBondContact O-N 2.81Å; E277-F279 VanDerWaalsContact C-N 3.31Å; E277-F279 PolarHBondContact O-N 3.35Å; E277-L280 WeakPolarHBondContact O-CB 3.46Å; E277-L280 PolarHBondContact O-N 3.09Å; E277-L280 VanDerWaalsContact O-N 3.1Å; E277-L281 PolarHBondContact O-N 2.98Å |
| 278 | D | 97.5 | Very high | 92.8 | Very high | 26 Ų | 26 | 65.1 Ų | 65.1 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 179 | -67 | -19.4 | 0 | 0 | 0 | 110.8 | R209 K274 L280 L281 I282 | R209-D278 WeakPolarHBondContact CD-OD2 2.96Å; R209-D278 HydrophobicContact CG-CB 4.05Å; R209-D278 IonicContact NH1-OD2 2.95Å; K274-D278 VanDerWaalsContact CE-OD1 3.24Å; K274-D278 WeakPolarHBondContact CE-OD1 3.38Å; K274-D278 WeakPolarHBondContact CE-OD2 3.5Å; K274-D278 IonicContact NZ-OD1 2.71Å; K274-D278 PolarHBondContact NZ-OD1 3.17Å; K274-D278 IonicContact NZ-OD2 2.68Å; K274-D278 WeakPolarHBondContact O-CB 3.47Å; K274-D278 PolarHBondContact O-N 2.68Å; D278-L280 PolarHBondContact O-N 2.84Å; D278-L281 WeakPolarHBondContact O-CB 3.15Å; D278-L281 PolarHBondContact O-N 2.83Å; D278-I282 WeakPolarHBondContact O-CG1 3.47Å; D278-I282 PolarHBondContact O-N 2.97Å |
| 279 | F | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 174.2 | 175.6 | -95.6 | 0 | 0 | 0 | 112.6 | K205 L208 F233 L275 H276 E277 L281 I282 Q283 V319 | K205-F279 HydrophobicContact CB-CB 4.26Å; K205-F279 HydrophobicContact CB-CD2 4.13Å; K205-F279 HydrophobicContact CB-CG 4.31Å; K205-F279 HydrophobicContact CD-CB 3.84Å; K205-F279 HydrophobicContact CD-CD1 3.97Å; K205-F279 HydrophobicContact CD-CD2 4.22Å; K205-F279 HydrophobicContact CD-CG 3.72Å; K205-F279 HydrophobicContact CG-CB 3.99Å; K205-F279 HydrophobicContact CG-CD1 4.19Å; K205-F279 HydrophobicContact CG-CD2 3.58Å; K205-F279 HydrophobicContact CG-CE2 4.05Å; K205-F279 HydrophobicContact CG-CG 3.63Å; L208-F279 HydrophobicContact CD1-CD2 4.41Å; L208-F279 HydrophobicContact CD1-CE2 3.93Å; F233-F279 HydrophobicContact CE2-CE1 4.23Å; F233-F279 HydrophobicContact CE2-CZ 4.04Å; F233-F279 HydrophobicContact CZ-CE1 4.28Å; F233-F279 HydrophobicContact CZ-CE2 4.44Å; F233-F279 AromaticContact CZ-CZ 3.83Å; F233-F279 HydrophobicContact CZ-CZ 3.83Å; L275-F279 WeakPolarHBondContact O-CB 3.47Å; L275-F279 PolarHBondContact O-N 2.83Å; H276-F279 PolarHBondContact O-N 3.45Å; E277-F279 VanDerWaalsContact C-N 3.31Å; E277-F279 PolarHBondContact O-N 3.35Å; F279-L281 VanDerWaalsContact C-N 3.29Å; F279-L281 PolarHBondContact O-N 3Å; F279-I282 PolarHBondContact O-N 3.04Å; F279-Q283 HydrophobicContact CE1-CB 4.27Å; F279-Q283 VanDerWaalsContact O-CB 3.3Å; F279-Q283 WeakPolarHBondContact O-CB 3.25Å; F279-Q283 PolarHBondContact O-N 3.09Å; F279-V319 HydrophobicContact CE1-CG1 4Å; F279-V319 HydrophobicContact CE1-CG2 4.19Å |
| 280 | L | 98.3 | Very high | 95.3 | Very high | 42 Ų | 42 | 64 Ų | 64 | 22% | 0.22 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -36 | 177.5 | -69.5 | -178.1 | 0 | 0 | 0 | 111.9 | H276 E277 D278 R284 P320 | H276-L280 WeakPolarHBondContact O-CG 3.23Å; H276-L280 PolarHBondContact O-N 2.58Å; E277-L280 WeakPolarHBondContact O-CB 3.46Å; E277-L280 PolarHBondContact O-N 3.09Å; E277-L280 VanDerWaalsContact O-N 3.1Å; D278-L280 PolarHBondContact O-N 2.84Å; L280-R284 WeakPolarHBondContact O-CB 3.44Å; L280-R284 PolarHBondContact O-N 2.82Å; L280-P320 HydrophobicContact CD2-CG 4.14Å |
| 281 | L | 98.1 | Very high | 96 | Very high | 103 Ų | 103 | 58.7 Ų | 58.7 | 54% | 0.539 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 172.9 | -67 | 174 | 0 | 0 | 0 | 111.2 | E277 D278 F279 R284 R285 | E277-L281 PolarHBondContact O-N 2.98Å; D278-L281 WeakPolarHBondContact O-CB 3.15Å; D278-L281 PolarHBondContact O-N 2.83Å; F279-L281 VanDerWaalsContact C-N 3.29Å; F279-L281 PolarHBondContact O-N 3Å; L281-R284 PolarHBondContact O-N 2.94Å; L281-R285 VanDerWaalsContact O-CB 3.3Å; L281-R285 WeakPolarHBondContact O-CB 3.26Å; L281-R285 PolarHBondContact O-N 3.14Å |
| 282 | I | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 175.9 | -66.7 | 165.4 | 0 | 0 | 0 | 110.4 | R209 D212 L225 D278 F279 R284 R285 R286 I288 | R209-I282 HydrophobicContact CB-CD1 4.27Å; D212-I282 HydrophobicContact CB-CD1 3.98Å; D212-I282 HydrophobicContact CB-CG1 4.38Å; L225-I282 HydrophobicContact CD1-CG2 3.79Å; D278-I282 WeakPolarHBondContact O-CG1 3.47Å; D278-I282 PolarHBondContact O-N 2.97Å; F279-I282 PolarHBondContact O-N 3.04Å; I282-R284 VanDerWaalsContact C-N 3.33Å; I282-R284 PolarHBondContact O-N 3.31Å; I282-R285 PolarHBondContact O-N 2.83Å; I282-R286 HydrophobicContact CG2-CG 4.16Å; I282-R286 VanDerWaalsContact O-CB 3.26Å; I282-R286 WeakPolarHBondContact O-CB 3.45Å; I282-R286 WeakPolarHBondContact O-CG 3.34Å; I282-R286 PolarHBondContact O-N 2.89Å; I282-I288 HydrophobicContact CG2-CD1 4.04Å |
| 283 | Q | 98 | Very high | 97 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.5 | -48.7 | 179.3 | -175 | -164.9 | -4.2 | 0 | 0 | 111.1 | F279 R287 I288 C290 P320 | F279-Q283 HydrophobicContact CE1-CB 4.27Å; F279-Q283 VanDerWaalsContact O-CB 3.3Å; F279-Q283 WeakPolarHBondContact O-CB 3.25Å; F279-Q283 PolarHBondContact O-N 3.09Å; Q283-R287 CarbonylContact O-C 3.6Å; Q283-R287 VanDerWaalsContact O-CA 3.26Å; Q283-R287 WeakPolarHBondContact O-CA 3.45Å; Q283-R287 PolarHBondContact O-N 2.86Å; Q283-I288 HydrophobicContact CG-CB 4.13Å; Q283-I288 VanDerWaalsContact CG-O 3.24Å; Q283-I288 WeakPolarHBondContact CG-O 3.29Å; Q283-I288 PolarHBondContact NE2-O 3.37Å; Q283-I288 PolarHBondContact O-N 2.98Å; Q283-C290 PolarHBondContact NE2-SG 3.02Å; Q283-P320 PolarHBondContact NE2-O 3.15Å |
| 284 | R | 97.7 | Very high | 97.4 | Very high | 191 Ų | 191 | 52.9 Ų | 52.9 | 72% | 0.721 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -65.7 | -49.2 | 179.4 | -173 | -175.5 | -63.3 | 151 | 1.1 | 111.7 | L280 L281 I282 R286 R287 | L280-R284 WeakPolarHBondContact O-CB 3.44Å; L280-R284 PolarHBondContact O-N 2.82Å; L281-R284 PolarHBondContact O-N 2.94Å; I282-R284 VanDerWaalsContact C-N 3.33Å; I282-R284 PolarHBondContact O-N 3.31Å; R284-R286 VanDerWaalsContact C-N 3.28Å; R284-R286 PolarHBondContact O-N 3.45Å; R284-R287 PolarHBondContact O-N 3.25Å |
| 285 | R | 97.1 | Very high | 97.5 | Very high | 145 Ų | 145 | 48.3 Ų | 48.3 | 55% | 0.547 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.2 | -36.6 | -178.5 | -174.9 | -179.6 | 60.8 | -162.2 | -11.9 | 111.9 | D212 L281 I282 | D212-R285 IonicContact OD1-CZ 3.9Å; D212-R285 IonicContact OD1-NH1 3.77Å; D212-R285 IonicContact OD1-NH2 2.76Å; D212-R285 PolarHBondContact OD1-NH2 3.16Å; D212-R285 IonicContact OD2-CZ 3.74Å; D212-R285 IonicContact OD2-NH1 3.11Å; D212-R285 PolarHBondContact OD2-NH1 3.49Å; D212-R285 IonicContact OD2-NH2 3.16Å; D212-R285 PolarHBondContact OD2-NH2 2.87Å; L281-R285 VanDerWaalsContact O-CB 3.3Å; L281-R285 WeakPolarHBondContact O-CB 3.26Å; L281-R285 PolarHBondContact O-N 3.14Å; I282-R285 PolarHBondContact O-N 2.83Å |
| 286 | R | 95.7 | Very high | 97.5 | Very high | 93 Ų | 93 | 51.1 Ų | 51.1 | 35% | 0.351 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -99.1 | -2.6 | -176.1 | -58.8 | -58.3 | -60 | -124 | 8.2 | 114.2 | K226 I282 R284 I288 | K226-R286 PolarHBondContact O-NH2 2.92Å; I282-R286 HydrophobicContact CG2-CG 4.16Å; I282-R286 VanDerWaalsContact O-CB 3.26Å; I282-R286 WeakPolarHBondContact O-CB 3.45Å; I282-R286 WeakPolarHBondContact O-CG 3.34Å; I282-R286 PolarHBondContact O-N 2.89Å; R284-R286 VanDerWaalsContact C-N 3.28Å; R284-R286 PolarHBondContact O-N 3.45Å; R286-I288 VanDerWaalsContact C-N 3.27Å; R286-I288 HydrophobicContact CB-CD1 4.04Å; R286-I288 HydrophobicContact CB-CG1 3.85Å; R286-I288 PolarHBondContact O-N 3.02Å |
