| 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 | 60.4 | Low | 80.4 | Confident | 199 Ų | 199 | 96.6 Ų | 96.6 | 98% | 0.98 | 47% | 0.472 | S | S | * | . | 0 | -59.9 | 0 | -130.5 | -179.3 | -79.5 | 0 | 0 | 112.3 | R3 N4 N5 | M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.4Å; M1-N4 PolarHBondContact O-N 3.43Å; M1-N5 PolarHBondContact O-N 2.82Å; M1-N5 PolarHBondContact O-OD1 3.27Å | |||
| 2 | L | 65.8 | Low | 81.4 | Confident | 153 Ų | 153 | 100.7 Ų | 100.7 | 80% | 0.801 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -56.9 | -39 | -178.8 | -147.7 | 86.8 | 0 | 0 | 0 | 114.4 | N5 K6 | L2-N5 PolarHBondContact O-N 3.15Å; L2-K6 PolarHBondContact O-N 3.47Å |
| 3 | R | 68.3 | Low | 82.3 | Confident | 117 Ų | 117 | 99.7 Ų | 99.7 | 44% | 0.442 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 179.6 | -169.5 | 170.7 | 74.7 | 177.4 | 5.1 | 113.3 | M1 K6 T7 H239 I243 E247 | M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.4Å; R3-K6 PolarHBondContact O-N 3.13Å; R3-T7 PolarHBondContact O-N 3.15Å; R3-T7 PolarHBondContact O-OG1 3.38Å; R3-H239 PolarHBondContact O-CE1 2.03Å; R3-I243 HydrophobicContact CG-CD1 4.44Å; R3-I243 HydrophobicContact CG-CG1 4.4Å; R3-E247 IonicContact NH2-OE1 3.93Å |
| 4 | N | 74 | Confident | 83.1 | Confident | 103 Ų | 103 | 92.6 Ų | 92.6 | 55% | 0.551 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.7 | -40 | 177.5 | -79.2 | 13.9 | 0 | 0 | 0 | 111.1 | M1 K6 T7 I8 | M1-N4 PolarHBondContact O-N 3.43Å; N4-K6 VanDerWaalsContact C-N 3.3Å; N4-K6 PolarHBondContact O-N 3.14Å; N4-T7 PolarHBondContact O-N 3.26Å; N4-I8 WeakPolarHBondContact O-CD1 3.4Å; N4-I8 VanDerWaalsContact O-CG1 3.26Å; N4-I8 WeakPolarHBondContact O-CG1 3.48Å; N4-I8 PolarHBondContact O-N 2.99Å |
| 5 | N | 83.2 | Confident | 83.8 | Confident | 85 Ų | 85 | 89.4 Ų | 89.4 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 178.3 | -64.1 | -0.6 | 0 | 0 | 0 | 111.3 | M1 L2 I8 I9 | M1-N5 PolarHBondContact O-N 2.82Å; M1-N5 PolarHBondContact O-OD1 3.27Å; L2-N5 PolarHBondContact O-N 3.15Å; N5-I8 PolarHBondContact O-N 3.3Å; N5-I9 WeakPolarHBondContact O-CD1 3.47Å; N5-I9 WeakPolarHBondContact O-CG1 3.38Å; N5-I9 PolarHBondContact O-N 3.06Å |
| 6 | K | 84.9 | Confident | 84.5 | Confident | 121 Ų | 121 | 89.6 Ų | 89.6 | 53% | 0.526 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 177.8 | -171 | 173.2 | -179.7 | 174.9 | 0 | 113.1 | L2 R3 N4 I8 I9 L10 | L2-K6 PolarHBondContact O-N 3.47Å; R3-K6 PolarHBondContact O-N 3.13Å; N4-K6 VanDerWaalsContact C-N 3.3Å; N4-K6 PolarHBondContact O-N 3.14Å; K6-I8 VanDerWaalsContact C-N 3.35Å; K6-I9 PolarHBondContact O-N 3.29Å; K6-L10 HydrophobicContact CG-CD1 4.23Å; K6-L10 WeakPolarHBondContact O-CG 3.41Å; K6-L10 PolarHBondContact O-N 3.5Å; K6-L10 VanDerWaalsContact O-N 3.08Å |
| 7 | T | 85 | Confident | 85 | Confident | 17 Ų | 17 | 86.1 Ų | 86.1 | 10% | 0.104 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.2 | -47 | 174.5 | -63 | 0 | 0 | 0 | 0 | 111.1 | R3 N4 I9 L10 K11 F236 H239 | R3-T7 PolarHBondContact O-N 3.15Å; R3-T7 PolarHBondContact O-OG1 3.38Å; N4-T7 PolarHBondContact O-N 3.26Å; T7-I9 VanDerWaalsContact C-N 3.35Å; T7-I9 PolarHBondContact O-N 3.38Å; T7-L10 PolarHBondContact O-N 3.43Å; T7-K11 HydrophobicContact CG2-CD 4.23Å; T7-K11 HydrophobicContact CG2-CG 4.42Å; T7-K11 WeakPolarHBondContact O-CG 3.31Å; T7-K11 PolarHBondContact O-N 3Å; T7-F236 HydrophobicContact CG2-CE2 4.11Å; T7-H239 PolarHBondContact OG1-CE1 2.81Å; T7-H239 PolarHBondContact OG1-ND1 3.31Å; T7-H239 VanDerWaalsContact OG1-ND1 3.12Å |
| 8 | I | 87.9 | Confident | 85.5 | Confident | 109 Ų | 109 | 81.6 Ų | 81.6 | 56% | 0.559 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.5 | -44.5 | -178.7 | -66.3 | 163.9 | 0 | 0 | 0 | 110.7 | N4 N5 K6 K11 Y12 | N4-I8 WeakPolarHBondContact O-CD1 3.4Å; N4-I8 VanDerWaalsContact O-CG1 3.26Å; N4-I8 WeakPolarHBondContact O-CG1 3.48Å; N4-I8 PolarHBondContact O-N 2.99Å; N5-I8 PolarHBondContact O-N 3.3Å; K6-I8 VanDerWaalsContact C-N 3.35Å; I8-K11 PolarHBondContact O-N 3.02Å; I8-Y12 WeakPolarHBondContact O-CB 3.36Å; I8-Y12 PolarHBondContact O-N 3.08Å |
| 9 | I | 90.9 | Very high | 86 | Confident | 93 Ų | 93 | 78.9 Ų | 78.9 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 178.2 | -68.6 | 164.2 | 0 | 0 | 0 | 111.2 | N5 K6 T7 Y12 F13 | N5-I9 WeakPolarHBondContact O-CD1 3.47Å; N5-I9 WeakPolarHBondContact O-CG1 3.38Å; N5-I9 PolarHBondContact O-N 3.06Å; K6-I9 PolarHBondContact O-N 3.29Å; T7-I9 VanDerWaalsContact C-N 3.35Å; T7-I9 PolarHBondContact O-N 3.38Å; I9-Y12 PolarHBondContact O-N 3.44Å; I9-F13 HydrophobicContact CG2-CD2 3.74Å; I9-F13 HydrophobicContact CG2-CE2 3.65Å; I9-F13 VanDerWaalsContact O-CD2 3.27Å; I9-F13 WeakPolarHBondContact O-CD2 3.35Å; I9-F13 PolarHBondContact O-N 3.32Å; I9-F13 VanDerWaalsContact O-N 3.09Å |
| 10 | L | 91.8 | Very high | 86.5 | Confident | 18 Ų | 18 | 77.9 Ų | 77.9 | 9% | 0.094 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63 | -44.9 | 179.8 | -72.7 | 169.1 | 0 | 0 | 0 | 112 | K6 T7 Y12 F13 L14 L232 C235 F236 | K6-L10 HydrophobicContact CG-CD1 4.23Å; K6-L10 WeakPolarHBondContact O-CG 3.41Å; K6-L10 PolarHBondContact O-N 3.5Å; K6-L10 VanDerWaalsContact O-N 3.08Å; T7-L10 PolarHBondContact O-N 3.43Å; L10-Y12 VanDerWaalsContact C-N 3.31Å; L10-Y12 PolarHBondContact O-N 2.95Å; L10-F13 PolarHBondContact O-N 3.44Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 3.32Å; L10-L232 HydrophobicContact CD2-CD2 3.99Å; L10-C235 HydrophobicContact CD2-CB 4.3Å; L10-F236 HydrophobicContact CB-CB 4.49Å; L10-F236 HydrophobicContact CB-CD2 3.92Å; L10-F236 HydrophobicContact CD1-CB 4.44Å; L10-F236 HydrophobicContact CD1-CD2 4.36Å |
| 11 | K | 91.9 | Very high | 87 | Confident | 48 Ų | 48 | 76.7 Ų | 76.7 | 21% | 0.209 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 175.2 | -73.1 | -171.4 | 174.4 | -172.1 | 0 | 111.5 | T7 I8 N15 I78 E81 F236 | T7-K11 HydrophobicContact CG2-CD 4.23Å; T7-K11 HydrophobicContact CG2-CG 4.42Å; T7-K11 WeakPolarHBondContact O-CG 3.31Å; T7-K11 PolarHBondContact O-N 3Å; I8-K11 PolarHBondContact O-N 3.02Å; K11-N15 VanDerWaalsContact O-CB 3.24Å; K11-N15 WeakPolarHBondContact O-CB 3.4Å; K11-N15 PolarHBondContact O-N 3.36Å; K11-I78 HydrophobicContact CB-CG2 4.11Å; K11-I78 WeakPolarHBondContact CE-O 3.37Å; K11-I78 HydrophobicContact CG-CG2 3.82Å; K11-E81 WeakPolarHBondContact CE-OE1 3.41Å; K11-E81 IonicContact NZ-OE1 2.57Å; K11-E81 PolarHBondContact NZ-OE1 2.94Å; K11-F236 HydrophobicContact CD-CE2 4.32Å; K11-F236 HydrophobicContact CD-CZ 4.3Å; K11-F236 HydrophobicContact CG-CD2 4.46Å; K11-F236 HydrophobicContact CG-CE2 3.55Å; K11-F236 HydrophobicContact CG-CZ 3.76Å |
| 12 | Y | 92.9 | Very high | 88.7 | Confident | 145 Ų | 145 | 69.9 Ų | 69.9 | 57% | 0.569 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.2 | -52.8 | 179.7 | 176.3 | -98.5 | 0 | 0 | 0 | 111.7 | I8 I9 L10 L14 N15 L16 | I8-Y12 WeakPolarHBondContact O-CB 3.36Å; I8-Y12 PolarHBondContact O-N 3.08Å; I9-Y12 PolarHBondContact O-N 3.44Å; L10-Y12 VanDerWaalsContact C-N 3.31Å; L10-Y12 PolarHBondContact O-N 2.95Å; Y12-L14 PolarHBondContact O-N 3.46Å; Y12-N15 PolarHBondContact O-N 3.08Å; Y12-L16 HydrophobicContact CE1-CD2 4.36Å; Y12-L16 VanDerWaalsContact O-CB 3.28Å; Y12-L16 WeakPolarHBondContact O-CB 3.34Å; Y12-L16 PolarHBondContact O-N 3.09Å |
| 13 | F | 93 | Very high | 90.2 | Very high | 88 Ų | 88 | 66.7 Ų | 66.7 | 39% | 0.386 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | -179.9 | -78.5 | -68.7 | 0 | 0 | 0 | 112.8 | I9 L10 L16 I17 L232 | I9-F13 HydrophobicContact CG2-CD2 3.74Å; I9-F13 HydrophobicContact CG2-CE2 3.65Å; I9-F13 VanDerWaalsContact O-CD2 3.27Å; I9-F13 WeakPolarHBondContact O-CD2 3.35Å; I9-F13 PolarHBondContact O-N 3.32Å; I9-F13 VanDerWaalsContact O-N 3.09Å; L10-F13 PolarHBondContact O-N 3.44Å; F13-L16 PolarHBondContact O-N 3.35Å; F13-I17 WeakPolarHBondContact O-CG1 3.37Å; F13-I17 PolarHBondContact O-N 3.29Å; F13-L232 HydrophobicContact CB-CD1 4.01Å |
| 14 | L | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 177.8 | -75.9 | 167.9 | 0 | 0 | 0 | 112 | L10 Y12 N18 I78 L232 T233 F236 | L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 3.32Å; Y12-L14 PolarHBondContact O-N 3.46Å; L14-N18 WeakPolarHBondContact O-CB 3.32Å; L14-N18 PolarHBondContact O-N 3.11Å; L14-N18 PolarHBondContact O-ND2 3.19Å; L14-I78 HydrophobicContact CB-CD1 3.55Å; L14-I78 HydrophobicContact CB-CG1 4.29Å; L14-I78 HydrophobicContact CD1-CD1 4.33Å; L14-I78 HydrophobicContact CD1-CG1 4.25Å; L14-I78 HydrophobicContact CG-CD1 4.41Å; L14-L232 HydrophobicContact CD1-CB 4.46Å; L14-L232 HydrophobicContact CD2-CB 3.51Å; L14-L232 HydrophobicContact CD2-CD1 4.32Å; L14-L232 HydrophobicContact CG-CB 3.91Å; L14-L232 HydrophobicContact CG-CD1 4.49Å; L14-T233 WeakPolarHBondContact CD2-OG1 2.97Å; L14-F236 HydrophobicContact CD1-CB 3.89Å; L14-F236 HydrophobicContact CD1-CD1 4.28Å; L14-F236 HydrophobicContact CD1-CG 4.08Å |
| 15 | N | 93.4 | Very high | 92.6 | Very high | 45 Ų | 45 | 60.3 Ų | 60.3 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.1 | -33.1 | 176.7 | -77.2 | -5.8 | 0 | 0 | 0 | 112.4 | K11 Y12 G19 | K11-N15 VanDerWaalsContact O-CB 3.24Å; K11-N15 WeakPolarHBondContact O-CB 3.4Å; K11-N15 PolarHBondContact O-N 3.36Å; Y12-N15 PolarHBondContact O-N 3.08Å; N15-G19 WeakPolarHBondContact O-CA 3.39Å; N15-G19 PolarHBondContact O-N 3.45Å |
| 16 | L | 94.7 | Very high | 93.3 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 48% | 0.482 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 175.6 | -177.7 | 69.6 | 0 | 0 | 0 | 111 | Y12 F13 G19 A20 | Y12-L16 HydrophobicContact CE1-CD2 4.36Å; Y12-L16 VanDerWaalsContact O-CB 3.28Å; Y12-L16 WeakPolarHBondContact O-CB 3.34Å; Y12-L16 PolarHBondContact O-N 3.09Å; F13-L16 PolarHBondContact O-N 3.35Å; L16-G19 PolarHBondContact O-N 2.86Å; L16-A20 PolarHBondContact O-N 3.28Å |
| 17 | I | 93.8 | Very high | 93.9 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 16% | 0.159 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -48.3 | 179.4 | -64.8 | 166.4 | 0 | 0 | 0 | 110.4 | F13 G19 A20 F21 F228 Q229 L232 | F13-I17 WeakPolarHBondContact O-CG1 3.37Å; F13-I17 PolarHBondContact O-N 3.29Å; I17-G19 VanDerWaalsContact C-N 3.31Å; I17-G19 PolarHBondContact O-N 3.33Å; I17-A20 PolarHBondContact O-N 3.25Å; I17-F21 HydrophobicContact CG2-CD2 3.78Å; I17-F21 HydrophobicContact CG2-CE2 3.58Å; I17-F21 VanDerWaalsContact O-CD2 3.26Å; I17-F21 WeakPolarHBondContact O-CD2 3.43Å; I17-F21 PolarHBondContact O-N 3.14Å; I17-F21 VanDerWaalsContact O-N 3.1Å; I17-F228 HydrophobicContact CD1-CD1 3.64Å; I17-F228 HydrophobicContact CD1-CE1 3.74Å; I17-Q229 HydrophobicContact CG2-CG 4.45Å; I17-L232 HydrophobicContact CD1-CD1 4Å |
| 18 | N | 94.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.3 | -40 | 176.1 | -83.1 | -35.8 | 0 | 0 | 0 | 112.7 | L14 F21 M22 I78 Y89 Q229 | L14-N18 WeakPolarHBondContact O-CB 3.32Å; L14-N18 PolarHBondContact O-N 3.11Å; L14-N18 PolarHBondContact O-ND2 3.19Å; N18-F21 PolarHBondContact O-N 3.28Å; N18-M22 VanDerWaalsContact O-CB 3.25Å; N18-M22 WeakPolarHBondContact O-CB 3.15Å; N18-M22 PolarHBondContact O-N 2.91Å; N18-I78 WeakPolarHBondContact ND2-CD1 3.4Å; N18-Y89 PolarHBondContact ND2-OH 3.17Å; N18-Y89 PolarHBondContact OD1-OH 3.28Å; N18-Q229 PolarHBondContact OD1-NE2 3.05Å |
| 19 | G | 95.2 | Very high | 94.9 | Very high | 32 Ų | 32 | 60.7 Ų | 60.7 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N15 L16 I17 M22 V23 | N15-G19 WeakPolarHBondContact O-CA 3.39Å; N15-G19 PolarHBondContact O-N 3.45Å; L16-G19 PolarHBondContact O-N 2.86Å; I17-G19 VanDerWaalsContact C-N 3.31Å; I17-G19 PolarHBondContact O-N 3.33Å; G19-M22 PolarHBondContact O-N 3.33Å; G19-V23 WeakPolarHBondContact O-CG2 3.43Å; G19-V23 PolarHBondContact O-N 3.46Å |
| 20 | A | 95.6 | Very high | 95 | Very high | 57 Ų | 57 | 58.2 Ų | 58.2 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L16 I17 M22 V23 L24 | L16-A20 PolarHBondContact O-N 3.28Å; I17-A20 PolarHBondContact O-N 3.25Å; A20-M22 VanDerWaalsContact C-N 3.33Å; A20-M22 PolarHBondContact O-N 2.86Å; A20-V23 PolarHBondContact O-N 2.92Å; A20-L24 WeakPolarHBondContact O-CG 3.24Å; A20-L24 PolarHBondContact O-N 3.21Å |
| 21 | F | 95.5 | Very high | 95.1 | Very high | 53 Ų | 53 | 63 Ų | 63 | 23% | 0.232 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.3 | -35.2 | 176 | -75.6 | -66.3 | 0 | 0 | 0 | 112.9 | I17 N18 L24 G25 T67 C71 L222 | I17-F21 HydrophobicContact CG2-CD2 3.78Å; I17-F21 HydrophobicContact CG2-CE2 3.58Å; I17-F21 VanDerWaalsContact O-CD2 3.26Å; I17-F21 WeakPolarHBondContact O-CD2 3.43Å; I17-F21 PolarHBondContact O-N 3.14Å; I17-F21 VanDerWaalsContact O-N 3.1Å; N18-F21 PolarHBondContact O-N 3.28Å; F21-L24 HydrophobicContact CD1-CD1 4.33Å; F21-L24 PolarHBondContact O-N 2.98Å; F21-G25 PolarHBondContact O-N 3.32Å; F21-T67 HydrophobicContact CB-CG2 4.48Å; F21-C71 VanDerWaalsContact CB-SG 3.54Å; F21-L222 HydrophobicContact CE1-CD1 4.24Å; F21-L222 HydrophobicContact CZ-CD1 4.4Å |
| 22 | M | 96.8 | Very high | 95.1 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 28% | 0.281 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.5 | -172.6 | 175 | 179.3 | 0 | 0 | 111.4 | N18 G19 A20 G25 L26 V68 C71 L72 | N18-M22 VanDerWaalsContact O-CB 3.25Å; N18-M22 WeakPolarHBondContact O-CB 3.15Å; N18-M22 PolarHBondContact O-N 2.91Å; G19-M22 PolarHBondContact O-N 3.33Å; A20-M22 VanDerWaalsContact C-N 3.33Å; A20-M22 PolarHBondContact O-N 2.86Å; M22-G25 PolarHBondContact O-N 3.2Å; M22-L26 HydrophobicContact CG-CD1 4.48Å; M22-L26 WeakPolarHBondContact O-CG 3.25Å; M22-L26 PolarHBondContact O-N 3.35Å; M22-V68 HydrophobicContact CE-CG1 4.35Å; M22-C71 HydrophobicContact CB-CB 3.85Å; M22-C71 HydrophobicContact CG-CB 4.34Å; M22-L72 HydrophobicContact CE-CD2 3.69Å; M22-L72 HydrophobicContact CE-CG 4.22Å; M22-L72 HydrophobicContact SD-CD2 4.36Å |
| 23 | V | 97.6 | Very high | 95 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 174.4 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | G19 A20 G25 L26 L27 | G19-V23 WeakPolarHBondContact O-CG2 3.43Å; G19-V23 PolarHBondContact O-N 3.46Å; A20-V23 PolarHBondContact O-N 2.92Å; V23-G25 VanDerWaalsContact C-N 3.33Å; V23-G25 PolarHBondContact O-N 3.03Å; V23-L26 PolarHBondContact O-N 3.49Å; V23-L27 HydrophobicContact CG1-CD1 4.18Å; V23-L27 HydrophobicContact CG1-CG 4.45Å; V23-L27 VanDerWaalsContact O-CG 3.32Å; V23-L27 WeakPolarHBondContact O-CG 3.4Å; V23-L27 PolarHBondContact O-N 2.94Å |
| 24 | L | 96.3 | Very high | 94.9 | Very high | 86 Ų | 86 | 59 Ų | 59 | 45% | 0.45 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 175.2 | -69.8 | 172.2 | 0 | 0 | 0 | 112.2 | A20 F21 L27 F28 | A20-L24 WeakPolarHBondContact O-CG 3.24Å; A20-L24 PolarHBondContact O-N 3.21Å; F21-L24 HydrophobicContact CD1-CD1 4.33Å; F21-L24 PolarHBondContact O-N 2.98Å; L24-L27 PolarHBondContact O-N 2.86Å; L24-F28 WeakPolarHBondContact O-CD2 3.46Å; L24-F28 PolarHBondContact O-N 3.4Å |
| 25 | G | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | F21 M22 V23 L27 F28 M29 G64 | F21-G25 PolarHBondContact O-N 3.32Å; M22-G25 PolarHBondContact O-N 3.2Å; V23-G25 VanDerWaalsContact C-N 3.33Å; V23-G25 PolarHBondContact O-N 3.03Å; G25-L27 VanDerWaalsContact C-N 3.35Å; G25-F28 PolarHBondContact O-N 3.47Å; G25-M29 WeakPolarHBondContact O-CB 3.44Å; G25-M29 PolarHBondContact O-N 3.49Å; G25-G64 VanDerWaalsContact O-CA 3.32Å; G25-G64 WeakPolarHBondContact O-CA 3.28Å |
| 26 | L | 97.7 | Very high | 94.1 | Very high | 87 Ų | 87 | 61 Ų | 61 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 174.3 | -71.9 | 172.2 | 0 | 0 | 0 | 112.1 | M22 V23 M29 G30 V68 | M22-L26 HydrophobicContact CG-CD1 4.48Å; M22-L26 WeakPolarHBondContact O-CG 3.25Å; M22-L26 PolarHBondContact O-N 3.35Å; V23-L26 PolarHBondContact O-N 3.49Å; L26-M29 PolarHBondContact O-N 2.87Å; L26-G30 PolarHBondContact O-N 2.97Å; L26-V68 HydrophobicContact CD2-CG2 4.02Å; L26-V68 HydrophobicContact CG-CG2 3.97Å |
| 27 | L | 97.7 | Very high | 93.5 | Very high | 111 Ų | 111 | 61.2 Ų | 61.2 | 58% | 0.581 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 174.5 | -71.3 | 173.2 | 0 | 0 | 0 | 111.5 | V23 L24 G25 G30 F31 | V23-L27 HydrophobicContact CG1-CD1 4.18Å; V23-L27 HydrophobicContact CG1-CG 4.45Å; V23-L27 VanDerWaalsContact O-CG 3.32Å; V23-L27 WeakPolarHBondContact O-CG 3.4Å; V23-L27 PolarHBondContact O-N 2.94Å; L24-L27 PolarHBondContact O-N 2.86Å; G25-L27 VanDerWaalsContact C-N 3.35Å; L27-G30 PolarHBondContact O-N 3.47Å; L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.42Å; L27-F31 PolarHBondContact O-N 3.12Å |
| 28 | F | 95.9 | Very high | 92.7 | Very high | 84 Ų | 84 | 63.7 Ų | 63.7 | 37% | 0.368 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.1 | -72.9 | -43.3 | 0 | 0 | 0 | 112.4 | L24 G25 G32 L60 M63 | L24-F28 WeakPolarHBondContact O-CD2 3.46Å; L24-F28 PolarHBondContact O-N 3.4Å; G25-F28 PolarHBondContact O-N 3.47Å; F28-G32 PolarHBondContact O-N 3.47Å; F28-L60 HydrophobicContact CD1-CD2 3.98Å; F28-M63 HydrophobicContact CD1-CE 4.37Å; F28-M63 HydrophobicContact CD2-CE 3.86Å; F28-M63 HydrophobicContact CE1-CE 4.41Å; F28-M63 HydrophobicContact CE2-CE 3.89Å; F28-M63 HydrophobicContact CG-CE 4.12Å; F28-M63 HydrophobicContact CZ-CE 4.18Å |
| 29 | M | 96.2 | Very high | 91.3 | Very high | 59 Ų | 59 | 67.2 Ų | 67.2 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 176 | -175.3 | -174.8 | -63.4 | 0 | 0 | 111.6 | G25 L26 G32 A33 | G25-M29 WeakPolarHBondContact O-CB 3.44Å; G25-M29 PolarHBondContact O-N 3.49Å; L26-M29 PolarHBondContact O-N 2.87Å; M29-G32 PolarHBondContact O-N 3.31Å; M29-A33 VanDerWaalsContact O-CB 3.28Å; M29-A33 WeakPolarHBondContact O-CB 3.11Å; M29-A33 PolarHBondContact O-N 3.46Å |
| 30 | G | 94.9 | Very high | 89.6 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 42% | 0.423 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L26 L27 A33 W34 | L26-G30 PolarHBondContact O-N 2.97Å; L27-G30 PolarHBondContact O-N 3.47Å; G30-A33 PolarHBondContact O-N 3.31Å; G30-W34 VanDerWaalsContact O-CB 3.3Å; G30-W34 WeakPolarHBondContact O-CB 3.44Å; G30-W34 PolarHBondContact O-N 2.9Å |
| 31 | F | 93.3 | Very high | 87.9 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 52% | 0.518 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 176.4 | -174.1 | -115 | 0 | 0 | 0 | 112 | L27 W34 L35 L60 | L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.42Å; L27-F31 PolarHBondContact O-N 3.12Å; F31-W34 WeakPolarHBondContact O-CB 3.38Å; F31-W34 PolarHBondContact O-N 3.45Å; F31-L35 HydrophobicContact CD1-CD1 4.07Å; F31-L35 HydrophobicContact CE1-CD1 3.67Å; F31-L35 HydrophobicContact CE1-CG 4.32Å; F31-L35 HydrophobicContact CZ-CD1 4.03Å; F31-L35 HydrophobicContact CZ-CD2 4.3Å; F31-L35 HydrophobicContact CZ-CG 4.26Å; F31-L35 WeakPolarHBondContact O-CG 3.46Å; F31-L35 PolarHBondContact O-N 3.48Å; F31-L60 HydrophobicContact CD1-CD1 3.7Å; F31-L60 HydrophobicContact CE1-CD1 4.07Å |
| 32 | G | 91.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F28 M29 L35 L36 S57 | F28-G32 PolarHBondContact O-N 3.47Å; M29-G32 PolarHBondContact O-N 3.31Å; G32-L35 PolarHBondContact O-N 3.26Å; G32-L36 PolarHBondContact O-N 3.04Å; G32-L36 VanDerWaalsContact O-N 3.15Å; G32-S57 VanDerWaalsContact O-CB 3.28Å; G32-S57 WeakPolarHBondContact O-CB 3.31Å |
| 33 | A | 91.3 | Very high | 83.1 | Confident | 34 Ų | 34 | 78.7 Ų | 78.7 | 28% | 0.281 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M29 G30 L35 L36 L37 I61 | M29-A33 VanDerWaalsContact O-CB 3.28Å; M29-A33 WeakPolarHBondContact O-CB 3.11Å; M29-A33 PolarHBondContact O-N 3.46Å; G30-A33 PolarHBondContact O-N 3.31Å; A33-L35 PolarHBondContact O-N 3.23Å; A33-L36 PolarHBondContact O-N 2.98Å; A33-L37 WeakPolarHBondContact O-CB 3.37Å; A33-L37 VanDerWaalsContact O-CG 3.32Å; A33-L37 WeakPolarHBondContact O-CG 3.43Å; A33-L37 PolarHBondContact O-N 2.87Å; A33-I61 HydrophobicContact CB-CD1 4.49Å |
| 34 | W | 90.3 | Very high | 80.6 | Confident | 164 Ų | 164 | 81.8 Ų | 81.8 | 62% | 0.621 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -57.3 | -48 | 173.9 | 179.5 | -90.1 | 0 | 0 | 0 | 111.3 | G30 F31 L36 L37 D38 | G30-W34 VanDerWaalsContact O-CB 3.3Å; G30-W34 WeakPolarHBondContact O-CB 3.44Å; G30-W34 PolarHBondContact O-N 2.9Å; F31-W34 WeakPolarHBondContact O-CB 3.38Å; F31-W34 PolarHBondContact O-N 3.45Å; W34-L36 VanDerWaalsContact C-N 3.28Å; W34-L36 PolarHBondContact O-N 3.46Å; W34-L37 PolarHBondContact O-N 3.33Å; W34-D38 VanDerWaalsContact O-CB 3.24Å; W34-D38 WeakPolarHBondContact O-CB 3.48Å; W34-D38 PolarHBondContact O-N 2.64Å |
