| 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 | 43.1 | Very low | 79.5 | Confident | 244 Ų | 244 | 102.5 Ų | 102.5 | 100% | 1.202 | 55% | 0.547 | S | S | * | . | 0 | 126.7 | 0 | -62.5 | -176.5 | -170.4 | 0 | 0 | 108.1 | N3 | M1-N3 PolarHBondContact O-N 3.4Š| |||
| 2 | A | 55.4 | Low | 80.8 | Confident | 98 Ų | 98 | 94.9 Ų | 94.9 | 81% | 0.81 | 51% | 0.507 | S | S | * | . | trans | -65.9 | 124.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | P4 | A2-P4 WeakPolarHBondContact O-CD 3.33Å; A2-P4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | N | 67.7 | Low | 81.9 | Confident | 92 Ų | 92 | 92.4 Ų | 92.4 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | trans | -65.6 | 109.9 | 177.6 | -174.9 | -11.4 | 0 | 0 | 0 | 108.4 | M1 L5 K6 | M1-N3 PolarHBondContact O-N 3.4Å; N3-L5 PolarHBondContact O-N 3.32Å; N3-L5 VanDerWaalsContact O-N 3.12Å; N3-L5 PolarHBondContact OD1-N 3.24Å; N3-K6 HydrophobicContact CB-CB 4.19Å; N3-K6 VanDerWaalsContact O-CB 3.31Å; N3-K6 WeakPolarHBondContact O-CB 3.43Å; N3-K6 PolarHBondContact O-N 3.29Å | ||
| 4 | P | 75.9 | Confident | 82.8 | Confident | 104 Ų | 104 | 95 Ų | 95 | 68% | 0.675 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.6 | -30.3 | -172.2 | 21.8 | -31.7 | 0 | 0 | 0 | 112.2 | A2 K6 | A2-P4 WeakPolarHBondContact O-CD 3.33Å; A2-P4 VanDerWaalsContact O-N 3.12Å; P4-K6 PolarHBondContact O-N 2.96Å |
| 5 | L | 84.1 | Confident | 83.7 | Confident | 16 Ų | 16 | 92.8 Ų | 92.8 | 8% | 0.084 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -73.9 | -23.5 | 179.6 | -59.8 | 175.2 | 0 | 0 | 0 | 113.4 | N3 G7 E8 V9 P47 I50 K51 | N3-L5 PolarHBondContact O-N 3.32Å; N3-L5 VanDerWaalsContact O-N 3.12Å; N3-L5 PolarHBondContact OD1-N 3.24Å; L5-G7 PolarHBondContact O-N 3.3Å; L5-E8 WeakPolarHBondContact O-CB 3.3Å; L5-E8 PolarHBondContact O-N 3.28Å; L5-E8 VanDerWaalsContact O-N 3.17Å; L5-V9 WeakPolarHBondContact O-CG2 3.47Å; L5-V9 PolarHBondContact O-N 3.41Å; L5-P47 HydrophobicContact CD1-CB 3.86Å; L5-I50 HydrophobicContact CB-CG2 3.98Å; L5-I50 HydrophobicContact CD1-CB 4.08Å; L5-I50 HydrophobicContact CD1-CD1 4.3Å; L5-I50 HydrophobicContact CD1-CG2 3.97Å; L5-I50 HydrophobicContact CG-CG2 4.46Å; L5-K51 HydrophobicContact CD2-CG 4.06Å |
| 6 | K | 86.6 | Confident | 84.4 | Confident | 158 Ų | 158 | 87.4 Ų | 87.4 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.3 | -35.7 | 179.8 | -171.9 | 177 | -179.2 | 179 | 0 | 111.6 | N3 P4 M10 | N3-K6 HydrophobicContact CB-CB 4.19Å; N3-K6 VanDerWaalsContact O-CB 3.31Å; N3-K6 WeakPolarHBondContact O-CB 3.43Å; N3-K6 PolarHBondContact O-N 3.29Å; P4-K6 PolarHBondContact O-N 2.96Å; K6-M10 WeakPolarHBondContact O-CB 3.12Å; K6-M10 PolarHBondContact O-N 2.96Å; K6-M10 VanDerWaalsContact O-N 3.08Å |