| 287 | R | 96.7 | Very high | 97.4 | Very high | 227 Ų | 227 | 53.1 Ų | 53.1 | 86% | 0.857 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 42.6 | -175.2 | -57.4 | -179.3 | 178.2 | 175.1 | -1 | 112.9 | Q283 R284 A289 | Q283-R287 CarbonylContact O-C 3.6Å; Q283-R287 VanDerWaalsContact O-CA 3.26Å; Q283-R287 WeakPolarHBondContact O-CA 3.45Å; Q283-R287 PolarHBondContact O-N 2.86Å; R284-R287 PolarHBondContact O-N 3.25Å; R287-A289 PolarHBondContact O-N 3.38Å |
| 288 | I | 98.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | trans | -71.2 | 115.9 | 178.6 | -62.7 | 168 | 0 | 0 | 0 | 108.7 | T228 I229 I282 Q283 R286 | T228-I288 HydrophobicContact CG2-CD1 3.92Å; T228-I288 HydrophobicContact CG2-CG1 4.25Å; T228-I288 HydrophobicContact CG2-CG2 4.27Å; I229-I288 WeakPolarHBondContact O-CA 3.23Å; I282-I288 HydrophobicContact CG2-CD1 4.04Å; Q283-I288 HydrophobicContact CG-CB 4.13Å; Q283-I288 VanDerWaalsContact CG-O 3.24Å; Q283-I288 WeakPolarHBondContact CG-O 3.29Å; Q283-I288 PolarHBondContact NE2-O 3.37Å; Q283-I288 PolarHBondContact O-N 2.98Å; R286-I288 VanDerWaalsContact C-N 3.27Å; R286-I288 HydrophobicContact CB-CD1 4.04Å; R286-I288 HydrophobicContact CB-CG1 3.85Å; R286-I288 PolarHBondContact O-N 3.02Å | ||
| 289 | A | 98.5 | Very high | 96.6 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 29% | 0.289 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 137.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I229 A230 C231 R287 F350 V354 | I229-A289 PolarHBondContact O-N 2.86Å; A230-A289 CarbonylContact C-O 3.58Å; A230-A289 WeakPolarHBondContact CA-O 3.32Å; A230-A289 HydrophobicContact CB-CB 4.11Å; A230-A289 WeakPolarHBondContact CB-O 3.48Å; C231-A289 PolarHBondContact N-O 2.88Å; R287-A289 PolarHBondContact O-N 3.38Å; A289-F350 HydrophobicContact CB-CE2 4.03Å; A289-F350 HydrophobicContact CB-CZ 3.81Å; A289-V354 HydrophobicContact CB-CG2 3.77Å |
| 290 | C | 98.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.3 | -179.3 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | C231 Q283 V319 G321 P322 | C231-C290 CarbonylContact O-C 3.59Å; C231-C290 VanDerWaalsContact O-CA 3.23Å; C231-C290 WeakPolarHBondContact O-CA 3.47Å; Q283-C290 PolarHBondContact NE2-SG 3.02Å; C290-V319 HydrophobicContact CB-CG1 3.52Å; C290-G321 WeakPolarHBondContact O-CA 3.45Å; C290-P322 WeakPolarHBondContact O-CD 3.35Å |
| 291 | L | 98.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.8 | 173.5 | 171.6 | 65.8 | 0 | 0 | 0 | 108.8 | C231 V232 F233 F293 P322 Y324 V347 F350 | C231-L291 PolarHBondContact O-N 3.43Å; V232-L291 CarbonylContact C-O 3.58Å; V232-L291 WeakPolarHBondContact CA-O 3.37Å; V232-L291 HydrophobicContact CG1-CB 4.45Å; V232-L291 HydrophobicContact CG1-CD2 4.14Å; V232-L291 HydrophobicContact CG1-CG 4.35Å; V232-L291 HydrophobicContact CG2-CB 4.29Å; V232-L291 HydrophobicContact CG2-CD2 4.37Å; F233-L291 PolarHBondContact N-O 3.15Å; L291-F293 HydrophobicContact CD2-CE2 3.65Å; L291-F293 HydrophobicContact CD2-CZ 3.77Å; L291-F293 HydrophobicContact CG-CE2 3.85Å; L291-F293 HydrophobicContact CG-CZ 4.19Å; L291-P322 HydrophobicContact CD1-CB 3.95Å; L291-Y324 HydrophobicContact CD1-CD2 3.59Å; L291-Y324 HydrophobicContact CD1-CE2 3.65Å; L291-V347 HydrophobicContact CD2-CG2 4.2Å; L291-F350 HydrophobicContact CB-CD1 4.01Å; L291-F350 HydrophobicContact CB-CD2 3.92Å; L291-F350 HydrophobicContact CB-CE1 4.03Å; L291-F350 HydrophobicContact CB-CE2 3.93Å; L291-F350 HydrophobicContact CB-CG 3.95Å; L291-F350 HydrophobicContact CB-CZ 3.99Å; L291-F350 HydrophobicContact CD2-CB 3.75Å; L291-F350 HydrophobicContact CD2-CD1 4.11Å; L291-F350 HydrophobicContact CD2-CD2 4.47Å; L291-F350 HydrophobicContact CD2-CG 3.87Å; L291-F350 HydrophobicContact CG-CG 4.47Å |
| 292 | S | 98.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139.1 | -177.2 | -56 | 0 | 0 | 0 | 0 | 112 | F233 P322 V323 Y324 | F233-S292 CarbonylContact O-C 3.56Å; F233-S292 WeakPolarHBondContact O-CA 3.33Å; S292-P322 PolarHBondContact N-O 3.17Å; S292-V323 CarbonylContact O-C 3.58Å; S292-V323 WeakPolarHBondContact O-CA 3.46Å; S292-Y324 PolarHBondContact O-N 3.35Å |
| 293 | F | 98.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.1 | 172.7 | -62.7 | -89.9 | 0 | 0 | 0 | 110.6 | V232 F233 Y234 G235 L291 Y324 L326 S343 A346 V347 | V232-F293 HydrophobicContact CG1-CD2 4.17Å; V232-F293 HydrophobicContact CG1-CE2 3.74Å; F233-F293 PolarHBondContact O-N 3.48Å; Y234-F293 HydrophobicContact CD1-CB 3.7Å; Y234-F293 HydrophobicContact CD1-CD1 4.47Å; Y234-F293 AromaticContact CD1-CD2 3.4Å; Y234-F293 HydrophobicContact CD1-CD2 3.4Å; Y234-F293 VanDerWaalsContact CD1-CD2 3.4Å; Y234-F293 HydrophobicContact CD1-CE2 4.1Å; Y234-F293 AromaticContact CD1-CG 3.61Å; Y234-F293 HydrophobicContact CD1-CG 3.61Å; Y234-F293 HydrophobicContact CD2-CD2 4.42Å; Y234-F293 HydrophobicContact CE1-CB 4.24Å; Y234-F293 HydrophobicContact CE1-CD1 4.17Å; Y234-F293 AromaticContact CE1-CD2 3.33Å; Y234-F293 HydrophobicContact CE1-CD2 3.33Å; Y234-F293 HydrophobicContact CE1-CE1 4.36Å; Y234-F293 AromaticContact CE1-CE2 3.56Å; Y234-F293 HydrophobicContact CE1-CE2 3.56Å; Y234-F293 AromaticContact CE1-CG 3.65Å; Y234-F293 HydrophobicContact CE1-CG 3.65Å; Y234-F293 HydrophobicContact CE1-CZ 4.07Å; Y234-F293 HydrophobicContact CE2-CD2 4.36Å; Y234-F293 HydrophobicContact CE2-CE2 4.3Å; Y234-F293 HydrophobicContact CG-CB 4.48Å; Y234-F293 AromaticContact CG-CD2 3.99Å; Y234-F293 HydrophobicContact CG-CD2 3.99Å; Y234-F293 AromaticContact CZ-CD2 3.86Å; Y234-F293 AromaticContact CZ-CE2 3.69Å; G235-F293 WeakPolarHBondContact CA-O 3.48Å; G235-F293 PolarHBondContact N-O 3.22Å; L291-F293 HydrophobicContact CD2-CE2 3.65Å; L291-F293 HydrophobicContact CD2-CZ 3.77Å; L291-F293 HydrophobicContact CG-CE2 3.85Å; L291-F293 HydrophobicContact CG-CZ 4.19Å; F293-Y324 CarbonylContact C-O 3.58Å; F293-Y324 WeakPolarHBondContact CA-O 3.26Å; F293-Y324 HydrophobicContact CD1-CG 4.32Å; F293-Y324 HydrophobicContact CE1-CD2 4.32Å; F293-Y324 HydrophobicContact CE1-CG 4.04Å; F293-L326 HydrophobicContact CB-CD1 4.22Å; F293-L326 HydrophobicContact CD1-CD1 3.65Å; F293-L326 HydrophobicContact CD1-CD2 4.23Å; F293-L326 HydrophobicContact CD1-CG 3.98Å; F293-L326 HydrophobicContact CE1-CD1 4.43Å; F293-L326 HydrophobicContact CG-CD1 4.27Å; F293-S343 WeakPolarHBondContact CZ-O 3.38Å; F293-A346 HydrophobicContact CE1-CB 3.89Å; F293-A346 HydrophobicContact CZ-CB 3.77Å; F293-V347 HydrophobicContact CE2-CG2 3.71Å; F293-V347 HydrophobicContact CZ-CG2 3.81Å |
| 294 | V | 97.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.2 | -177.1 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | E313 A316 V323 Y324 L326 | V294-E313 HydrophobicContact CG1-CB 3.86Å; V294-E313 HydrophobicContact CG1-CG 3.95Å; V294-A316 HydrophobicContact CB-CB 4.44Å; V294-A316 HydrophobicContact CG1-CB 4.34Å; V294-A316 HydrophobicContact CG2-CB 3.87Å; V294-V323 HydrophobicContact CG2-CG1 3.63Å; V294-Y324 PolarHBondContact N-O 2.89Å; V294-L326 PolarHBondContact O-N 3.27Å |