| 35 | L | 85.9 | Confident | 78.1 | Confident | 42 Ų | 42 | 79.5 Ų | 79.5 | 22% | 0.22 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59 | -36.4 | 176.7 | -71.7 | 173 | 0 | 0 | 0 | 112.9 | F31 G32 A33 R39 I53 I56 L60 | F31-L35 HydrophobicContact CD1-CD1 4.07Å; F31-L35 HydrophobicContact CE1-CD1 3.67Å; F31-L35 HydrophobicContact CE1-CG 4.32Å; F31-L35 HydrophobicContact CZ-CD1 4.03Å; F31-L35 HydrophobicContact CZ-CD2 4.3Å; F31-L35 HydrophobicContact CZ-CG 4.26Å; F31-L35 WeakPolarHBondContact O-CG 3.46Å; F31-L35 PolarHBondContact O-N 3.48Å; G32-L35 PolarHBondContact O-N 3.26Å; A33-L35 PolarHBondContact O-N 3.23Å; L35-R39 PolarHBondContact O-N 2.96Å; L35-I53 HydrophobicContact CB-CG2 4.21Å; L35-I56 HydrophobicContact CD1-CG2 4.43Å; L35-L60 HydrophobicContact CD1-CD1 3.91Å |
| 36 | L | 83.2 | Confident | 75.8 | Confident | 45 Ų | 45 | 85.6 Ų | 85.6 | 24% | 0.236 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -73.4 | -38 | 175.3 | -75.2 | 177.2 | 0 | 0 | 0 | 113.4 | G32 A33 W34 R39 N40 V54 S57 I61 | G32-L36 PolarHBondContact O-N 3.04Å; G32-L36 VanDerWaalsContact O-N 3.15Å; A33-L36 PolarHBondContact O-N 2.98Å; W34-L36 VanDerWaalsContact C-N 3.28Å; W34-L36 PolarHBondContact O-N 3.46Å; L36-R39 WeakPolarHBondContact O-CB 3.39Å; L36-N40 PolarHBondContact O-N 3.45Å; L36-N40 VanDerWaalsContact O-N 3.14Å; L36-V54 HydrophobicContact CD2-CG2 4.12Å; L36-S57 WeakPolarHBondContact CD2-OG 3.42Å; L36-S57 VanDerWaalsContact CG-OG 3.27Å; L36-S57 WeakPolarHBondContact CG-OG 3.46Å; L36-I61 HydrophobicContact CD1-CD1 3.42Å; L36-I61 VanDerWaalsContact CD1-CD1 3.42Å; L36-I61 HydrophobicContact CG-CD1 4.38Å |
| 37 | L | 82.1 | Confident | 73.6 | Confident | 96 Ų | 96 | 87 Ų | 87 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -77.8 | -40.3 | -177.6 | -70.5 | 175.4 | 0 | 0 | 0 | 112.2 | A33 W34 R39 N40 N41 | A33-L37 WeakPolarHBondContact O-CB 3.37Å; A33-L37 VanDerWaalsContact O-CG 3.32Å; A33-L37 WeakPolarHBondContact O-CG 3.43Å; A33-L37 PolarHBondContact O-N 2.87Å; W34-L37 PolarHBondContact O-N 3.33Å; L37-R39 PolarHBondContact O-N 3.29Å; L37-N40 WeakPolarHBondContact O-CA 3.32Å; L37-N40 PolarHBondContact O-N 3.35Å; L37-N41 PolarHBondContact O-N 2.93Å |
| 38 | D | 77.2 | Confident | 71.5 | Confident | 82 Ų | 82 | 84.6 Ų | 84.6 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.3 | -40.1 | 174.4 | -167.8 | 52.9 | 0 | 0 | 0 | 110 | W34 N41 F42 | W34-D38 VanDerWaalsContact O-CB 3.24Å; W34-D38 WeakPolarHBondContact O-CB 3.48Å; W34-D38 PolarHBondContact O-N 2.64Å; D38-N41 PolarHBondContact O-N 3.26Å; D38-F42 WeakPolarHBondContact O-CB 3.49Å; D38-F42 PolarHBondContact O-N 3.39Å; D38-F42 VanDerWaalsContact O-N 3.08Å |
| 39 | R | 65.4 | Low | 69.6 | Low | 78 Ų | 78 | 84.4 Ų | 84.4 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -54.1 | -57.8 | 166.2 | 178.9 | -163.1 | 175 | -149.4 | -0.2 | 111 | L35 L36 L37 N41 F42 L43 | L35-R39 PolarHBondContact O-N 2.96Å; L36-R39 WeakPolarHBondContact O-CB 3.39Å; L37-R39 PolarHBondContact O-N 3.29Å; R39-N41 VanDerWaalsContact C-N 3.27Å; R39-N41 PolarHBondContact O-N 3.03Å; R39-F42 CarbonylContact O-C 3.39Å; R39-F42 WeakPolarHBondContact O-CA 3.34Å; R39-F42 PolarHBondContact O-N 3.24Å; R39-L43 HydrophobicContact CG-CD2 4.09Å; R39-L43 HydrophobicContact CG-CG 4.48Å; R39-L43 VanDerWaalsContact O-CG 3.31Å; R39-L43 WeakPolarHBondContact O-CG 3.5Å; R39-L43 PolarHBondContact O-N 3.49Å |
| 40 | N | 59.5 | Low | 67.9 | Low | 86 Ų | 86 | 82.3 Ų | 82.3 | 46% | 0.46 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.4 | -35.3 | -175.7 | -77.9 | -0 | 0 | 0 | 0 | 113.9 | L36 L37 L43 | L36-N40 PolarHBondContact O-N 3.45Å; L36-N40 VanDerWaalsContact O-N 3.14Å; L37-N40 WeakPolarHBondContact O-CA 3.32Å; L37-N40 PolarHBondContact O-N 3.35Å; N40-L43 HydrophobicContact CB-CD1 4.39Å |
| 41 | N | 59.2 | Low | 66.5 | Low | 144 Ų | 144 | 84.6 Ų | 84.6 | 77% | 0.77 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -77 | -23.7 | 176.5 | -69.9 | -25.8 | 0 | 0 | 0 | 112.9 | L37 D38 R39 | L37-N41 PolarHBondContact O-N 2.93Å; D38-N41 PolarHBondContact O-N 3.26Å; R39-N41 VanDerWaalsContact C-N 3.27Å; R39-N41 PolarHBondContact O-N 3.03Å |
| 42 | F | 46.6 | Very low | 65.4 | Low | 124 Ų | 124 | 81.3 Ų | 81.3 | 54% | 0.544 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 9.7 | 176.4 | -132.2 | -77.6 | 0 | 0 | 0 | 113.5 | D38 R39 T44 A45 F46 | D38-F42 WeakPolarHBondContact O-CB 3.49Å; D38-F42 PolarHBondContact O-N 3.39Å; D38-F42 VanDerWaalsContact O-N 3.08Å; R39-F42 CarbonylContact O-C 3.39Å; R39-F42 WeakPolarHBondContact O-CA 3.34Å; R39-F42 PolarHBondContact O-N 3.24Å; F42-T44 PolarHBondContact O-N 3.26Å; F42-A45 HydrophobicContact CD1-CB 4.29Å; F42-A45 HydrophobicContact CE1-CB 4.18Å; F42-A45 PolarHBondContact O-N 3Å; F42-F46 AromaticContact CD1-CD2 3.83Å; F42-F46 HydrophobicContact CD1-CD2 3.83Å; F42-F46 HydrophobicContact CD1-CE2 4.11Å; F42-F46 AromaticContact CE1-CD2 3.78Å; F42-F46 HydrophobicContact CE1-CD2 3.78Å; F42-F46 AromaticContact CE1-CE2 3.56Å; F42-F46 HydrophobicContact CE1-CE2 3.56Å; F42-F46 HydrophobicContact CZ-CE2 4.48Å |
| 43 | L | 45.5 | Very low | 64.6 | Low | 86 Ų | 86 | 83.9 Ų | 83.9 | 45% | 0.45 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 66.2 | -179.8 | -77.1 | 179.6 | 0 | 0 | 0 | 113.3 | R39 N40 | R39-L43 HydrophobicContact CG-CD2 4.09Å; R39-L43 HydrophobicContact CG-CG 4.48Å; R39-L43 VanDerWaalsContact O-CG 3.31Å; R39-L43 WeakPolarHBondContact O-CG 3.5Å; R39-L43 PolarHBondContact O-N 3.49Å; N40-L43 HydrophobicContact CB-CD1 4.39Å |
| 44 | T | 45.7 | Very low | 64 | Low | 150 Ų | 150 | 83.4 Ų | 83.4 | 92% | 0.92 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.8 | -7.7 | 148.7 | 27.1 | 0 | 0 | 0 | 0 | 112.6 | F42 | F42-T44 PolarHBondContact O-N 3.26Š|
| 45 | A | 43.9 | Very low | 63.5 | Low | 39 Ų | 39 | 76.6 Ų | 76.6 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -123.7 | -14 | -162 | 0 | 0 | 0 | 0 | 0 | 117.6 | F42 R184 | F42-A45 HydrophobicContact CD1-CB 4.29Å; F42-A45 HydrophobicContact CE1-CB 4.18Å; F42-A45 PolarHBondContact O-N 3Å; A45-R184 PolarHBondContact O-NH1 2.92Å; A45-R184 PolarHBondContact O-NH2 3.48Å |
| 46 | F | 48.3 | Very low | 63.3 | Low | 128 Ų | 128 | 77.6 Ų | 77.6 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | trans | -143.9 | 116.9 | -172.8 | -68.5 | -88.1 | 0 | 0 | 0 | 113.1 | F42 N50 R184 | F42-F46 AromaticContact CD1-CD2 3.83Å; F42-F46 HydrophobicContact CD1-CD2 3.83Å; F42-F46 HydrophobicContact CD1-CE2 4.11Å; F42-F46 AromaticContact CE1-CD2 3.78Å; F42-F46 HydrophobicContact CE1-CD2 3.78Å; F42-F46 AromaticContact CE1-CE2 3.56Å; F42-F46 HydrophobicContact CE1-CE2 3.56Å; F42-F46 HydrophobicContact CZ-CE2 4.48Å; F46-N50 VanDerWaalsContact O-CG 3.3Å; F46-N50 PolarHBondContact O-ND2 2.98Å; F46-N50 PolarHBondContact O-OD1 2.97Å; F46-R184 VanDerWaalsContact CE1-NH2 3.29Å | ||
| 47 | D | 52.8 | Low | 63.5 | Low | 117 Ų | 117 | 75.4 Ų | 75.4 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | trans | -113.8 | -13.4 | -167.1 | -148.5 | 19.8 | 0 | 0 | 0 | 116.8 | N50 | D47-N50 PolarHBondContact OD1-ND2 3.16Š| ||
| 48 | E | 52.4 | Low | 63.8 | Low | 60 Ų | 60 | 76.4 Ų | 76.4 | 28% | 0.28 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -94.5 | -29.4 | -175.9 | -81.7 | 179.2 | 164.6 | 0 | 0 | 115.2 | N50 T142 R184 K185 | E48-N50 VanDerWaalsContact C-N 3.27Å; E48-N50 PolarHBondContact O-N 2.93Å; E48-T142 WeakPolarHBondContact O-CG2 3.44Å; E48-R184 WeakPolarHBondContact OE1-CA 3.32Å; E48-R184 WeakPolarHBondContact OE2-CA 3.37Å; E48-K185 VanDerWaalsContact OE1-C 3.32Å; E48-K185 WeakPolarHBondContact OE1-CA 3.37Å; E48-K185 PolarHBondContact OE1-N 2.73Å |
| 49 | N | 55.3 | Low | 64.5 | Low | 79 Ų | 79 | 78 Ų | 78 | 42% | 0.422 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -84.8 | -1 | 177.2 | -75.9 | -2.4 | 0 | 0 | 0 | 113.4 | H51 I53 | N49-H51 PolarHBondContact O-N 3.28Å; N49-I53 HydrophobicContact CB-CD1 4.12Å; N49-I53 WeakPolarHBondContact O-CG1 3.38Å; N49-I53 PolarHBondContact O-N 2.86Å; N49-I53 VanDerWaalsContact O-N 3.14Å |
| 50 | N | 62 | Low | 65.8 | Low | 16 Ų | 16 | 75.4 Ų | 75.4 | 9% | 0.086 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.5 | -43.5 | -171.3 | -80 | -17.4 | 0 | 0 | 0 | 112.5 | F46 D47 E48 V54 | F46-N50 VanDerWaalsContact O-CG 3.3Å; F46-N50 PolarHBondContact O-ND2 2.98Å; F46-N50 PolarHBondContact O-OD1 2.97Å; D47-N50 PolarHBondContact OD1-ND2 3.16Å; E48-N50 VanDerWaalsContact C-N 3.27Å; E48-N50 PolarHBondContact O-N 2.93Å; N50-V54 VanDerWaalsContact O-CB 3.32Å; N50-V54 WeakPolarHBondContact O-CB 3.4Å; N50-V54 WeakPolarHBondContact O-CG2 3.24Å; N50-V54 PolarHBondContact O-N 3.42Å |
| 51 | H | 65.9 | Low | 67.5 | Low | 89 Ų | 89 | 73.5 Ų | 73.5 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.1 | -40.9 | -177 | -76.2 | -84.8 | 0 | 0 | 0 | 112.5 | N49 V54 S55 T142 | N49-H51 PolarHBondContact O-N 3.28Å; H51-V54 PolarHBondContact O-N 3.07Å; H51-S55 PolarHBondContact O-N 3.34Å; H51-S55 PolarHBondContact O-OG 3.34Å; H51-S55 VanDerWaalsContact O-OG 3.06Å; H51-T142 HydrophobicContact CB-CG2 4.16Å |
| 52 | F | 69 | Low | 69.3 | Low | 48 Ų | 48 | 68.2 Ų | 68.2 | 21% | 0.211 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.4 | -46 | 177.3 | 175.3 | -111.1 | 0 | 0 | 0 | 112.9 | V54 S55 I56 T142 I143 A146 | F52-V54 PolarHBondContact O-N 2.73Å; F52-S55 PolarHBondContact O-N 3.49Å; F52-I56 HydrophobicContact CD1-CD1 3.98Å; F52-I56 HydrophobicContact CD2-CD1 4.08Å; F52-I56 HydrophobicContact CD2-CG1 4.32Å; F52-I56 HydrophobicContact CE1-CD1 3.34Å; F52-I56 HydrophobicContact CE1-CG1 4.44Å; F52-I56 HydrophobicContact CE2-CD1 3.48Å; F52-I56 VanDerWaalsContact CE2-CD1 3.48Å; F52-I56 HydrophobicContact CE2-CG1 4.04Å; F52-I56 HydrophobicContact CG-CD1 4.35Å; F52-I56 HydrophobicContact CZ-CD1 3.1Å; F52-I56 HydrophobicContact CZ-CG1 4.14Å; F52-I56 PolarHBondContact O-N 3.07Å; F52-T142 HydrophobicContact CB-CG2 3.56Å; F52-I143 HydrophobicContact CD2-CB 4.01Å; F52-I143 HydrophobicContact CD2-CG1 3.53Å; F52-I143 HydrophobicContact CD2-CG2 4.45Å; F52-I143 HydrophobicContact CE2-CB 4.2Å; F52-I143 HydrophobicContact CE2-CG1 3.95Å; F52-I143 HydrophobicContact CE2-CG2 4.13Å; F52-A146 HydrophobicContact CB-CB 4.49Å; F52-A146 HydrophobicContact CD1-CB 3.44Å; F52-A146 VanDerWaalsContact CD1-CB 3.44Å; F52-A146 HydrophobicContact CD2-CB 4.08Å; F52-A146 HydrophobicContact CE1-CB 3.35Å; F52-A146 HydrophobicContact CE2-CB 4Å; F52-A146 HydrophobicContact CG-CB 3.77Å; F52-A146 HydrophobicContact CZ-CB 3.6Å |
| 53 | I | 75.3 | Confident | 71.6 | Confident | 54 Ų | 54 | 66.2 Ų | 66.2 | 28% | 0.277 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 176.8 | -66.9 | 171.1 | 0 | 0 | 0 | 109.8 | L35 N49 S57 | L35-I53 HydrophobicContact CB-CG2 4.21Å; N49-I53 HydrophobicContact CB-CD1 4.12Å; N49-I53 WeakPolarHBondContact O-CG1 3.38Å; N49-I53 PolarHBondContact O-N 2.86Å; N49-I53 VanDerWaalsContact O-N 3.14Å; I53-S57 WeakPolarHBondContact O-CB 3.18Å; I53-S57 PolarHBondContact O-N 3.43Å; I53-S57 PolarHBondContact O-OG 3.17Å |
| 54 | V | 78.5 | Confident | 74 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 15% | 0.145 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 173.9 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | L36 N50 H51 F52 S57 Q58 | L36-V54 HydrophobicContact CD2-CG2 4.12Å; N50-V54 VanDerWaalsContact O-CB 3.32Å; N50-V54 WeakPolarHBondContact O-CB 3.4Å; N50-V54 WeakPolarHBondContact O-CG2 3.24Å; N50-V54 PolarHBondContact O-N 3.42Å; H51-V54 PolarHBondContact O-N 3.07Å; F52-V54 PolarHBondContact O-N 2.73Å; V54-S57 WeakPolarHBondContact CA-OG 3.38Å; V54-S57 PolarHBondContact O-N 2.98Å; V54-S57 PolarHBondContact O-OG 2.93Å; V54-Q58 HydrophobicContact CG1-CG 4.31Å; V54-Q58 VanDerWaalsContact O-CB 3.32Å; V54-Q58 WeakPolarHBondContact O-CB 3.24Å; V54-Q58 WeakPolarHBondContact O-CG 3.39Å; V54-Q58 PolarHBondContact O-N 2.69Å |
| 55 | S | 79.1 | Confident | 76.5 | Confident | 22 Ų | 22 | 57 Ų | 57 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 179.1 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | H51 F52 Q58 I59 T139 | H51-S55 PolarHBondContact O-N 3.34Å; H51-S55 PolarHBondContact O-OG 3.34Å; H51-S55 VanDerWaalsContact O-OG 3.06Å; F52-S55 PolarHBondContact O-N 3.49Å; S55-Q58 PolarHBondContact O-N 2.91Å; S55-I59 VanDerWaalsContact O-CG1 3.29Å; S55-I59 WeakPolarHBondContact O-CG1 3.26Å; S55-I59 PolarHBondContact O-N 2.96Å; S55-T139 WeakPolarHBondContact OG-CG2 3.42Å |
| 56 | I | 82.9 | Confident | 78.9 | Confident | 62 Ų | 62 | 57.3 Ų | 57.3 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 176.7 | -75.7 | -176.4 | 0 | 0 | 0 | 111 | L35 F52 Q58 I59 L60 | L35-I56 HydrophobicContact CD1-CG2 4.43Å; F52-I56 HydrophobicContact CD1-CD1 3.98Å; F52-I56 HydrophobicContact CD2-CD1 4.08Å; F52-I56 HydrophobicContact CD2-CG1 4.32Å; F52-I56 HydrophobicContact CE1-CD1 3.34Å; F52-I56 HydrophobicContact CE1-CG1 4.44Å; F52-I56 HydrophobicContact CE2-CD1 3.48Å; F52-I56 VanDerWaalsContact CE2-CD1 3.48Å; F52-I56 HydrophobicContact CE2-CG1 4.04Å; F52-I56 HydrophobicContact CG-CD1 4.35Å; F52-I56 HydrophobicContact CZ-CD1 3.1Å; F52-I56 HydrophobicContact CZ-CG1 4.14Å; F52-I56 PolarHBondContact O-N 3.07Å; I56-Q58 VanDerWaalsContact C-N 3.34Å; I56-Q58 PolarHBondContact O-N 2.6Å; I56-I59 PolarHBondContact O-N 3.27Å; I56-L60 HydrophobicContact CG2-CD1 3.76Å; I56-L60 HydrophobicContact CG2-CG 4.29Å; I56-L60 WeakPolarHBondContact O-CG 3.41Å; I56-L60 PolarHBondContact O-N 3.45Å |
| 57 | S | 87.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -38.2 | -180 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | G32 L36 I53 V54 L60 I61 | G32-S57 VanDerWaalsContact O-CB 3.28Å; G32-S57 WeakPolarHBondContact O-CB 3.31Å; L36-S57 WeakPolarHBondContact CD2-OG 3.42Å; L36-S57 VanDerWaalsContact CG-OG 3.27Å; L36-S57 WeakPolarHBondContact CG-OG 3.46Å; I53-S57 WeakPolarHBondContact O-CB 3.18Å; I53-S57 PolarHBondContact O-N 3.43Å; I53-S57 PolarHBondContact O-OG 3.17Å; V54-S57 WeakPolarHBondContact CA-OG 3.38Å; V54-S57 PolarHBondContact O-N 2.98Å; V54-S57 PolarHBondContact O-OG 2.93Å; S57-L60 PolarHBondContact O-N 3.05Å; S57-I61 WeakPolarHBondContact O-CB 3.2Å; S57-I61 VanDerWaalsContact O-CG1 3.24Å; S57-I61 WeakPolarHBondContact O-CG1 3.29Å; S57-I61 PolarHBondContact O-N 3.34Å |
| 58 | Q | 88.4 | Confident | 83.3 | Confident | 117 Ų | 117 | 48 Ų | 48 | 55% | 0.547 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 172.5 | -76.3 | 174.3 | -34.9 | 0 | 0 | 112 | V54 S55 I56 G62 | V54-Q58 HydrophobicContact CG1-CG 4.31Å; V54-Q58 VanDerWaalsContact O-CB 3.32Å; V54-Q58 WeakPolarHBondContact O-CB 3.24Å; V54-Q58 WeakPolarHBondContact O-CG 3.39Å; V54-Q58 PolarHBondContact O-N 2.69Å; S55-Q58 PolarHBondContact O-N 2.91Å; I56-Q58 VanDerWaalsContact C-N 3.34Å; I56-Q58 PolarHBondContact O-N 2.6Å; Q58-G62 PolarHBondContact O-N 3.08Å |
| 59 | I | 90.9 | Very high | 85.3 | Confident | 114 Ų | 114 | 50.1 Ų | 50.1 | 59% | 0.585 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.8 | -46 | 175.9 | -67.9 | 164.6 | 0 | 0 | 0 | 110.6 | S55 I56 G62 M63 | S55-I59 VanDerWaalsContact O-CG1 3.29Å; S55-I59 WeakPolarHBondContact O-CG1 3.26Å; S55-I59 PolarHBondContact O-N 2.96Å; I56-I59 PolarHBondContact O-N 3.27Å; I59-G62 PolarHBondContact O-N 3.5Å; I59-M63 VanDerWaalsContact O-CB 3.27Å; I59-M63 WeakPolarHBondContact O-CB 3.35Å; I59-M63 PolarHBondContact O-N 3.31Å |
| 60 | L | 93.6 | Very high | 87.2 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 13% | 0.131 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 179 | -73.5 | 170 | 0 | 0 | 0 | 112.4 | F28 F31 L35 I56 S57 M63 G64 | F28-L60 HydrophobicContact CD1-CD2 3.98Å; F31-L60 HydrophobicContact CD1-CD1 3.7Å; F31-L60 HydrophobicContact CE1-CD1 4.07Å; L35-L60 HydrophobicContact CD1-CD1 3.91Å; I56-L60 HydrophobicContact CG2-CD1 3.76Å; I56-L60 HydrophobicContact CG2-CG 4.29Å; I56-L60 WeakPolarHBondContact O-CG 3.41Å; I56-L60 PolarHBondContact O-N 3.45Å; S57-L60 PolarHBondContact O-N 3.05Å; L60-M63 HydrophobicContact CD2-CE 4.46Å; L60-G64 PolarHBondContact O-N 3.37Å |
| 61 | I | 95.3 | Very high | 88.7 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 176.9 | -68 | 167.8 | 0 | 0 | 0 | 110.3 | A33 L36 S57 G64 S65 | A33-I61 HydrophobicContact CB-CD1 4.49Å; L36-I61 HydrophobicContact CD1-CD1 3.42Å; L36-I61 VanDerWaalsContact CD1-CD1 3.42Å; L36-I61 HydrophobicContact CG-CD1 4.38Å; S57-I61 WeakPolarHBondContact O-CB 3.2Å; S57-I61 VanDerWaalsContact O-CG1 3.24Å; S57-I61 WeakPolarHBondContact O-CG1 3.29Å; S57-I61 PolarHBondContact O-N 3.34Å; I61-G64 PolarHBondContact O-N 3.42Å; I61-S65 WeakPolarHBondContact O-CB 3.27Å; I61-S65 PolarHBondContact O-N 3.35Å; I61-S65 PolarHBondContact O-OG 2.95Å |
| 62 | G | 95.7 | Very high | 90.1 | Very high | 33 Ų | 33 | 49 Ų | 49 | 34% | 0.34 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57 | -55.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q58 I59 G64 S65 S66 | Q58-G62 PolarHBondContact O-N 3.08Å; I59-G62 PolarHBondContact O-N 3.5Å; G62-G64 PolarHBondContact O-N 3.49Å; G62-S65 PolarHBondContact O-N 3.33Å; G62-S65 PolarHBondContact O-OG 3.48Å; G62-S66 PolarHBondContact O-N 2.89Å; G62-S66 PolarHBondContact O-OG 3.29Å |
| 63 | M | 95.3 | Very high | 91.2 | Very high | 82 Ų | 82 | 50 Ų | 50 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 178.8 | -175.1 | 176.7 | 65.1 | 0 | 0 | 112.8 | F28 I59 L60 S66 T67 | F28-M63 HydrophobicContact CD1-CE 4.37Å; F28-M63 HydrophobicContact CD2-CE 3.86Å; F28-M63 HydrophobicContact CE1-CE 4.41Å; F28-M63 HydrophobicContact CE2-CE 3.89Å; F28-M63 HydrophobicContact CG-CE 4.12Å; F28-M63 HydrophobicContact CZ-CE 4.18Å; I59-M63 VanDerWaalsContact O-CB 3.27Å; I59-M63 WeakPolarHBondContact O-CB 3.35Å; I59-M63 PolarHBondContact O-N 3.31Å; L60-M63 HydrophobicContact CD2-CE 4.46Å; M63-S66 WeakPolarHBondContact CA-OG 3.39Å; M63-S66 PolarHBondContact O-OG 2.84Å; M63-T67 WeakPolarHBondContact O-CB 3.45Å; M63-T67 PolarHBondContact O-N 3.44Å; M63-T67 VanDerWaalsContact O-N 3.09Å; M63-T67 PolarHBondContact O-OG1 3.19Å |
| 64 | G | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G25 L60 I61 G62 T67 V68 | G25-G64 VanDerWaalsContact O-CA 3.32Å; G25-G64 WeakPolarHBondContact O-CA 3.28Å; L60-G64 PolarHBondContact O-N 3.37Å; I61-G64 PolarHBondContact O-N 3.42Å; G62-G64 PolarHBondContact O-N 3.49Å; G64-T67 PolarHBondContact O-N 2.98Å; G64-V68 WeakPolarHBondContact O-CG2 3.49Å; G64-V68 PolarHBondContact O-N 3.45Å |
| 65 | S | 96.8 | Very high | 92.8 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 178.9 | 73.5 | 0 | 0 | 0 | 0 | 112.8 | I61 G62 T67 V68 L69 | I61-S65 WeakPolarHBondContact O-CB 3.27Å; I61-S65 PolarHBondContact O-N 3.35Å; I61-S65 PolarHBondContact O-OG 2.95Å; G62-S65 PolarHBondContact O-N 3.33Å; G62-S65 PolarHBondContact O-OG 3.48Å; S65-T67 VanDerWaalsContact C-N 3.3Å; S65-T67 PolarHBondContact O-N 2.91Å; S65-V68 PolarHBondContact O-N 3.47Å; S65-L69 VanDerWaalsContact O-CG 3.31Å; S65-L69 WeakPolarHBondContact O-CG 3.39Å; S65-L69 PolarHBondContact O-N 3.01Å |
| 66 | S | 95.2 | Very high | 93.4 | Very high | 46 Ų | 46 | 54 Ų | 54 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | G62 M63 L69 F70 | G62-S66 PolarHBondContact O-N 2.89Å; G62-S66 PolarHBondContact O-OG 3.29Å; M63-S66 WeakPolarHBondContact CA-OG 3.39Å; M63-S66 PolarHBondContact O-OG 2.84Å; S66-L69 PolarHBondContact O-N 3.28Å; S66-F70 VanDerWaalsContact O-CD2 3.32Å; S66-F70 WeakPolarHBondContact O-CD2 3.36Å; S66-F70 WeakPolarHBondContact O-CG 3.26Å; S66-F70 PolarHBondContact O-N 3.31Å |
| 67 | T | 95.6 | Very high | 93.8 | Very high | 35 Ų | 35 | 51 Ų | 51 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | F21 M63 G64 S65 L69 F70 C71 | F21-T67 HydrophobicContact CB-CG2 4.48Å; M63-T67 WeakPolarHBondContact O-CB 3.45Å; M63-T67 PolarHBondContact O-N 3.44Å; M63-T67 VanDerWaalsContact O-N 3.09Å; M63-T67 PolarHBondContact O-OG1 3.19Å; G64-T67 PolarHBondContact O-N 2.98Å; S65-T67 VanDerWaalsContact C-N 3.3Å; S65-T67 PolarHBondContact O-N 2.91Å; T67-L69 PolarHBondContact O-N 3.36Å; T67-F70 PolarHBondContact O-N 2.98Å; T67-C71 PolarHBondContact O-N 2.97Å; T67-C71 PolarHBondContact O-SG 2.92Å |
| 68 | V | 96.9 | Very high | 94 | Very high | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 176.4 | 170.8 | 0 | 0 | 0 | 0 | 111 | M22 L26 G64 S65 F70 C71 L72 | M22-V68 HydrophobicContact CE-CG1 4.35Å; L26-V68 HydrophobicContact CD2-CG2 4.02Å; L26-V68 HydrophobicContact CG-CG2 3.97Å; G64-V68 WeakPolarHBondContact O-CG2 3.49Å; G64-V68 PolarHBondContact O-N 3.45Å; S65-V68 PolarHBondContact O-N 3.47Å; V68-F70 PolarHBondContact O-N 3.49Å; V68-C71 PolarHBondContact O-N 2.97Å; V68-L72 HydrophobicContact CG1-CD1 3.93Å; V68-L72 HydrophobicContact CG1-CG 4.27Å; V68-L72 WeakPolarHBondContact O-CB 3.36Å; V68-L72 VanDerWaalsContact O-CG 3.29Å; V68-L72 WeakPolarHBondContact O-CG 3.43Å; V68-L72 PolarHBondContact O-N 3.46Å |