| 7 | G | 90.3 | Very high | 85 | Confident | 31 Ų | 31 | 85 Ų | 85 | 32% | 0.32 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L5 M10 R11 | L5-G7 PolarHBondContact O-N 3.3Å; G7-M10 PolarHBondContact O-N 3.39Å; G7-R11 WeakPolarHBondContact O-CG 3.43Å; G7-R11 PolarHBondContact O-N 2.88Å |
| 8 | E | 90.9 | Very high | 85.4 | Confident | 75 Ų | 75 | 88.7 Ų | 88.7 | 35% | 0.35 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.1 | -50.3 | 176.9 | -76.6 | 169 | -149.3 | 0 | 0 | 111.9 | L5 M10 R11 L12 | L5-E8 WeakPolarHBondContact O-CB 3.3Å; L5-E8 PolarHBondContact O-N 3.28Å; L5-E8 VanDerWaalsContact O-N 3.17Å; E8-M10 VanDerWaalsContact C-N 3.28Å; E8-M10 PolarHBondContact O-N 3.39Å; E8-R11 PolarHBondContact O-N 3.1Å; E8-R11 VanDerWaalsContact O-N 3.17Å; E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 PolarHBondContact O-N 3.35Å |
| 9 | V | 92.7 | Very high | 85.8 | Confident | 47 Ų | 47 | 85.4 Ų | 85.4 | 29% | 0.285 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 178.5 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | L5 L12 Y13 F38 I50 V54 | L5-V9 WeakPolarHBondContact O-CG2 3.47Å; L5-V9 PolarHBondContact O-N 3.41Å; V9-L12 PolarHBondContact O-N 2.92Å; V9-Y13 PolarHBondContact O-N 3.31Å; V9-F38 HydrophobicContact CG1-CD1 4.02Å; V9-F38 HydrophobicContact CG1-CE1 3.72Å; V9-I50 HydrophobicContact CG2-CG2 3.94Å; V9-V54 HydrophobicContact CG2-CG2 3.8Å |
| 10 | M | 93.2 | Very high | 86.1 | Confident | 111 Ų | 111 | 81.2 Ų | 81.2 | 55% | 0.547 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 178.2 | -171.3 | 174.8 | -172.1 | 0 | 0 | 112.5 | K6 G7 E8 K14 | K6-M10 WeakPolarHBondContact O-CB 3.12Å; K6-M10 PolarHBondContact O-N 2.96Å; K6-M10 VanDerWaalsContact O-N 3.08Å; G7-M10 PolarHBondContact O-N 3.39Å; E8-M10 VanDerWaalsContact C-N 3.28Å; E8-M10 PolarHBondContact O-N 3.39Å; M10-K14 WeakPolarHBondContact O-CG 3.38Å; M10-K14 PolarHBondContact O-N 3.37Å; M10-K14 VanDerWaalsContact O-N 3.17Å |
| 11 | R | 94.6 | Very high | 86.3 | Confident | 151 Ų | 151 | 85.2 Ų | 85.2 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.1 | -49.3 | 173.8 | -74.7 | -169.4 | -57.1 | -94.1 | 7.5 | 110.5 | G7 E8 Y13 K14 T15 | G7-R11 WeakPolarHBondContact O-CG 3.43Å; G7-R11 PolarHBondContact O-N 2.88Å; E8-R11 PolarHBondContact O-N 3.1Å; E8-R11 VanDerWaalsContact O-N 3.17Å; R11-Y13 VanDerWaalsContact C-N 3.32Å; R11-Y13 PolarHBondContact O-N 3.2Å; R11-K14 PolarHBondContact O-N 3.36Å; R11-K14 VanDerWaalsContact O-N 3.14Å; R11-T15 PolarHBondContact O-N 3.5Å; R11-T15 PolarHBondContact O-OG1 3.36Å; R11-T15 VanDerWaalsContact O-OG1 3.08Å |