| 295 | E | 95.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.019 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 144.4 | 169.9 | 48.5 | 169.9 | 160.5 | 0 | 0 | 112.1 | M309 L310 V311 E328 H330 L333 | E295-M309 HydrophobicContact CB-SD 4.15Å; E295-M309 HydrophobicContact CG-SD 3.47Å; E295-M309 WeakPolarHBondContact CG-SD 3.46Å; E295-L310 WeakPolarHBondContact OE1-CA 3.16Å; E295-L310 WeakPolarHBondContact OE1-CB 3.24Å; E295-L310 PolarHBondContact OE1-N 2.89Å; E295-L310 VanDerWaalsContact OE1-N 3.14Å; E295-V311 PolarHBondContact OE1-N 3.4Å; E295-E328 WeakPolarHBondContact CB-O 3.42Å; E295-H330 IonicContact OE1-CE1 3.93Å; E295-H330 IonicContact OE1-CG 2.67Å; E295-H330 IonicContact OE1-ND1 3.99Å; E295-H330 PolarHBondContact OE1-ND1 2.78Å; E295-H330 VanDerWaalsContact OE2-CA 3.22Å; E295-H330 WeakPolarHBondContact OE2-CA 3.4Å; E295-H330 WeakPolarHBondContact OE2-CB 3.36Å; E295-H330 IonicContact OE2-CG 3.96Å; E295-H330 PolarHBondContact OE2-N 3.43Å; E295-H330 IonicContact OE2-ND1 2.69Å; E295-L333 HydrophobicContact CB-CD1 4.01Å; E295-L333 HydrophobicContact CB-CD2 4.01Å; E295-L333 HydrophobicContact CB-CG 4.26Å; E295-L333 HydrophobicContact CG-CD1 4.42Å |
| 296 | T | 94.8 | Very high | 87.5 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 37% | 0.368 | 31% | 0.312 | S | S | . | . | trans | -125 | -5.4 | 176.4 | 63.3 | 0 | 0 | 0 | 0 | 112.7 | R325 L326 K327 E328 | T296-R325 HydrophobicContact CG2-CB 4.04Å; T296-L326 WeakPolarHBondContact CB-O 3.36Å; T296-L326 PolarHBondContact N-O 3.49Å; T296-L326 VanDerWaalsContact N-O 3.17Å; T296-L326 PolarHBondContact OG1-O 2.99Å; T296-K327 VanDerWaalsContact OG1-CA 3.29Å; T296-K327 WeakPolarHBondContact OG1-CA 3.21Å; T296-E328 PolarHBondContact N-O 3.33Å | ||
| 297 | I | 94.2 | Very high | 86.9 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 29% | 0.292 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -108.4 | 118.8 | 173.4 | -56.6 | -178 | 0 | 0 | 0 | 109.8 | K327 E328 R329 | I297-K327 HydrophobicContact CD1-CG 3.93Å; I297-K327 VanDerWaalsContact CD1-O 3.31Å; I297-K327 WeakPolarHBondContact CD1-O 3.27Å; I297-K327 HydrophobicContact CG1-CG 4.27Å; I297-E328 PolarHBondContact N-O 2.97Å; I297-E328 VanDerWaalsContact N-O 3.09Å; I297-R329 HydrophobicContact CB-CG 3.97Å; I297-R329 HydrophobicContact CG2-CG 3.69Å; I297-R329 WeakPolarHBondContact O-CA 3.31Å |
| 298 | P | 91.3 | Very high | 86.2 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 140.1 | 172.9 | -29.9 | 38.3 | 0 | 0 | 0 | 113.5 | N307 M309 | P298-N307 HydrophobicContact CB-CB 3.52Å; P298-M309 HydrophobicContact CG-CE 4.13Å |
| 299 | T | 86.9 | Confident | 85.7 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.8 | 179.3 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | V301 V308 L310 H330 F331 | T299-V301 PolarHBondContact O-N 3.2Å; T299-V308 PolarHBondContact N-O 3.03Å; T299-V308 PolarHBondContact O-N 2.91Å; T299-L310 HydrophobicContact CG2-CD1 4.43Å; T299-H330 PolarHBondContact OG1-N 3.31Å; T299-F331 HydrophobicContact CG2-CD2 3.91Å; T299-F331 HydrophobicContact CG2-CE2 3.82Å |
| 300 | K | 82.8 | Confident | 85.1 | Confident | 143 Ų | 143 | 57.9 Ų | 57.9 | 62% | 0.622 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 116.9 | 170.6 | -170.3 | 177 | -177 | 179.4 | 0 | 109.6 | N307 | K300-N307 WeakPolarHBondContact CB-OD1 3.2Å |
| 301 | V | 72.5 | Confident | 84.7 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 125.3 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | L243 T299 Y303 I304 L310 | L243-V301 HydrophobicContact CD1-CG2 4.44Å; T299-V301 PolarHBondContact O-N 3.2Å; V301-Y303 PolarHBondContact O-N 2.86Å; V301-I304 HydrophobicContact CB-CB 4.19Å; V301-I304 HydrophobicContact CB-CD1 4.25Å; V301-I304 HydrophobicContact CB-CG1 4.32Å; V301-I304 HydrophobicContact CG1-CD1 4.08Å; V301-I304 HydrophobicContact CG1-CG1 4.15Å; V301-I304 PolarHBondContact O-N 3.38Å; V301-L310 HydrophobicContact CG2-CD2 4.04Å |
| 302 | A | 67.9 | Low | 84.3 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 78% | 0.777 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -32.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 303 | Y | 65.4 | Low | 84 | Confident | 169 Ų | 169 | 62.8 Ų | 62.8 | 66% | 0.663 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -5.1 | -177.5 | -50.3 | -69.8 | 0 | 0 | 0 | 114.1 | I256 V301 | I256-Y303 HydrophobicContact CD1-CD2 4.24Å; I256-Y303 HydrophobicContact CD1-CG 4.13Å; V301-Y303 PolarHBondContact O-N 2.86Å |
| 304 | I | 65 | Low | 83.8 | Confident | 21 Ų | 21 | 67.6 Ų | 67.6 | 11% | 0.108 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -116 | 122.1 | -178.8 | -55.6 | 177.1 | 0 | 0 | 0 | 107.2 | L243 L252 V301 W306 V308 | L243-I304 HydrophobicContact CD1-CD1 3.62Å; L252-I304 HydrophobicContact CD1-CD1 4.42Å; L252-I304 HydrophobicContact CD1-CG1 4.36Å; V301-I304 HydrophobicContact CB-CB 4.19Å; V301-I304 HydrophobicContact CB-CD1 4.25Å; V301-I304 HydrophobicContact CB-CG1 4.32Å; V301-I304 HydrophobicContact CG1-CD1 4.08Å; V301-I304 HydrophobicContact CG1-CG1 4.15Å; V301-I304 PolarHBondContact O-N 3.38Å; I304-W306 HydrophobicContact CG2-CB 4.44Å; I304-W306 HydrophobicContact CG2-CG 4.44Å; I304-W306 PolarHBondContact O-N 3.07Å; I304-W306 VanDerWaalsContact O-N 3.09Å; I304-V308 HydrophobicContact CG2-CG2 4.24Å |
| 305 | K | 68.1 | Low | 83.6 | Confident | 199 Ų | 199 | 67.7 Ų | 67.7 | 87% | 0.865 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -66 | -11.7 | -176.7 | -71.6 | -172.7 | 177.9 | -179.6 | 0 | 114.1 | ||
| 306 | W | 72.6 | Confident | 83.6 | Confident | 200 Ų | 200 | 67.5 Ų | 67.5 | 76% | 0.758 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -109.4 | 151.6 | -177.5 | -27.9 | 95.1 | 0 | 0 | 0 | 110.7 | I304 | I304-W306 HydrophobicContact CG2-CB 4.44Å; I304-W306 HydrophobicContact CG2-CG 4.44Å; I304-W306 PolarHBondContact O-N 3.07Å; I304-W306 VanDerWaalsContact O-N 3.09Å |
| 307 | N | 82.6 | Confident | 83.7 | Confident | 93 Ų | 93 | 65.7 Ų | 65.7 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 136.4 | 170.5 | -56.6 | -33 | 0 | 0 | 0 | 109.2 | P298 K300 | P298-N307 HydrophobicContact CB-CB 3.52Å; K300-N307 WeakPolarHBondContact CB-OD1 3.2Å |
| 308 | V | 82.1 | Confident | 83.8 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 13% | 0.127 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.2 | -176.6 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | L243 T299 I304 L310 | L243-V308 HydrophobicContact CB-CG1 4.49Å; T299-V308 PolarHBondContact N-O 3.03Å; T299-V308 PolarHBondContact O-N 2.91Å; I304-V308 HydrophobicContact CG2-CG2 4.24Å; V308-L310 HydrophobicContact CB-CD2 4.46Å; V308-L310 HydrophobicContact CG1-CD2 4.45Å; V308-L310 PolarHBondContact O-N 2.75Å |
| 309 | M | 88.2 | Confident | 84.1 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 26% | 0.256 | 31% | 0.313 | S | S | . | . | trans | -71.3 | 113.7 | 164.4 | -168.5 | 60.5 | 76.4 | 0 | 0 | 107.6 | E295 P298 V311 | E295-M309 HydrophobicContact CB-SD 4.15Å; E295-M309 HydrophobicContact CG-SD 3.47Å; E295-M309 WeakPolarHBondContact CG-SD 3.46Å; P298-M309 HydrophobicContact CG-CE 4.13Å; M309-V311 VanDerWaalsContact C-N 3.31Å; M309-V311 VanDerWaalsContact CG-O 3.31Å; M309-V311 WeakPolarHBondContact CG-O 3.36Å; M309-V311 PolarHBondContact O-N 3.29Å | ||