| 69 | L | 95.3 | Very high | 94.1 | Very high | 104 Ų | 104 | 50.5 Ų | 50.5 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 177.3 | -71.3 | 173.1 | 0 | 0 | 0 | 112.1 | S65 S66 T67 C71 L72 L73 | S65-L69 VanDerWaalsContact O-CG 3.31Å; S65-L69 WeakPolarHBondContact O-CG 3.39Å; S65-L69 PolarHBondContact O-N 3.01Å; S66-L69 PolarHBondContact O-N 3.28Å; T67-L69 PolarHBondContact O-N 3.36Å; L69-C71 VanDerWaalsContact C-N 3.35Å; L69-C71 PolarHBondContact O-N 3.06Å; L69-L72 PolarHBondContact O-N 3.36Å; L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 3.22Å |
| 70 | F | 93.9 | Very high | 94 | Very high | 90 Ų | 90 | 49.3 Ų | 49.3 | 40% | 0.395 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 176.1 | -68.4 | -35.2 | 0 | 0 | 0 | 112.5 | S66 T67 V68 L73 G74 L92 | S66-F70 VanDerWaalsContact O-CD2 3.32Å; S66-F70 WeakPolarHBondContact O-CD2 3.36Å; S66-F70 WeakPolarHBondContact O-CG 3.26Å; S66-F70 PolarHBondContact O-N 3.31Å; T67-F70 PolarHBondContact O-N 2.98Å; V68-F70 PolarHBondContact O-N 3.49Å; F70-L73 PolarHBondContact O-N 2.9Å; F70-G74 PolarHBondContact O-N 3.24Å; F70-G74 VanDerWaalsContact O-N 3.07Å; F70-L92 HydrophobicContact CD1-CD1 4.05Å; F70-L92 HydrophobicContact CE1-CD1 3.98Å; F70-L92 HydrophobicContact CE1-CD2 4.34Å |
| 71 | C | 94.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.7 | -39 | 177.2 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | F21 M22 T67 V68 L69 G74 Y75 | F21-C71 VanDerWaalsContact CB-SG 3.54Å; M22-C71 HydrophobicContact CB-CB 3.85Å; M22-C71 HydrophobicContact CG-CB 4.34Å; T67-C71 PolarHBondContact O-N 2.97Å; T67-C71 PolarHBondContact O-SG 2.92Å; V68-C71 PolarHBondContact O-N 2.97Å; L69-C71 VanDerWaalsContact C-N 3.35Å; L69-C71 PolarHBondContact O-N 3.06Å; C71-G74 PolarHBondContact O-N 2.94Å; C71-Y75 WeakPolarHBondContact O-CB 3.29Å; C71-Y75 PolarHBondContact O-N 3.39Å |
| 72 | L | 93.8 | Very high | 93.5 | Very high | 64 Ų | 64 | 53 Ų | 53 | 34% | 0.335 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 175.9 | -75.3 | 173 | 0 | 0 | 0 | 111.7 | M22 V68 L69 G74 Y75 I76 | M22-L72 HydrophobicContact CE-CD2 3.69Å; M22-L72 HydrophobicContact CE-CG 4.22Å; M22-L72 HydrophobicContact SD-CD2 4.36Å; V68-L72 HydrophobicContact CG1-CD1 3.93Å; V68-L72 HydrophobicContact CG1-CG 4.27Å; V68-L72 WeakPolarHBondContact O-CB 3.36Å; V68-L72 VanDerWaalsContact O-CG 3.29Å; V68-L72 WeakPolarHBondContact O-CG 3.43Å; V68-L72 PolarHBondContact O-N 3.46Å; L69-L72 PolarHBondContact O-N 3.36Å; L72-G74 VanDerWaalsContact C-N 3.32Å; L72-G74 PolarHBondContact O-N 3.47Å; L72-Y75 PolarHBondContact O-N 2.96Å; L72-I76 WeakPolarHBondContact O-CB 3.5Å; L72-I76 VanDerWaalsContact O-CG1 3.24Å; L72-I76 WeakPolarHBondContact O-CG1 3.24Å; L72-I76 PolarHBondContact O-N 3.37Å |
| 73 | L | 93.2 | Very high | 93.2 | Very high | 68 Ų | 68 | 55.7 Ų | 55.7 | 36% | 0.356 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 174.3 | -71.2 | 172.4 | 0 | 0 | 0 | 111.4 | L69 F70 G77 L92 | L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 3.22Å; F70-L73 PolarHBondContact O-N 2.9Å; L73-G77 PolarHBondContact O-N 3.37Å; L73-L92 HydrophobicContact CD1-CD1 4.44Å |
| 74 | G | 92.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.8 | -51.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | F70 C71 L72 I76 G77 I78 | F70-G74 PolarHBondContact O-N 3.24Å; F70-G74 VanDerWaalsContact O-N 3.07Å; C71-G74 PolarHBondContact O-N 2.94Å; L72-G74 VanDerWaalsContact C-N 3.32Å; L72-G74 PolarHBondContact O-N 3.47Å; G74-I76 PolarHBondContact O-N 3.1Å; G74-G77 PolarHBondContact O-N 2.74Å; G74-I78 VanDerWaalsContact O-CD1 3.24Å; G74-I78 WeakPolarHBondContact O-CD1 3.38Å; G74-I78 WeakPolarHBondContact O-CG1 3.49Å; G74-I78 PolarHBondContact O-N 3.29Å |
| 75 | Y | 93.8 | Very high | 92.7 | Very high | 114 Ų | 114 | 63.8 Ų | 63.8 | 45% | 0.447 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.6 | -48.6 | 179.8 | -179.1 | -96.8 | 0 | 0 | 0 | 112.4 | C71 L72 G77 I78 H79 | C71-Y75 WeakPolarHBondContact O-CB 3.29Å; C71-Y75 PolarHBondContact O-N 3.39Å; L72-Y75 PolarHBondContact O-N 2.96Å; Y75-G77 PolarHBondContact O-N 3.02Å; Y75-I78 PolarHBondContact O-N 2.86Å; Y75-H79 VanDerWaalsContact O-CB 3.25Å; Y75-H79 WeakPolarHBondContact O-CB 3.3Å; Y75-H79 PolarHBondContact O-N 3.39Å |
| 76 | I | 93.4 | Very high | 92.4 | Very high | 69 Ų | 69 | 61.9 Ų | 61.9 | 35% | 0.354 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 178.1 | -66.7 | 167.4 | 0 | 0 | 0 | 110.4 | L72 G74 I78 N80 L85 | L72-I76 WeakPolarHBondContact O-CB 3.5Å; L72-I76 VanDerWaalsContact O-CG1 3.24Å; L72-I76 WeakPolarHBondContact O-CG1 3.24Å; L72-I76 PolarHBondContact O-N 3.37Å; G74-I76 PolarHBondContact O-N 3.1Å; I76-I78 VanDerWaalsContact C-N 3.35Å; I76-I78 PolarHBondContact O-N 2.87Å; I76-N80 VanDerWaalsContact O-CB 3.31Å; I76-N80 WeakPolarHBondContact O-CB 3.37Å; I76-N80 PolarHBondContact O-N 3.18Å; I76-L85 HydrophobicContact CG2-CD1 3.79Å |
| 77 | G | 91.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L73 G74 Y75 E81 I82 | L73-G77 PolarHBondContact O-N 3.37Å; G74-G77 PolarHBondContact O-N 2.74Å; Y75-G77 PolarHBondContact O-N 3.02Å; G77-E81 WeakPolarHBondContact O-CA 3.27Å; G77-E81 PolarHBondContact O-N 3.36Å; G77-I82 PolarHBondContact O-N 3.21Å |
| 78 | I | 92 | Very high | 92.3 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.4 | -46.2 | 179.4 | -63.9 | 155.7 | 0 | 0 | 0 | 111.3 | K11 L14 N18 G74 Y75 I76 L86 F236 | K11-I78 HydrophobicContact CB-CG2 4.11Å; K11-I78 WeakPolarHBondContact CE-O 3.37Å; K11-I78 HydrophobicContact CG-CG2 3.82Å; L14-I78 HydrophobicContact CB-CD1 3.55Å; L14-I78 HydrophobicContact CB-CG1 4.29Å; L14-I78 HydrophobicContact CD1-CD1 4.33Å; L14-I78 HydrophobicContact CD1-CG1 4.25Å; L14-I78 HydrophobicContact CG-CD1 4.41Å; N18-I78 WeakPolarHBondContact ND2-CD1 3.4Å; G74-I78 VanDerWaalsContact O-CD1 3.24Å; G74-I78 WeakPolarHBondContact O-CD1 3.38Å; G74-I78 WeakPolarHBondContact O-CG1 3.49Å; G74-I78 PolarHBondContact O-N 3.29Å; Y75-I78 PolarHBondContact O-N 2.86Å; I76-I78 VanDerWaalsContact C-N 3.35Å; I76-I78 PolarHBondContact O-N 2.87Å; I78-L86 HydrophobicContact CG1-CD2 4.03Å; I78-F236 HydrophobicContact CG2-CE1 4.29Å; I78-F236 HydrophobicContact CG2-CZ 4.35Å |
| 79 | H | 89.8 | Confident | 92.1 | Very high | 107 Ų | 107 | 64.6 Ų | 64.6 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.6 | -50.3 | -176.4 | -178.3 | -87.3 | 0 | 0 | 0 | 111.3 | Y75 E81 | Y75-H79 VanDerWaalsContact O-CB 3.25Å; Y75-H79 WeakPolarHBondContact O-CB 3.3Å; Y75-H79 PolarHBondContact O-N 3.39Å; H79-E81 VanDerWaalsContact C-N 3.29Å; H79-E81 PolarHBondContact O-N 2.88Å |
| 80 | N | 88.6 | Confident | 92.1 | Very high | 89 Ų | 89 | 60.3 Ų | 60.3 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -0.3 | -176.6 | -61.3 | -17.2 | 0 | 0 | 0 | 113.2 | I76 I82 | I76-N80 VanDerWaalsContact O-CB 3.31Å; I76-N80 WeakPolarHBondContact O-CB 3.37Å; I76-N80 PolarHBondContact O-N 3.18Å; N80-I82 HydrophobicContact CB-CD1 3.68Å; N80-I82 HydrophobicContact CB-CG1 3.72Å; N80-I82 PolarHBondContact O-N 2.71Å; N80-I82 VanDerWaalsContact O-N 3.11Å |
| 81 | E | 89.5 | Confident | 92.1 | Very high | 79 Ų | 79 | 60.4 Ų | 60.4 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 29.3 | 179.8 | -57.5 | -171.9 | 175.1 | 0 | 0 | 113.8 | K11 G77 H79 R83 F236 I240 | K11-E81 WeakPolarHBondContact CE-OE1 3.41Å; K11-E81 IonicContact NZ-OE1 2.57Å; K11-E81 PolarHBondContact NZ-OE1 2.94Å; G77-E81 WeakPolarHBondContact O-CA 3.27Å; G77-E81 PolarHBondContact O-N 3.36Å; H79-E81 VanDerWaalsContact C-N 3.29Å; H79-E81 PolarHBondContact O-N 2.88Å; E81-R83 PolarHBondContact O-N 3.09Å; E81-R83 VanDerWaalsContact O-N 3.14Å; E81-F236 HydrophobicContact CG-CZ 4.31Å; E81-I240 HydrophobicContact CB-CD1 3.84Å; E81-I240 HydrophobicContact CG-CD1 4.02Å |
| 82 | I | 89.6 | Confident | 92.1 | Very high | 69 Ų | 69 | 62.6 Ų | 62.6 | 35% | 0.354 | 30% | 0.303 | S | S | . | . | trans | -78.1 | 104.6 | -176.7 | -59.7 | 170.1 | 0 | 0 | 0 | 109.3 | G77 N80 W84 L85 L86 | G77-I82 PolarHBondContact O-N 3.21Å; N80-I82 HydrophobicContact CB-CD1 3.68Å; N80-I82 HydrophobicContact CB-CG1 3.72Å; N80-I82 PolarHBondContact O-N 2.71Å; N80-I82 VanDerWaalsContact O-N 3.11Å; I82-W84 VanDerWaalsContact C-N 3.33Å; I82-W84 PolarHBondContact O-N 3.4Å; I82-L85 HydrophobicContact CB-CB 4.2Å; I82-L85 HydrophobicContact CB-CD1 3.97Å; I82-L85 HydrophobicContact CB-CG 4.16Å; I82-L85 HydrophobicContact CD1-CD1 3.77Å; I82-L85 HydrophobicContact CG1-CD1 4.45Å; I82-L85 HydrophobicContact CG2-CB 4.14Å; I82-L85 HydrophobicContact CG2-CD1 4.03Å; I82-L85 HydrophobicContact CG2-CG 3.82Å; I82-L85 PolarHBondContact O-N 2.91Å; I82-L85 VanDerWaalsContact O-N 3.09Å; I82-L86 PolarHBondContact O-N 3.5Å; I82-L86 VanDerWaalsContact O-N 3.08Å | ||
| 83 | R | 88.2 | Confident | 92.2 | Very high | 89 Ų | 89 | 60.4 Ų | 60.4 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -51 | -45.7 | -177.7 | -68.2 | 177 | 179.9 | -179.1 | -8.4 | 114.1 | E81 L85 L86 I87 F237 I240 | E81-R83 PolarHBondContact O-N 3.09Å; E81-R83 VanDerWaalsContact O-N 3.14Å; R83-L85 PolarHBondContact O-N 2.88Å; R83-L86 PolarHBondContact O-N 3.32Å; R83-I87 WeakPolarHBondContact O-CG1 3.19Å; R83-I87 PolarHBondContact O-N 3.06Å; R83-F237 HydrophobicContact CB-CE2 4.06Å; R83-F237 HydrophobicContact CG-CE2 4.27Å; R83-I240 HydrophobicContact CG-CG2 4.35Å |
| 84 | W | 90.6 | Very high | 92.3 | Very high | 201 Ų | 201 | 60.5 Ų | 60.5 | 76% | 0.761 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.2 | -41.4 | -179.8 | -82.3 | 100.5 | 0 | 0 | 0 | 112.2 | I82 I87 V88 | I82-W84 VanDerWaalsContact C-N 3.33Å; I82-W84 PolarHBondContact O-N 3.4Å; W84-I87 PolarHBondContact O-N 3.31Å; W84-V88 WeakPolarHBondContact O-CG2 3.43Å; W84-V88 PolarHBondContact O-N 3.28Å |
| 85 | L | 91.5 | Very high | 92.5 | Very high | 51 Ų | 51 | 69.4 Ų | 69.4 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 176.4 | -70.4 | 179.1 | 0 | 0 | 0 | 111.8 | I76 I82 R83 I87 V88 Y89 | I76-L85 HydrophobicContact CG2-CD1 3.79Å; I82-L85 HydrophobicContact CB-CB 4.2Å; I82-L85 HydrophobicContact CB-CD1 3.97Å; I82-L85 HydrophobicContact CB-CG 4.16Å; I82-L85 HydrophobicContact CD1-CD1 3.77Å; I82-L85 HydrophobicContact CG1-CD1 4.45Å; I82-L85 HydrophobicContact CG2-CB 4.14Å; I82-L85 HydrophobicContact CG2-CD1 4.03Å; I82-L85 HydrophobicContact CG2-CG 3.82Å; I82-L85 PolarHBondContact O-N 2.91Å; I82-L85 VanDerWaalsContact O-N 3.09Å; R83-L85 PolarHBondContact O-N 2.88Å; L85-I87 VanDerWaalsContact C-N 3.31Å; L85-I87 PolarHBondContact O-N 3.09Å; L85-V88 PolarHBondContact O-N 2.86Å; L85-Y89 WeakPolarHBondContact O-CB 3.21Å; L85-Y89 PolarHBondContact O-N 2.98Å |
| 86 | L | 91.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 175.3 | -67.9 | 171 | 0 | 0 | 0 | 112.4 | I78 I82 R83 A90 T233 F236 I240 | I78-L86 HydrophobicContact CG1-CD2 4.03Å; I82-L86 PolarHBondContact O-N 3.5Å; I82-L86 VanDerWaalsContact O-N 3.08Å; R83-L86 PolarHBondContact O-N 3.32Å; L86-A90 WeakPolarHBondContact O-CB 3.32Å; L86-A90 PolarHBondContact O-N 3.46Å; L86-T233 HydrophobicContact CD2-CG2 4.41Å; L86-F236 HydrophobicContact CD1-CD1 3.76Å; L86-F236 HydrophobicContact CD1-CE1 3.76Å; L86-F236 HydrophobicContact CD2-CD1 4.03Å; L86-F236 HydrophobicContact CD2-CE1 4.17Å; L86-I240 HydrophobicContact CD1-CD1 4.01Å |
| 87 | I | 92.9 | Very high | 92.7 | Very high | 74 Ų | 74 | 66.9 Ų | 66.9 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.7 | -51 | 175.5 | -67 | 165.8 | 0 | 0 | 0 | 110.2 | R83 W84 L85 Y89 A90 V91 F237 | R83-I87 WeakPolarHBondContact O-CG1 3.19Å; R83-I87 PolarHBondContact O-N 3.06Å; W84-I87 PolarHBondContact O-N 3.31Å; L85-I87 VanDerWaalsContact C-N 3.31Å; L85-I87 PolarHBondContact O-N 3.09Å; I87-Y89 VanDerWaalsContact C-N 3.27Å; I87-Y89 PolarHBondContact O-N 2.74Å; I87-A90 PolarHBondContact O-N 3.43Å; I87-V91 HydrophobicContact CG2-CG2 4.39Å; I87-V91 WeakPolarHBondContact O-CG2 3.25Å; I87-V91 PolarHBondContact O-N 2.96Å; I87-F237 HydrophobicContact CD1-CE2 3.84Å; I87-F237 HydrophobicContact CD1-CZ 4.09Å; I87-F237 HydrophobicContact CG1-CD2 4.31Å; I87-F237 HydrophobicContact CG1-CE2 3.88Å; I87-F237 HydrophobicContact CG1-CZ 4.34Å |
| 88 | V | 94 | Very high | 93 | Very high | 71 Ų | 71 | 68.3 Ų | 68.3 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.6 | -45.6 | 178.2 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | W84 L85 V91 L92 | W84-V88 WeakPolarHBondContact O-CG2 3.43Å; W84-V88 PolarHBondContact O-N 3.28Å; L85-V88 PolarHBondContact O-N 2.86Å; V88-V91 PolarHBondContact O-N 3.16Å; V88-L92 HydrophobicContact CG1-CD1 3.98Å; V88-L92 HydrophobicContact CG1-CG 4.38Å; V88-L92 WeakPolarHBondContact O-CG 3.48Å; V88-L92 PolarHBondContact O-N 3.39Å |
| 89 | Y | 93.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 71.1 Ų | 71.1 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 177.8 | 175.8 | -108.8 | 0 | 0 | 0 | 112.9 | N18 L85 I87 V91 L92 I93 Q229 T233 | N18-Y89 PolarHBondContact ND2-OH 3.17Å; N18-Y89 PolarHBondContact OD1-OH 3.28Å; L85-Y89 WeakPolarHBondContact O-CB 3.21Å; L85-Y89 PolarHBondContact O-N 2.98Å; I87-Y89 VanDerWaalsContact C-N 3.27Å; I87-Y89 PolarHBondContact O-N 2.74Å; Y89-V91 VanDerWaalsContact C-N 3.35Å; Y89-V91 PolarHBondContact O-N 3.46Å; Y89-L92 PolarHBondContact O-N 2.8Å; Y89-I93 HydrophobicContact CD1-CD1 4.03Å; Y89-I93 HydrophobicContact CD2-CD1 4.26Å; Y89-I93 HydrophobicContact CE1-CD1 3.49Å; Y89-I93 VanDerWaalsContact CE1-CD1 3.49Å; Y89-I93 HydrophobicContact CE2-CD1 3.75Å; Y89-I93 HydrophobicContact CE2-CG1 4.33Å; Y89-I93 HydrophobicContact CG-CD1 4.39Å; Y89-I93 WeakPolarHBondContact O-CG1 3.28Å; Y89-I93 PolarHBondContact O-N 3.39Å; Y89-Q229 PolarHBondContact OH-NE2 2.81Å; Y89-T233 HydrophobicContact CD1-CG2 3.96Å; Y89-T233 HydrophobicContact CE1-CG2 4.38Å |
| 90 | A | 94.4 | Very high | 93.5 | Very high | 15 Ų | 15 | 67 Ų | 67 | 12% | 0.124 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L86 I87 T94 T233 | L86-A90 WeakPolarHBondContact O-CB 3.32Å; L86-A90 PolarHBondContact O-N 3.46Å; I87-A90 PolarHBondContact O-N 3.43Å; A90-T94 WeakPolarHBondContact O-CB 3.37Å; A90-T94 PolarHBondContact O-N 3.01Å; A90-T94 PolarHBondContact O-OG1 2.87Å; A90-T233 HydrophobicContact CB-CG2 4.06Å |
| 91 | V | 95.8 | Very high | 93.9 | Very high | 91 Ų | 91 | 65.6 Ų | 65.6 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 176 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | I87 V88 Y89 T94 W95 | I87-V91 HydrophobicContact CG2-CG2 4.39Å; I87-V91 WeakPolarHBondContact O-CG2 3.25Å; I87-V91 PolarHBondContact O-N 2.96Å; V88-V91 PolarHBondContact O-N 3.16Å; Y89-V91 VanDerWaalsContact C-N 3.35Å; Y89-V91 PolarHBondContact O-N 3.46Å; V91-T94 PolarHBondContact O-N 3.3Å; V91-W95 WeakPolarHBondContact O-CB 3.35Å; V91-W95 PolarHBondContact O-N 2.85Å |
| 92 | L | 94.6 | Very high | 94.2 | Very high | 54 Ų | 54 | 66.6 Ų | 66.6 | 28% | 0.283 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 177.7 | -72.5 | 172.1 | 0 | 0 | 0 | 112 | F70 L73 V88 Y89 T94 W95 V96 | F70-L92 HydrophobicContact CD1-CD1 4.05Å; F70-L92 HydrophobicContact CE1-CD1 3.98Å; F70-L92 HydrophobicContact CE1-CD2 4.34Å; L73-L92 HydrophobicContact CD1-CD1 4.44Å; V88-L92 HydrophobicContact CG1-CD1 3.98Å; V88-L92 HydrophobicContact CG1-CG 4.38Å; V88-L92 WeakPolarHBondContact O-CG 3.48Å; V88-L92 PolarHBondContact O-N 3.39Å; Y89-L92 PolarHBondContact O-N 2.8Å; L92-T94 VanDerWaalsContact C-N 3.34Å; L92-T94 PolarHBondContact O-N 3.22Å; L92-W95 WeakPolarHBondContact O-CB 3.48Å; L92-W95 PolarHBondContact O-N 3.1Å; L92-V96 WeakPolarHBondContact O-CG2 3.26Å; L92-V96 PolarHBondContact O-N 2.92Å |
| 93 | I | 94.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 67.9 Ų | 67.9 | 9% | 0.087 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 176.9 | -62.6 | 165 | 0 | 0 | 0 | 110.7 | Y89 W95 V96 F97 E226 Q229 V230 | Y89-I93 HydrophobicContact CD1-CD1 4.03Å; Y89-I93 HydrophobicContact CD2-CD1 4.26Å; Y89-I93 HydrophobicContact CE1-CD1 3.49Å; Y89-I93 VanDerWaalsContact CE1-CD1 3.49Å; Y89-I93 HydrophobicContact CE2-CD1 3.75Å; Y89-I93 HydrophobicContact CE2-CG1 4.33Å; Y89-I93 HydrophobicContact CG-CD1 4.39Å; Y89-I93 WeakPolarHBondContact O-CG1 3.28Å; Y89-I93 PolarHBondContact O-N 3.39Å; I93-W95 VanDerWaalsContact C-N 3.26Å; I93-W95 PolarHBondContact O-N 2.85Å; I93-V96 PolarHBondContact O-N 3.5Å; I93-F97 WeakPolarHBondContact O-CB 3.36Å; I93-F97 PolarHBondContact O-N 3.43Å; I93-E226 HydrophobicContact CG2-CB 3.87Å; I93-E226 HydrophobicContact CG2-CG 4.15Å; I93-Q229 HydrophobicContact CD1-CB 4.4Å; I93-Q229 HydrophobicContact CD1-CG 3.75Å; I93-V230 HydrophobicContact CB-CG2 3.8Å; I93-V230 HydrophobicContact CG2-CG2 3.48Å; I93-V230 VanDerWaalsContact CG2-CG2 3.48Å |
| 94 | T | 95.9 | Very high | 94.6 | Very high | 71 Ų | 71 | 65.7 Ų | 65.7 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.2 | -36.5 | 177.9 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | A90 V91 L92 G98 | A90-T94 WeakPolarHBondContact O-CB 3.37Å; A90-T94 PolarHBondContact O-N 3.01Å; A90-T94 PolarHBondContact O-OG1 2.87Å; V91-T94 PolarHBondContact O-N 3.3Å; L92-T94 VanDerWaalsContact C-N 3.34Å; L92-T94 PolarHBondContact O-N 3.22Å; T94-G98 PolarHBondContact O-N 2.75Å |
| 95 | W | 96.4 | Very high | 94.8 | Very high | 187 Ų | 187 | 58.5 Ų | 58.5 | 71% | 0.708 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.9 | -47.9 | 175 | 177 | -93.6 | 0 | 0 | 0 | 111.8 | V91 L92 I93 F97 G98 V99 | V91-W95 WeakPolarHBondContact O-CB 3.35Å; V91-W95 PolarHBondContact O-N 2.85Å; L92-W95 WeakPolarHBondContact O-CB 3.48Å; L92-W95 PolarHBondContact O-N 3.1Å; I93-W95 VanDerWaalsContact C-N 3.26Å; I93-W95 PolarHBondContact O-N 2.85Å; W95-F97 PolarHBondContact O-N 3.39Å; W95-G98 PolarHBondContact O-N 2.84Å; W95-V99 HydrophobicContact CZ2-CG2 4.44Å; W95-V99 WeakPolarHBondContact O-CG2 3.34Å; W95-V99 PolarHBondContact O-N 3.39Å |
| 96 | V | 95.3 | Very high | 94.8 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 36% | 0.358 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 177.1 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | L92 I93 G98 V99 Q100 E226 | L92-V96 WeakPolarHBondContact O-CG2 3.26Å; L92-V96 PolarHBondContact O-N 2.92Å; I93-V96 PolarHBondContact O-N 3.5Å; V96-G98 VanDerWaalsContact C-N 3.33Å; V96-G98 PolarHBondContact O-N 3.31Å; V96-V99 PolarHBondContact O-N 2.9Å; V96-Q100 WeakPolarHBondContact O-CB 3.35Å; V96-Q100 PolarHBondContact O-N 3.4Å; V96-E226 VanDerWaalsContact CG1-OE1 3.24Å; V96-E226 WeakPolarHBondContact CG1-OE1 3.29Å |
| 97 | F | 96.6 | Very high | 94.7 | Very high | 70 Ų | 70 | 65.5 Ų | 65.5 | 31% | 0.307 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55 | -47.2 | 174.3 | 172 | -95.8 | 0 | 0 | 0 | 112 | I93 W95 Q100 V101 L223 E226 V227 | I93-F97 WeakPolarHBondContact O-CB 3.36Å; I93-F97 PolarHBondContact O-N 3.43Å; W95-F97 PolarHBondContact O-N 3.39Å; F97-Q100 PolarHBondContact O-N 2.68Å; F97-V101 HydrophobicContact CD1-CG2 4.46Å; F97-V101 HydrophobicContact CD2-CG2 4.39Å; F97-V101 HydrophobicContact CE1-CG2 4.05Å; F97-V101 HydrophobicContact CE2-CG2 3.98Å; F97-V101 HydrophobicContact CZ-CG2 3.79Å; F97-V101 WeakPolarHBondContact O-CG2 3.25Å; F97-V101 PolarHBondContact O-N 3.41Å; F97-L223 HydrophobicContact CD2-CD2 3.6Å; F97-L223 HydrophobicContact CE2-CB 4.41Å; F97-L223 HydrophobicContact CE2-CD2 3.69Å; F97-E226 VanDerWaalsContact CA-OE2 3.26Å; F97-E226 WeakPolarHBondContact CA-OE2 3.27Å; F97-E226 WeakPolarHBondContact CB-OE2 3.18Å; F97-E226 HydrophobicContact CD2-CB 4.5Å; F97-V227 HydrophobicContact CD2-CG2 4.04Å; F97-V227 HydrophobicContact CE2-CG2 3.59Å; F97-V227 HydrophobicContact CZ-CG2 4.13Å |
| 98 | G | 97.3 | Very high | 94.5 | Very high | 30 Ų | 30 | 70.4 Ų | 70.4 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T94 W95 V96 Q100 V101 V102 | T94-G98 PolarHBondContact O-N 2.75Å; W95-G98 PolarHBondContact O-N 2.84Å; V96-G98 VanDerWaalsContact C-N 3.33Å; V96-G98 PolarHBondContact O-N 3.31Å; G98-Q100 VanDerWaalsContact C-N 3.34Å; G98-Q100 PolarHBondContact O-N 2.89Å; G98-V101 PolarHBondContact O-N 3.36Å; G98-V102 WeakPolarHBondContact O-CB 3.45Å; G98-V102 VanDerWaalsContact O-CG2 3.28Å; G98-V102 WeakPolarHBondContact O-CG2 3.33Å; G98-V102 PolarHBondContact O-N 2.93Å |