| 12 | L | 95 | Very high | 88.3 | Confident | 12 Ų | 12 | 79 Ų | 79 | 6% | 0.063 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -54.8 | -47.2 | 178 | 177.8 | 65 | 0 | 0 | 0 | 111.9 | E8 V9 K14 T15 L16 F38 V54 I61 | E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 PolarHBondContact O-N 3.35Å; V9-L12 PolarHBondContact O-N 2.92Å; L12-K14 PolarHBondContact O-N 3.34Å; L12-T15 PolarHBondContact O-N 3.31Å; L12-L16 HydrophobicContact CD1-CD1 3.91Å; L12-L16 HydrophobicContact CD1-CG 4.19Å; L12-L16 HydrophobicContact CG-CD1 3.96Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 3.42Å; L12-F38 HydrophobicContact CD2-CZ 4.13Å; L12-F38 HydrophobicContact CG-CZ 4.16Å; L12-V54 HydrophobicContact CD2-CB 4.45Å; L12-V54 HydrophobicContact CD2-CG1 4.39Å; L12-V54 HydrophobicContact CD2-CG2 4.39Å; L12-I61 HydrophobicContact CD1-CD1 3.76Å |
| 13 | Y | 95 | Very high | 90 | Very high | 62 Ų | 62 | 77.5 Ų | 77.5 | 24% | 0.243 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 178 | -177.1 | -96.8 | 0 | 0 | 0 | 112.4 | V9 R11 L17 L34 F38 | V9-Y13 PolarHBondContact O-N 3.31Å; R11-Y13 VanDerWaalsContact C-N 3.32Å; R11-Y13 PolarHBondContact O-N 3.2Å; Y13-L17 HydrophobicContact CE1-CD2 4.34Å; Y13-L17 VanDerWaalsContact O-CB 3.27Å; Y13-L17 WeakPolarHBondContact O-CB 3.31Å; Y13-L17 PolarHBondContact O-N 3.47Å; Y13-L34 HydrophobicContact CD2-CD2 3.95Å; Y13-L34 HydrophobicContact CD2-CG 4.07Å; Y13-L34 HydrophobicContact CE2-CD2 3.76Å; Y13-L34 HydrophobicContact CE2-CG 3.86Å; Y13-F38 AromaticContact CD2-CD1 3.93Å; Y13-F38 HydrophobicContact CD2-CD1 3.93Å; Y13-F38 AromaticContact CD2-CD2 3.85Å; Y13-F38 HydrophobicContact CD2-CD2 3.85Å; Y13-F38 AromaticContact CD2-CE1 4Å; Y13-F38 HydrophobicContact CD2-CE1 4Å; Y13-F38 AromaticContact CD2-CE2 3.94Å; Y13-F38 HydrophobicContact CD2-CE2 3.94Å; Y13-F38 AromaticContact CD2-CG 3.85Å; Y13-F38 HydrophobicContact CD2-CG 3.85Å; Y13-F38 AromaticContact CD2-CZ 4Å; Y13-F38 HydrophobicContact CD2-CZ 4Å; Y13-F38 HydrophobicContact CE2-CD2 4.4Å; Y13-F38 HydrophobicContact CE2-CG 4.42Å; Y13-F38 HydrophobicContact CG-CE1 4.37Å; Y13-F38 HydrophobicContact CG-CZ 4.48Å |
| 14 | K | 95.3 | Very high | 91 | Very high | 129 Ų | 129 | 77.7 Ų | 77.7 | 56% | 0.561 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.4 | -42.4 | 178.4 | -73 | 179.8 | 177.4 | -176.9 | 0 | 111.8 | M10 R11 L12 L17 Y18 | M10-K14 WeakPolarHBondContact O-CG 3.38Å; M10-K14 PolarHBondContact O-N 3.37Å; M10-K14 VanDerWaalsContact O-N 3.17Å; R11-K14 PolarHBondContact O-N 3.36Å; R11-K14 VanDerWaalsContact O-N 3.14Å; L12-K14 PolarHBondContact O-N 3.34Å; K14-L17 PolarHBondContact O-N 3.25Å; K14-Y18 PolarHBondContact O-N 3.23Å |