| 310 | L | 86.2 | Confident | 84.6 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -69.6 | -37.4 | -173 | -60.5 | -166.3 | 0 | 0 | 0 | 110.3 | S241 L243 E295 T299 V301 V308 H330 F331 | S241-L310 VanDerWaalsContact CB-O 3.25Å; S241-L310 WeakPolarHBondContact CB-O 3.33Å; L243-L310 HydrophobicContact CB-CD2 4.18Å; L243-L310 HydrophobicContact CD2-CD2 3.75Å; L243-L310 HydrophobicContact CG-CD2 4.41Å; E295-L310 WeakPolarHBondContact OE1-CA 3.16Å; E295-L310 WeakPolarHBondContact OE1-CB 3.24Å; E295-L310 PolarHBondContact OE1-N 2.89Å; E295-L310 VanDerWaalsContact OE1-N 3.14Å; T299-L310 HydrophobicContact CG2-CD1 4.43Å; V301-L310 HydrophobicContact CG2-CD2 4.04Å; V308-L310 HydrophobicContact CB-CD2 4.46Å; V308-L310 HydrophobicContact CG1-CD2 4.45Å; V308-L310 PolarHBondContact O-N 2.75Å; L310-H330 HydrophobicContact CB-CB 4.16Å; L310-H330 HydrophobicContact CD1-CB 3.64Å; L310-H330 HydrophobicContact CG-CB 4.01Å; L310-F331 HydrophobicContact CD1-CE2 3.86Å; L310-F331 HydrophobicContact CD1-CZ 3.87Å |
| 311 | V | 90 | Very high | 85.3 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -130.7 | 123.5 | 176.4 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | G235 P237 E295 M309 A316 H330 | G235-V311 WeakPolarHBondContact O-CG2 3Å; P237-V311 HydrophobicContact CB-CG1 3.94Å; P237-V311 HydrophobicContact CB-CG2 3.77Å; P237-V311 HydrophobicContact CG-CG2 4.23Å; E295-V311 PolarHBondContact OE1-N 3.4Å; M309-V311 VanDerWaalsContact C-N 3.31Å; M309-V311 VanDerWaalsContact CG-O 3.31Å; M309-V311 WeakPolarHBondContact CG-O 3.36Å; M309-V311 PolarHBondContact O-N 3.29Å; V311-A316 HydrophobicContact CG1-CB 3.8Å; V311-H330 VanDerWaalsContact CG2-CE1 3.48Å; V311-H330 WeakPolarHBondContact CG2-CE1 3.48Å |
| 312 | A | 90.7 | Very high | 86.5 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 17% | 0.165 | 34% | 0.339 | C | S | . | . | trans | -64.5 | 147.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N314 S315 A316 | A312-N314 VanDerWaalsContact C-N 3.31Å; A312-N314 WeakPolarHBondContact CB-OD1 3.44Å; A312-N314 PolarHBondContact O-N 3.19Å; A312-S315 WeakPolarHBondContact O-CA 3.5Å; A312-S315 WeakPolarHBondContact O-CB 3.31Å; A312-S315 PolarHBondContact O-N 3.3Å; A312-A316 PolarHBondContact O-N 3.31Å | ||
| 313 | E | 93.1 | Very high | 87.9 | Confident | 87 Ų | 87 | 60.7 Ų | 60.7 | 41% | 0.407 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.6 | -41.6 | -176.4 | 171.8 | 170.5 | 165.4 | 0 | 0 | 112.8 | V294 S315 A316 G317 R325 | V294-E313 HydrophobicContact CG1-CB 3.86Å; V294-E313 HydrophobicContact CG1-CG 3.95Å; E313-S315 PolarHBondContact O-N 2.91Å; E313-A316 PolarHBondContact O-N 2.66Å; E313-G317 PolarHBondContact O-N 3.13Å; E313-R325 IonicContact OE1-CZ 3.01Å; E313-R325 IonicContact OE1-NE 3.46Å; E313-R325 PolarHBondContact OE1-NE 2.86Å; E313-R325 IonicContact OE1-NH2 3.58Å; E313-R325 PolarHBondContact OE1-NH2 2.85Å; E313-R325 IonicContact OE2-NE 3.48Å |
| 314 | N | 92.4 | Very high | 89.5 | Confident | 101 Ų | 101 | 56.8 Ų | 56.8 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -25 | 176 | 65.9 | -22.4 | 0 | 0 | 0 | 113 | A312 S318 | A312-N314 VanDerWaalsContact C-N 3.31Å; A312-N314 WeakPolarHBondContact CB-OD1 3.44Å; A312-N314 PolarHBondContact O-N 3.19Å; N314-S318 VanDerWaalsContact O-CB 3.29Å; N314-S318 WeakPolarHBondContact O-CB 3.22Å |
| 315 | S | 93.7 | Very high | 91 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -85.3 | -45.5 | 176.7 | -176.1 | 0 | 0 | 0 | 0 | 111 | P237 H238 L239 G240 A312 E313 S318 | P237-S315 VanDerWaalsContact C-OG 3.31Å; P237-S315 WeakPolarHBondContact CA-OG 3.27Å; H238-S315 VanDerWaalsContact CB-O 3.27Å; H238-S315 WeakPolarHBondContact CB-O 3.11Å; H238-S315 PolarHBondContact CD2-O 3.47Å; H238-S315 PolarHBondContact N-OG 3.16Å; L239-S315 PolarHBondContact N-OG 3.49Å; G240-S315 PolarHBondContact O-OG 3.3Å; A312-S315 WeakPolarHBondContact O-CA 3.5Å; A312-S315 WeakPolarHBondContact O-CB 3.31Å; A312-S315 PolarHBondContact O-N 3.3Å; E313-S315 PolarHBondContact O-N 2.91Å; S315-S318 PolarHBondContact O-OG 3.14Å |
| 316 | A | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.4 | -32.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T236 V294 V311 A312 E313 | T236-A316 WeakPolarHBondContact O-CA 3.41Å; V294-A316 HydrophobicContact CB-CB 4.44Å; V294-A316 HydrophobicContact CG1-CB 4.34Å; V294-A316 HydrophobicContact CG2-CB 3.87Å; V311-A316 HydrophobicContact CG1-CB 3.8Å; A312-A316 PolarHBondContact O-N 3.31Å; E313-A316 PolarHBondContact O-N 2.66Å |
| 317 | G | 96.4 | Very high | 93.4 | Very high | 23 Ų | 23 | 52.9 Ų | 52.9 | 24% | 0.237 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 11.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E313 V319 | E313-G317 PolarHBondContact O-N 3.13Å; G317-V319 VanDerWaalsContact C-N 3.3Å; G317-V319 PolarHBondContact O-N 3.1Å |
| 318 | S | 96.3 | Very high | 94 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 22% | 0.217 | 27% | 0.271 | C | S | . | . | trans | -74.7 | -14.8 | -171.7 | 74.9 | 0 | 0 | 0 | 0 | 114.9 | H238 H276 N314 S315 | H238-S318 WeakPolarHBondContact CB-OG 3.46Å; H276-S318 PolarHBondContact CE1-OG 2.86Å; H276-S318 WeakPolarHBondContact NE2-CB 3.25Å; H276-S318 PolarHBondContact NE2-OG 2.72Å; N314-S318 VanDerWaalsContact O-CB 3.29Å; N314-S318 WeakPolarHBondContact O-CB 3.22Å; S315-S318 PolarHBondContact O-OG 3.14Å | ||
| 319 | V | 97.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -84.6 | 126.1 | -180 | 175.1 | 0 | 0 | 0 | 0 | 109.7 | K205 F233 H238 F279 C290 G317 G321 | K205-V319 VanDerWaalsContact NZ-CG2 3.3Å; F233-V319 HydrophobicContact CE2-CG1 4.3Å; F233-V319 HydrophobicContact CE2-CG2 4.36Å; H238-V319 VanDerWaalsContact NE2-CG2 3.33Å; H238-V319 WeakPolarHBondContact NE2-CG2 3.13Å; F279-V319 HydrophobicContact CE1-CG1 4Å; F279-V319 HydrophobicContact CE1-CG2 4.19Å; C290-V319 HydrophobicContact CB-CG1 3.52Å; G317-V319 VanDerWaalsContact C-N 3.3Å; G317-V319 PolarHBondContact O-N 3.1Å; V319-G321 PolarHBondContact O-N 3.17Å |
| 320 | P | 97.7 | Very high | 94.7 | Very high | 81 Ų | 81 | 52.2 Ų | 52.2 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -54.3 | 124.9 | 176.1 | -26.8 | 34.2 | 0 | 0 | 0 | 112.5 | L280 Q283 | L280-P320 HydrophobicContact CD2-CG 4.14Å; Q283-P320 PolarHBondContact NE2-O 3.15Å |
| 321 | G | 97.5 | Very high | 94.8 | Very high | 41 Ų | 41 | 56 Ų | 56 | 42% | 0.423 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 151.9 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | C290 V319 | C290-G321 WeakPolarHBondContact O-CA 3.45Å; V319-G321 PolarHBondContact O-N 3.17Å |
| 322 | P | 97.8 | Very high | 95 | Very high | 70 Ų | 70 | 59.2 Ų | 59.2 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | trans | -60.2 | 140.2 | 173.1 | -23.4 | 35.1 | 0 | 0 | 0 | 111.8 | C290 L291 S292 Y324 | C290-P322 WeakPolarHBondContact O-CD 3.35Å; L291-P322 HydrophobicContact CD1-CB 3.95Å; S292-P322 PolarHBondContact N-O 3.17Å; P322-Y324 HydrophobicContact CB-CE2 4.3Å | ||
| 323 | V | 98.2 | Very high | 95.2 | Very high | 47 Ų | 47 | 58.2 Ų | 58.2 | 29% | 0.285 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119 | 179.9 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | S292 V294 | S292-V323 CarbonylContact O-C 3.58Å; S292-V323 WeakPolarHBondContact O-CA 3.46Å; V294-V323 HydrophobicContact CG2-CG1 3.63Å |
| 324 | Y | 98 | Very high | 95.3 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 34% | 0.341 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.4 | 176.3 | -75.5 | -102.4 | 0 | 0 | 0 | 110.5 | L291 S292 F293 V294 P322 T342 A346 | L291-Y324 HydrophobicContact CD1-CD2 3.59Å; L291-Y324 HydrophobicContact CD1-CE2 3.65Å; S292-Y324 PolarHBondContact O-N 3.35Å; F293-Y324 CarbonylContact C-O 3.58Å; F293-Y324 WeakPolarHBondContact CA-O 3.26Å; F293-Y324 HydrophobicContact CD1-CG 4.32Å; F293-Y324 HydrophobicContact CE1-CD2 4.32Å; F293-Y324 HydrophobicContact CE1-CG 4.04Å; V294-Y324 PolarHBondContact N-O 2.89Å; P322-Y324 HydrophobicContact CB-CE2 4.3Å; Y324-T342 HydrophobicContact CD1-CG2 3.9Å; Y324-T342 HydrophobicContact CE1-CG2 4.18Å; Y324-A346 HydrophobicContact CD1-CB 4.2Å; Y324-A346 HydrophobicContact CD2-CB 4.19Å; Y324-A346 HydrophobicContact CE1-CB 3.84Å; Y324-A346 HydrophobicContact CE2-CB 3.83Å; Y324-A346 HydrophobicContact CG-CB 4.35Å |