| 99 | V | 96.6 | Very high | 94.5 | Very high | 60 Ų | 60 | 71.7 Ų | 71.7 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | W95 V96 V101 V102 L103 | W95-V99 HydrophobicContact CZ2-CG2 4.44Å; W95-V99 WeakPolarHBondContact O-CG2 3.34Å; W95-V99 PolarHBondContact O-N 3.39Å; V96-V99 PolarHBondContact O-N 2.9Å; V99-V101 PolarHBondContact O-N 3.45Å; V99-V102 PolarHBondContact O-N 2.72Å; V99-L103 HydrophobicContact CG1-CD1 3.68Å; V99-L103 HydrophobicContact CG1-CG 4.18Å; V99-L103 WeakPolarHBondContact O-CB 3.3Å; V99-L103 VanDerWaalsContact O-CG 3.27Å; V99-L103 WeakPolarHBondContact O-CG 3.32Å; V99-L103 PolarHBondContact O-N 3.13Å |
| 100 | Q | 95.6 | Very high | 94.4 | Very high | 20 Ų | 20 | 75.1 Ų | 75.1 | 9% | 0.093 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 179.7 | -172.9 | 177.8 | -8.1 | 0 | 0 | 112 | V96 F97 G98 S104 N219 L223 E226 | V96-Q100 WeakPolarHBondContact O-CB 3.35Å; V96-Q100 PolarHBondContact O-N 3.4Å; F97-Q100 PolarHBondContact O-N 2.68Å; G98-Q100 VanDerWaalsContact C-N 3.34Å; G98-Q100 PolarHBondContact O-N 2.89Å; Q100-S104 VanDerWaalsContact O-CB 3.32Å; Q100-S104 WeakPolarHBondContact O-CB 3.42Å; Q100-S104 PolarHBondContact O-N 3.1Å; Q100-S104 PolarHBondContact O-OG 3.03Å; Q100-S104 VanDerWaalsContact O-OG 3.13Å; Q100-N219 PolarHBondContact NE2-ND2 3.47Å; Q100-N219 PolarHBondContact NE2-O 3.46Å; Q100-L223 HydrophobicContact CB-CD2 4.12Å; Q100-L223 HydrophobicContact CG-CD2 3.87Å; Q100-L223 HydrophobicContact CG-CG 4.43Å; Q100-E226 PolarHBondContact OE1-OE2 2.02Å |
| 101 | V | 96.5 | Very high | 94.1 | Very high | 60 Ų | 60 | 80.5 Ų | 80.5 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 177 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | F97 G98 V99 S104 A105 L223 | F97-V101 HydrophobicContact CD1-CG2 4.46Å; F97-V101 HydrophobicContact CD2-CG2 4.39Å; F97-V101 HydrophobicContact CE1-CG2 4.05Å; F97-V101 HydrophobicContact CE2-CG2 3.98Å; F97-V101 HydrophobicContact CZ-CG2 3.79Å; F97-V101 WeakPolarHBondContact O-CG2 3.25Å; F97-V101 PolarHBondContact O-N 3.41Å; G98-V101 PolarHBondContact O-N 3.36Å; V99-V101 PolarHBondContact O-N 3.45Å; V101-S104 PolarHBondContact O-N 3.27Å; V101-A105 VanDerWaalsContact O-CB 3.25Å; V101-A105 WeakPolarHBondContact O-CB 3.37Å; V101-A105 PolarHBondContact O-N 3.34Å; V101-L223 HydrophobicContact CG2-CD2 3.81Å |
| 102 | V | 96.1 | Very high | 93.8 | Very high | 99 Ų | 99 | 83.9 Ų | 83.9 | 60% | 0.6 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.7 | -47 | 178.9 | 170.5 | 0 | 0 | 0 | 0 | 111 | G98 V99 A105 F106 | G98-V102 WeakPolarHBondContact O-CB 3.45Å; G98-V102 VanDerWaalsContact O-CG2 3.28Å; G98-V102 WeakPolarHBondContact O-CG2 3.33Å; G98-V102 PolarHBondContact O-N 2.93Å; V99-V102 PolarHBondContact O-N 2.72Å; V102-A105 PolarHBondContact O-N 2.78Å; V102-F106 VanDerWaalsContact O-CB 3.26Å; V102-F106 WeakPolarHBondContact O-CB 3.27Å; V102-F106 PolarHBondContact O-N 3.21Å |
| 103 | L | 93.8 | Very high | 93.7 | Very high | 97 Ų | 97 | 85.7 Ų | 85.7 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 177.9 | -71.1 | 174.7 | 0 | 0 | 0 | 111.7 | V99 A105 F106 I107 | V99-L103 HydrophobicContact CG1-CD1 3.68Å; V99-L103 HydrophobicContact CG1-CG 4.18Å; V99-L103 WeakPolarHBondContact O-CB 3.3Å; V99-L103 VanDerWaalsContact O-CG 3.27Å; V99-L103 WeakPolarHBondContact O-CG 3.32Å; V99-L103 PolarHBondContact O-N 3.13Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-A105 PolarHBondContact O-N 3.38Å; L103-F106 PolarHBondContact O-N 3.13Å; L103-I107 VanDerWaalsContact O-CG1 3.3Å; L103-I107 WeakPolarHBondContact O-CG1 3.39Å; L103-I107 PolarHBondContact O-N 3.36Å |
| 104 | S | 92.9 | Very high | 93.3 | Very high | 42 Ų | 42 | 86 Ų | 86 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 176.5 | -72.3 | 0 | 0 | 0 | 0 | 112 | Q100 V101 F108 N219 | Q100-S104 VanDerWaalsContact O-CB 3.32Å; Q100-S104 WeakPolarHBondContact O-CB 3.42Å; Q100-S104 PolarHBondContact O-N 3.1Å; Q100-S104 PolarHBondContact O-OG 3.03Å; Q100-S104 VanDerWaalsContact O-OG 3.13Å; V101-S104 PolarHBondContact O-N 3.27Å; S104-F108 WeakPolarHBondContact O-CB 3.4Å; S104-F108 PolarHBondContact O-N 3.42Å; S104-F108 VanDerWaalsContact O-N 3.07Å; S104-N219 PolarHBondContact OG-ND2 3.38Å; S104-N219 PolarHBondContact OG-OD1 2.94Å |
| 105 | A | 93.7 | Very high | 93 | Very high | 50 Ų | 50 | 86.5 Ų | 86.5 | 41% | 0.413 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V101 V102 L103 F108 T109 | V101-A105 VanDerWaalsContact O-CB 3.25Å; V101-A105 WeakPolarHBondContact O-CB 3.37Å; V101-A105 PolarHBondContact O-N 3.34Å; V102-A105 PolarHBondContact O-N 2.78Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-A105 PolarHBondContact O-N 3.38Å; A105-F108 PolarHBondContact O-N 3.48Å; A105-T109 WeakPolarHBondContact O-CB 3.13Å; A105-T109 WeakPolarHBondContact O-CG2 3.29Å; A105-T109 PolarHBondContact O-N 3.28Å; A105-T109 PolarHBondContact O-OG1 3.13Å |
| 106 | F | 92.6 | Very high | 92.8 | Very high | 100 Ų | 100 | 83.3 Ų | 83.3 | 44% | 0.439 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.5 | -50.1 | 176.8 | -177.5 | -100.1 | 0 | 0 | 0 | 111.1 | V102 L103 F108 T109 K110 V114 | V102-F106 VanDerWaalsContact O-CB 3.26Å; V102-F106 WeakPolarHBondContact O-CB 3.27Å; V102-F106 PolarHBondContact O-N 3.21Å; L103-F106 PolarHBondContact O-N 3.13Å; F106-F108 VanDerWaalsContact C-N 3.27Å; F106-F108 PolarHBondContact O-N 3.02Å; F106-T109 PolarHBondContact O-N 2.66Å; F106-T109 PolarHBondContact O-OG1 3.43Å; F106-K110 HydrophobicContact CD2-CB 4.49Å; F106-K110 HydrophobicContact CD2-CG 4.16Å; F106-K110 HydrophobicContact CE2-CB 4.26Å; F106-K110 HydrophobicContact CE2-CG 3.97Å; F106-K110 HydrophobicContact CZ-CB 4.37Å; F106-K110 WeakPolarHBondContact O-CB 3.27Å; F106-K110 PolarHBondContact O-N 3.01Å; F106-V114 HydrophobicContact CD1-CG2 4.1Å; F106-V114 HydrophobicContact CE1-CG2 3.62Å; F106-V114 HydrophobicContact CZ-CG2 4.41Å |
| 107 | I | 89.4 | Confident | 92.6 | Very high | 100 Ų | 100 | 85.8 Ų | 85.8 | 51% | 0.513 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59 | -40.4 | 177.6 | -68.1 | 166.2 | 0 | 0 | 0 | 111.2 | L103 K111 | L103-I107 VanDerWaalsContact O-CG1 3.3Å; L103-I107 WeakPolarHBondContact O-CG1 3.39Å; L103-I107 PolarHBondContact O-N 3.36Å; I107-K111 WeakPolarHBondContact O-CA 3.18Å; I107-K111 PolarHBondContact O-N 3.38Å |
| 108 | F | 88.8 | Confident | 92.2 | Very high | 177 Ų | 177 | 90.7 Ų | 90.7 | 78% | 0.776 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70.8 | -45.7 | -179.3 | -175.3 | -97.8 | 0 | 0 | 0 | 112.9 | S104 A105 F106 | S104-F108 WeakPolarHBondContact O-CB 3.4Å; S104-F108 PolarHBondContact O-N 3.42Å; S104-F108 VanDerWaalsContact O-N 3.07Å; A105-F108 PolarHBondContact O-N 3.48Å; F106-F108 VanDerWaalsContact C-N 3.27Å; F106-F108 PolarHBondContact O-N 3.02Å |
| 109 | T | 93 | Very high | 92 | Very high | 99 Ų | 99 | 91.6 Ų | 91.6 | 61% | 0.607 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -79 | -32.8 | -175.1 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | A105 F106 | A105-T109 WeakPolarHBondContact O-CB 3.13Å; A105-T109 WeakPolarHBondContact O-CG2 3.29Å; A105-T109 PolarHBondContact O-N 3.28Å; A105-T109 PolarHBondContact O-OG1 3.13Å; F106-T109 PolarHBondContact O-N 2.66Å; F106-T109 PolarHBondContact O-OG1 3.43Å |
| 110 | K | 92.1 | Very high | 91.9 | Very high | 80 Ų | 80 | 93.3 Ų | 93.3 | 35% | 0.348 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 35.3 | -176.5 | -61.4 | -55.2 | -154.4 | 158.5 | 0 | 112 | F106 E112 E113 V114 | F106-K110 HydrophobicContact CD2-CB 4.49Å; F106-K110 HydrophobicContact CD2-CG 4.16Å; F106-K110 HydrophobicContact CE2-CB 4.26Å; F106-K110 HydrophobicContact CE2-CG 3.97Å; F106-K110 HydrophobicContact CZ-CB 4.37Å; F106-K110 WeakPolarHBondContact O-CB 3.27Å; F106-K110 PolarHBondContact O-N 3.01Å; K110-E112 VanDerWaalsContact C-N 3.3Å; K110-E112 PolarHBondContact O-N 3.06Å; K110-E113 HydrophobicContact CB-CB 4.29Å; K110-E113 WeakPolarHBondContact CD-OE2 3.26Å; K110-E113 WeakPolarHBondContact CE-OE2 3.32Å; K110-E113 IonicContact NZ-OE1 3.4Å; K110-E113 PolarHBondContact NZ-OE1 3.39Å; K110-E113 IonicContact NZ-OE2 3.72Å; K110-E113 PolarHBondContact NZ-OE2 2.88Å; K110-E113 PolarHBondContact O-N 3.4Å; K110-V114 HydrophobicContact CB-CG2 4.46Å; K110-V114 WeakPolarHBondContact O-CB 3.32Å; K110-V114 VanDerWaalsContact O-CG2 3.3Å; K110-V114 WeakPolarHBondContact O-CG2 3.32Å; K110-V114 PolarHBondContact O-N 3.47Å |
| 111 | K | 88.6 | Confident | 91.7 | Very high | 128 Ų | 128 | 96.5 Ų | 96.5 | 56% | 0.557 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -52.7 | -47.5 | -176.3 | -176.2 | -177 | 173 | -174.4 | 0 | 112.2 | I107 V114 Q115 | I107-K111 WeakPolarHBondContact O-CA 3.18Å; I107-K111 PolarHBondContact O-N 3.38Å; K111-V114 PolarHBondContact O-N 3.42Å; K111-Q115 HydrophobicContact CG-CG 4.47Å; K111-Q115 WeakPolarHBondContact O-CB 3.24Å; K111-Q115 VanDerWaalsContact O-CG 3.25Å; K111-Q115 WeakPolarHBondContact O-CG 3.43Å; K111-Q115 PolarHBondContact O-N 2.86Å |
| 112 | E | 90.4 | Very high | 91.5 | Very high | 162 Ų | 162 | 95.8 Ų | 95.8 | 76% | 0.757 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.9 | -45.8 | -179 | -65.4 | 177.9 | -177.8 | 0 | 0 | 112 | K110 V114 Q115 Q116 | K110-E112 VanDerWaalsContact C-N 3.3Å; K110-E112 PolarHBondContact O-N 3.06Å; E112-V114 PolarHBondContact O-N 2.9Å; E112-Q115 PolarHBondContact O-N 2.88Å; E112-Q116 WeakPolarHBondContact O-CB 3.42Å; E112-Q116 PolarHBondContact O-N 3.39Å |
| 113 | E | 91.5 | Very high | 91.3 | Very high | 91 Ų | 91 | 94.4 Ų | 94.4 | 43% | 0.425 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 177.5 | -66.4 | 173.1 | -162.5 | 0 | 0 | 111.4 | K110 Q116 L117 | K110-E113 HydrophobicContact CB-CB 4.29Å; K110-E113 WeakPolarHBondContact CD-OE2 3.26Å; K110-E113 WeakPolarHBondContact CE-OE2 3.32Å; K110-E113 IonicContact NZ-OE1 3.4Å; K110-E113 PolarHBondContact NZ-OE1 3.39Å; K110-E113 IonicContact NZ-OE2 3.72Å; K110-E113 PolarHBondContact NZ-OE2 2.88Å; K110-E113 PolarHBondContact O-N 3.4Å; E113-Q116 PolarHBondContact O-N 3.01Å; E113-L117 WeakPolarHBondContact O-CB 3.37Å; E113-L117 VanDerWaalsContact O-CG 3.29Å; E113-L117 WeakPolarHBondContact O-CG 3.07Å; E113-L117 PolarHBondContact O-N 3.29Å |
| 114 | V | 87.1 | Confident | 91.2 | Very high | 25 Ų | 25 | 92.2 Ų | 92.2 | 15% | 0.152 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 175.2 | 172 | 0 | 0 | 0 | 0 | 110 | F106 K110 K111 E112 Q116 L117 W118 | F106-V114 HydrophobicContact CD1-CG2 4.1Å; F106-V114 HydrophobicContact CE1-CG2 3.62Å; F106-V114 HydrophobicContact CZ-CG2 4.41Å; K110-V114 HydrophobicContact CB-CG2 4.46Å; K110-V114 WeakPolarHBondContact O-CB 3.32Å; K110-V114 VanDerWaalsContact O-CG2 3.3Å; K110-V114 WeakPolarHBondContact O-CG2 3.32Å; K110-V114 PolarHBondContact O-N 3.47Å; K111-V114 PolarHBondContact O-N 3.42Å; E112-V114 PolarHBondContact O-N 2.9Å; V114-Q116 VanDerWaalsContact C-N 3.3Å; V114-Q116 PolarHBondContact O-N 3.19Å; V114-L117 PolarHBondContact O-N 2.85Å; V114-W118 PolarHBondContact O-N 2.88Å |
| 115 | Q | 88.4 | Confident | 91.2 | Very high | 80 Ų | 80 | 91 Ų | 91 | 37% | 0.374 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 176.8 | -76.2 | -178.6 | -65.3 | 0 | 0 | 111.5 | K111 E112 W118 H119 | K111-Q115 HydrophobicContact CG-CG 4.47Å; K111-Q115 WeakPolarHBondContact O-CB 3.24Å; K111-Q115 VanDerWaalsContact O-CG 3.25Å; K111-Q115 WeakPolarHBondContact O-CG 3.43Å; K111-Q115 PolarHBondContact O-N 2.86Å; E112-Q115 PolarHBondContact O-N 2.88Å; Q115-W118 WeakPolarHBondContact O-CB 3.32Å; Q115-W118 PolarHBondContact O-N 3.34Å; Q115-H119 PolarHBondContact O-CD2 3.24Å; Q115-H119 VanDerWaalsContact O-CD2 3.27Å; Q115-H119 PolarHBondContact O-N 2.9Å |
| 116 | Q | 92.2 | Very high | 91.1 | Very high | 120 Ų | 120 | 88.6 Ų | 88.6 | 56% | 0.561 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.8 | -42.8 | 179.1 | -168.3 | 171.7 | -1.1 | 0 | 0 | 112.3 | E112 E113 V114 W118 H119 D120 | E112-Q116 WeakPolarHBondContact O-CB 3.42Å; E112-Q116 PolarHBondContact O-N 3.39Å; E113-Q116 PolarHBondContact O-N 3.01Å; V114-Q116 VanDerWaalsContact C-N 3.3Å; V114-Q116 PolarHBondContact O-N 3.19Å; Q116-W118 VanDerWaalsContact C-N 3.28Å; Q116-W118 PolarHBondContact O-N 2.98Å; Q116-H119 WeakPolarHBondContact O-CB 3.43Å; Q116-H119 PolarHBondContact O-N 2.95Å; Q116-H119 VanDerWaalsContact O-N 3.12Å; Q116-D120 VanDerWaalsContact O-CG 3.31Å; Q116-D120 PolarHBondContact O-N 3.42Å |
| 117 | L | 91.1 | Very high | 91.1 | Very high | 112 Ų | 112 | 85.6 Ų | 85.6 | 59% | 0.586 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -58.7 | -40.9 | 173.6 | -73.6 | 169.1 | 0 | 0 | 0 | 112.1 | E113 V114 E121 | E113-L117 WeakPolarHBondContact O-CB 3.37Å; E113-L117 VanDerWaalsContact O-CG 3.29Å; E113-L117 WeakPolarHBondContact O-CG 3.07Å; E113-L117 PolarHBondContact O-N 3.29Å; V114-L117 PolarHBondContact O-N 2.85Å; L117-E121 WeakPolarHBondContact O-CB 3.28Å; L117-E121 PolarHBondContact O-N 2.94Å |
| 118 | W | 89.7 | Confident | 91.3 | Very high | 172 Ų | 172 | 83.4 Ų | 83.4 | 65% | 0.652 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.1 | -40.2 | 174.8 | -87.6 | 96.2 | 0 | 0 | 0 | 112.2 | V114 Q115 Q116 I122 | V114-W118 PolarHBondContact O-N 2.88Å; Q115-W118 WeakPolarHBondContact O-CB 3.32Å; Q115-W118 PolarHBondContact O-N 3.34Å; Q116-W118 VanDerWaalsContact C-N 3.28Å; Q116-W118 PolarHBondContact O-N 2.98Å; W118-I122 WeakPolarHBondContact O-CB 3.27Å; W118-I122 VanDerWaalsContact O-CG1 3.28Å; W118-I122 WeakPolarHBondContact O-CG1 3.28Å; W118-I122 PolarHBondContact O-N 2.85Å |
| 119 | H | 92.7 | Very high | 91.4 | Very high | 50 Ų | 50 | 75 Ų | 75 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 176.2 | -68.7 | -179.4 | 0 | 0 | 0 | 111.2 | Q115 Q116 E121 I122 D123 Q156 E201 | Q115-H119 PolarHBondContact O-CD2 3.24Å; Q115-H119 VanDerWaalsContact O-CD2 3.27Å; Q115-H119 PolarHBondContact O-N 2.9Å; Q116-H119 WeakPolarHBondContact O-CB 3.43Å; Q116-H119 PolarHBondContact O-N 2.95Å; Q116-H119 VanDerWaalsContact O-N 3.12Å; H119-E121 PolarHBondContact O-N 3.43Å; H119-I122 PolarHBondContact O-N 3.36Å; H119-D123 WeakPolarHBondContact O-CB 3.32Å; H119-D123 PolarHBondContact O-N 3.15Å; H119-Q156 VanDerWaalsContact CB-NE2 3.27Å; H119-Q156 PolarHBondContact CD2-NE2 2.93Å; H119-Q156 PolarHBondContact NE2-NE2 3.34Å; H119-Q156 PolarHBondContact O-OE1 2.69Å; H119-E201 IonicContact CD2-OE2 3.39Å; H119-E201 IonicContact CE1-OE1 3.66Å; H119-E201 PolarHBondContact CE1-OE1 3.26Å; H119-E201 IonicContact CE1-OE2 2.72Å; H119-E201 IonicContact NE2-OE1 3.52Å; H119-E201 PolarHBondContact NE2-OE1 3.03Å; H119-E201 IonicContact NE2-OE2 2.78Å; H119-E201 PolarHBondContact NE2-OE2 3.33Å |
| 120 | D | 93.2 | Very high | 91.1 | Very high | 95 Ų | 95 | 71.3 Ų | 71.3 | 51% | 0.508 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 180 | -66.9 | -19.4 | 0 | 0 | 0 | 111.7 | Q116 D123 S124 | Q116-D120 VanDerWaalsContact O-CG 3.31Å; Q116-D120 PolarHBondContact O-N 3.42Å; D120-D123 PolarHBondContact O-N 3Å; D120-S124 WeakPolarHBondContact O-CB 3.48Å; D120-S124 PolarHBondContact O-N 3.41Å |
| 121 | E | 91.4 | Very high | 90.9 | Very high | 87 Ų | 87 | 68 Ų | 68 | 41% | 0.407 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 176.6 | -174.3 | 66.2 | -163.8 | 0 | 0 | 111.4 | L117 H119 S124 V125 K140 | L117-E121 WeakPolarHBondContact O-CB 3.28Å; L117-E121 PolarHBondContact O-N 2.94Å; H119-E121 PolarHBondContact O-N 3.43Å; E121-S124 WeakPolarHBondContact O-CB 3.47Å; E121-S124 PolarHBondContact O-N 2.79Å; E121-V125 WeakPolarHBondContact O-CB 3.42Å; E121-V125 WeakPolarHBondContact O-CG2 3.3Å; E121-V125 PolarHBondContact O-N 3.19Å; E121-K140 IonicContact OE1-NZ 2.68Å; E121-K140 PolarHBondContact OE1-NZ 3.5Å |
| 122 | I | 92.3 | Very high | 90.7 | Very high | 46 Ų | 46 | 71.2 Ų | 71.2 | 24% | 0.236 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 176.8 | -68.7 | 170.2 | 0 | 0 | 0 | 110.7 | W118 H119 S124 V125 I126 Q156 | W118-I122 WeakPolarHBondContact O-CB 3.27Å; W118-I122 VanDerWaalsContact O-CG1 3.28Å; W118-I122 WeakPolarHBondContact O-CG1 3.28Å; W118-I122 PolarHBondContact O-N 2.85Å; H119-I122 PolarHBondContact O-N 3.36Å; I122-S124 VanDerWaalsContact C-N 3.34Å; I122-S124 PolarHBondContact O-N 3.46Å; I122-V125 PolarHBondContact O-N 2.89Å; I122-I126 HydrophobicContact CG2-CD1 3.8Å; I122-I126 HydrophobicContact CG2-CG1 4.33Å; I122-I126 VanDerWaalsContact O-CG1 3.3Å; I122-I126 WeakPolarHBondContact O-CG1 3.33Å; I122-I126 PolarHBondContact O-N 2.83Å; I122-Q156 HydrophobicContact CG2-CB 3.9Å; I122-Q156 HydrophobicContact CG2-CG 4.19Å |
| 123 | D | 92.6 | Very high | 90.5 | Very high | 69 Ų | 69 | 70.5 Ų | 70.5 | 37% | 0.369 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 175.6 | -169.8 | 73.1 | 0 | 0 | 0 | 111.2 | H119 D120 I126 S127 K164 | H119-D123 WeakPolarHBondContact O-CB 3.32Å; H119-D123 PolarHBondContact O-N 3.15Å; D120-D123 PolarHBondContact O-N 3Å; D123-I126 PolarHBondContact O-N 3.43Å; D123-S127 WeakPolarHBondContact O-CB 3.39Å; D123-S127 PolarHBondContact O-N 2.9Å; D123-K164 WeakPolarHBondContact OD1-CD 3.11Å; D123-K164 WeakPolarHBondContact OD1-CE 3.46Å; D123-K164 IonicContact OD1-NZ 3.64Å; D123-K164 PolarHBondContact OD1-NZ 2.85Å |
| 124 | S | 91.8 | Very high | 90.1 | Very high | 51 Ų | 51 | 69.2 Ų | 69.2 | 36% | 0.357 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.8 | -50.2 | 174.6 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | D120 E121 I122 I126 S127 E128 | D120-S124 WeakPolarHBondContact O-CB 3.48Å; D120-S124 PolarHBondContact O-N 3.41Å; E121-S124 WeakPolarHBondContact O-CB 3.47Å; E121-S124 PolarHBondContact O-N 2.79Å; I122-S124 VanDerWaalsContact C-N 3.34Å; I122-S124 PolarHBondContact O-N 3.46Å; S124-I126 VanDerWaalsContact C-N 3.33Å; S124-I126 PolarHBondContact O-N 2.91Å; S124-S127 PolarHBondContact O-N 3.26Å; S124-S127 VanDerWaalsContact O-N 3.11Å; S124-S127 PolarHBondContact O-OG 2.88Å; S124-E128 PolarHBondContact O-N 3.12Å |
| 125 | V | 92.2 | Very high | 89.7 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.6 | -43 | 177.7 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | E121 I122 Y129 K140 L144 | E121-V125 WeakPolarHBondContact O-CB 3.42Å; E121-V125 WeakPolarHBondContact O-CG2 3.3Å; E121-V125 PolarHBondContact O-N 3.19Å; I122-V125 PolarHBondContact O-N 2.89Å; V125-Y129 WeakPolarHBondContact O-CB 3.32Å; V125-Y129 PolarHBondContact O-N 3.14Å; V125-K140 HydrophobicContact CG1-CB 4.24Å; V125-K140 HydrophobicContact CG2-CB 4.11Å; V125-K140 HydrophobicContact CG2-CD 3.83Å; V125-L144 HydrophobicContact CG1-CD2 3.88Å |
| 126 | I | 93.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 176.6 | -69.8 | 169.5 | 0 | 0 | 0 | 110.8 | I122 D123 S124 E128 Y129 L144 Q156 D161 W162 K164 N165 | I122-I126 HydrophobicContact CG2-CD1 3.8Å; I122-I126 HydrophobicContact CG2-CG1 4.33Å; I122-I126 VanDerWaalsContact O-CG1 3.3Å; I122-I126 WeakPolarHBondContact O-CG1 3.33Å; I122-I126 PolarHBondContact O-N 2.83Å; D123-I126 PolarHBondContact O-N 3.43Å; S124-I126 VanDerWaalsContact C-N 3.33Å; S124-I126 PolarHBondContact O-N 2.91Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 2.88Å; I126-Y129 WeakPolarHBondContact O-CB 3.35Å; I126-Y129 PolarHBondContact O-N 3.21Å; I126-L144 HydrophobicContact CG1-CD2 3.87Å; I126-Q156 HydrophobicContact CD1-CB 4.42Å; I126-D161 HydrophobicContact CD1-CB 4.4Å; I126-W162 HydrophobicContact CB-CH2 4.38Å; I126-W162 HydrophobicContact CB-CZ3 4.39Å; I126-W162 HydrophobicContact CD1-CZ2 4.48Å; I126-W162 HydrophobicContact CG1-CH2 3.92Å; I126-W162 HydrophobicContact CG1-CZ2 3.99Å; I126-W162 HydrophobicContact CG1-CZ3 4.41Å; I126-W162 HydrophobicContact CG2-CD2 4.08Å; I126-W162 HydrophobicContact CG2-CE3 3.76Å; I126-W162 HydrophobicContact CG2-CH2 4.18Å; I126-W162 HydrophobicContact CG2-CZ2 4.45Å; I126-W162 HydrophobicContact CG2-CZ3 3.83Å; I126-K164 HydrophobicContact CG2-CG 4.43Å; I126-N165 PolarHBondContact O-ND2 3.06Å |
| 127 | S | 92.6 | Very high | 89.1 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.7 | -36.7 | -177.2 | 76.3 | 0 | 0 | 0 | 0 | 112.7 | D123 S124 | D123-S127 WeakPolarHBondContact O-CB 3.39Å; D123-S127 PolarHBondContact O-N 2.9Å; S124-S127 PolarHBondContact O-N 3.26Å; S124-S127 VanDerWaalsContact O-N 3.11Å; S124-S127 PolarHBondContact O-OG 2.88Å |
| 128 | E | 92 | Very high | 88.7 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -93.7 | -6.5 | -178.4 | -65.6 | -66.9 | -175.7 | 0 | 0 | 113.4 | S124 I126 G130 S131 K134 W141 N167 | S124-E128 PolarHBondContact O-N 3.12Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 2.88Å; E128-G130 PolarHBondContact O-N 2.87Å; E128-S131 WeakPolarHBondContact O-CB 3.49Å; E128-S131 PolarHBondContact O-N 3.4Å; E128-K134 HydrophobicContact CB-CD 4.28Å; E128-K134 HydrophobicContact CG-CD 4.06Å; E128-K134 IonicContact OE1-NZ 3.51Å; E128-K134 PolarHBondContact OE1-NZ 3.36Å; E128-K134 IonicContact OE2-NZ 2.64Å; E128-W141 WeakPolarHBondContact O-CZ2 3.46Å; E128-N167 PolarHBondContact O-ND2 3.08Å |