| 15 | T | 95.3 | Very high | 91.6 | Very high | 62 Ų | 62 | 79.3 Ų | 79.3 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63 | -49 | 178 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | R11 L12 L17 Y18 L19 I61 | R11-T15 PolarHBondContact O-N 3.5Å; R11-T15 PolarHBondContact O-OG1 3.36Å; R11-T15 VanDerWaalsContact O-OG1 3.08Å; L12-T15 PolarHBondContact O-N 3.31Å; T15-L17 VanDerWaalsContact C-N 3.31Å; T15-L17 PolarHBondContact O-N 2.91Å; T15-Y18 PolarHBondContact O-N 3.04Å; T15-L19 HydrophobicContact CG2-CD1 4.04Å; T15-L19 WeakPolarHBondContact O-CG 3.2Å; T15-L19 PolarHBondContact O-N 3.48Å; T15-I61 HydrophobicContact CG2-CD1 3.63Å; T15-I61 HydrophobicContact CG2-CG1 4.33Å |
| 16 | L | 94.8 | Very high | 92 | Very high | 6 Ų | 6 | 80 Ų | 80 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62 | -39 | 176.5 | -75.1 | 170.4 | 0 | 0 | 0 | 112 | L12 Y18 L19 G20 F30 L34 F38 V60 I61 L64 | L12-L16 HydrophobicContact CD1-CD1 3.91Å; L12-L16 HydrophobicContact CD1-CG 4.19Å; L12-L16 HydrophobicContact CG-CD1 3.96Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 3.42Å; L16-Y18 VanDerWaalsContact C-N 3.33Å; L16-Y18 PolarHBondContact O-N 3.44Å; L16-L19 PolarHBondContact O-N 3.45Å; L16-G20 PolarHBondContact O-N 3.02Å; L16-F30 VanDerWaalsContact O-CE1 3.23Å; L16-F30 WeakPolarHBondContact O-CE1 3.38Å; L16-L34 HydrophobicContact CB-CD1 3.67Å; L16-L34 HydrophobicContact CB-CD2 4.04Å; L16-L34 HydrophobicContact CD1-CD1 3.65Å; L16-L34 HydrophobicContact CG-CD1 4.26Å; L16-F38 HydrophobicContact CD1-CE2 4.13Å; L16-F38 HydrophobicContact CD1-CZ 4.29Å; L16-V60 HydrophobicContact CD2-CB 4.42Å; L16-V60 HydrophobicContact CD2-CG1 3.97Å; L16-I61 HydrophobicContact CD2-CG1 3.61Å; L16-I61 HydrophobicContact CG-CG1 4.11Å; L16-L64 HydrophobicContact CD2-CD1 4.03Å |
| 17 | L | 94.5 | Very high | 92.2 | Very high | 47 Ų | 47 | 74.8 Ų | 74.8 | 25% | 0.246 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 177.1 | -173.7 | 66.4 | 0 | 0 | 0 | 112.3 | Y13 K14 T15 R31 L34 | Y13-L17 HydrophobicContact CE1-CD2 4.34Å; Y13-L17 VanDerWaalsContact O-CB 3.27Å; Y13-L17 WeakPolarHBondContact O-CB 3.31Å; Y13-L17 PolarHBondContact O-N 3.47Å; K14-L17 PolarHBondContact O-N 3.25Å; T15-L17 VanDerWaalsContact C-N 3.31Å; T15-L17 PolarHBondContact O-N 2.91Å; L17-R31 HydrophobicContact CD1-CB 4.02Å; L17-R31 HydrophobicContact CD1-CG 3.81Å; L17-L34 HydrophobicContact CB-CD2 4.01Å; L17-L34 HydrophobicContact CD1-CD2 4.28Å |