| 325 | R | 97.3 | Very high | 95.4 | Very high | 153 Ų | 153 | 50.2 Ų | 50.2 | 58% | 0.577 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 110.3 | 173.2 | -64.8 | 174.2 | -177.3 | 78.7 | 5.1 | 108.9 | T296 E313 | T296-R325 HydrophobicContact CG2-CB 4.04Å; E313-R325 IonicContact OE1-CZ 3.01Å; E313-R325 IonicContact OE1-NE 3.46Å; E313-R325 PolarHBondContact OE1-NE 2.86Å; E313-R325 IonicContact OE1-NH2 3.58Å; E313-R325 PolarHBondContact OE1-NH2 2.85Å; E313-R325 IonicContact OE2-NE 3.48Å |
| 326 | L | 96.4 | Very high | 95.5 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135.7 | -177.8 | -59.2 | -176.9 | 0 | 0 | 0 | 110.4 | F293 V294 T296 E328 L333 T342 | F293-L326 HydrophobicContact CB-CD1 4.22Å; F293-L326 HydrophobicContact CD1-CD1 3.65Å; F293-L326 HydrophobicContact CD1-CD2 4.23Å; F293-L326 HydrophobicContact CD1-CG 3.98Å; F293-L326 HydrophobicContact CE1-CD1 4.43Å; F293-L326 HydrophobicContact CG-CD1 4.27Å; V294-L326 PolarHBondContact O-N 3.27Å; T296-L326 WeakPolarHBondContact CB-O 3.36Å; T296-L326 PolarHBondContact N-O 3.49Å; T296-L326 VanDerWaalsContact N-O 3.17Å; T296-L326 PolarHBondContact OG1-O 2.99Å; L326-E328 HydrophobicContact CB-CB 4.21Å; L326-E328 HydrophobicContact CB-CG 4.31Å; L326-E328 PolarHBondContact O-N 3.35Å; L326-L333 HydrophobicContact CB-CD2 3.84Å; L326-L333 HydrophobicContact CD1-CD2 3.82Å; L326-L333 HydrophobicContact CG-CD2 4.28Å; L326-T342 HydrophobicContact CD2-CG2 4.27Å |
| 327 | K | 94.9 | Very high | 95.4 | Very high | 173 Ų | 173 | 56 Ų | 56 | 75% | 0.752 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -74.2 | 58.5 | 171.3 | -167.9 | 173.9 | 176.5 | -177.2 | 0 | 111.2 | T296 I297 | T296-K327 VanDerWaalsContact OG1-CA 3.29Å; T296-K327 WeakPolarHBondContact OG1-CA 3.21Å; I297-K327 HydrophobicContact CD1-CG 3.93Å; I297-K327 VanDerWaalsContact CD1-O 3.31Å; I297-K327 WeakPolarHBondContact CD1-O 3.27Å; I297-K327 HydrophobicContact CG1-CG 4.27Å |
| 328 | E | 94 | Very high | 95.3 | Very high | 47 Ų | 47 | 57.9 Ų | 57.9 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -141.6 | 160.9 | -171.8 | -71.3 | -62.5 | 171.4 | 0 | 0 | 111.9 | K108 E295 T296 I297 L326 L333 | K108-E328 VanDerWaalsContact NZ-CD 3.27Å; K108-E328 IonicContact NZ-OE1 2.6Å; K108-E328 PolarHBondContact NZ-OE1 2.87Å; K108-E328 IonicContact NZ-OE2 2.69Å; K108-E328 PolarHBondContact NZ-OE2 3.37Å; K108-E328 VanDerWaalsContact NZ-OE2 3.16Å; E295-E328 WeakPolarHBondContact CB-O 3.42Å; T296-E328 PolarHBondContact N-O 3.33Å; I297-E328 PolarHBondContact N-O 2.97Å; I297-E328 VanDerWaalsContact N-O 3.09Å; L326-E328 HydrophobicContact CB-CB 4.21Å; L326-E328 HydrophobicContact CB-CG 4.31Å; L326-E328 PolarHBondContact O-N 3.35Å; E328-L333 HydrophobicContact CB-CD2 4.14Å |
| 329 | R | 92.5 | Very high | 95.2 | Very high | 101 Ų | 101 | 58.5 Ų | 58.5 | 38% | 0.381 | 29% | 0.286 | S | S | . | . | trans | -84.5 | 154.6 | 169.9 | -59.7 | 178 | 179.1 | -166.1 | 0.1 | 110.4 | I297 F331 Y332 L333 | I297-R329 HydrophobicContact CB-CG 3.97Å; I297-R329 HydrophobicContact CG2-CG 3.69Å; I297-R329 WeakPolarHBondContact O-CA 3.31Å; R329-F331 VanDerWaalsContact C-N 3.29Å; R329-F331 PolarHBondContact O-N 2.88Å; R329-Y332 HydrophobicContact CB-CD2 4.15Å; R329-Y332 PolarHBondContact O-N 3.27Å; R329-L333 PolarHBondContact O-N 3.15Å | ||
| 330 | H | 92.1 | Very high | 95 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -39.2 | -49.6 | -179.4 | -160.3 | 79.9 | 0 | 0 | 0 | 116 | H197 S198 G235 E295 T299 L310 V311 Y332 | H197-H330 AromaticContact CE1-CD2 3.95Å; H197-H330 AromaticContact NE2-CD2 3.77Å; H197-H330 AromaticContact NE2-NE2 3.85Å; H197-H330 PolarHBondContact NE2-O 3.15Å; S198-H330 WeakPolarHBondContact CB-NE2 3.24Å; S198-H330 PolarHBondContact OG-NE2 3.23Å; G235-H330 PolarHBondContact O-CE1 2.95Å; E295-H330 IonicContact OE1-CE1 3.93Å; E295-H330 IonicContact OE1-CG 2.67Å; E295-H330 IonicContact OE1-ND1 3.99Å; E295-H330 PolarHBondContact OE1-ND1 2.78Å; E295-H330 VanDerWaalsContact OE2-CA 3.22Å; E295-H330 WeakPolarHBondContact OE2-CA 3.4Å; E295-H330 WeakPolarHBondContact OE2-CB 3.36Å; E295-H330 IonicContact OE2-CG 3.96Å; E295-H330 PolarHBondContact OE2-N 3.43Å; E295-H330 IonicContact OE2-ND1 2.69Å; T299-H330 PolarHBondContact OG1-N 3.31Å; L310-H330 HydrophobicContact CB-CB 4.16Å; L310-H330 HydrophobicContact CD1-CB 3.64Å; L310-H330 HydrophobicContact CG-CB 4.01Å; V311-H330 VanDerWaalsContact CG2-CE1 3.48Å; V311-H330 WeakPolarHBondContact CG2-CE1 3.48Å; H330-Y332 VanDerWaalsContact C-N 3.27Å; H330-Y332 PolarHBondContact O-N 3.4Å |
| 331 | F | 90 | Very high | 95 | Very high | 93 Ų | 93 | 62.2 Ų | 62.2 | 41% | 0.408 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -79.8 | -5.1 | -174.4 | -59.8 | -66.6 | 0 | 0 | 0 | 114.5 | T299 L310 R329 K335 | T299-F331 HydrophobicContact CG2-CD2 3.91Å; T299-F331 HydrophobicContact CG2-CE2 3.82Å; L310-F331 HydrophobicContact CD1-CE2 3.86Å; L310-F331 HydrophobicContact CD1-CZ 3.87Å; R329-F331 VanDerWaalsContact C-N 3.29Å; R329-F331 PolarHBondContact O-N 2.88Å; F331-K335 WeakPolarHBondContact O-CD 3.33Å; F331-K335 VanDerWaalsContact O-CE 3.28Å; F331-K335 WeakPolarHBondContact O-CE 3.3Å; F331-K335 PolarHBondContact O-NZ 2.77Å; F331-K335 VanDerWaalsContact O-NZ 3.12Å |
| 332 | Y | 92.6 | Very high | 94.9 | Very high | 69 Ų | 69 | 64.2 Ų | 64.2 | 27% | 0.271 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -109.8 | -5.7 | 178 | -66.9 | -65.3 | 0 | 0 | 0 | 113.3 | K108 R329 H330 C334 K335 | K108-Y332 HydrophobicContact CG-CD1 3.83Å; K108-Y332 HydrophobicContact CG-CE1 4.23Å; R329-Y332 HydrophobicContact CB-CD2 4.15Å; R329-Y332 PolarHBondContact O-N 3.27Å; H330-Y332 VanDerWaalsContact C-N 3.27Å; H330-Y332 PolarHBondContact O-N 3.4Å; Y332-C334 VanDerWaalsContact C-N 3.27Å; Y332-C334 PolarHBondContact O-N 2.79Å; Y332-K335 HydrophobicContact CD1-CB 4.39Å; Y332-K335 HydrophobicContact CD1-CD 4.04Å; Y332-K335 HydrophobicContact CE1-CD 4.46Å; Y332-K335 PolarHBondContact O-N 3.12Å; Y332-K335 VanDerWaalsContact O-N 3.12Å |
| 333 | L | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -42.3 | 177.9 | -69 | 175.5 | 0 | 0 | 0 | 113.1 | Y234 E295 L326 E328 R329 S343 | Y234-L333 HydrophobicContact CD1-CB 4.04Å; Y234-L333 WeakPolarHBondContact CD1-O 3.26Å; Y234-L333 VanDerWaalsContact CE1-O 3.27Å; Y234-L333 WeakPolarHBondContact CE1-O 3.33Å; E295-L333 HydrophobicContact CB-CD1 4.01Å; E295-L333 HydrophobicContact CB-CD2 4.01Å; E295-L333 HydrophobicContact CB-CG 4.26Å; E295-L333 HydrophobicContact CG-CD1 4.42Å; L326-L333 HydrophobicContact CB-CD2 3.84Å; L326-L333 HydrophobicContact CD1-CD2 3.82Å; L326-L333 HydrophobicContact CG-CD2 4.28Å; E328-L333 HydrophobicContact CB-CD2 4.14Å; R329-L333 PolarHBondContact O-N 3.15Å; L333-S343 WeakPolarHBondContact O-CB 3.31Å |
| 334 | C | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 15.6 | -178.2 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | W105 W131 Y234 Y332 P336 | W105-C334 HydrophobicContact CE3-CB 4.26Å; W105-C334 HydrophobicContact CZ3-CB 3.79Å; W131-C334 PolarHBondContact NE1-O 3.11Å; Y234-C334 HydrophobicContact CD1-CB 4Å; Y234-C334 HydrophobicContact CD2-CB 3.9Å; Y234-C334 HydrophobicContact CE1-CB 4.24Å; Y234-C334 HydrophobicContact CE2-CB 4.16Å; Y234-C334 HydrophobicContact CG-CB 3.79Å; Y332-C334 VanDerWaalsContact C-N 3.27Å; Y332-C334 PolarHBondContact O-N 2.79Å; C334-P336 WeakPolarHBondContact O-CD 3.41Å |