| 129 | Y | 91.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 130.5 | -177.4 | -177.5 | -79 | 0 | 0 | 0 | 112.1 | V125 I126 S131 W141 L144 N145 W162 N165 N167 P175 W186 F187 | V125-Y129 WeakPolarHBondContact O-CB 3.32Å; V125-Y129 PolarHBondContact O-N 3.14Å; I126-Y129 WeakPolarHBondContact O-CB 3.35Å; I126-Y129 PolarHBondContact O-N 3.21Å; Y129-S131 VanDerWaalsContact C-N 3.26Å; Y129-S131 PolarHBondContact O-N 3Å; Y129-W141 HydrophobicContact CD2-CB 3.55Å; Y129-W141 AromaticContact CD2-CD1 3.74Å; Y129-W141 HydrophobicContact CD2-CD2 4.4Å; Y129-W141 AromaticContact CD2-CG 3.61Å; Y129-W141 HydrophobicContact CD2-CG 3.61Å; Y129-W141 HydrophobicContact CE2-CB 3.64Å; Y129-W141 HydrophobicContact CE2-CG 4.21Å; Y129-W141 HydrophobicContact CG-CB 4.49Å; Y129-W141 HydrophobicContact CG-CG 4.2Å; Y129-L144 HydrophobicContact CD2-CD2 4.5Å; Y129-N145 WeakPolarHBondContact CE2-OD1 3.4Å; Y129-N145 VanDerWaalsContact OH-CG 3.23Å; Y129-N145 PolarHBondContact OH-ND2 3.33Å; Y129-N145 PolarHBondContact OH-OD1 2.91Å; Y129-W162 HydrophobicContact CD1-CH2 4.45Å; Y129-W162 AromaticContact CD1-CZ3 3.9Å; Y129-W162 HydrophobicContact CD1-CZ3 3.9Å; Y129-W162 AromaticContact CD2-CH2 3.91Å; Y129-W162 HydrophobicContact CD2-CH2 3.91Å; Y129-W162 HydrophobicContact CD2-CZ3 4.09Å; Y129-W162 HydrophobicContact CE1-CZ3 4.45Å; Y129-W162 HydrophobicContact CE2-CH2 4.24Å; Y129-W162 HydrophobicContact CG-CH2 4.01Å; Y129-W162 AromaticContact CG-CZ3 3.69Å; Y129-W162 HydrophobicContact CG-CZ3 3.69Å; Y129-N165 WeakPolarHBondContact CB-ND2 3.28Å; Y129-N165 PolarHBondContact O-ND2 2.97Å; Y129-N167 PolarHBondContact O-ND2 3.47Å; Y129-P175 HydrophobicContact CE1-CB 4.3Å; Y129-P175 HydrophobicContact CE1-CG 4.08Å; Y129-W186 HydrophobicContact CD1-CE3 4.47Å; Y129-W186 HydrophobicContact CE1-CB 4.19Å; Y129-W186 AromaticContact CE1-CE3 3.68Å; Y129-W186 HydrophobicContact CE1-CE3 3.68Å; Y129-W186 HydrophobicContact CE1-CZ3 4.47Å; Y129-W186 HydrophobicContact CE2-CE3 4.08Å; Y129-W186 HydrophobicContact CE2-CZ3 4.08Å; Y129-W186 AromaticContact CZ-CE3 3.45Å; Y129-W186 VanDerWaalsContact CZ-CE3 3.45Å; Y129-W186 AromaticContact CZ-CZ3 3.92Å; Y129-W186 PolarHBondContact OH-O 3.25Å; Y129-F187 AromaticContact CD1-CE1 3.66Å; Y129-F187 HydrophobicContact CD1-CE1 3.66Å; Y129-F187 HydrophobicContact CD1-CE2 4.24Å; Y129-F187 AromaticContact CD1-CZ 3.47Å; Y129-F187 HydrophobicContact CD1-CZ 3.47Å; Y129-F187 VanDerWaalsContact CD1-CZ 3.47Å; Y129-F187 HydrophobicContact CE1-CD1 4.36Å; Y129-F187 AromaticContact CE1-CE1 3.83Å; Y129-F187 HydrophobicContact CE1-CE1 3.83Å; Y129-F187 HydrophobicContact CE1-CE2 4.46Å; Y129-F187 AromaticContact CE1-CZ 3.92Å; Y129-F187 HydrophobicContact CE1-CZ 3.92Å |
| 130 | G | 86.9 | Confident | 87.8 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 8.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E128 | E128-G130 PolarHBondContact O-N 2.87Š|
| 131 | S | 88.6 | Confident | 87.6 | Confident | 10 Ų | 10 | 58 Ų | 58 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | trans | -64.6 | 137.6 | 176.2 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | E128 Y129 D133 W141 N167 | E128-S131 WeakPolarHBondContact O-CB 3.49Å; E128-S131 PolarHBondContact O-N 3.4Å; Y129-S131 VanDerWaalsContact C-N 3.26Å; Y129-S131 PolarHBondContact O-N 3Å; S131-D133 VanDerWaalsContact C-N 3.33Å; S131-D133 PolarHBondContact OG-N 3.47Å; S131-W141 WeakPolarHBondContact O-CH2 3.43Å; S131-N167 PolarHBondContact N-ND2 2.82Å | ||
| 132 | K | 84.7 | Confident | 87.1 | Confident | 197 Ų | 197 | 54 Ų | 54 | 86% | 0.857 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -81.4 | -18.5 | 173.9 | -66.8 | -179 | -177.9 | 174.1 | 0 | 112.4 | ||
| 133 | D | 86.3 | Confident | 86.6 | Confident | 146 Ų | 146 | 55.3 Ų | 55.3 | 78% | 0.781 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -86.9 | -9.5 | -174.1 | -58.9 | -39.6 | 0 | 0 | 0 | 112.8 | S131 P135 | S131-D133 VanDerWaalsContact C-N 3.33Å; S131-D133 PolarHBondContact OG-N 3.47Å; D133-P135 VanDerWaalsContact C-CD 3.5Å |
| 134 | K | 83.2 | Confident | 86.4 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | trans | -128 | 64 | -178.3 | -64.8 | -176.2 | 174.9 | 179.5 | 0 | 112.6 | E128 E136 D137 W141 | E128-K134 HydrophobicContact CB-CD 4.28Å; E128-K134 HydrophobicContact CG-CD 4.06Å; E128-K134 IonicContact OE1-NZ 3.51Å; E128-K134 PolarHBondContact OE1-NZ 3.36Å; E128-K134 IonicContact OE2-NZ 2.64Å; K134-E136 PolarHBondContact O-N 3.45Å; K134-D137 HydrophobicContact CB-CB 4.39Å; K134-D137 PolarHBondContact O-N 2.86Å; K134-D137 VanDerWaalsContact O-N 3.13Å; K134-W141 WeakPolarHBondContact O-CH2 3.3Å | ||
| 135 | P | 78.7 | Confident | 86.2 | Confident | 79 Ų | 79 | 51.1 Ų | 51.1 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -62.5 | -23.1 | -179.8 | 27.6 | -35.6 | 0 | 0 | 0 | 113.3 | D133 D137 I138 | D133-P135 VanDerWaalsContact C-CD 3.5Å; P135-D137 PolarHBondContact O-N 3.38Å; P135-I138 HydrophobicContact CB-CD1 4.25Å; P135-I138 WeakPolarHBondContact O-CB 3.44Å; P135-I138 VanDerWaalsContact O-CD1 3.27Å; P135-I138 WeakPolarHBondContact O-CD1 3.38Å; P135-I138 WeakPolarHBondContact O-CG1 3.45Å; P135-I138 PolarHBondContact O-N 3.34Å |
| 136 | E | 81.8 | Confident | 85.8 | Confident | 135 Ų | 135 | 50.7 Ų | 50.7 | 63% | 0.631 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -62.9 | -28.3 | 174.3 | 58.6 | -91.6 | -152.7 | 0 | 0 | 113.6 | K134 I138 | K134-E136 PolarHBondContact O-N 3.45Å; E136-I138 VanDerWaalsContact C-N 3.29Å; E136-I138 PolarHBondContact O-N 3.39Å |
| 137 | D | 84.8 | Confident | 85.6 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -82.4 | -5.3 | -176.9 | -77.1 | -30.7 | 0 | 0 | 0 | 113.3 | K134 P135 T139 K140 W141 | K134-D137 HydrophobicContact CB-CB 4.39Å; K134-D137 PolarHBondContact O-N 2.86Å; K134-D137 VanDerWaalsContact O-N 3.13Å; P135-D137 PolarHBondContact O-N 3.38Å; D137-T139 PolarHBondContact O-N 3.32Å; D137-T139 VanDerWaalsContact O-N 3.09Å; D137-K140 WeakPolarHBondContact O-CA 3.33Å; D137-K140 WeakPolarHBondContact O-CB 3.47Å; D137-K140 PolarHBondContact O-N 3.07Å; D137-K140 WeakPolarHBondContact OD1-CD 3.34Å; D137-K140 WeakPolarHBondContact OD1-CE 3.22Å; D137-K140 IonicContact OD1-NZ 3.5Å; D137-W141 HydrophobicContact CB-CD2 4.45Å; D137-W141 HydrophobicContact CB-CH2 4.33Å; D137-W141 HydrophobicContact CB-CZ2 3.53Å; D137-W141 PolarHBondContact O-N 3.38Å |
| 138 | I | 82.4 | Confident | 85.5 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -51.5 | -38.4 | 176 | -69.2 | 171.8 | 0 | 0 | 0 | 111.3 | P135 E136 W141 T142 W186 | P135-I138 HydrophobicContact CB-CD1 4.25Å; P135-I138 WeakPolarHBondContact O-CB 3.44Å; P135-I138 VanDerWaalsContact O-CD1 3.27Å; P135-I138 WeakPolarHBondContact O-CD1 3.38Å; P135-I138 WeakPolarHBondContact O-CG1 3.45Å; P135-I138 PolarHBondContact O-N 3.34Å; E136-I138 VanDerWaalsContact C-N 3.29Å; E136-I138 PolarHBondContact O-N 3.39Å; I138-W141 HydrophobicContact CB-CE3 4.49Å; I138-W141 HydrophobicContact CG1-CE3 4.04Å; I138-W141 HydrophobicContact CG1-CZ3 3.81Å; I138-W141 PolarHBondContact O-N 3.45Å; I138-T142 WeakPolarHBondContact O-CB 3.42Å; I138-T142 PolarHBondContact O-N 3.3Å; I138-T142 PolarHBondContact O-OG1 3.07Å; I138-W186 HydrophobicContact CG2-CH2 4.22Å; I138-W186 HydrophobicContact CG2-CZ2 4.4Å |
| 139 | T | 79.5 | Confident | 85.3 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 30% | 0.301 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 176.6 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | S55 D137 T142 I143 | S55-T139 WeakPolarHBondContact OG-CG2 3.42Å; D137-T139 PolarHBondContact O-N 3.32Å; D137-T139 VanDerWaalsContact O-N 3.09Å; T139-T142 PolarHBondContact O-N 3Å; T139-I143 HydrophobicContact CG2-CD1 4.2Å; T139-I143 WeakPolarHBondContact O-CG1 3.36Å; T139-I143 PolarHBondContact O-N 3.45Å |
| 140 | K | 85.6 | Confident | 85 | Confident | 80 Ų | 80 | 58.9 Ų | 58.9 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 178.6 | -59.2 | -173.1 | -174.7 | -179.1 | 0 | 111.1 | E121 V125 D137 T142 I143 L144 | E121-K140 IonicContact OE1-NZ 2.68Å; E121-K140 PolarHBondContact OE1-NZ 3.5Å; V125-K140 HydrophobicContact CG1-CB 4.24Å; V125-K140 HydrophobicContact CG2-CB 4.11Å; V125-K140 HydrophobicContact CG2-CD 3.83Å; D137-K140 WeakPolarHBondContact O-CA 3.33Å; D137-K140 WeakPolarHBondContact O-CB 3.47Å; D137-K140 PolarHBondContact O-N 3.07Å; D137-K140 WeakPolarHBondContact OD1-CD 3.34Å; D137-K140 WeakPolarHBondContact OD1-CE 3.22Å; D137-K140 IonicContact OD1-NZ 3.5Å; K140-T142 VanDerWaalsContact C-N 3.3Å; K140-T142 PolarHBondContact O-N 2.95Å; K140-I143 WeakPolarHBondContact O-CB 3.48Å; K140-I143 PolarHBondContact O-N 2.75Å; K140-L144 PolarHBondContact O-N 2.94Å |
| 141 | W | 87.4 | Confident | 85.2 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.015 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 177.6 | -54.4 | -23.2 | 0 | 0 | 0 | 112.3 | E128 Y129 S131 K134 D137 I138 L144 N145 W186 | E128-W141 WeakPolarHBondContact O-CZ2 3.46Å; Y129-W141 HydrophobicContact CD2-CB 3.55Å; Y129-W141 AromaticContact CD2-CD1 3.74Å; Y129-W141 HydrophobicContact CD2-CD2 4.4Å; Y129-W141 AromaticContact CD2-CG 3.61Å; Y129-W141 HydrophobicContact CD2-CG 3.61Å; Y129-W141 HydrophobicContact CE2-CB 3.64Å; Y129-W141 HydrophobicContact CE2-CG 4.21Å; Y129-W141 HydrophobicContact CG-CB 4.49Å; Y129-W141 HydrophobicContact CG-CG 4.2Å; S131-W141 WeakPolarHBondContact O-CH2 3.43Å; K134-W141 WeakPolarHBondContact O-CH2 3.3Å; D137-W141 HydrophobicContact CB-CD2 4.45Å; D137-W141 HydrophobicContact CB-CH2 4.33Å; D137-W141 HydrophobicContact CB-CZ2 3.53Å; D137-W141 PolarHBondContact O-N 3.38Å; I138-W141 HydrophobicContact CB-CE3 4.49Å; I138-W141 HydrophobicContact CG1-CE3 4.04Å; I138-W141 HydrophobicContact CG1-CZ3 3.81Å; I138-W141 PolarHBondContact O-N 3.45Å; W141-L144 PolarHBondContact O-N 3.46Å; W141-N145 WeakPolarHBondContact O-CB 3.01Å; W141-N145 VanDerWaalsContact O-CG 3.25Å; W141-N145 PolarHBondContact O-N 3.32Å; W141-N145 PolarHBondContact O-ND2 2.92Å; W141-W186 HydrophobicContact CB-CH2 4.05Å; W141-W186 HydrophobicContact CB-CZ3 3.59Å; W141-W186 HydrophobicContact CD2-CZ3 4.44Å; W141-W186 HydrophobicContact CE3-CE3 4.46Å; W141-W186 AromaticContact CE3-CH2 3.73Å; W141-W186 HydrophobicContact CE3-CH2 3.73Å; W141-W186 HydrophobicContact CE3-CZ2 4.21Å; W141-W186 AromaticContact CE3-CZ3 3.88Å; W141-W186 HydrophobicContact CE3-CZ3 3.88Å; W141-W186 HydrophobicContact CG-CZ3 4.38Å |
| 142 | T | 81.4 | Confident | 85.4 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 177.7 | -47.1 | 0 | 0 | 0 | 0 | 111.5 | E48 H51 F52 I138 T139 K140 L144 N145 A146 | E48-T142 WeakPolarHBondContact O-CG2 3.44Å; H51-T142 HydrophobicContact CB-CG2 4.16Å; F52-T142 HydrophobicContact CB-CG2 3.56Å; I138-T142 WeakPolarHBondContact O-CB 3.42Å; I138-T142 PolarHBondContact O-N 3.3Å; I138-T142 PolarHBondContact O-OG1 3.07Å; T139-T142 PolarHBondContact O-N 3Å; K140-T142 VanDerWaalsContact C-N 3.3Å; K140-T142 PolarHBondContact O-N 2.95Å; T142-L144 VanDerWaalsContact C-N 3.34Å; T142-N145 PolarHBondContact O-N 2.87Å; T142-A146 PolarHBondContact O-N 3.31Å |
| 143 | I | 82.6 | Confident | 85.9 | Confident | 72 Ų | 72 | 56 Ų | 56 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.1 | -47.7 | 171.3 | -67.9 | 159.3 | 0 | 0 | 0 | 110.2 | F52 T139 K140 N145 A146 L147 | F52-I143 HydrophobicContact CD2-CB 4.01Å; F52-I143 HydrophobicContact CD2-CG1 3.53Å; F52-I143 HydrophobicContact CD2-CG2 4.45Å; F52-I143 HydrophobicContact CE2-CB 4.2Å; F52-I143 HydrophobicContact CE2-CG1 3.95Å; F52-I143 HydrophobicContact CE2-CG2 4.13Å; T139-I143 HydrophobicContact CG2-CD1 4.2Å; T139-I143 WeakPolarHBondContact O-CG1 3.36Å; T139-I143 PolarHBondContact O-N 3.45Å; K140-I143 WeakPolarHBondContact O-CB 3.48Å; K140-I143 PolarHBondContact O-N 2.75Å; I143-N145 VanDerWaalsContact C-N 3.34Å; I143-N145 PolarHBondContact O-N 3.34Å; I143-A146 PolarHBondContact O-N 3.29Å; I143-L147 WeakPolarHBondContact O-CB 3.45Å; I143-L147 PolarHBondContact O-N 3.02Å |
| 144 | L | 88.6 | Confident | 86.2 | Confident | 17 Ų | 17 | 49 Ų | 49 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 178.4 | -177.2 | 57.9 | 0 | 0 | 0 | 111.4 | V125 I126 Y129 K140 W141 T142 A146 L147 Q148 W162 | V125-L144 HydrophobicContact CG1-CD2 3.88Å; I126-L144 HydrophobicContact CG1-CD2 3.87Å; Y129-L144 HydrophobicContact CD2-CD2 4.5Å; K140-L144 PolarHBondContact O-N 2.94Å; W141-L144 PolarHBondContact O-N 3.46Å; T142-L144 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.02Å; L144-L147 PolarHBondContact O-N 3.11Å; L144-Q148 HydrophobicContact CD1-CG 4.24Å; L144-Q148 WeakPolarHBondContact O-CB 3.17Å; L144-Q148 VanDerWaalsContact O-CG 3.23Å; L144-Q148 WeakPolarHBondContact O-CG 3.07Å; L144-Q148 PolarHBondContact O-N 3.36Å; L144-Q148 PolarHBondContact O-OE1 2.89Å; L144-W162 HydrophobicContact CD2-CH2 3.72Å; L144-W162 HydrophobicContact CD2-CZ2 3.98Å |
| 145 | N | 87.6 | Confident | 86.8 | Confident | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.08 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 175.9 | -75.7 | -18.5 | 0 | 0 | 0 | 113 | Y129 W141 T142 I143 Q148 K149 S177 | Y129-N145 WeakPolarHBondContact CE2-OD1 3.4Å; Y129-N145 VanDerWaalsContact OH-CG 3.23Å; Y129-N145 PolarHBondContact OH-ND2 3.33Å; Y129-N145 PolarHBondContact OH-OD1 2.91Å; W141-N145 WeakPolarHBondContact O-CB 3.01Å; W141-N145 VanDerWaalsContact O-CG 3.25Å; W141-N145 PolarHBondContact O-N 3.32Å; W141-N145 PolarHBondContact O-ND2 2.92Å; T142-N145 PolarHBondContact O-N 2.87Å; I143-N145 VanDerWaalsContact C-N 3.34Å; I143-N145 PolarHBondContact O-N 3.34Å; N145-Q148 PolarHBondContact O-N 3.02Å; N145-K149 WeakPolarHBondContact O-CB 3.07Å; N145-K149 PolarHBondContact O-N 3Å; N145-S177 WeakPolarHBondContact O-CB 3.43Å; N145-S177 WeakPolarHBondContact OD1-CB 3.49Å; N145-S177 PolarHBondContact OD1-OG 3.5Å |
| 146 | A | 82.9 | Confident | 87.5 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | F52 T142 I143 L144 Q148 K149 T150 | F52-A146 HydrophobicContact CB-CB 4.49Å; F52-A146 HydrophobicContact CD1-CB 3.44Å; F52-A146 VanDerWaalsContact CD1-CB 3.44Å; F52-A146 HydrophobicContact CD2-CB 4.08Å; F52-A146 HydrophobicContact CE1-CB 3.35Å; F52-A146 HydrophobicContact CE2-CB 4Å; F52-A146 HydrophobicContact CG-CB 3.77Å; F52-A146 HydrophobicContact CZ-CB 3.6Å; T142-A146 PolarHBondContact O-N 3.31Å; I143-A146 PolarHBondContact O-N 3.29Å; L144-A146 PolarHBondContact O-N 3.02Å; A146-Q148 PolarHBondContact O-N 3.3Å; A146-K149 PolarHBondContact O-N 3.42Å; A146-T150 VanDerWaalsContact O-CB 3.3Å; A146-T150 WeakPolarHBondContact O-CB 3.39Å; A146-T150 PolarHBondContact O-N 3.07Å; A146-T150 PolarHBondContact O-OG1 2.93Å |
| 147 | L | 88.1 | Confident | 88.1 | Confident | 54 Ų | 54 | 41.1 Ų | 41.1 | 28% | 0.283 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.8 | -49.3 | 177.6 | -174.1 | 154.3 | 0 | 0 | 0 | 111.5 | I143 L144 K149 T150 L151 C200 I204 | I143-L147 WeakPolarHBondContact O-CB 3.45Å; I143-L147 PolarHBondContact O-N 3.02Å; L144-L147 PolarHBondContact O-N 3.11Å; L147-K149 VanDerWaalsContact C-N 3.32Å; L147-K149 PolarHBondContact O-N 2.94Å; L147-T150 PolarHBondContact O-N 3.44Å; L147-L151 HydrophobicContact CD2-CD1 3.97Å; L147-L151 HydrophobicContact CG-CD1 4.06Å; L147-L151 WeakPolarHBondContact O-CB 3.48Å; L147-L151 PolarHBondContact O-N 3.38Å; L147-C200 HydrophobicContact CD2-CB 3.58Å; L147-C200 VanDerWaalsContact CD2-SG 3.52Å; L147-I204 HydrophobicContact CD1-CD1 4.07Å; L147-I204 HydrophobicContact CD2-CD1 4.28Å |
| 148 | Q | 91.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.5 | -42.9 | 178.2 | -73.5 | 175.3 | -72.5 | 0 | 0 | 112.2 | L144 N145 A146 Q152 C153 S177 C178 | L144-Q148 HydrophobicContact CD1-CG 4.24Å; L144-Q148 WeakPolarHBondContact O-CB 3.17Å; L144-Q148 VanDerWaalsContact O-CG 3.23Å; L144-Q148 WeakPolarHBondContact O-CG 3.07Å; L144-Q148 PolarHBondContact O-N 3.36Å; L144-Q148 PolarHBondContact O-OE1 2.89Å; N145-Q148 PolarHBondContact O-N 3.02Å; A146-Q148 PolarHBondContact O-N 3.3Å; Q148-Q152 VanDerWaalsContact O-CA 3.23Å; Q148-Q152 WeakPolarHBondContact O-CA 3.2Å; Q148-Q152 PolarHBondContact O-N 3.43Å; Q148-C153 WeakPolarHBondContact CA-O 3.37Å; Q148-C153 VanDerWaalsContact CB-O 3.31Å; Q148-C153 WeakPolarHBondContact CB-O 3.14Å; Q148-C153 PolarHBondContact O-N 3.42Å; Q148-S177 PolarHBondContact OE1-OG 3.31Å; Q148-C178 PolarHBondContact NE2-SG 2.99Å |
| 149 | K | 87.1 | Confident | 88.9 | Confident | 100 Ų | 100 | 43.9 Ų | 43.9 | 44% | 0.435 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -72.4 | -40.5 | -179.9 | -165.4 | 160.7 | -172 | 157.4 | 0 | 112.9 | N145 A146 L147 | N145-K149 WeakPolarHBondContact O-CB 3.07Å; N145-K149 PolarHBondContact O-N 3Å; A146-K149 PolarHBondContact O-N 3.42Å; L147-K149 VanDerWaalsContact C-N 3.32Å; L147-K149 PolarHBondContact O-N 2.94Å |
| 150 | T | 86.2 | Confident | 89.5 | Confident | 111 Ų | 111 | 44.4 Ų | 44.4 | 68% | 0.681 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -70.7 | -42.2 | -179.8 | -65.7 | 0 | 0 | 0 | 0 | 112 | A146 L147 | A146-T150 VanDerWaalsContact O-CB 3.3Å; A146-T150 WeakPolarHBondContact O-CB 3.39Å; A146-T150 PolarHBondContact O-N 3.07Å; A146-T150 PolarHBondContact O-OG1 2.93Å; L147-T150 PolarHBondContact O-N 3.44Å |
| 151 | L | 90.3 | Very high | 89.9 | Confident | 51 Ų | 51 | 41.8 Ų | 41.8 | 27% | 0.267 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -90.6 | -4.5 | -179.3 | -63.5 | -179.8 | 0 | 0 | 0 | 113.4 | L147 K203 I204 | L147-L151 HydrophobicContact CD2-CD1 3.97Å; L147-L151 HydrophobicContact CG-CD1 4.06Å; L147-L151 WeakPolarHBondContact O-CB 3.48Å; L147-L151 PolarHBondContact O-N 3.38Å; L151-K203 HydrophobicContact CB-CB 4.26Å; L151-K203 HydrophobicContact CD1-CB 4.4Å; L151-K203 WeakPolarHBondContact O-CE 3.33Å; L151-I204 HydrophobicContact CD1-CD1 4.37Å; L151-I204 HydrophobicContact CD1-CG1 3.55Å |
| 152 | Q | 92.3 | Very high | 90.1 | Very high | 115 Ų | 115 | 41.7 Ų | 41.7 | 54% | 0.537 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 55.1 | -177.2 | -59.9 | -175 | -35.6 | 0 | 0 | 111.5 | Q148 Y196 | Q148-Q152 VanDerWaalsContact O-CA 3.23Å; Q148-Q152 WeakPolarHBondContact O-CA 3.2Å; Q148-Q152 PolarHBondContact O-N 3.43Å; Q152-Y196 HydrophobicContact CB-CD1 3.97Å; Q152-Y196 HydrophobicContact CB-CD2 4.46Å; Q152-Y196 HydrophobicContact CB-CE1 3.77Å; Q152-Y196 HydrophobicContact CB-CE2 4.3Å; Q152-Y196 HydrophobicContact CB-CG 4.33Å; Q152-Y196 HydrophobicContact CG-CE1 4.08Å |
| 153 | C | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -134.2 | 164.7 | -177.8 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | Q148 E198 C200 K203 | Q148-C153 WeakPolarHBondContact CA-O 3.37Å; Q148-C153 VanDerWaalsContact CB-O 3.31Å; Q148-C153 WeakPolarHBondContact CB-O 3.14Å; Q148-C153 PolarHBondContact O-N 3.42Å; C153-E198 CarbonylContact C-O 3.07Å; C153-E198 VanDerWaalsContact CA-O 3.25Å; C153-E198 WeakPolarHBondContact CA-O 3.02Å; C153-E198 VanDerWaalsContact CB-O 3.3Å; C153-E198 WeakPolarHBondContact CB-O 3.5Å; C153-C200 HydrophobicContact CB-CB 3.9Å; C153-C200 WeakPolarHBondContact CB-SG 3.31Å; C153-C200 WeakPolarHBondContact SG-CA 3.47Å; C153-C200 WeakPolarHBondContact SG-CB 3.32Å; C153-C200 CovalentContact SG-SG 2.04Å; C153-C200 PolarHBondContact SG-SG 2.65Å; C153-K203 HydrophobicContact CB-CG 3.84Å | ||
| 154 | C | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -140.4 | 129.7 | 178.8 | -170 | 0 | 0 | 0 | 0 | 112.2 | N158 Y159 W162 C178 Y196 E198 | C154-N158 CarbonylContact O-C 3.52Å; C154-Y159 PolarHBondContact O-N 3.37Å; C154-W162 PolarHBondContact SG-NE1 3.18Å; C154-C178 VanDerWaalsContact CA-SG 3.55Å; C154-C178 HydrophobicContact CB-CB 3.65Å; C154-C178 WeakPolarHBondContact CB-SG 3.47Å; C154-C178 WeakPolarHBondContact SG-CB 3.32Å; C154-C178 CovalentContact SG-SG 2.03Å; C154-C178 PolarHBondContact SG-SG 2.87Å; C154-Y196 WeakPolarHBondContact CB-O 3.37Å; C154-E198 PolarHBondContact N-O 3.33Å | ||
| 155 | G | 94.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 70.6 | -174.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C200 | G155-C200 VanDerWaalsContact O-CB 3.32Å; G155-C200 WeakPolarHBondContact O-CB 3.02Å; G155-C200 PolarHBondContact O-N 3Å; G155-C200 PolarHBondContact O-SG 3.28Å; G155-C200 VanDerWaalsContact O-SG 3.39Å |