| 18 | Y | 93.7 | Very high | 92.4 | Very high | 151 Ų | 151 | 77 Ų | 77 | 59% | 0.592 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.3 | -51.3 | 174.4 | 176.1 | -101 | 0 | 0 | 0 | 111.1 | K14 T15 L16 G20 R21 | K14-Y18 PolarHBondContact O-N 3.23Å; T15-Y18 PolarHBondContact O-N 3.04Å; L16-Y18 VanDerWaalsContact C-N 3.33Å; L16-Y18 PolarHBondContact O-N 3.44Å; Y18-G20 PolarHBondContact O-N 3.46Å; Y18-R21 WeakPolarHBondContact O-CB 3.34Å; Y18-R21 WeakPolarHBondContact O-CG 3.38Å; Y18-R21 PolarHBondContact O-N 3.31Å |
| 19 | L | 92.1 | Very high | 92.5 | Very high | 26 Ų | 26 | 77.2 Ų | 77.2 | 14% | 0.136 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.1 | -24.7 | 177.9 | -68.4 | 174.4 | 0 | 0 | 0 | 112.6 | T15 L16 R21 I61 L64 Y68 | T15-L19 HydrophobicContact CG2-CD1 4.04Å; T15-L19 WeakPolarHBondContact O-CG 3.2Å; T15-L19 PolarHBondContact O-N 3.48Å; L16-L19 PolarHBondContact O-N 3.45Å; L19-R21 VanDerWaalsContact C-N 3.26Å; L19-R21 PolarHBondContact O-N 2.76Å; L19-I61 HydrophobicContact CD1-CB 4.2Å; L19-I61 HydrophobicContact CD1-CG1 4.02Å; L19-I61 HydrophobicContact CD1-CG2 3.68Å; L19-L64 HydrophobicContact CB-CD1 4.12Å; L19-Y68 WeakPolarHBondContact O-CE2 3.49Å; L19-Y68 PolarHBondContact O-OH 3.33Å |
| 20 | G | 91.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 76.1 Ų | 76.1 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -74.7 | -9.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L16 Y18 E22 Y23 F30 | L16-G20 PolarHBondContact O-N 3.02Å; Y18-G20 PolarHBondContact O-N 3.46Å; G20-E22 PolarHBondContact O-N 3.33Å; G20-Y23 WeakPolarHBondContact O-CB 3.39Å; G20-Y23 PolarHBondContact O-N 3.27Å; G20-F30 VanDerWaalsContact CA-CD1 3.43Å |
| 21 | R | 90.6 | Very high | 92.7 | Very high | 165 Ų | 165 | 77.8 Ų | 77.8 | 62% | 0.623 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -65.2 | -38.5 | -174.4 | -71 | 176.8 | 179.1 | -173.2 | -1 | 113.4 | Y18 L19 Y23 | Y18-R21 WeakPolarHBondContact O-CB 3.34Å; Y18-R21 WeakPolarHBondContact O-CG 3.38Å; Y18-R21 PolarHBondContact O-N 3.31Å; L19-R21 VanDerWaalsContact C-N 3.26Å; L19-R21 PolarHBondContact O-N 2.76Å; R21-Y23 VanDerWaalsContact C-N 3.31Å |
| 22 | E | 85.8 | Confident | 92.8 | Very high | 114 Ų | 114 | 77.5 Ų | 77.5 | 53% | 0.533 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -96.1 | 17.1 | 179.4 | -60 | -177.9 | -170.7 | 0 | 0 | 112.4 | G20 Y68 R71 | G20-E22 PolarHBondContact O-N 3.33Å; E22-Y68 VanDerWaalsContact C-OH 3.25Å; E22-Y68 WeakPolarHBondContact CA-OH 3.39Å; E22-Y68 HydrophobicContact CB-CE1 3.4Å; E22-Y68 VanDerWaalsContact CB-CE1 3.4Å; E22-Y68 VanDerWaalsContact CB-OH 3.3Å; E22-Y68 WeakPolarHBondContact CB-OH 3.07Å; E22-Y68 HydrophobicContact CG-CE1 4.41Å; E22-Y68 PolarHBondContact N-OH 3.44Å; E22-R71 IonicContact OE2-CZ 2.76Å; E22-R71 IonicContact OE2-NH2 3.99Å; E22-R71 PolarHBondContact OE2-NH2 3.04Å |