| 335 | K | 95.8 | Very high | 94.8 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 9% | 0.087 | 27% | 0.265 | C | S | . | . | trans | -117.5 | 80 | 177.6 | -62.9 | -177.7 | -175.8 | 155.7 | 0 | 108.6 | R103 T104 R106 K108 F331 Y332 | R103-K335 WeakPolarHBondContact O-CE 3.4Å; T104-K335 WeakPolarHBondContact O-CG 3.27Å; R106-K335 HydrophobicContact CG-CD 4.15Å; R106-K335 WeakPolarHBondContact O-CA 3.4Å; R106-K335 WeakPolarHBondContact O-CB 3.42Å; R106-K335 WeakPolarHBondContact O-CG 3.46Å; K108-K335 HydrophobicContact CB-CB 4.41Å; K108-K335 WeakPolarHBondContact CB-O 3.47Å; F331-K335 WeakPolarHBondContact O-CD 3.33Å; F331-K335 VanDerWaalsContact O-CE 3.28Å; F331-K335 WeakPolarHBondContact O-CE 3.3Å; F331-K335 PolarHBondContact O-NZ 2.77Å; F331-K335 VanDerWaalsContact O-NZ 3.12Å; Y332-K335 HydrophobicContact CD1-CB 4.39Å; Y332-K335 HydrophobicContact CD1-CD 4.04Å; Y332-K335 HydrophobicContact CE1-CD 4.46Å; Y332-K335 PolarHBondContact O-N 3.12Å; Y332-K335 VanDerWaalsContact O-N 3.12Å | ||
| 336 | P | 95.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | trans | -58.2 | 144.8 | 176.5 | 27.1 | -35.4 | 0 | 0 | 0 | 110.6 | K108 W131 W135 C334 A341 | K108-P336 PolarHBondContact N-O 3.47Å; W131-P336 HydrophobicContact CB-CG 4.31Å; W131-P336 HydrophobicContact CD2-CG 3.86Å; W131-P336 HydrophobicContact CG-CG 3.74Å; W135-P336 HydrophobicContact CE3-CG 4.31Å; W135-P336 HydrophobicContact CZ3-CB 4.02Å; W135-P336 HydrophobicContact CZ3-CG 3.67Å; C334-P336 WeakPolarHBondContact O-CD 3.41Å; P336-A341 HydrophobicContact CB-CB 3.72Å | ||
| 337 | E | 92.7 | Very high | 94.9 | Very high | 120 Ų | 120 | 49.8 Ų | 49.8 | 56% | 0.561 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -72.9 | -37.6 | 177.4 | -176.5 | 164.7 | -173.1 | 0 | 0 | 111.5 | Q107 K108 | Q107-E337 WeakPolarHBondContact CG-O 3.42Å; Q107-E337 PolarHBondContact NE2-O 2.81Å; K108-E337 HydrophobicContact CB-CB 4.32Å; K108-E337 HydrophobicContact CD-CB 4.3Å |
| 338 | D | 93 | Very high | 95.1 | Very high | 63 Ų | 63 | 41.8 Ų | 41.8 | 34% | 0.337 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -156.2 | 174.6 | 179.4 | 60 | 50.5 | 0 | 0 | 0 | 110.2 | Q340 A341 | D338-Q340 PolarHBondContact O-N 2.86Å; D338-Q340 VanDerWaalsContact O-N 3.08Å; D338-Q340 VanDerWaalsContact OD1-CA 3.28Å; D338-Q340 WeakPolarHBondContact OD1-CA 3.46Å; D338-Q340 WeakPolarHBondContact OD1-CB 3.4Å; D338-Q340 PolarHBondContact OD1-N 3.41Å; D338-A341 WeakPolarHBondContact O-CB 3.38Å; D338-A341 PolarHBondContact O-N 3Å; D338-A341 VanDerWaalsContact O-N 3.12Å; D338-A341 PolarHBondContact OD1-N 2.86Å |
| 339 | P | 94.3 | Very high | 95.3 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 29% | 0.286 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -10.5 | 177.7 | -27.3 | 36.3 | 0 | 0 | 0 | 116.2 | W135 Y344 R345 | W135-P339 HydrophobicContact CD2-CB 4.46Å; W135-P339 HydrophobicContact CD2-CG 3.72Å; W135-P339 HydrophobicContact CE3-CB 4.4Å; W135-P339 HydrophobicContact CE3-CG 3.98Å; W135-P339 HydrophobicContact CG-CG 4.1Å; W135-P339 HydrophobicContact CH2-CG 4.42Å; W135-P339 HydrophobicContact CZ2-CG 4.15Å; W135-P339 HydrophobicContact CZ3-CG 4.32Å; P339-Y344 HydrophobicContact CB-CD1 4.39Å; P339-Y344 HydrophobicContact CB-CE1 4.02Å; P339-Y344 WeakPolarHBondContact O-CD1 3.29Å; P339-Y344 WeakPolarHBondContact O-CE1 3.35Å; P339-R345 PolarHBondContact O-NE 3.37Å |
| 340 | Q | 95.2 | Very high | 95.6 | Very high | 142 Ų | 142 | 40.6 Ų | 40.6 | 66% | 0.664 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -6.5 | 178 | -57.2 | -56.3 | -44 | 0 | 0 | 112.8 | D338 T342 | D338-Q340 PolarHBondContact O-N 2.86Å; D338-Q340 VanDerWaalsContact O-N 3.08Å; D338-Q340 VanDerWaalsContact OD1-CA 3.28Å; D338-Q340 WeakPolarHBondContact OD1-CA 3.46Å; D338-Q340 WeakPolarHBondContact OD1-CB 3.4Å; D338-Q340 PolarHBondContact OD1-N 3.41Å; Q340-T342 PolarHBondContact O-N 3.3Å |
| 341 | A | 95.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 40.5 Ų | 40.5 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | trans | -56.8 | 136.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P336 D338 S343 Y344 R345 | P336-A341 HydrophobicContact CB-CB 3.72Å; D338-A341 WeakPolarHBondContact O-CB 3.38Å; D338-A341 PolarHBondContact O-N 3Å; D338-A341 VanDerWaalsContact O-N 3.12Å; D338-A341 PolarHBondContact OD1-N 2.86Å; A341-S343 PolarHBondContact O-N 2.95Å; A341-Y344 PolarHBondContact O-N 3.36Å; A341-R345 PolarHBondContact O-N 3.35Å | ||
| 342 | T | 96.7 | Very high | 96.3 | Very high | 83 Ų | 83 | 37.1 Ų | 37.1 | 51% | 0.509 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55.1 | -38.7 | -178.4 | -51.7 | 0 | 0 | 0 | 0 | 112.9 | Y324 L326 Q340 Y344 A346 | Y324-T342 HydrophobicContact CD1-CG2 3.9Å; Y324-T342 HydrophobicContact CE1-CG2 4.18Å; L326-T342 HydrophobicContact CD2-CG2 4.27Å; Q340-T342 PolarHBondContact O-N 3.3Å; T342-Y344 PolarHBondContact O-N 3.25Å; T342-A346 WeakPolarHBondContact O-CB 3.2Å; T342-A346 PolarHBondContact O-N 3.4Å |
| 343 | S | 96 | Very high | 96.5 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 8% | 0.077 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.2 | -34 | 177.4 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | Y234 F293 L333 A341 | Y234-S343 PolarHBondContact OH-O 3.44Å; F293-S343 WeakPolarHBondContact CZ-O 3.38Å; L333-S343 WeakPolarHBondContact O-CB 3.31Å; A341-S343 PolarHBondContact O-N 2.95Å |
| 344 | Y | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -89.3 | -46.3 | -179.5 | 173.7 | -122.8 | 0 | 0 | 0 | 112.6 | W131 W135 L136 D139 P339 A341 T342 A346 V347 V348 | W131-Y344 AromaticContact CE3-CD2 3.57Å; W131-Y344 HydrophobicContact CE3-CD2 3.57Å; W131-Y344 AromaticContact CE3-CE2 3.67Å; W131-Y344 HydrophobicContact CE3-CE2 3.67Å; W131-Y344 HydrophobicContact CH2-CD2 4.28Å; W131-Y344 AromaticContact CZ3-CD2 3.42Å; W131-Y344 HydrophobicContact CZ3-CD2 3.42Å; W131-Y344 VanDerWaalsContact CZ3-CD2 3.42Å; W131-Y344 AromaticContact CZ3-CE2 3.61Å; W131-Y344 HydrophobicContact CZ3-CE2 3.61Å; W135-Y344 HydrophobicContact CB-CE1 3.95Å; W135-Y344 HydrophobicContact CB-CE2 4.27Å; W135-Y344 VanDerWaalsContact CB-OH 3.25Å; W135-Y344 WeakPolarHBondContact CB-OH 3.41Å; W135-Y344 HydrophobicContact CE3-CD1 4.09Å; W135-Y344 HydrophobicContact CE3-CE1 4.03Å; W135-Y344 HydrophobicContact CE3-CG 4.48Å; W135-Y344 PolarHBondContact O-OH 2.83Å; L136-Y344 VanDerWaalsContact CA-OH 3.28Å; L136-Y344 WeakPolarHBondContact CA-OH 3.49Å; L136-Y344 HydrophobicContact CB-CE2 4.25Å; L136-Y344 HydrophobicContact CD1-CE2 4.22Å; L136-Y344 PolarHBondContact N-OH 2.98Å; L136-Y344 VanDerWaalsContact N-OH 3.17Å; D139-Y344 WeakPolarHBondContact OD2-CE1 3.49Å; D139-Y344 PolarHBondContact OD2-OH 3.24Å; P339-Y344 HydrophobicContact CB-CD1 4.39Å; P339-Y344 HydrophobicContact CB-CE1 4.02Å; P339-Y344 WeakPolarHBondContact O-CD1 3.29Å; P339-Y344 WeakPolarHBondContact O-CE1 3.35Å; A341-Y344 PolarHBondContact O-N 3.36Å; T342-Y344 PolarHBondContact O-N 3.25Å; Y344-A346 VanDerWaalsContact C-N 3.34Å; Y344-A346 PolarHBondContact O-N 3.02Å; Y344-V347 WeakPolarHBondContact O-CB 3.41Å; Y344-V347 PolarHBondContact O-N 3.15Å; Y344-V348 HydrophobicContact CD2-CG2 4.17Å; Y344-V348 HydrophobicContact CE1-CG2 4.38Å; Y344-V348 HydrophobicContact CE2-CG2 3.64Å; Y344-V348 PolarHBondContact O-N 3.32Å |