| 156 | Q | 94 | Very high | 91 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -78.8 | -58.7 | 179.2 | -178.5 | -177.3 | -16.4 | 0 | 0 | 109.8 | H119 I122 I126 D161 G199 C200 E201 | H119-Q156 VanDerWaalsContact CB-NE2 3.27Å; H119-Q156 PolarHBondContact CD2-NE2 2.93Å; H119-Q156 PolarHBondContact NE2-NE2 3.34Å; H119-Q156 PolarHBondContact O-OE1 2.69Å; I122-Q156 HydrophobicContact CG2-CB 3.9Å; I122-Q156 HydrophobicContact CG2-CG 4.19Å; I126-Q156 HydrophobicContact CD1-CB 4.42Å; Q156-D161 WeakPolarHBondContact CA-OD2 3.36Å; Q156-D161 WeakPolarHBondContact CB-OD2 3.24Å; Q156-D161 PolarHBondContact N-OD2 3.3Å; Q156-G199 CarbonylContact O-C 3.39Å; Q156-G199 WeakPolarHBondContact O-CA 3.48Å; Q156-C200 PolarHBondContact O-N 2.88Å; Q156-C200 VanDerWaalsContact O-N 3.12Å; Q156-E201 VanDerWaalsContact O-CB 3.29Å; Q156-E201 WeakPolarHBondContact O-CB 3.28Å; Q156-E201 PolarHBondContact O-N 3.09Å |
| 157 | H | 94.6 | Very high | 91.2 | Very high | 104 Ų | 104 | 57 Ų | 57 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -100.1 | -36.9 | 179.6 | -52.8 | 100.3 | 0 | 0 | 0 | 111.5 | D161 G199 E201 | H157-D161 PolarHBondContact N-OD2 2.84Å; H157-D161 IonicContact ND1-OD2 3.91Å; H157-G199 WeakPolarHBondContact O-CA 3.31Å; H157-G199 PolarHBondContact O-N 2.96Å; H157-E201 IonicContact CD2-OE2 2.95Å; H157-E201 IonicContact NE2-OE2 2.87Å; H157-E201 PolarHBondContact NE2-OE2 3.29Å |
| 158 | N | 93.4 | Very high | 91.2 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 31% | 0.305 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -164.3 | 167.5 | -179.1 | -153.9 | -58.9 | 0 | 0 | 0 | 111.9 | C154 T160 D161 L197 | C154-N158 CarbonylContact O-C 3.52Å; N158-T160 PolarHBondContact O-N 2.98Å; N158-T160 VanDerWaalsContact O-N 3.13Å; N158-D161 PolarHBondContact N-OD2 3.21Å; N158-D161 VanDerWaalsContact O-CB 3.28Å; N158-D161 WeakPolarHBondContact O-CB 3.48Å; N158-D161 VanDerWaalsContact O-CG 3.23Å; N158-D161 PolarHBondContact O-N 3.47Å; N158-L197 VanDerWaalsContact CG-O 3.25Å; N158-L197 PolarHBondContact ND2-O 3.04Å; N158-L197 PolarHBondContact OD1-O 3.3Å |
| 159 | Y | 90.8 | Very high | 90.8 | Very high | 74 Ų | 74 | 63.4 Ų | 63.4 | 29% | 0.29 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -57.4 | -26.9 | 174.6 | 82 | -92.1 | 0 | 0 | 0 | 112.9 | C154 D161 W162 L197 | C154-Y159 PolarHBondContact O-N 3.37Å; Y159-D161 PolarHBondContact O-N 2.87Å; Y159-W162 WeakPolarHBondContact O-CB 3.47Å; Y159-W162 VanDerWaalsContact O-CD1 3.29Å; Y159-W162 PolarHBondContact O-N 3.31Å; Y159-W162 VanDerWaalsContact O-N 3.16Å; Y159-L197 HydrophobicContact CD1-CD2 3.68Å; Y159-L197 HydrophobicContact CE1-CD2 3.89Å; Y159-L197 HydrophobicContact CG-CD2 4.5Å |
| 160 | T | 91.8 | Very high | 90.6 | Very high | 60 Ų | 60 | 63.1 Ų | 63.1 | 37% | 0.368 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -64.5 | -18.9 | 177.5 | 55 | 0 | 0 | 0 | 0 | 113.2 | N158 W162 I163 | N158-T160 PolarHBondContact O-N 2.98Å; N158-T160 VanDerWaalsContact O-N 3.13Å; T160-W162 PolarHBondContact O-N 3.39Å; T160-W162 VanDerWaalsContact O-N 3.12Å; T160-I163 HydrophobicContact CG2-CD1 4.26Å; T160-I163 VanDerWaalsContact O-CB 3.27Å; T160-I163 WeakPolarHBondContact O-CB 3.41Å; T160-I163 VanDerWaalsContact O-CG1 3.25Å; T160-I163 WeakPolarHBondContact O-CG1 3.25Å; T160-I163 PolarHBondContact O-N 3.14Å |
| 161 | D | 92.9 | Very high | 90.3 | Very high | 25 Ų | 25 | 62.6 Ų | 62.6 | 13% | 0.134 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -57.4 | -27 | 174 | -68 | -25.3 | 0 | 0 | 0 | 111.7 | I126 Q156 H157 N158 Y159 I163 K164 | I126-D161 HydrophobicContact CD1-CB 4.4Å; Q156-D161 WeakPolarHBondContact CA-OD2 3.36Å; Q156-D161 WeakPolarHBondContact CB-OD2 3.24Å; Q156-D161 PolarHBondContact N-OD2 3.3Å; H157-D161 PolarHBondContact N-OD2 2.84Å; H157-D161 IonicContact ND1-OD2 3.91Å; N158-D161 PolarHBondContact N-OD2 3.21Å; N158-D161 VanDerWaalsContact O-CB 3.28Å; N158-D161 WeakPolarHBondContact O-CB 3.48Å; N158-D161 VanDerWaalsContact O-CG 3.23Å; N158-D161 PolarHBondContact O-N 3.47Å; Y159-D161 PolarHBondContact O-N 2.87Å; D161-I163 PolarHBondContact O-N 2.67Å; D161-K164 WeakPolarHBondContact O-CD 3.18Å; D161-K164 WeakPolarHBondContact O-CE 3.14Å; D161-K164 WeakPolarHBondContact O-CG 3.18Å; D161-K164 PolarHBondContact O-N 2.98Å |
| 162 | W | 92.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -70.4 | -15.1 | 177.7 | -67.4 | 100.2 | 0 | 0 | 0 | 113.3 | I126 Y129 L144 C154 Y159 T160 K164 N165 K168 V174 P175 F187 | I126-W162 HydrophobicContact CB-CH2 4.38Å; I126-W162 HydrophobicContact CB-CZ3 4.39Å; I126-W162 HydrophobicContact CD1-CZ2 4.48Å; I126-W162 HydrophobicContact CG1-CH2 3.92Å; I126-W162 HydrophobicContact CG1-CZ2 3.99Å; I126-W162 HydrophobicContact CG1-CZ3 4.41Å; I126-W162 HydrophobicContact CG2-CD2 4.08Å; I126-W162 HydrophobicContact CG2-CE3 3.76Å; I126-W162 HydrophobicContact CG2-CH2 4.18Å; I126-W162 HydrophobicContact CG2-CZ2 4.45Å; I126-W162 HydrophobicContact CG2-CZ3 3.83Å; Y129-W162 HydrophobicContact CD1-CH2 4.45Å; Y129-W162 AromaticContact CD1-CZ3 3.9Å; Y129-W162 HydrophobicContact CD1-CZ3 3.9Å; Y129-W162 AromaticContact CD2-CH2 3.91Å; Y129-W162 HydrophobicContact CD2-CH2 3.91Å; Y129-W162 HydrophobicContact CD2-CZ3 4.09Å; Y129-W162 HydrophobicContact CE1-CZ3 4.45Å; Y129-W162 HydrophobicContact CE2-CH2 4.24Å; Y129-W162 HydrophobicContact CG-CH2 4.01Å; Y129-W162 AromaticContact CG-CZ3 3.69Å; Y129-W162 HydrophobicContact CG-CZ3 3.69Å; L144-W162 HydrophobicContact CD2-CH2 3.72Å; L144-W162 HydrophobicContact CD2-CZ2 3.98Å; C154-W162 PolarHBondContact SG-NE1 3.18Å; Y159-W162 WeakPolarHBondContact O-CB 3.47Å; Y159-W162 VanDerWaalsContact O-CD1 3.29Å; Y159-W162 PolarHBondContact O-N 3.31Å; Y159-W162 VanDerWaalsContact O-N 3.16Å; T160-W162 PolarHBondContact O-N 3.39Å; T160-W162 VanDerWaalsContact O-N 3.12Å; W162-K164 PolarHBondContact O-N 3.48Å; W162-N165 WeakPolarHBondContact O-CB 3.36Å; W162-N165 PolarHBondContact O-N 3Å; W162-K168 VanDerWaalsContact C-NZ 3.3Å; W162-K168 WeakPolarHBondContact O-CD 3.48Å; W162-K168 WeakPolarHBondContact O-CE 3.41Å; W162-K168 PolarHBondContact O-NZ 2.9Å; W162-V174 HydrophobicContact CB-CG1 4.29Å; W162-V174 HydrophobicContact CG-CG1 4.41Å; W162-P175 HydrophobicContact CD2-CG 3.58Å; W162-P175 VanDerWaalsContact CE2-CG 3.43Å; W162-P175 VanDerWaalsContact CE3-CD 3.5Å; W162-P175 HydrophobicContact CE3-CG 3.53Å; W162-P175 HydrophobicContact CG-CG 4.49Å; W162-P175 HydrophobicContact CH2-CG 3.26Å; W162-P175 HydrophobicContact CZ2-CG 3.33Å; W162-P175 HydrophobicContact CZ3-CG 3.35Å; W162-F187 HydrophobicContact CE3-CE1 4.44Å |
| 163 | I | 89.9 | Confident | 89.7 | Confident | 107 Ų | 107 | 57.8 Ų | 57.8 | 55% | 0.549 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -61.4 | -30.2 | 177.6 | -62.8 | 169.7 | 0 | 0 | 0 | 111.1 | T160 D161 N165 | T160-I163 HydrophobicContact CG2-CD1 4.26Å; T160-I163 VanDerWaalsContact O-CB 3.27Å; T160-I163 WeakPolarHBondContact O-CB 3.41Å; T160-I163 VanDerWaalsContact O-CG1 3.25Å; T160-I163 WeakPolarHBondContact O-CG1 3.25Å; T160-I163 PolarHBondContact O-N 3.14Å; D161-I163 PolarHBondContact O-N 2.67Å; I163-N165 VanDerWaalsContact C-N 3.29Å; I163-N165 PolarHBondContact O-N 3.41Å |
| 164 | K | 86.8 | Confident | 89.5 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -73.7 | -16.6 | -179.4 | 78.5 | -153.7 | 169.9 | -169.8 | 0 | 114.1 | D123 I126 D161 W162 K166 | D123-K164 WeakPolarHBondContact OD1-CD 3.11Å; D123-K164 WeakPolarHBondContact OD1-CE 3.46Å; D123-K164 IonicContact OD1-NZ 3.64Å; D123-K164 PolarHBondContact OD1-NZ 2.85Å; I126-K164 HydrophobicContact CG2-CG 4.43Å; D161-K164 WeakPolarHBondContact O-CD 3.18Å; D161-K164 WeakPolarHBondContact O-CE 3.14Å; D161-K164 WeakPolarHBondContact O-CG 3.18Å; D161-K164 PolarHBondContact O-N 2.98Å; W162-K164 PolarHBondContact O-N 3.48Å; K164-K166 PolarHBondContact O-N 3.33Å |
| 165 | N | 92 | Very high | 89.4 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.032 | 31% | 0.306 | C | S | . | . | trans | -73.8 | 125.9 | 178.8 | -178.4 | -48.8 | 0 | 0 | 0 | 110.4 | I126 Y129 W162 I163 N167 K168 | I126-N165 PolarHBondContact O-ND2 3.06Å; Y129-N165 WeakPolarHBondContact CB-ND2 3.28Å; Y129-N165 PolarHBondContact O-ND2 2.97Å; W162-N165 WeakPolarHBondContact O-CB 3.36Å; W162-N165 PolarHBondContact O-N 3Å; I163-N165 VanDerWaalsContact C-N 3.29Å; I163-N165 PolarHBondContact O-N 3.41Å; N165-N167 WeakPolarHBondContact OD1-CA 3.5Å; N165-N167 WeakPolarHBondContact OD1-CB 3.27Å; N165-N167 PolarHBondContact OD1-N 3.4Å; N165-K168 HydrophobicContact CB-CD 4.22Å; N165-K168 HydrophobicContact CB-CG 4.12Å | ||
| 166 | K | 89.4 | Confident | 89.2 | Confident | 192 Ų | 192 | 58.5 Ų | 58.5 | 84% | 0.835 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -90.7 | -11.6 | -176.3 | -62.6 | 177.5 | -176.8 | 171.9 | 0 | 114.3 | K164 K168 | K164-K166 PolarHBondContact O-N 3.33Å; K166-K168 VanDerWaalsContact C-N 3.26Å; K166-K168 PolarHBondContact O-N 3.26Å |
| 167 | N | 88.9 | Confident | 88.9 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -84.1 | -2.8 | -177.8 | -56.5 | -40 | 0 | 0 | 0 | 112.8 | E128 Y129 S131 N165 F187 | E128-N167 PolarHBondContact O-ND2 3.08Å; Y129-N167 PolarHBondContact O-ND2 3.47Å; S131-N167 PolarHBondContact N-ND2 2.82Å; N165-N167 WeakPolarHBondContact OD1-CA 3.5Å; N165-N167 WeakPolarHBondContact OD1-CB 3.27Å; N165-N167 PolarHBondContact OD1-N 3.4Å; N167-F187 HydrophobicContact CB-CE2 4.49Å |
| 168 | K | 86.8 | Confident | 88.7 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 10% | 0.1 | 29% | 0.287 | C | S | . | . | trans | -77.5 | 147.1 | 176.1 | -51.3 | -167.6 | -53 | 176.4 | 0 | 110.7 | W162 N165 K166 S171 Q173 F187 | W162-K168 VanDerWaalsContact C-NZ 3.3Å; W162-K168 WeakPolarHBondContact O-CD 3.48Å; W162-K168 WeakPolarHBondContact O-CE 3.41Å; W162-K168 PolarHBondContact O-NZ 2.9Å; N165-K168 HydrophobicContact CB-CD 4.22Å; N165-K168 HydrophobicContact CB-CG 4.12Å; K166-K168 VanDerWaalsContact C-N 3.26Å; K166-K168 PolarHBondContact O-N 3.26Å; K168-S171 PolarHBondContact NZ-O 2.82Å; K168-Q173 HydrophobicContact CB-CB 4.32Å; K168-Q173 HydrophobicContact CD-CB 4.15Å; K168-Q173 VanDerWaalsContact CD-O 3.25Å; K168-Q173 WeakPolarHBondContact CD-O 3.34Å; K168-Q173 PolarHBondContact NZ-O 3.26Å; K168-F187 HydrophobicContact CD-CD1 4.19Å; K168-F187 HydrophobicContact CD-CE1 3.91Å; K168-F187 HydrophobicContact CG-CD1 4.01Å; K168-F187 HydrophobicContact CG-CE1 3.59Å; K168-F187 HydrophobicContact CG-CE2 4.27Å; K168-F187 HydrophobicContact CG-CZ 3.71Å | ||
| 169 | E | 84.4 | Confident | 88.5 | Confident | 164 Ų | 164 | 51 Ų | 51 | 77% | 0.766 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -74 | -36.3 | 174 | -62.2 | -179.6 | 165.8 | 0 | 0 | 111 | ||
| 170 | N | 83.1 | Confident | 88.2 | Confident | 94 Ų | 94 | 54.8 Ų | 54.8 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -133.4 | 151.9 | -179.3 | -63.4 | -49.7 | 0 | 0 | 0 | 111.8 | G172 Q173 | N170-G172 PolarHBondContact O-N 2.87Å; N170-Q173 HydrophobicContact CB-CG 4.33Å; N170-Q173 PolarHBondContact O-N 3.39Å |
| 171 | S | 78.7 | Confident | 87.4 | Confident | 100 Ų | 100 | 52.5 Ų | 52.5 | 70% | 0.699 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -29.3 | 179.3 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | K168 Q173 | K168-S171 PolarHBondContact NZ-O 2.82Å; S171-Q173 VanDerWaalsContact C-N 3.33Å |
| 172 | G | 81.4 | Confident | 86.4 | Confident | 57 Ų | 57 | 57.5 Ų | 57.5 | 59% | 0.588 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -11.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | N170 | N170-G172 PolarHBondContact O-N 2.87Š|
| 173 | Q | 88.8 | Confident | 85.6 | Confident | 9 Ų | 9 | 62 Ų | 62 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | trans | -70.1 | 140.6 | 179.1 | -76.9 | 178.5 | -21.1 | 0 | 0 | 111.4 | K168 N170 S171 F187 D189 | K168-Q173 HydrophobicContact CB-CB 4.32Å; K168-Q173 HydrophobicContact CD-CB 4.15Å; K168-Q173 VanDerWaalsContact CD-O 3.25Å; K168-Q173 WeakPolarHBondContact CD-O 3.34Å; K168-Q173 PolarHBondContact NZ-O 3.26Å; N170-Q173 HydrophobicContact CB-CG 4.33Å; N170-Q173 PolarHBondContact O-N 3.39Å; S171-Q173 VanDerWaalsContact C-N 3.33Å; Q173-F187 HydrophobicContact CB-CB 4.24Å; Q173-D189 VanDerWaalsContact CG-CG 3.45Å; Q173-D189 WeakPolarHBondContact CG-OD1 3.26Å; Q173-D189 WeakPolarHBondContact CG-OD2 3.5Å; Q173-D189 PolarHBondContact NE2-OD2 2.95Å | ||
| 174 | V | 91.3 | Very high | 84.6 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 163 | 168.1 | -65.5 | 0 | 0 | 0 | 0 | 108.5 | W162 C176 C178 T179 F187 C188 T195 | W162-V174 HydrophobicContact CB-CG1 4.29Å; W162-V174 HydrophobicContact CG-CG1 4.41Å; V174-C176 PolarHBondContact O-N 2.87Å; V174-C178 HydrophobicContact CB-CB 4.17Å; V174-C178 HydrophobicContact CG2-CB 3.98Å; V174-T179 HydrophobicContact CG2-CG2 3.86Å; V174-F187 WeakPolarHBondContact O-CA 3.43Å; V174-C188 PolarHBondContact N-O 3.48Å; V174-C188 PolarHBondContact O-N 3.26Å; V174-T195 HydrophobicContact CG2-CG2 4.12Å |
| 175 | P | 91.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 142.5 | 170.9 | -29 | 35.9 | 0 | 0 | 0 | 112 | Y129 W162 S177 C178 W186 | Y129-P175 HydrophobicContact CE1-CB 4.3Å; Y129-P175 HydrophobicContact CE1-CG 4.08Å; W162-P175 HydrophobicContact CD2-CG 3.58Å; W162-P175 VanDerWaalsContact CE2-CG 3.43Å; W162-P175 VanDerWaalsContact CE3-CD 3.5Å; W162-P175 HydrophobicContact CE3-CG 3.53Å; W162-P175 HydrophobicContact CG-CG 4.49Å; W162-P175 HydrophobicContact CH2-CG 3.26Å; W162-P175 HydrophobicContact CZ2-CG 3.33Å; W162-P175 HydrophobicContact CZ3-CG 3.35Å; P175-S177 VanDerWaalsContact CB-OG 3.25Å; P175-S177 WeakPolarHBondContact CB-OG 3.3Å; P175-S177 PolarHBondContact O-N 2.57Å; P175-S177 VanDerWaalsContact O-N 3.1Å; P175-C178 VanDerWaalsContact O-CB 3.26Å; P175-C178 WeakPolarHBondContact O-CB 3.43Å; P175-C178 PolarHBondContact O-N 3.27Å; P175-W186 VanDerWaalsContact CA-O 3.26Å; P175-W186 WeakPolarHBondContact CA-O 3.46Å |
| 176 | C | 89.1 | Confident | 83.9 | Confident | 7 Ų | 7 | 69.6 Ų | 69.6 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -59.1 | -26.2 | 175.5 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | V174 C178 T179 K185 W186 F187 C188 | V174-C176 PolarHBondContact O-N 2.87Å; C176-C178 PolarHBondContact O-N 3.28Å; C176-T179 PolarHBondContact O-N 3.48Å; C176-T179 VanDerWaalsContact O-N 3.12Å; C176-T179 PolarHBondContact O-OG1 2.76Å; C176-K185 WeakPolarHBondContact CB-O 3.4Å; C176-K185 PolarHBondContact SG-O 2.86Å; C176-W186 PolarHBondContact N-O 2.88Å; C176-F187 PolarHBondContact SG-O 3.38Å; C176-F187 VanDerWaalsContact SG-O 3.42Å; C176-C188 VanDerWaalsContact CA-SG 3.59Å; C176-C188 HydrophobicContact CB-CB 3.97Å; C176-C188 WeakPolarHBondContact CB-SG 3.37Å; C176-C188 WeakPolarHBondContact SG-CB 3.23Å; C176-C188 PolarHBondContact SG-N 3.27Å; C176-C188 VanDerWaalsContact SG-N 3.43Å; C176-C188 CovalentContact SG-SG 2.02Å; C176-C188 PolarHBondContact SG-SG 3.49Å |
| 177 | S | 88.8 | Confident | 83.9 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -63.2 | -21.7 | 172.5 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | N145 Q148 P175 T179 | N145-S177 WeakPolarHBondContact O-CB 3.43Å; N145-S177 WeakPolarHBondContact OD1-CB 3.49Å; N145-S177 PolarHBondContact OD1-OG 3.5Å; Q148-S177 PolarHBondContact OE1-OG 3.31Å; P175-S177 VanDerWaalsContact CB-OG 3.25Å; P175-S177 WeakPolarHBondContact CB-OG 3.3Å; P175-S177 PolarHBondContact O-N 2.57Å; P175-S177 VanDerWaalsContact O-N 3.1Å; S177-T179 PolarHBondContact O-N 2.9Å |
| 178 | C | 91.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -77.3 | -3.5 | 173.2 | -74.9 | 0 | 0 | 0 | 0 | 114 | Q148 C154 V174 P175 C176 T195 Y196 | Q148-C178 PolarHBondContact NE2-SG 2.99Å; C154-C178 VanDerWaalsContact CA-SG 3.55Å; C154-C178 HydrophobicContact CB-CB 3.65Å; C154-C178 WeakPolarHBondContact CB-SG 3.47Å; C154-C178 WeakPolarHBondContact SG-CB 3.32Å; C154-C178 CovalentContact SG-SG 2.03Å; C154-C178 PolarHBondContact SG-SG 2.87Å; V174-C178 HydrophobicContact CB-CB 4.17Å; V174-C178 HydrophobicContact CG2-CB 3.98Å; P175-C178 VanDerWaalsContact O-CB 3.26Å; P175-C178 WeakPolarHBondContact O-CB 3.43Å; P175-C178 PolarHBondContact O-N 3.27Å; C176-C178 PolarHBondContact O-N 3.28Å; C178-T195 HydrophobicContact CB-CG2 4.41Å; C178-Y196 WeakPolarHBondContact O-CD2 3.47Å; C178-Y196 PolarHBondContact O-N 2.86Å |
| 179 | T | 89.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -126.6 | 169 | -169.3 | 70.4 | 0 | 0 | 0 | 0 | 110.3 | V174 C176 S177 S181 E190 A194 | V174-T179 HydrophobicContact CG2-CG2 3.86Å; C176-T179 PolarHBondContact O-N 3.48Å; C176-T179 VanDerWaalsContact O-N 3.12Å; C176-T179 PolarHBondContact O-OG1 2.76Å; S177-T179 PolarHBondContact O-N 2.9Å; T179-S181 PolarHBondContact O-N 3.49Å; T179-S181 WeakPolarHBondContact OG1-CB 3.49Å; T179-S181 PolarHBondContact OG1-N 3.22Å; T179-E190 HydrophobicContact CG2-CB 4Å; T179-E190 HydrophobicContact CG2-CG 4.24Å; T179-A194 WeakPolarHBondContact CA-O 3.43Å |
| 180 | K | 83.1 | Confident | 83.5 | Confident | 154 Ų | 154 | 57.6 Ų | 57.6 | 67% | 0.67 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -76 | 3.2 | 170.4 | -65.9 | 179.6 | -177.5 | 172.8 | 0 | 112.8 | A194 Y196 | K180-A194 PolarHBondContact N-O 3.48Å; K180-Y196 HydrophobicContact CG-CE1 4.4Å |
| 181 | S | 75.9 | Confident | 83.3 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | trans | -61.3 | 147.9 | -178.2 | -145 | 0 | 0 | 0 | 0 | 113.1 | T179 L183 E190 | T179-S181 PolarHBondContact O-N 3.49Å; T179-S181 WeakPolarHBondContact OG1-CB 3.49Å; T179-S181 PolarHBondContact OG1-N 3.22Å; S181-L183 WeakPolarHBondContact OG-CG 3.28Å; S181-E190 WeakPolarHBondContact CB-OE1 3.46Å; S181-E190 PolarHBondContact OG-OE1 2.73Å | ||
| 182 | T | 72.3 | Confident | 83.3 | Confident | 131 Ų | 131 | 57.4 Ų | 57.4 | 80% | 0.804 | 30% | 0.3 | S | S | * | . | trans | -104.6 | 4.7 | 170 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 183 | L | 75.4 | Confident | 83.3 | Confident | 94 Ų | 94 | 62.4 Ų | 62.4 | 49% | 0.492 | 31% | 0.313 | S | S | . | . | trans | -62.4 | 140.2 | 176.3 | -70.7 | 173.5 | 0 | 0 | 0 | 111.3 | S181 K185 | S181-L183 WeakPolarHBondContact OG-CG 3.28Å; L183-K185 PolarHBondContact O-N 3.44Å | ||
| 184 | R | 69.3 | Low | 83 | Confident | 123 Ų | 123 | 63 Ų | 63 | 46% | 0.464 | 32% | 0.319 | S | S | . | . | trans | -98.1 | 71.6 | 175 | -67.7 | -175.2 | -171.4 | 161.8 | 11 | 111 | A45 F46 E48 | A45-R184 PolarHBondContact O-NH1 2.92Å; A45-R184 PolarHBondContact O-NH2 3.48Å; F46-R184 VanDerWaalsContact CE1-NH2 3.29Å; E48-R184 WeakPolarHBondContact OE1-CA 3.32Å; E48-R184 WeakPolarHBondContact OE2-CA 3.37Å | ||
| 185 | K | 80.8 | Confident | 82.9 | Confident | 133 Ų | 133 | 63.4 Ų | 63.4 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -134.9 | 153.2 | 174 | -66 | -176.1 | 178.4 | -176.5 | 0 | 107.9 | E48 C176 L183 F187 | E48-K185 VanDerWaalsContact OE1-C 3.32Å; E48-K185 WeakPolarHBondContact OE1-CA 3.37Å; E48-K185 PolarHBondContact OE1-N 2.73Å; C176-K185 WeakPolarHBondContact CB-O 3.4Å; C176-K185 PolarHBondContact SG-O 2.86Å; L183-K185 PolarHBondContact O-N 3.44Å; K185-F187 VanDerWaalsContact C-N 3.31Å; K185-F187 WeakPolarHBondContact CB-O 3.29Å; K185-F187 PolarHBondContact O-N 2.92Å |
| 186 | W | 82.9 | Confident | 82.9 | Confident | 88 Ų | 88 | 65 Ų | 65 | 33% | 0.333 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -60.7 | -42.9 | 170.7 | -71.7 | 103.7 | 0 | 0 | 0 | 111.5 | Y129 I138 W141 P175 C176 | Y129-W186 HydrophobicContact CD1-CE3 4.47Å; Y129-W186 HydrophobicContact CE1-CB 4.19Å; Y129-W186 AromaticContact CE1-CE3 3.68Å; Y129-W186 HydrophobicContact CE1-CE3 3.68Å; Y129-W186 HydrophobicContact CE1-CZ3 4.47Å; Y129-W186 HydrophobicContact CE2-CE3 4.08Å; Y129-W186 HydrophobicContact CE2-CZ3 4.08Å; Y129-W186 AromaticContact CZ-CE3 3.45Å; Y129-W186 VanDerWaalsContact CZ-CE3 3.45Å; Y129-W186 AromaticContact CZ-CZ3 3.92Å; Y129-W186 PolarHBondContact OH-O 3.25Å; I138-W186 HydrophobicContact CG2-CH2 4.22Å; I138-W186 HydrophobicContact CG2-CZ2 4.4Å; W141-W186 HydrophobicContact CB-CH2 4.05Å; W141-W186 HydrophobicContact CB-CZ3 3.59Å; W141-W186 HydrophobicContact CD2-CZ3 4.44Å; W141-W186 HydrophobicContact CE3-CE3 4.46Å; W141-W186 AromaticContact CE3-CH2 3.73Å; W141-W186 HydrophobicContact CE3-CH2 3.73Å; W141-W186 HydrophobicContact CE3-CZ2 4.21Å; W141-W186 AromaticContact CE3-CZ3 3.88Å; W141-W186 HydrophobicContact CE3-CZ3 3.88Å; W141-W186 HydrophobicContact CG-CZ3 4.38Å; P175-W186 VanDerWaalsContact CA-O 3.26Å; P175-W186 WeakPolarHBondContact CA-O 3.46Å; C176-W186 PolarHBondContact N-O 2.88Å |