| 345 | R | 98 | Very high | 96.7 | Very high | 53 Ų | 53 | 38.1 Ų | 38.1 | 20% | 0.2 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 177.6 | -72.8 | -62.8 | 84.6 | -167.6 | -0.3 | 112.4 | D139 P339 A341 V347 V348 D349 | D139-R345 IonicContact OD2-CZ 3.73Å; D139-R345 IonicContact OD2-NH1 3.24Å; D139-R345 IonicContact OD2-NH2 3.75Å; D139-R345 PolarHBondContact OD2-NH2 2.83Å; P339-R345 PolarHBondContact O-NE 3.37Å; A341-R345 PolarHBondContact O-N 3.35Å; R345-V347 PolarHBondContact O-N 3.45Å; R345-V348 PolarHBondContact O-N 3.1Å; R345-D349 VanDerWaalsContact O-CG 3.24Å; R345-D349 PolarHBondContact O-N 3.01Å |
| 346 | A | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -33.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F293 Y324 T342 Y344 F350 | F293-A346 HydrophobicContact CE1-CB 3.89Å; F293-A346 HydrophobicContact CZ-CB 3.77Å; Y324-A346 HydrophobicContact CD1-CB 4.2Å; Y324-A346 HydrophobicContact CD2-CB 4.19Å; Y324-A346 HydrophobicContact CE1-CB 3.84Å; Y324-A346 HydrophobicContact CE2-CB 3.83Å; Y324-A346 HydrophobicContact CG-CB 4.35Å; T342-A346 WeakPolarHBondContact O-CB 3.2Å; T342-A346 PolarHBondContact O-N 3.4Å; Y344-A346 VanDerWaalsContact C-N 3.34Å; Y344-A346 PolarHBondContact O-N 3.02Å; A346-F350 WeakPolarHBondContact O-CB 3.3Å; A346-F350 PolarHBondContact O-N 2.91Å; A346-F350 VanDerWaalsContact O-N 3.12Å |
| 347 | V | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.9 | -43.3 | 173.8 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | V232 Y234 L291 F293 Y344 R345 F350 I351 | V232-V347 HydrophobicContact CG1-CG2 3.92Å; Y234-V347 HydrophobicContact CE2-CG2 4.24Å; Y234-V347 WeakPolarHBondContact OH-CG2 3.43Å; L291-V347 HydrophobicContact CD2-CG2 4.2Å; F293-V347 HydrophobicContact CE2-CG2 3.71Å; F293-V347 HydrophobicContact CZ-CG2 3.81Å; Y344-V347 WeakPolarHBondContact O-CB 3.41Å; Y344-V347 PolarHBondContact O-N 3.15Å; R345-V347 PolarHBondContact O-N 3.45Å; V347-F350 PolarHBondContact O-N 3.4Å; V347-I351 HydrophobicContact CG1-CD1 3.52Å; V347-I351 HydrophobicContact CG1-CG1 4.2Å; V347-I351 WeakPolarHBondContact O-CB 3.19Å; V347-I351 WeakPolarHBondContact O-CG1 3.4Å; V347-I351 PolarHBondContact O-N 2.84Å |
| 348 | V | 98.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -50.9 | 177.7 | 172.5 | 0 | 0 | 0 | 0 | 111 | L136 D139 L140 Y344 R345 F350 I351 S352 | L136-V348 HydrophobicContact CD1-CG2 3.76Å; D139-V348 HydrophobicContact CB-CG1 3.94Å; D139-V348 HydrophobicContact CB-CG2 4.24Å; D139-V348 WeakPolarHBondContact O-CG1 3.24Å; L140-V348 HydrophobicContact CD2-CG1 4.42Å; Y344-V348 HydrophobicContact CD2-CG2 4.17Å; Y344-V348 HydrophobicContact CE1-CG2 4.38Å; Y344-V348 HydrophobicContact CE2-CG2 3.64Å; Y344-V348 PolarHBondContact O-N 3.32Å; R345-V348 PolarHBondContact O-N 3.1Å; V348-F350 VanDerWaalsContact C-N 3.3Å; V348-F350 PolarHBondContact O-N 3.32Å; V348-I351 PolarHBondContact O-N 3.36Å; V348-S352 WeakPolarHBondContact O-CB 3.43Å; V348-S352 PolarHBondContact O-N 3.17Å; V348-S352 PolarHBondContact O-OG 3.23Å; V348-S352 VanDerWaalsContact O-OG 3.09Å |
| 349 | D | 98.2 | Very high | 96.6 | Very high | 97 Ų | 97 | 43.1 Ų | 43.1 | 52% | 0.519 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.1 | -43 | -179.2 | -60.8 | -20.1 | 0 | 0 | 0 | 111.1 | R345 S353 | R345-D349 VanDerWaalsContact O-CG 3.24Å; R345-D349 PolarHBondContact O-N 3.01Å; D349-S353 VanDerWaalsContact O-CB 3.32Å; D349-S353 WeakPolarHBondContact O-CB 3.44Å; D349-S353 PolarHBondContact O-N 3.39Å |
| 350 | F | 98.5 | Very high | 96.4 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 12% | 0.118 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 177 | 176.4 | -101.9 | 0 | 0 | 0 | 112.6 | A230 V232 A289 L291 A346 V347 V348 S353 V354 | A230-F350 HydrophobicContact CB-CE1 3.87Å; A230-F350 HydrophobicContact CB-CZ 3.99Å; V232-F350 HydrophobicContact CG2-CD1 3.76Å; V232-F350 HydrophobicContact CG2-CE1 3.71Å; A289-F350 HydrophobicContact CB-CE2 4.03Å; A289-F350 HydrophobicContact CB-CZ 3.81Å; L291-F350 HydrophobicContact CB-CD1 4.01Å; L291-F350 HydrophobicContact CB-CD2 3.92Å; L291-F350 HydrophobicContact CB-CE1 4.03Å; L291-F350 HydrophobicContact CB-CE2 3.93Å; L291-F350 HydrophobicContact CB-CG 3.95Å; L291-F350 HydrophobicContact CB-CZ 3.99Å; L291-F350 HydrophobicContact CD2-CB 3.75Å; L291-F350 HydrophobicContact CD2-CD1 4.11Å; L291-F350 HydrophobicContact CD2-CD2 4.47Å; L291-F350 HydrophobicContact CD2-CG 3.87Å; L291-F350 HydrophobicContact CG-CG 4.47Å; A346-F350 WeakPolarHBondContact O-CB 3.3Å; A346-F350 PolarHBondContact O-N 2.91Å; A346-F350 VanDerWaalsContact O-N 3.12Å; V347-F350 PolarHBondContact O-N 3.4Å; V348-F350 VanDerWaalsContact C-N 3.3Å; V348-F350 PolarHBondContact O-N 3.32Å; F350-S353 PolarHBondContact O-N 2.93Å; F350-V354 HydrophobicContact CD1-CG2 4.46Å; F350-V354 HydrophobicContact CD2-CG2 4.37Å; F350-V354 HydrophobicContact CE1-CG2 4.14Å; F350-V354 HydrophobicContact CE2-CG2 4.04Å; F350-V354 HydrophobicContact CZ-CG2 3.92Å; F350-V354 WeakPolarHBondContact O-CB 3.27Å; F350-V354 VanDerWaalsContact O-CG2 3.26Å; F350-V354 WeakPolarHBondContact O-CG2 3.28Å; F350-V354 PolarHBondContact O-N 2.96Å |
| 351 | I | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | -179.8 | -70.6 | 177.5 | 0 | 0 | 0 | 110.5 | I91 L140 I193 V347 V348 S353 V354 L355 | I91-I351 HydrophobicContact CD1-CD1 4.08Å; I91-I351 HydrophobicContact CD1-CG2 4.05Å; I91-I351 HydrophobicContact CG2-CD1 4.39Å; L140-I351 HydrophobicContact CD1-CG2 4.08Å; L140-I351 HydrophobicContact CD2-CB 4.13Å; L140-I351 HydrophobicContact CD2-CG2 3.64Å; I193-I351 HydrophobicContact CD1-CB 4.44Å; I193-I351 HydrophobicContact CD1-CG1 4.28Å; I193-I351 HydrophobicContact CD1-CG2 3.82Å; I193-I351 HydrophobicContact CG2-CD1 4.37Å; I193-I351 HydrophobicContact CG2-CG1 4.22Å; V347-I351 HydrophobicContact CG1-CD1 3.52Å; V347-I351 HydrophobicContact CG1-CG1 4.2Å; V347-I351 WeakPolarHBondContact O-CB 3.19Å; V347-I351 WeakPolarHBondContact O-CG1 3.4Å; V347-I351 PolarHBondContact O-N 2.84Å; V348-I351 PolarHBondContact O-N 3.36Å; I351-S353 PolarHBondContact O-N 3.04Å; I351-V354 PolarHBondContact O-N 3.43Å; I351-L355 HydrophobicContact CG2-CD1 3.84Å; I351-L355 HydrophobicContact CG2-CG 4.28Å; I351-L355 WeakPolarHBondContact O-CB 3.29Å; I351-L355 VanDerWaalsContact O-CG 3.28Å; I351-L355 WeakPolarHBondContact O-CG 3.23Å; I351-L355 PolarHBondContact O-N 3.48Å |
| 352 | S | 98 | Very high | 95.2 | Very high | 22 Ų | 22 | 42.2 Ų | 42.2 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.8 | -49.9 | 176.5 | -66.1 | 0 | 0 | 0 | 0 | 111.1 | V348 V354 L355 E356 | V348-S352 WeakPolarHBondContact O-CB 3.43Å; V348-S352 PolarHBondContact O-N 3.17Å; V348-S352 PolarHBondContact O-OG 3.23Å; V348-S352 VanDerWaalsContact O-OG 3.09Å; S352-V354 PolarHBondContact O-N 3.3Å; S352-L355 PolarHBondContact O-N 3.1Å; S352-E356 WeakPolarHBondContact O-CB 3.41Å; S352-E356 VanDerWaalsContact O-CG 3.31Å; S352-E356 WeakPolarHBondContact O-CG 3.47Å; S352-E356 PolarHBondContact O-N 3.22Å |
| 353 | S | 97.5 | Very high | 93.9 | Very high | 70 Ų | 70 | 45.5 Ų | 45.5 | 49% | 0.49 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.8 | -43.2 | 178 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | D349 F350 I351 S357 | D349-S353 VanDerWaalsContact O-CB 3.32Å; D349-S353 WeakPolarHBondContact O-CB 3.44Å; D349-S353 PolarHBondContact O-N 3.39Å; F350-S353 PolarHBondContact O-N 2.93Å; I351-S353 PolarHBondContact O-N 3.04Å; S353-S357 WeakPolarHBondContact O-CB 3.24Å; S353-S357 PolarHBondContact O-N 3.14Å |
| 354 | V | 97.5 | Very high | 92.1 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 177.6 | 164.5 | 0 | 0 | 0 | 0 | 111.4 | I193 I229 A230 A289 F350 I351 S352 Y358 | I193-V354 HydrophobicContact CD1-CG1 4.2Å; I229-V354 HydrophobicContact CD1-CG1 3.56Å; I229-V354 HydrophobicContact CG1-CG1 4.07Å; A230-V354 HydrophobicContact CB-CG1 3.9Å; A230-V354 HydrophobicContact CB-CG2 4.17Å; A289-V354 HydrophobicContact CB-CG2 3.77Å; F350-V354 HydrophobicContact CD1-CG2 4.46Å; F350-V354 HydrophobicContact CD2-CG2 4.37Å; F350-V354 HydrophobicContact CE1-CG2 4.14Å; F350-V354 HydrophobicContact CE2-CG2 4.04Å; F350-V354 HydrophobicContact CZ-CG2 3.92Å; F350-V354 WeakPolarHBondContact O-CB 3.27Å; F350-V354 VanDerWaalsContact O-CG2 3.26Å; F350-V354 WeakPolarHBondContact O-CG2 3.28Å; F350-V354 PolarHBondContact O-N 2.96Å; I351-V354 PolarHBondContact O-N 3.43Å; S352-V354 PolarHBondContact O-N 3.3Å; V354-Y358 VanDerWaalsContact O-CB 3.32Å; V354-Y358 WeakPolarHBondContact O-CB 3.13Å; V354-Y358 PolarHBondContact O-N 3.05Å |
| 355 | L | 96.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.3 | -40.3 | -180 | -69.2 | 176.7 | 0 | 0 | 0 | 112.3 | A89 Y142 V144 I193 I229 I351 S352 Y358 K359 | A89-L355 HydrophobicContact CB-CD2 3.59Å; Y142-L355 HydrophobicContact CD2-CB 4.04Å; Y142-L355 HydrophobicContact CD2-CD1 4.26Å; Y142-L355 HydrophobicContact CE2-CB 4.23Å; V144-L355 HydrophobicContact CG1-CD1 4.09Å; I193-L355 HydrophobicContact CD1-CD2 4.04Å; I193-L355 HydrophobicContact CD1-CG 4.2Å; I229-L355 HydrophobicContact CD1-CD2 4.43Å; I351-L355 HydrophobicContact CG2-CD1 3.84Å; I351-L355 HydrophobicContact CG2-CG 4.28Å; I351-L355 WeakPolarHBondContact O-CB 3.29Å; I351-L355 VanDerWaalsContact O-CG 3.28Å; I351-L355 WeakPolarHBondContact O-CG 3.23Å; I351-L355 PolarHBondContact O-N 3.48Å; S352-L355 PolarHBondContact O-N 3.1Å; L355-Y358 PolarHBondContact O-N 2.69Å; L355-K359 WeakPolarHBondContact O-CB 3.34Å; L355-K359 WeakPolarHBondContact O-CG 3.5Å; L355-K359 PolarHBondContact O-N 2.6Å |
| 356 | E | 96 | Very high | 87.6 | Confident | 93 Ų | 93 | 66 Ų | 66 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 174.5 | -74.3 | 168.9 | -172.2 | 0 | 0 | 111.5 | Y142 S352 K359 S360 | Y142-E356 HydrophobicContact CE2-CG 4.21Å; S352-E356 WeakPolarHBondContact O-CB 3.41Å; S352-E356 VanDerWaalsContact O-CG 3.31Å; S352-E356 WeakPolarHBondContact O-CG 3.47Å; S352-E356 PolarHBondContact O-N 3.22Å; E356-K359 PolarHBondContact O-N 3.37Å; E356-S360 WeakPolarHBondContact O-CB 3.4Å; E356-S360 PolarHBondContact O-N 2.66Å; E356-S360 PolarHBondContact O-OG 3.36Å |
| 357 | S | 94.5 | Very high | 87 | Confident | 63 Ų | 63 | 69.2 Ų | 69.2 | 44% | 0.441 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 176 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | S353 K359 S360 N361 | S353-S357 WeakPolarHBondContact O-CB 3.24Å; S353-S357 PolarHBondContact O-N 3.14Å; S357-K359 PolarHBondContact O-N 3.14Å; S357-S360 PolarHBondContact O-N 3.01Å; S357-N361 PolarHBondContact O-N 3.21Å; S357-N361 PolarHBondContact O-ND2 2.86Å |
| 358 | Y | 93.8 | Very high | 86.4 | Confident | 90 Ų | 90 | 72.8 Ų | 72.8 | 35% | 0.353 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 178.8 | -175.8 | -93.1 | 0 | 0 | 0 | 112.2 | P191 I229 V354 L355 N361 A362 | P191-Y358 HydrophobicContact CB-CD1 4.41Å; P191-Y358 HydrophobicContact CB-CE1 4.16Å; P191-Y358 HydrophobicContact CG-CD1 3.74Å; P191-Y358 HydrophobicContact CG-CE1 3.18Å; P191-Y358 HydrophobicContact CG-CE2 4.21Å; P191-Y358 HydrophobicContact CG-CG 4.46Å; P191-Y358 VanDerWaalsContact CG-CZ 3.44Å; I229-Y358 HydrophobicContact CD1-CD2 4.26Å; I229-Y358 HydrophobicContact CD1-CG 4.22Å; I229-Y358 HydrophobicContact CG2-CD2 3.68Å; I229-Y358 HydrophobicContact CG2-CE2 3.69Å; V354-Y358 VanDerWaalsContact O-CB 3.32Å; V354-Y358 WeakPolarHBondContact O-CB 3.13Å; V354-Y358 PolarHBondContact O-N 3.05Å; L355-Y358 PolarHBondContact O-N 2.69Å; Y358-N361 PolarHBondContact O-N 3.08Å; Y358-A362 PolarHBondContact O-N 3.05Å |
| 359 | K | 90.5 | Very high | 85.8 | Confident | 64 Ų | 64 | 76.6 Ų | 76.6 | 28% | 0.278 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 177 | -77.3 | -170 | 171.2 | -169.1 | 0 | 111.8 | Y142 L355 E356 S357 N361 A362 F363 | Y142-K359 HydrophobicContact CD1-CD 4.35Å; Y142-K359 HydrophobicContact CE1-CD 3.9Å; Y142-K359 HydrophobicContact CE2-CD 4.28Å; L355-K359 WeakPolarHBondContact O-CB 3.34Å; L355-K359 WeakPolarHBondContact O-CG 3.5Å; L355-K359 PolarHBondContact O-N 2.6Å; E356-K359 PolarHBondContact O-N 3.37Å; S357-K359 PolarHBondContact O-N 3.14Å; K359-N361 VanDerWaalsContact C-N 3.29Å; K359-N361 PolarHBondContact O-N 3.44Å; K359-A362 PolarHBondContact O-N 2.73Å; K359-A362 VanDerWaalsContact O-N 3.16Å; K359-F363 HydrophobicContact CB-CE2 4.23Å; K359-F363 WeakPolarHBondContact O-CD2 3.38Å; K359-F363 PolarHBondContact O-N 2.68Å |
| 360 | S | 90.4 | Very high | 85.1 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 47% | 0.469 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | -179.8 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | E356 S357 | E356-S360 WeakPolarHBondContact O-CB 3.4Å; E356-S360 PolarHBondContact O-N 2.66Å; E356-S360 PolarHBondContact O-OG 3.36Å; S357-S360 PolarHBondContact O-N 3.01Å |
| 361 | N | 86.5 | Confident | 84.2 | Confident | 81 Ų | 81 | 78.4 Ų | 78.4 | 43% | 0.433 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -73 | -33.1 | 176 | -68.3 | -41.4 | 0 | 0 | 0 | 113 | S357 Y358 K359 Q364 | S357-N361 PolarHBondContact O-N 3.21Å; S357-N361 PolarHBondContact O-ND2 2.86Å; Y358-N361 PolarHBondContact O-N 3.08Å; K359-N361 VanDerWaalsContact C-N 3.29Å; K359-N361 PolarHBondContact O-N 3.44Å; N361-Q364 PolarHBondContact O-N 2.71Å |
| 362 | A | 80 | Confident | 83.3 | Confident | 37 Ų | 37 | 83.7 Ų | 83.7 | 31% | 0.306 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y358 K359 Q364 L365 D366 | Y358-A362 PolarHBondContact O-N 3.05Å; K359-A362 PolarHBondContact O-N 2.73Å; K359-A362 VanDerWaalsContact O-N 3.16Å; A362-Q364 PolarHBondContact O-N 3.24Å; A362-L365 PolarHBondContact O-N 3.37Å; A362-D366 PolarHBondContact O-N 3.48Å |
| 363 | F | 69.3 | Low | 82.2 | Confident | 153 Ų | 153 | 88.1 Ų | 88.1 | 67% | 0.671 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -14.2 | 175.7 | -71.7 | -63.3 | 0 | 0 | 0 | 114.7 | K359 | K359-F363 HydrophobicContact CB-CE2 4.23Å; K359-F363 WeakPolarHBondContact O-CD2 3.38Å; K359-F363 PolarHBondContact O-N 2.68Å |
| 364 | Q | 57.1 | Low | 81 | Confident | 153 Ų | 153 | 89.5 Ų | 89.5 | 72% | 0.715 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -11.9 | 174.4 | -71.8 | -177.8 | -4.6 | 0 | 0 | 113 | N361 A362 | N361-Q364 PolarHBondContact O-N 2.71Å; A362-Q364 PolarHBondContact O-N 3.24Å |
| 365 | L | 57.1 | Low | 79.7 | Confident | 152 Ų | 152 | 95.5 Ų | 95.5 | 80% | 0.796 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -17.7 | -177.8 | -69.9 | 168.5 | 0 | 0 | 0 | 113 | A362 | A362-L365 PolarHBondContact O-N 3.37Š|
| 366 | D | 44.2 | Very low | 78.1 | Confident | 190 Ų | 190 | 103.9 Ų | 103.9 | 100% | 1.016 | 54% | 0.537 | S | S | * | . | trans | -91.1 | 0 | 166.6 | -67.3 | -22.6 | 0 | 0 | 0 | 110.1 | A362 | A362-D366 PolarHBondContact O-N 3.48Š|
Retrieved 366 of 366 residues in 625.3 ms
(Link to these results)