| 187 | F | 89.7 | Confident | 83 | Confident | 27 Ų | 27 | 68.5 Ų | 68.5 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.5 | -179 | -62.1 | -72 | 0 | 0 | 0 | 112.1 | Y129 W162 N167 K168 Q173 V174 C176 K185 | Y129-F187 AromaticContact CD1-CE1 3.66Å; Y129-F187 HydrophobicContact CD1-CE1 3.66Å; Y129-F187 HydrophobicContact CD1-CE2 4.24Å; Y129-F187 AromaticContact CD1-CZ 3.47Å; Y129-F187 HydrophobicContact CD1-CZ 3.47Å; Y129-F187 VanDerWaalsContact CD1-CZ 3.47Å; Y129-F187 HydrophobicContact CE1-CD1 4.36Å; Y129-F187 AromaticContact CE1-CE1 3.83Å; Y129-F187 HydrophobicContact CE1-CE1 3.83Å; Y129-F187 HydrophobicContact CE1-CE2 4.46Å; Y129-F187 AromaticContact CE1-CZ 3.92Å; Y129-F187 HydrophobicContact CE1-CZ 3.92Å; W162-F187 HydrophobicContact CE3-CE1 4.44Å; N167-F187 HydrophobicContact CB-CE2 4.49Å; K168-F187 HydrophobicContact CD-CD1 4.19Å; K168-F187 HydrophobicContact CD-CE1 3.91Å; K168-F187 HydrophobicContact CG-CD1 4.01Å; K168-F187 HydrophobicContact CG-CE1 3.59Å; K168-F187 HydrophobicContact CG-CE2 4.27Å; K168-F187 HydrophobicContact CG-CZ 3.71Å; Q173-F187 HydrophobicContact CB-CB 4.24Å; V174-F187 WeakPolarHBondContact O-CA 3.43Å; C176-F187 PolarHBondContact SG-O 3.38Å; C176-F187 VanDerWaalsContact SG-O 3.42Å; K185-F187 VanDerWaalsContact C-N 3.31Å; K185-F187 WeakPolarHBondContact CB-O 3.29Å; K185-F187 PolarHBondContact O-N 2.92Å |
| 188 | C | 87.5 | Confident | 83.2 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.034 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143 | 177.9 | -84.1 | 0 | 0 | 0 | 0 | 110.8 | V174 C176 E190 | V174-C188 PolarHBondContact N-O 3.48Å; V174-C188 PolarHBondContact O-N 3.26Å; C176-C188 VanDerWaalsContact CA-SG 3.59Å; C176-C188 HydrophobicContact CB-CB 3.97Å; C176-C188 WeakPolarHBondContact CB-SG 3.37Å; C176-C188 WeakPolarHBondContact SG-CB 3.23Å; C176-C188 PolarHBondContact SG-N 3.27Å; C176-C188 VanDerWaalsContact SG-N 3.43Å; C176-C188 CovalentContact SG-SG 2.02Å; C176-C188 PolarHBondContact SG-SG 3.49Å; C188-E190 HydrophobicContact CB-CG 4.36Å |
| 189 | D | 85 | Confident | 83.4 | Confident | 101 Ų | 101 | 71.4 Ų | 71.4 | 54% | 0.54 | 36% | 0.359 | S | S | . | . | trans | -101.4 | 87.1 | 167.8 | -76.2 | -57 | 0 | 0 | 0 | 108.4 | Q173 | Q173-D189 VanDerWaalsContact CG-CG 3.45Å; Q173-D189 WeakPolarHBondContact CG-OD1 3.26Å; Q173-D189 WeakPolarHBondContact CG-OD2 3.5Å; Q173-D189 PolarHBondContact NE2-OD2 2.95Å | ||
| 190 | E | 78.9 | Confident | 83.6 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | trans | -112.5 | 149.6 | 175.9 | -72 | -145.2 | 170.4 | 0 | 0 | 111.9 | T179 S181 C188 A194 | T179-E190 HydrophobicContact CG2-CB 4Å; T179-E190 HydrophobicContact CG2-CG 4.24Å; S181-E190 WeakPolarHBondContact CB-OE1 3.46Å; S181-E190 PolarHBondContact OG-OE1 2.73Å; C188-E190 HydrophobicContact CB-CG 4.36Å; E190-A194 HydrophobicContact CB-CB 4.37Å; E190-A194 WeakPolarHBondContact OE2-CB 3.34Å | ||
| 191 | P | 78.9 | Confident | 84.2 | Confident | 92 Ų | 92 | 67 Ų | 67 | 60% | 0.597 | 34% | 0.341 | S | S | * | . | trans | -61.5 | 152.3 | 175.5 | 26.2 | -34.3 | 0 | 0 | 0 | 111.2 | N193 A194 T195 | P191-N193 PolarHBondContact O-N 3.25Å; P191-A194 HydrophobicContact CG-CB 4.32Å; P191-A194 PolarHBondContact O-N 3.07Å; P191-T195 PolarHBondContact O-OG1 3.32Å | ||
| 192 | L | 78.2 | Confident | 85 | Confident | 99 Ų | 99 | 70.5 Ų | 70.5 | 52% | 0.518 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -52.1 | -35 | -177.7 | -121.6 | 96.1 | 0 | 0 | 0 | 113.2 | A194 T195 L197 | L192-A194 PolarHBondContact O-N 2.89Å; L192-T195 PolarHBondContact O-N 2.92Å; L192-T195 VanDerWaalsContact O-N 3.13Å; L192-L197 HydrophobicContact CD2-CD2 4.07Å; L192-L197 HydrophobicContact CG-CD2 4.25Å |
| 193 | N | 80.9 | Confident | 86 | Confident | 162 Ų | 162 | 67.5 Ų | 67.5 | 87% | 0.866 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -64.7 | -20.2 | -179.8 | -66 | -9.4 | 0 | 0 | 0 | 114 | P191 | P191-N193 PolarHBondContact O-N 3.25Š|
| 194 | A | 82.9 | Confident | 86.8 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -101.4 | -3.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T179 K180 E190 P191 L192 | T179-A194 WeakPolarHBondContact CA-O 3.43Å; K180-A194 PolarHBondContact N-O 3.48Å; E190-A194 HydrophobicContact CB-CB 4.37Å; E190-A194 WeakPolarHBondContact OE2-CB 3.34Å; P191-A194 HydrophobicContact CG-CB 4.32Å; P191-A194 PolarHBondContact O-N 3.07Å; L192-A194 PolarHBondContact O-N 2.89Å |
| 195 | T | 89.1 | Confident | 87.9 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -98.5 | 138.7 | -179.3 | -57.4 | 0 | 0 | 0 | 0 | 111 | V174 C178 P191 L192 L197 | V174-T195 HydrophobicContact CG2-CG2 4.12Å; C178-T195 HydrophobicContact CB-CG2 4.41Å; P191-T195 PolarHBondContact O-OG1 3.32Å; L192-T195 PolarHBondContact O-N 2.92Å; L192-T195 VanDerWaalsContact O-N 3.13Å; T195-L197 PolarHBondContact O-N 3.46Å |
| 196 | Y | 91.9 | Very high | 88.5 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 13% | 0.129 | 32% | 0.318 | C | S | . | . | trans | -71.1 | 120.8 | 170.7 | -54.6 | -49.3 | 0 | 0 | 0 | 109.6 | Q152 C154 C178 K180 | Q152-Y196 HydrophobicContact CB-CD1 3.97Å; Q152-Y196 HydrophobicContact CB-CD2 4.46Å; Q152-Y196 HydrophobicContact CB-CE1 3.77Å; Q152-Y196 HydrophobicContact CB-CE2 4.3Å; Q152-Y196 HydrophobicContact CB-CG 4.33Å; Q152-Y196 HydrophobicContact CG-CE1 4.08Å; C154-Y196 WeakPolarHBondContact CB-O 3.37Å; C178-Y196 WeakPolarHBondContact O-CD2 3.47Å; C178-Y196 PolarHBondContact O-N 2.86Å; K180-Y196 HydrophobicContact CG-CE1 4.4Å | ||
| 197 | L | 91.1 | Very high | 88.9 | Confident | 81 Ų | 81 | 62.6 Ų | 62.6 | 42% | 0.424 | 33% | 0.327 | S | S | . | . | trans | -91.9 | -19.2 | -174.9 | -56.3 | 178.9 | 0 | 0 | 0 | 113.3 | N158 Y159 L192 T195 | N158-L197 VanDerWaalsContact CG-O 3.25Å; N158-L197 PolarHBondContact ND2-O 3.04Å; N158-L197 PolarHBondContact OD1-O 3.3Å; Y159-L197 HydrophobicContact CD1-CD2 3.68Å; Y159-L197 HydrophobicContact CE1-CD2 3.89Å; Y159-L197 HydrophobicContact CG-CD2 4.5Å; L192-L197 HydrophobicContact CD2-CD2 4.07Å; L192-L197 HydrophobicContact CG-CD2 4.25Å; T195-L197 PolarHBondContact O-N 3.46Å | ||
| 198 | E | 93.2 | Very high | 88.9 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 33% | 0.327 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -85.7 | 137.8 | -176.4 | -161.6 | 178.9 | 168.6 | 0 | 0 | 110.9 | C153 C154 N202 K203 | C153-E198 CarbonylContact C-O 3.07Å; C153-E198 VanDerWaalsContact CA-O 3.25Å; C153-E198 WeakPolarHBondContact CA-O 3.02Å; C153-E198 VanDerWaalsContact CB-O 3.3Å; C153-E198 WeakPolarHBondContact CB-O 3.5Å; C154-E198 PolarHBondContact N-O 3.33Å; E198-N202 PolarHBondContact OE1-ND2 2.96Å; E198-K203 IonicContact OE1-NZ 3.99Å; E198-K203 WeakPolarHBondContact OE2-CE 3.25Å; E198-K203 IonicContact OE2-NZ 2.67Å; E198-K203 PolarHBondContact OE2-NZ 2.9Å |
| 199 | G | 94.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | trans | -67.6 | 147.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q156 H157 E201 N202 | Q156-G199 CarbonylContact O-C 3.39Å; Q156-G199 WeakPolarHBondContact O-CA 3.48Å; H157-G199 WeakPolarHBondContact O-CA 3.31Å; H157-G199 PolarHBondContact O-N 2.96Å; G199-E201 VanDerWaalsContact C-N 3.3Å; G199-E201 PolarHBondContact O-N 3.01Å; G199-N202 PolarHBondContact O-N 3.45Å | ||
| 200 | C | 95.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.034 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.4 | -28.8 | -179.9 | -67.2 | 0 | 0 | 0 | 0 | 113.4 | L147 C153 G155 Q156 N202 K203 I204 | L147-C200 HydrophobicContact CD2-CB 3.58Å; L147-C200 VanDerWaalsContact CD2-SG 3.52Å; C153-C200 HydrophobicContact CB-CB 3.9Å; C153-C200 WeakPolarHBondContact CB-SG 3.31Å; C153-C200 WeakPolarHBondContact SG-CA 3.47Å; C153-C200 WeakPolarHBondContact SG-CB 3.32Å; C153-C200 CovalentContact SG-SG 2.04Å; C153-C200 PolarHBondContact SG-SG 2.65Å; G155-C200 VanDerWaalsContact O-CB 3.32Å; G155-C200 WeakPolarHBondContact O-CB 3.02Å; G155-C200 PolarHBondContact O-N 3Å; G155-C200 PolarHBondContact O-SG 3.28Å; G155-C200 VanDerWaalsContact O-SG 3.39Å; Q156-C200 PolarHBondContact O-N 2.88Å; Q156-C200 VanDerWaalsContact O-N 3.12Å; C200-N202 VanDerWaalsContact C-N 3.33Å; C200-N202 PolarHBondContact O-N 3.36Å; C200-K203 PolarHBondContact O-N 3.33Å; C200-I204 WeakPolarHBondContact O-CB 3.32Å; C200-I204 WeakPolarHBondContact O-CD1 3.25Å; C200-I204 WeakPolarHBondContact O-CG1 3.43Å; C200-I204 PolarHBondContact O-N 3.01Å |
| 201 | E | 93.9 | Very high | 90.3 | Very high | 55 Ų | 55 | 71.6 Ų | 71.6 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 176.4 | 178.9 | 171.3 | 179.2 | 0 | 0 | 112 | H119 Q156 H157 G199 K203 I204 S205 | H119-E201 IonicContact CD2-OE2 3.39Å; H119-E201 IonicContact CE1-OE1 3.66Å; H119-E201 PolarHBondContact CE1-OE1 3.26Å; H119-E201 IonicContact CE1-OE2 2.72Å; H119-E201 IonicContact NE2-OE1 3.52Å; H119-E201 PolarHBondContact NE2-OE1 3.03Å; H119-E201 IonicContact NE2-OE2 2.78Å; H119-E201 PolarHBondContact NE2-OE2 3.33Å; Q156-E201 VanDerWaalsContact O-CB 3.29Å; Q156-E201 WeakPolarHBondContact O-CB 3.28Å; Q156-E201 PolarHBondContact O-N 3.09Å; H157-E201 IonicContact CD2-OE2 2.95Å; H157-E201 IonicContact NE2-OE2 2.87Å; H157-E201 PolarHBondContact NE2-OE2 3.29Å; G199-E201 VanDerWaalsContact C-N 3.3Å; G199-E201 PolarHBondContact O-N 3.01Å; E201-K203 PolarHBondContact O-N 2.78Å; E201-I204 PolarHBondContact O-N 3.49Å; E201-S205 VanDerWaalsContact O-CB 3.26Å; E201-S205 WeakPolarHBondContact O-CB 3.44Å; E201-S205 PolarHBondContact O-N 2.88Å |
| 202 | N | 93.7 | Very high | 90.9 | Very high | 87 Ų | 87 | 68.2 Ų | 68.2 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 179.4 | -167.5 | 54.2 | 0 | 0 | 0 | 111.6 | E198 G199 C200 S205 T206 | E198-N202 PolarHBondContact OE1-ND2 2.96Å; G199-N202 PolarHBondContact O-N 3.45Å; C200-N202 VanDerWaalsContact C-N 3.33Å; C200-N202 PolarHBondContact O-N 3.36Å; N202-S205 PolarHBondContact O-N 3.4Å; N202-T206 VanDerWaalsContact O-CB 3.31Å; N202-T206 WeakPolarHBondContact O-CB 3.18Å; N202-T206 PolarHBondContact O-N 3.31Å; N202-T206 PolarHBondContact O-OG1 2.97Å |
| 203 | K | 93.8 | Very high | 91.6 | Very high | 68 Ų | 68 | 70.6 Ų | 70.6 | 30% | 0.296 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 174.5 | -71.2 | -56.8 | -158 | -161.5 | 0 | 111.9 | L151 C153 E198 C200 E201 T206 W207 | L151-K203 HydrophobicContact CB-CB 4.26Å; L151-K203 HydrophobicContact CD1-CB 4.4Å; L151-K203 WeakPolarHBondContact O-CE 3.33Å; C153-K203 HydrophobicContact CB-CG 3.84Å; E198-K203 IonicContact OE1-NZ 3.99Å; E198-K203 WeakPolarHBondContact OE2-CE 3.25Å; E198-K203 IonicContact OE2-NZ 2.67Å; E198-K203 PolarHBondContact OE2-NZ 2.9Å; C200-K203 PolarHBondContact O-N 3.33Å; E201-K203 PolarHBondContact O-N 2.78Å; K203-T206 PolarHBondContact O-N 3.41Å; K203-W207 WeakPolarHBondContact O-CB 3.45Å; K203-W207 PolarHBondContact O-N 3.29Å |
| 204 | I | 92.4 | Very high | 92.3 | Very high | 70 Ų | 70 | 67 Ų | 67 | 36% | 0.359 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 179.7 | -67.3 | 164.1 | 0 | 0 | 0 | 110.2 | L147 L151 C200 E201 T206 W207 Y208 | L147-I204 HydrophobicContact CD1-CD1 4.07Å; L147-I204 HydrophobicContact CD2-CD1 4.28Å; L151-I204 HydrophobicContact CD1-CD1 4.37Å; L151-I204 HydrophobicContact CD1-CG1 3.55Å; C200-I204 WeakPolarHBondContact O-CB 3.32Å; C200-I204 WeakPolarHBondContact O-CD1 3.25Å; C200-I204 WeakPolarHBondContact O-CG1 3.43Å; C200-I204 PolarHBondContact O-N 3.01Å; E201-I204 PolarHBondContact O-N 3.49Å; I204-T206 PolarHBondContact O-N 3.44Å; I204-W207 PolarHBondContact O-N 2.72Å; I204-Y208 WeakPolarHBondContact O-CB 3.34Å; I204-Y208 PolarHBondContact O-N 2.59Å |
| 205 | S | 91.3 | Very high | 92.7 | Very high | 54 Ų | 54 | 69.1 Ų | 69.1 | 38% | 0.378 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | E201 N202 Y208 N209 | E201-S205 VanDerWaalsContact O-CB 3.26Å; E201-S205 WeakPolarHBondContact O-CB 3.44Å; E201-S205 PolarHBondContact O-N 2.88Å; N202-S205 PolarHBondContact O-N 3.4Å; S205-Y208 PolarHBondContact O-N 3.4Å; S205-N209 WeakPolarHBondContact O-CB 3.26Å; S205-N209 PolarHBondContact O-N 3.28Å; S205-N209 PolarHBondContact O-ND2 3.45Å |
| 206 | T | 93.6 | Very high | 92.9 | Very high | 72 Ų | 72 | 73.4 Ų | 73.4 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 176.5 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | N202 K203 I204 Y208 N209 V210 | N202-T206 VanDerWaalsContact O-CB 3.31Å; N202-T206 WeakPolarHBondContact O-CB 3.18Å; N202-T206 PolarHBondContact O-N 3.31Å; N202-T206 PolarHBondContact O-OG1 2.97Å; K203-T206 PolarHBondContact O-N 3.41Å; I204-T206 PolarHBondContact O-N 3.44Å; T206-Y208 VanDerWaalsContact C-N 3.33Å; T206-Y208 PolarHBondContact O-N 2.76Å; T206-N209 PolarHBondContact O-N 3.35Å; T206-V210 WeakPolarHBondContact O-CG2 3.07Å; T206-V210 PolarHBondContact O-N 2.84Å; T206-V210 VanDerWaalsContact O-N 3.15Å |
| 207 | W | 91.8 | Very high | 93.1 | Very high | 138 Ų | 138 | 73.8 Ų | 73.8 | 52% | 0.523 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 176.6 | 179.8 | 89.7 | 0 | 0 | 0 | 111.9 | K203 I204 V210 N211 L215 | K203-W207 WeakPolarHBondContact O-CB 3.45Å; K203-W207 PolarHBondContact O-N 3.29Å; I204-W207 PolarHBondContact O-N 2.72Å; W207-V210 PolarHBondContact O-N 2.74Å; W207-N211 HydrophobicContact CZ2-CB 4.45Å; W207-N211 PolarHBondContact NE1-ND2 2.86Å; W207-N211 PolarHBondContact O-N 2.9Å; W207-N211 VanDerWaalsContact O-N 3.1Å; W207-N211 PolarHBondContact O-ND2 3.21Å; W207-L215 HydrophobicContact CZ3-CD1 4.29Å |
| 208 | Y | 89.7 | Confident | 93.3 | Very high | 112 Ų | 112 | 75.2 Ų | 75.2 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 177.5 | 177.6 | -93.3 | 0 | 0 | 0 | 111.2 | I204 S205 T206 V210 N211 A212 L215 | I204-Y208 WeakPolarHBondContact O-CB 3.34Å; I204-Y208 PolarHBondContact O-N 2.59Å; S205-Y208 PolarHBondContact O-N 3.4Å; T206-Y208 VanDerWaalsContact C-N 3.33Å; T206-Y208 PolarHBondContact O-N 2.76Å; Y208-V210 VanDerWaalsContact C-N 3.26Å; Y208-V210 PolarHBondContact O-N 3.12Å; Y208-N211 CarbonylContact O-C 3.42Å; Y208-N211 PolarHBondContact O-N 2.95Å; Y208-A212 HydrophobicContact CE1-CB 4.18Å; Y208-A212 WeakPolarHBondContact O-CA 3.46Å; Y208-A212 WeakPolarHBondContact O-CB 3.47Å; Y208-A212 PolarHBondContact O-N 3.49Å; Y208-L215 HydrophobicContact CD2-CD1 3.71Å; Y208-L215 HydrophobicContact CE2-CD1 3.75Å |
| 209 | N | 92.3 | Very high | 93.4 | Very high | 106 Ų | 106 | 74.4 Ų | 74.4 | 57% | 0.567 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61 | -36.1 | -179 | -70.1 | -33.3 | 0 | 0 | 0 | 112.3 | S205 T206 | S205-N209 WeakPolarHBondContact O-CB 3.26Å; S205-N209 PolarHBondContact O-N 3.28Å; S205-N209 PolarHBondContact O-ND2 3.45Å; T206-N209 PolarHBondContact O-N 3.35Å |
| 210 | V | 94.2 | Very high | 93.5 | Very high | 112 Ų | 112 | 81 Ų | 81 | 68% | 0.679 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.1 | -34.6 | 175.4 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | T206 W207 Y208 | T206-V210 WeakPolarHBondContact O-CG2 3.07Å; T206-V210 PolarHBondContact O-N 2.84Å; T206-V210 VanDerWaalsContact O-N 3.15Å; W207-V210 PolarHBondContact O-N 2.74Å; Y208-V210 VanDerWaalsContact C-N 3.26Å; Y208-V210 PolarHBondContact O-N 3.12Å |
| 211 | N | 93.9 | Very high | 93.5 | Very high | 49 Ų | 49 | 82.3 Ų | 82.3 | 26% | 0.262 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -104.9 | 3.2 | -174 | -66.5 | -78.7 | 0 | 0 | 0 | 114.3 | W207 Y208 L213 T214 L215 | W207-N211 HydrophobicContact CZ2-CB 4.45Å; W207-N211 PolarHBondContact NE1-ND2 2.86Å; W207-N211 PolarHBondContact O-N 2.9Å; W207-N211 VanDerWaalsContact O-N 3.1Å; W207-N211 PolarHBondContact O-ND2 3.21Å; Y208-N211 CarbonylContact O-C 3.42Å; Y208-N211 PolarHBondContact O-N 2.95Å; N211-L213 VanDerWaalsContact C-N 3.3Å; N211-L213 PolarHBondContact O-N 2.82Å; N211-T214 WeakPolarHBondContact O-CB 3.31Å; N211-T214 PolarHBondContact O-N 3.16Å; N211-L215 PolarHBondContact O-N 3.39Å |
| 212 | A | 91.5 | Very high | 93.6 | Very high | 20 Ų | 20 | 82.8 Ų | 82.8 | 17% | 0.165 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.3 | -41.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y208 T214 L215 I216 | Y208-A212 HydrophobicContact CE1-CB 4.18Å; Y208-A212 WeakPolarHBondContact O-CA 3.46Å; Y208-A212 WeakPolarHBondContact O-CB 3.47Å; Y208-A212 PolarHBondContact O-N 3.49Å; A212-T214 VanDerWaalsContact C-N 3.31Å; A212-T214 PolarHBondContact O-N 3.34Å; A212-L215 PolarHBondContact O-N 2.89Å; A212-I216 WeakPolarHBondContact O-CB 3.41Å; A212-I216 VanDerWaalsContact O-CG1 3.27Å; A212-I216 WeakPolarHBondContact O-CG1 3.08Å; A212-I216 PolarHBondContact O-N 3.3Å |
| 213 | L | 93.8 | Very high | 93.7 | Very high | 149 Ų | 149 | 80.1 Ų | 80.1 | 78% | 0.78 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.9 | -41.6 | 178.7 | -171.9 | 68.2 | 0 | 0 | 0 | 111.8 | N211 G217 | N211-L213 VanDerWaalsContact C-N 3.3Å; N211-L213 PolarHBondContact O-N 2.82Å; L213-G217 PolarHBondContact O-N 3.3Å |
| 214 | T | 95.1 | Very high | 93.8 | Very high | 86 Ų | 86 | 80 Ų | 80 | 53% | 0.528 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 177.5 | -53 | 0 | 0 | 0 | 0 | 111.1 | N211 A212 G217 I218 | N211-T214 WeakPolarHBondContact O-CB 3.31Å; N211-T214 PolarHBondContact O-N 3.16Å; A212-T214 VanDerWaalsContact C-N 3.31Å; A212-T214 PolarHBondContact O-N 3.34Å; T214-G217 PolarHBondContact O-N 3.46Å; T214-I218 HydrophobicContact CG2-CD1 4.12Å; T214-I218 WeakPolarHBondContact O-CG1 3.39Å; T214-I218 PolarHBondContact O-N 3.02Å |
| 215 | L | 92.2 | Very high | 94 | Very high | 66 Ų | 66 | 78 Ų | 78 | 35% | 0.346 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 179 | -66.4 | 174.2 | 0 | 0 | 0 | 112 | W207 Y208 N211 A212 G217 I218 N219 | W207-L215 HydrophobicContact CZ3-CD1 4.29Å; Y208-L215 HydrophobicContact CD2-CD1 3.71Å; Y208-L215 HydrophobicContact CE2-CD1 3.75Å; N211-L215 PolarHBondContact O-N 3.39Å; A212-L215 PolarHBondContact O-N 2.89Å; L215-G217 VanDerWaalsContact C-N 3.32Å; L215-I218 PolarHBondContact O-N 3.42Å; L215-N219 PolarHBondContact O-N 2.8Å |
| 216 | I | 92.9 | Very high | 94.2 | Very high | 106 Ų | 106 | 76.1 Ų | 76.1 | 54% | 0.544 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 174.6 | -67.3 | 166.1 | 0 | 0 | 0 | 110.2 | A212 I218 N219 F220 | A212-I216 WeakPolarHBondContact O-CB 3.41Å; A212-I216 VanDerWaalsContact O-CG1 3.27Å; A212-I216 WeakPolarHBondContact O-CG1 3.08Å; A212-I216 PolarHBondContact O-N 3.3Å; I216-I218 PolarHBondContact O-N 3.49Å; I216-N219 PolarHBondContact O-N 3.38Å; I216-F220 WeakPolarHBondContact O-CB 3.05Å; I216-F220 PolarHBondContact O-N 3.28Å |
| 217 | G | 95.7 | Very high | 94.3 | Very high | 41 Ų | 41 | 75.9 Ų | 75.9 | 42% | 0.423 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L213 T214 L215 G221 | L213-G217 PolarHBondContact O-N 3.3Å; T214-G217 PolarHBondContact O-N 3.46Å; L215-G217 VanDerWaalsContact C-N 3.32Å; G217-G221 PolarHBondContact O-N 3.4Å |
| 218 | I | 95.3 | Very high | 94.5 | Very high | 111 Ų | 111 | 74.4 Ų | 74.4 | 57% | 0.569 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.2 | -46.9 | 175.7 | -68.4 | 164.5 | 0 | 0 | 0 | 110.7 | T214 L215 I216 F220 G221 L222 | T214-I218 HydrophobicContact CG2-CD1 4.12Å; T214-I218 WeakPolarHBondContact O-CG1 3.39Å; T214-I218 PolarHBondContact O-N 3.02Å; L215-I218 PolarHBondContact O-N 3.42Å; I216-I218 PolarHBondContact O-N 3.49Å; I218-F220 PolarHBondContact O-N 2.74Å; I218-G221 PolarHBondContact O-N 3.06Å; I218-L222 PolarHBondContact O-N 3.26Å |
| 219 | N | 94.6 | Very high | 94.8 | Very high | 54 Ų | 54 | 69.6 Ų | 69.6 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | -179.6 | -170.7 | -90.6 | 0 | 0 | 0 | 111.8 | Q100 S104 L215 I216 L222 L223 | Q100-N219 PolarHBondContact NE2-ND2 3.47Å; Q100-N219 PolarHBondContact NE2-O 3.46Å; S104-N219 PolarHBondContact OG-ND2 3.38Å; S104-N219 PolarHBondContact OG-OD1 2.94Å; L215-N219 PolarHBondContact O-N 2.8Å; I216-N219 PolarHBondContact O-N 3.38Å; N219-L222 PolarHBondContact O-N 3.03Å; N219-L223 WeakPolarHBondContact O-CG 3.37Å; N219-L223 PolarHBondContact O-N 3.21Å |
| 220 | F | 96.1 | Very high | 95 | Very high | 139 Ų | 139 | 66 Ų | 66 | 61% | 0.61 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.4 | -41.1 | 176.7 | -175.9 | -98.2 | 0 | 0 | 0 | 112.3 | I216 I218 L222 L223 T224 | I216-F220 WeakPolarHBondContact O-CB 3.05Å; I216-F220 PolarHBondContact O-N 3.28Å; I218-F220 PolarHBondContact O-N 2.74Å; F220-L222 VanDerWaalsContact C-N 3.31Å; F220-L222 PolarHBondContact O-N 3.45Å; F220-L223 PolarHBondContact O-N 2.94Å; F220-T224 HydrophobicContact CD1-CG2 4.04Å; F220-T224 HydrophobicContact CE1-CG2 3.59Å; F220-T224 HydrophobicContact CE2-CG2 4.16Å; F220-T224 HydrophobicContact CZ-CG2 3.66Å; F220-T224 WeakPolarHBondContact O-CG2 3.37Å; F220-T224 PolarHBondContact O-N 3.49Å; F220-T224 PolarHBondContact O-OG1 2.92Å |
| 221 | G | 96 | Very high | 95 | Very high | 34 Ų | 34 | 63.5 Ų | 63.5 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G217 I218 T224 S225 | G217-G221 PolarHBondContact O-N 3.4Å; I218-G221 PolarHBondContact O-N 3.06Å; G221-T224 WeakPolarHBondContact CA-OG1 3.3Å; G221-T224 PolarHBondContact O-OG1 3.38Å; G221-S225 WeakPolarHBondContact O-CB 3.34Å; G221-S225 PolarHBondContact O-N 3.4Å; G221-S225 PolarHBondContact O-OG 3.43Å |
| 222 | L | 95.4 | Very high | 95.1 | Very high | 65 Ų | 65 | 62.2 Ų | 62.2 | 34% | 0.34 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.1 | -50.6 | 176.2 | -172.9 | 59.6 | 0 | 0 | 0 | 111.6 | F21 I218 N219 F220 T224 S225 E226 | F21-L222 HydrophobicContact CE1-CD1 4.24Å; F21-L222 HydrophobicContact CZ-CD1 4.4Å; I218-L222 PolarHBondContact O-N 3.26Å; N219-L222 PolarHBondContact O-N 3.03Å; F220-L222 VanDerWaalsContact C-N 3.31Å; F220-L222 PolarHBondContact O-N 3.45Å; L222-T224 VanDerWaalsContact C-N 3.34Å; L222-T224 PolarHBondContact O-N 3.4Å; L222-S225 PolarHBondContact O-N 3.18Å; L222-S225 VanDerWaalsContact O-N 3.13Å; L222-S225 PolarHBondContact O-OG 3.49Å; L222-E226 WeakPolarHBondContact O-CG 3.25Å; L222-E226 PolarHBondContact O-N 2.86Å |
| 223 | L | 96.6 | Very high | 95.2 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 178.1 | -71 | 171.3 | 0 | 0 | 0 | 112.4 | F97 Q100 V101 N219 F220 S225 E226 V227 | F97-L223 HydrophobicContact CD2-CD2 3.6Å; F97-L223 HydrophobicContact CE2-CB 4.41Å; F97-L223 HydrophobicContact CE2-CD2 3.69Å; Q100-L223 HydrophobicContact CB-CD2 4.12Å; Q100-L223 HydrophobicContact CG-CD2 3.87Å; Q100-L223 HydrophobicContact CG-CG 4.43Å; V101-L223 HydrophobicContact CG2-CD2 3.81Å; N219-L223 WeakPolarHBondContact O-CG 3.37Å; N219-L223 PolarHBondContact O-N 3.21Å; F220-L223 PolarHBondContact O-N 2.94Å; L223-S225 VanDerWaalsContact C-N 3.33Å; L223-S225 PolarHBondContact O-N 2.04Å; L223-E226 PolarHBondContact O-N 3.48Å; L223-V227 WeakPolarHBondContact O-CG2 3.45Å; L223-V227 PolarHBondContact O-N 3.04Å; L223-V227 VanDerWaalsContact O-N 3.1Å |
| 224 | T | 95.9 | Very high | 95.2 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 40% | 0.399 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 178.9 | 51.2 | 0 | 0 | 0 | 0 | 111.7 | F220 G221 L222 F228 | F220-T224 HydrophobicContact CD1-CG2 4.04Å; F220-T224 HydrophobicContact CE1-CG2 3.59Å; F220-T224 HydrophobicContact CE2-CG2 4.16Å; F220-T224 HydrophobicContact CZ-CG2 3.66Å; F220-T224 WeakPolarHBondContact O-CG2 3.37Å; F220-T224 PolarHBondContact O-N 3.49Å; F220-T224 PolarHBondContact O-OG1 2.92Å; G221-T224 WeakPolarHBondContact CA-OG1 3.3Å; G221-T224 PolarHBondContact O-OG1 3.38Å; L222-T224 VanDerWaalsContact C-N 3.34Å; L222-T224 PolarHBondContact O-N 3.4Å; T224-F228 WeakPolarHBondContact O-CB 3.37Å; T224-F228 PolarHBondContact O-N 3.1Å |
| 225 | S | 95.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176 | 75.9 | 0 | 0 | 0 | 0 | 112.7 | G221 L222 L223 F228 Q229 | G221-S225 WeakPolarHBondContact O-CB 3.34Å; G221-S225 PolarHBondContact O-N 3.4Å; G221-S225 PolarHBondContact O-OG 3.43Å; L222-S225 PolarHBondContact O-N 3.18Å; L222-S225 VanDerWaalsContact O-N 3.13Å; L222-S225 PolarHBondContact O-OG 3.49Å; L223-S225 VanDerWaalsContact C-N 3.33Å; L223-S225 PolarHBondContact O-N 2.04Å; S225-F228 PolarHBondContact O-N 3.29Å; S225-Q229 VanDerWaalsContact O-CB 3.3Å; S225-Q229 WeakPolarHBondContact O-CB 3.3Å; S225-Q229 PolarHBondContact O-N 2.84Å |
| 226 | E | 96.2 | Very high | 95.1 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -47.2 | 178.3 | -69.5 | 175.9 | 152.7 | 0 | 0 | 111.6 | I93 V96 F97 Q100 L222 L223 F228 Q229 V230 | I93-E226 HydrophobicContact CG2-CB 3.87Å; I93-E226 HydrophobicContact CG2-CG 4.15Å; V96-E226 VanDerWaalsContact CG1-OE1 3.24Å; V96-E226 WeakPolarHBondContact CG1-OE1 3.29Å; F97-E226 VanDerWaalsContact CA-OE2 3.26Å; F97-E226 WeakPolarHBondContact CA-OE2 3.27Å; F97-E226 WeakPolarHBondContact CB-OE2 3.18Å; F97-E226 HydrophobicContact CD2-CB 4.5Å; Q100-E226 PolarHBondContact OE1-OE2 2.02Å; L222-E226 WeakPolarHBondContact O-CG 3.25Å; L222-E226 PolarHBondContact O-N 2.86Å; L223-E226 PolarHBondContact O-N 3.48Å; E226-F228 VanDerWaalsContact C-N 3.27Å; E226-F228 PolarHBondContact O-N 3.42Å; E226-Q229 PolarHBondContact O-N 3.48Å; E226-V230 WeakPolarHBondContact O-CG2 3.25Å; E226-V230 PolarHBondContact O-N 3.38Å |
| 227 | V | 96.5 | Very high | 95 | Very high | 67 Ų | 67 | 49.8 Ų | 49.8 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 177 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | F97 L223 S231 | F97-V227 HydrophobicContact CD2-CG2 4.04Å; F97-V227 HydrophobicContact CE2-CG2 3.59Å; F97-V227 HydrophobicContact CZ-CG2 4.13Å; L223-V227 WeakPolarHBondContact O-CG2 3.45Å; L223-V227 PolarHBondContact O-N 3.04Å; L223-V227 VanDerWaalsContact O-N 3.1Å; V227-S231 VanDerWaalsContact O-CB 3.29Å; V227-S231 WeakPolarHBondContact O-CB 3.31Å; V227-S231 PolarHBondContact O-N 3.2Å; V227-S231 PolarHBondContact O-OG 3.23Å |
| 228 | F | 95.9 | Very high | 94.8 | Very high | 107 Ų | 107 | 55.6 Ų | 55.6 | 47% | 0.469 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 176.9 | -172.4 | -118 | 0 | 0 | 0 | 111.6 | I17 T224 S225 E226 S231 L232 | I17-F228 HydrophobicContact CD1-CD1 3.64Å; I17-F228 HydrophobicContact CD1-CE1 3.74Å; T224-F228 WeakPolarHBondContact O-CB 3.37Å; T224-F228 PolarHBondContact O-N 3.1Å; S225-F228 PolarHBondContact O-N 3.29Å; E226-F228 VanDerWaalsContact C-N 3.27Å; E226-F228 PolarHBondContact O-N 3.42Å; F228-S231 WeakPolarHBondContact O-CB 3.42Å; F228-S231 PolarHBondContact O-N 3.03Å; F228-L232 HydrophobicContact CD1-CD1 3.89Å; F228-L232 HydrophobicContact CE1-CD1 3.48Å; F228-L232 VanDerWaalsContact CE1-CD1 3.48Å; F228-L232 HydrophobicContact CE1-CG 4.25Å; F228-L232 HydrophobicContact CE2-CD1 4.4Å; F228-L232 HydrophobicContact CE2-CD2 4.45Å; F228-L232 HydrophobicContact CE2-CG 4.32Å; F228-L232 HydrophobicContact CZ-CD1 3.76Å; F228-L232 HydrophobicContact CZ-CD2 4.28Å; F228-L232 HydrophobicContact CZ-CG 4.14Å; F228-L232 WeakPolarHBondContact O-CG 3.04Å; F228-L232 PolarHBondContact O-N 3.43Å |
| 229 | Q | 95 | Very high | 94.5 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 179.5 | -165.7 | 169.8 | 19.5 | 0 | 0 | 112.6 | I17 N18 Y89 I93 S225 E226 L232 T233 | I17-Q229 HydrophobicContact CG2-CG 4.45Å; N18-Q229 PolarHBondContact OD1-NE2 3.05Å; Y89-Q229 PolarHBondContact OH-NE2 2.81Å; I93-Q229 HydrophobicContact CD1-CB 4.4Å; I93-Q229 HydrophobicContact CD1-CG 3.75Å; S225-Q229 VanDerWaalsContact O-CB 3.3Å; S225-Q229 WeakPolarHBondContact O-CB 3.3Å; S225-Q229 PolarHBondContact O-N 2.84Å; E226-Q229 PolarHBondContact O-N 3.48Å; Q229-L232 PolarHBondContact O-N 3.43Å; Q229-T233 WeakPolarHBondContact O-CB 3.05Å; Q229-T233 PolarHBondContact O-N 3.29Å; Q229-T233 PolarHBondContact O-OG1 3.13Å |
| 230 | V | 96.1 | Very high | 94.1 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 172.8 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | I93 E226 L232 T233 V234 | I93-V230 HydrophobicContact CB-CG2 3.8Å; I93-V230 HydrophobicContact CG2-CG2 3.48Å; I93-V230 VanDerWaalsContact CG2-CG2 3.48Å; E226-V230 WeakPolarHBondContact O-CG2 3.25Å; E226-V230 PolarHBondContact O-N 3.38Å; V230-L232 PolarHBondContact O-N 3.03Å; V230-T233 PolarHBondContact O-N 2.84Å; V230-V234 HydrophobicContact CG1-CG2 4.25Å; V230-V234 WeakPolarHBondContact O-CG2 3.26Å; V230-V234 PolarHBondContact O-N 3.43Å |
| 231 | S | 95.6 | Very high | 93.7 | Very high | 61 Ų | 61 | 48.2 Ų | 48.2 | 43% | 0.427 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 179.5 | -62.3 | 0 | 0 | 0 | 0 | 112 | V227 F228 C235 | V227-S231 VanDerWaalsContact O-CB 3.29Å; V227-S231 WeakPolarHBondContact O-CB 3.31Å; V227-S231 PolarHBondContact O-N 3.2Å; V227-S231 PolarHBondContact O-OG 3.23Å; F228-S231 WeakPolarHBondContact O-CB 3.42Å; F228-S231 PolarHBondContact O-N 3.03Å; S231-C235 WeakPolarHBondContact O-CB 3.35Å; S231-C235 PolarHBondContact O-N 2.96Å; S231-C235 PolarHBondContact O-SG 3.12Å |
| 232 | L | 95.1 | Very high | 93.2 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 175.3 | -72.1 | 179.7 | 0 | 0 | 0 | 111.7 | L10 F13 L14 I17 F228 Q229 V230 C235 F236 | L10-L232 HydrophobicContact CD2-CD2 3.99Å; F13-L232 HydrophobicContact CB-CD1 4.01Å; L14-L232 HydrophobicContact CD1-CB 4.46Å; L14-L232 HydrophobicContact CD2-CB 3.51Å; L14-L232 HydrophobicContact CD2-CD1 4.32Å; L14-L232 HydrophobicContact CG-CB 3.91Å; L14-L232 HydrophobicContact CG-CD1 4.49Å; I17-L232 HydrophobicContact CD1-CD1 4Å; F228-L232 HydrophobicContact CD1-CD1 3.89Å; F228-L232 HydrophobicContact CE1-CD1 3.48Å; F228-L232 VanDerWaalsContact CE1-CD1 3.48Å; F228-L232 HydrophobicContact CE1-CG 4.25Å; F228-L232 HydrophobicContact CE2-CD1 4.4Å; F228-L232 HydrophobicContact CE2-CD2 4.45Å; F228-L232 HydrophobicContact CE2-CG 4.32Å; F228-L232 HydrophobicContact CZ-CD1 3.76Å; F228-L232 HydrophobicContact CZ-CD2 4.28Å; F228-L232 HydrophobicContact CZ-CG 4.14Å; F228-L232 WeakPolarHBondContact O-CG 3.04Å; F228-L232 PolarHBondContact O-N 3.43Å; Q229-L232 PolarHBondContact O-N 3.43Å; V230-L232 PolarHBondContact O-N 3.03Å; L232-C235 WeakPolarHBondContact O-CB 2.97Å; L232-C235 PolarHBondContact O-N 2.87Å; L232-F236 WeakPolarHBondContact O-CB 3.47Å; L232-F236 PolarHBondContact O-N 3.29Å |
| 233 | T | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 179.2 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | L14 L86 Y89 A90 Q229 V230 F236 F237 | L14-T233 WeakPolarHBondContact CD2-OG1 2.97Å; L86-T233 HydrophobicContact CD2-CG2 4.41Å; Y89-T233 HydrophobicContact CD1-CG2 3.96Å; Y89-T233 HydrophobicContact CE1-CG2 4.38Å; A90-T233 HydrophobicContact CB-CG2 4.06Å; Q229-T233 WeakPolarHBondContact O-CB 3.05Å; Q229-T233 PolarHBondContact O-N 3.29Å; Q229-T233 PolarHBondContact O-OG1 3.13Å; V230-T233 PolarHBondContact O-N 2.84Å; T233-F236 PolarHBondContact O-N 3.07Å; T233-F237 WeakPolarHBondContact O-CB 3.46Å; T233-F237 PolarHBondContact O-N 3.25Å |
| 234 | V | 93.8 | Very high | 91.7 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 176.3 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | V230 F236 F237 R238 | V230-V234 HydrophobicContact CG1-CG2 4.25Å; V230-V234 WeakPolarHBondContact O-CG2 3.26Å; V230-V234 PolarHBondContact O-N 3.43Å; V234-F236 VanDerWaalsContact C-N 3.32Å; V234-F236 PolarHBondContact O-N 2.86Å; V234-F237 PolarHBondContact O-N 2.78Å; V234-R238 HydrophobicContact CG1-CG 4.48Å; V234-R238 WeakPolarHBondContact O-CB 3.12Å; V234-R238 WeakPolarHBondContact O-CG 3.47Å; V234-R238 PolarHBondContact O-N 2.94Å |
| 235 | C | 92.8 | Very high | 90.8 | Very high | 63 Ų | 63 | 56.3 Ų | 56.3 | 43% | 0.426 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 174.1 | -75 | 0 | 0 | 0 | 0 | 111.6 | L10 S231 L232 R238 H239 | L10-C235 HydrophobicContact CD2-CB 4.3Å; S231-C235 WeakPolarHBondContact O-CB 3.35Å; S231-C235 PolarHBondContact O-N 2.96Å; S231-C235 PolarHBondContact O-SG 3.12Å; L232-C235 WeakPolarHBondContact O-CB 2.97Å; L232-C235 PolarHBondContact O-N 2.87Å; C235-R238 PolarHBondContact O-N 3.45Å; C235-H239 WeakPolarHBondContact O-CB 3Å; C235-H239 PolarHBondContact O-N 3.15Å |
| 236 | F | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 178.1 | -176.8 | -114.4 | 0 | 0 | 0 | 112 | T7 L10 K11 L14 I78 E81 L86 L232 T233 V234 R238 H239 I240 | T7-F236 HydrophobicContact CG2-CE2 4.11Å; L10-F236 HydrophobicContact CB-CB 4.49Å; L10-F236 HydrophobicContact CB-CD2 3.92Å; L10-F236 HydrophobicContact CD1-CB 4.44Å; L10-F236 HydrophobicContact CD1-CD2 4.36Å; K11-F236 HydrophobicContact CD-CE2 4.32Å; K11-F236 HydrophobicContact CD-CZ 4.3Å; K11-F236 HydrophobicContact CG-CD2 4.46Å; K11-F236 HydrophobicContact CG-CE2 3.55Å; K11-F236 HydrophobicContact CG-CZ 3.76Å; L14-F236 HydrophobicContact CD1-CB 3.89Å; L14-F236 HydrophobicContact CD1-CD1 4.28Å; L14-F236 HydrophobicContact CD1-CG 4.08Å; I78-F236 HydrophobicContact CG2-CE1 4.29Å; I78-F236 HydrophobicContact CG2-CZ 4.35Å; E81-F236 HydrophobicContact CG-CZ 4.31Å; L86-F236 HydrophobicContact CD1-CD1 3.76Å; L86-F236 HydrophobicContact CD1-CE1 3.76Å; L86-F236 HydrophobicContact CD2-CD1 4.03Å; L86-F236 HydrophobicContact CD2-CE1 4.17Å; L232-F236 WeakPolarHBondContact O-CB 3.47Å; L232-F236 PolarHBondContact O-N 3.29Å; T233-F236 PolarHBondContact O-N 3.07Å; V234-F236 VanDerWaalsContact C-N 3.32Å; V234-F236 PolarHBondContact O-N 2.86Å; F236-R238 PolarHBondContact O-N 3.1Å; F236-H239 WeakPolarHBondContact O-CB 3.23Å; F236-H239 PolarHBondContact O-N 2.83Å; F236-I240 HydrophobicContact CD1-CD1 3.89Å; F236-I240 HydrophobicContact CD2-CD1 4.49Å; F236-I240 HydrophobicContact CE1-CD1 3.35Å; F236-I240 HydrophobicContact CE1-CG1 4.48Å; F236-I240 HydrophobicContact CE2-CD1 4.02Å; F236-I240 HydrophobicContact CE2-CG1 4.42Å; F236-I240 HydrophobicContact CG-CD1 4.43Å; F236-I240 HydrophobicContact CZ-CD1 3.42Å; F236-I240 VanDerWaalsContact CZ-CD1 3.42Å; F236-I240 HydrophobicContact CZ-CG1 4.26Å; F236-I240 PolarHBondContact O-N 3.03Å |
| 237 | F | 91.3 | Very high | 88.5 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 23% | 0.228 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.9 | -48.4 | 175.3 | 174.7 | -95.4 | 0 | 0 | 0 | 112.5 | R83 I87 T233 V234 H239 I240 K241 | R83-F237 HydrophobicContact CB-CE2 4.06Å; R83-F237 HydrophobicContact CG-CE2 4.27Å; I87-F237 HydrophobicContact CD1-CE2 3.84Å; I87-F237 HydrophobicContact CD1-CZ 4.09Å; I87-F237 HydrophobicContact CG1-CD2 4.31Å; I87-F237 HydrophobicContact CG1-CE2 3.88Å; I87-F237 HydrophobicContact CG1-CZ 4.34Å; T233-F237 WeakPolarHBondContact O-CB 3.46Å; T233-F237 PolarHBondContact O-N 3.25Å; V234-F237 PolarHBondContact O-N 2.78Å; F237-H239 VanDerWaalsContact C-N 3.26Å; F237-H239 PolarHBondContact O-N 2.9Å; F237-I240 PolarHBondContact O-N 3.18Å; F237-K241 HydrophobicContact CE1-CD 4.49Å; F237-K241 WeakPolarHBondContact O-CB 3.14Å; F237-K241 PolarHBondContact O-N 2.77Å |
| 238 | R | 90.1 | Very high | 86.9 | Confident | 162 Ų | 162 | 68.6 Ų | 68.6 | 61% | 0.611 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.9 | -39.3 | 177 | -73.4 | 177.6 | -177.3 | 174.7 | 2.2 | 111.3 | V234 C235 F236 K241 N242 | V234-R238 HydrophobicContact CG1-CG 4.48Å; V234-R238 WeakPolarHBondContact O-CB 3.12Å; V234-R238 WeakPolarHBondContact O-CG 3.47Å; V234-R238 PolarHBondContact O-N 2.94Å; C235-R238 PolarHBondContact O-N 3.45Å; F236-R238 PolarHBondContact O-N 3.1Å; R238-K241 PolarHBondContact O-N 2.9Å; R238-N242 WeakPolarHBondContact O-CB 3.32Å; R238-N242 PolarHBondContact O-N 3.41Å; R238-N242 PolarHBondContact O-OD1 2.94Å |
| 239 | H | 88.6 | Confident | 86.4 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 12% | 0.12 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 177.8 | -168.1 | -100.3 | 0 | 0 | 0 | 112.2 | R3 T7 C235 F236 F237 K241 N242 I243 | R3-H239 PolarHBondContact O-CE1 2.03Å; T7-H239 PolarHBondContact OG1-CE1 2.81Å; T7-H239 PolarHBondContact OG1-ND1 3.31Å; T7-H239 VanDerWaalsContact OG1-ND1 3.12Å; C235-H239 WeakPolarHBondContact O-CB 3Å; C235-H239 PolarHBondContact O-N 3.15Å; F236-H239 WeakPolarHBondContact O-CB 3.23Å; F236-H239 PolarHBondContact O-N 2.83Å; F237-H239 VanDerWaalsContact C-N 3.26Å; F237-H239 PolarHBondContact O-N 2.9Å; H239-K241 VanDerWaalsContact C-N 3.33Å; H239-K241 PolarHBondContact O-N 3.27Å; H239-N242 PolarHBondContact O-N 3.12Å; H239-I243 WeakPolarHBondContact O-CG1 2.97Å; H239-I243 PolarHBondContact O-N 2.72Å; H239-I243 VanDerWaalsContact O-N 3.08Å |
| 240 | I | 87.6 | Confident | 86 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.9 | -71.3 | 169.8 | 0 | 0 | 0 | 111.3 | E81 R83 L86 F236 F237 N242 I243 I244 | E81-I240 HydrophobicContact CB-CD1 3.84Å; E81-I240 HydrophobicContact CG-CD1 4.02Å; R83-I240 HydrophobicContact CG-CG2 4.35Å; L86-I240 HydrophobicContact CD1-CD1 4.01Å; F236-I240 HydrophobicContact CD1-CD1 3.89Å; F236-I240 HydrophobicContact CD2-CD1 4.49Å; F236-I240 HydrophobicContact CE1-CD1 3.35Å; F236-I240 HydrophobicContact CE1-CG1 4.48Å; F236-I240 HydrophobicContact CE2-CD1 4.02Å; F236-I240 HydrophobicContact CE2-CG1 4.42Å; F236-I240 HydrophobicContact CG-CD1 4.43Å; F236-I240 HydrophobicContact CZ-CD1 3.42Å; F236-I240 VanDerWaalsContact CZ-CD1 3.42Å; F236-I240 HydrophobicContact CZ-CG1 4.26Å; F236-I240 PolarHBondContact O-N 3.03Å; F237-I240 PolarHBondContact O-N 3.18Å; I240-N242 VanDerWaalsContact C-N 3.34Å; I240-N242 PolarHBondContact O-N 3.31Å; I240-I243 PolarHBondContact O-N 3.31Å; I240-I244 HydrophobicContact CG2-CD1 4.14Å; I240-I244 PolarHBondContact O-N 3.02Å |
| 241 | K | 86.9 | Confident | 85.4 | Confident | 118 Ų | 118 | 71.8 Ų | 71.8 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 178.3 | -175.5 | 178.9 | 176.3 | -178.5 | 0 | 111.5 | F237 R238 H239 I244 H245 | F237-K241 HydrophobicContact CE1-CD 4.49Å; F237-K241 WeakPolarHBondContact O-CB 3.14Å; F237-K241 PolarHBondContact O-N 2.77Å; R238-K241 PolarHBondContact O-N 2.9Å; H239-K241 VanDerWaalsContact C-N 3.33Å; H239-K241 PolarHBondContact O-N 3.27Å; K241-I244 PolarHBondContact O-N 3.42Å; K241-H245 PolarHBondContact O-N 3.5Å; K241-H245 VanDerWaalsContact O-N 3.15Å |
| 242 | N | 85.6 | Confident | 84.8 | Confident | 111 Ų | 111 | 72.4 Ų | 72.4 | 59% | 0.594 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.9 | -33 | -179.4 | -69.4 | -4.9 | 0 | 0 | 0 | 112.8 | R238 H239 I240 A246 | R238-N242 WeakPolarHBondContact O-CB 3.32Å; R238-N242 PolarHBondContact O-N 3.41Å; R238-N242 PolarHBondContact O-OD1 2.94Å; H239-N242 PolarHBondContact O-N 3.12Å; I240-N242 VanDerWaalsContact C-N 3.34Å; I240-N242 PolarHBondContact O-N 3.31Å; N242-A246 WeakPolarHBondContact O-CB 3.16Å; N242-A246 PolarHBondContact O-N 3.13Å; N242-A246 VanDerWaalsContact O-N 3.15Å |
| 243 | I | 82.1 | Confident | 84.2 | Confident | 31 Ų | 31 | 75.6 Ų | 75.6 | 16% | 0.159 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.7 | -52 | 175.6 | -72.2 | 166.4 | 0 | 0 | 0 | 110.3 | R3 H239 I240 H245 A246 E247 | R3-I243 HydrophobicContact CG-CD1 4.44Å; R3-I243 HydrophobicContact CG-CG1 4.4Å; H239-I243 WeakPolarHBondContact O-CG1 2.97Å; H239-I243 PolarHBondContact O-N 2.72Å; H239-I243 VanDerWaalsContact O-N 3.08Å; I240-I243 PolarHBondContact O-N 3.31Å; I243-H245 VanDerWaalsContact C-N 3.34Å; I243-H245 PolarHBondContact O-N 3.39Å; I243-A246 PolarHBondContact O-N 2.9Å; I243-A246 VanDerWaalsContact O-N 3.13Å; I243-E247 PolarHBondContact O-N 2.73Å |
| 244 | I | 77.6 | Confident | 83.5 | Confident | 77 Ų | 77 | 80.6 Ų | 80.6 | 40% | 0.395 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | -175.7 | -71.7 | 167.3 | 0 | 0 | 0 | 111.4 | I240 K241 A246 E247 T248 | I240-I244 HydrophobicContact CG2-CD1 4.14Å; I240-I244 PolarHBondContact O-N 3.02Å; K241-I244 PolarHBondContact O-N 3.42Å; I244-A246 VanDerWaalsContact C-N 3.26Å; I244-A246 PolarHBondContact O-N 3.2Å; I244-E247 PolarHBondContact O-N 2.67Å; I244-E247 VanDerWaalsContact O-N 3.14Å; I244-T248 PolarHBondContact O-N 3.02Å; I244-T248 PolarHBondContact O-OG1 3.21Å |
| 245 | H | 77.1 | Confident | 82.8 | Confident | 146 Ų | 146 | 82.7 Ų | 82.7 | 68% | 0.676 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.5 | -25.4 | 176.1 | -163 | 51.4 | 0 | 0 | 0 | 113.2 | K241 I243 E247 | K241-H245 PolarHBondContact O-N 3.5Å; K241-H245 VanDerWaalsContact O-N 3.15Å; I243-H245 VanDerWaalsContact C-N 3.34Å; I243-H245 PolarHBondContact O-N 3.39Å; H245-E247 VanDerWaalsContact C-N 3.29Å |
| 246 | A | 75.1 | Confident | 82 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 59% | 0.587 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -80.1 | -11.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N242 I243 I244 | N242-A246 WeakPolarHBondContact O-CB 3.16Å; N242-A246 PolarHBondContact O-N 3.13Å; N242-A246 VanDerWaalsContact O-N 3.15Å; I243-A246 PolarHBondContact O-N 2.9Å; I243-A246 VanDerWaalsContact O-N 3.13Å; I244-A246 VanDerWaalsContact C-N 3.26Å; I244-A246 PolarHBondContact O-N 3.2Å |
| 247 | E | 69.9 | Low | 81.1 | Confident | 135 Ų | 135 | 91.3 Ų | 91.3 | 63% | 0.631 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -100.7 | -5.9 | 178 | -71.4 | 173.2 | -177.5 | 0 | 0 | 112.8 | R3 I243 I244 H245 | R3-E247 IonicContact NH2-OE1 3.93Å; I243-E247 PolarHBondContact O-N 2.73Å; I244-E247 PolarHBondContact O-N 2.67Å; I244-E247 VanDerWaalsContact O-N 3.14Å; H245-E247 VanDerWaalsContact C-N 3.29Å |
| 248 | T | 61.4 | Low | 80.2 | Confident | 161 Ų | 161 | 94.8 Ų | 94.8 | 99% | 0.988 | 48% | 0.482 | S | S | * | . | trans | -103.3 | 0 | 174 | 7.3 | 0 | 0 | 0 | 0 | 110.7 | I244 | I244-T248 PolarHBondContact O-N 3.02Å; I244-T248 PolarHBondContact O-OG1 3.21Å |
Retrieved 248 of 248 residues in 2134.6 ms
(Link to these results)