| 23 | Y | 90.4 | Very high | 92.7 | Very high | 66 Ų | 66 | 84.4 Ų | 84.4 | 26% | 0.259 | 40% | 0.402 | S | S | . | . | trans | -60.6 | 137.8 | 179 | -169.8 | -104.6 | 0 | 0 | 0 | 110.7 | G20 R21 K25 G26 Y29 F30 L64 L67 Y68 | G20-Y23 WeakPolarHBondContact O-CB 3.39Å; G20-Y23 PolarHBondContact O-N 3.27Å; R21-Y23 VanDerWaalsContact C-N 3.31Å; Y23-K25 HydrophobicContact CD1-CB 3.92Å; Y23-K25 HydrophobicContact CE1-CB 3.87Å; Y23-K25 HydrophobicContact CE1-CD 4.29Å; Y23-K25 HydrophobicContact CE1-CG 4.04Å; Y23-K25 PolarHBondContact O-N 2.85Å; Y23-G26 WeakPolarHBondContact O-CA 3.29Å; Y23-G26 PolarHBondContact O-N 3.48Å; Y23-Y29 HydrophobicContact CD1-CD1 4.32Å; Y23-Y29 HydrophobicContact CE1-CD1 4.01Å; Y23-Y29 HydrophobicContact CE1-CE1 4.17Å; Y23-F30 HydrophobicContact CD1-CB 4.24Å; Y23-F30 HydrophobicContact CD1-CD2 4.21Å; Y23-F30 AromaticContact CD2-CD2 3.74Å; Y23-F30 HydrophobicContact CD2-CD2 3.74Å; Y23-F30 HydrophobicContact CD2-CE2 4.24Å; Y23-F30 HydrophobicContact CE2-CD2 4.18Å; Y23-F30 HydrophobicContact CG-CB 4.2Å; Y23-F30 AromaticContact CG-CD2 3.76Å; Y23-F30 HydrophobicContact CG-CD2 3.76Å; Y23-F30 HydrophobicContact CG-CG 4.36Å; Y23-L64 HydrophobicContact CD2-CD2 3.9Å; Y23-L64 HydrophobicContact CE2-CD2 4.11Å; Y23-L67 HydrophobicContact CE2-CD2 4.38Å; Y23-Y68 PolarHBondContact N-OH 3.49Å | ||
| 24 | P | 88.4 | Confident | 92.7 | Very high | 96 Ų | 96 | 82.1 Ų | 82.1 | 62% | 0.623 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.1 | -171.9 | -28.4 | 35 | 0 | 0 | 0 | 115.6 | G26 L67 | P24-G26 VanDerWaalsContact C-N 3.31Å; P24-L67 HydrophobicContact CG-CD2 4.07Å |
| 25 | K | 89.8 | Confident | 92.7 | Very high | 138 Ų | 138 | 82 Ų | 82 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.7 | 177.1 | -62.6 | -173.6 | 173.8 | -175.5 | 0 | 113.8 | Y23 Y29 | Y23-K25 HydrophobicContact CD1-CB 3.92Å; Y23-K25 HydrophobicContact CE1-CB 3.87Å; Y23-K25 HydrophobicContact CE1-CD 4.29Å; Y23-K25 HydrophobicContact CE1-CG 4.04Å; Y23-K25 PolarHBondContact O-N 2.85Å; K25-Y29 HydrophobicContact CB-CD1 3.73Å; K25-Y29 HydrophobicContact CB-CE1 4.29Å; K25-Y29 HydrophobicContact CB-CG 3.92Å; K25-Y29 HydrophobicContact CD-CD1 4.02Å; K25-Y29 HydrophobicContact CD-CE1 3.69Å; K25-Y29 HydrophobicContact CD-CE2 4.34Å; K25-Y29 HydrophobicContact CD-CG 4.5Å; K25-Y29 HydrophobicContact CG-CD1 4.49Å |
| 26 | G | 91.3 | Very high | 92.8 | Very high | 32 Ų | 32 | 85.2 Ų | 85.2 | 33% | 0.33 | 40% | 0.404 | S | S | . | . | trans | 92.8 | 155.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y23 P24 A28 Y29 F30 | Y23-G26 WeakPolarHBondContact O-CA 3.29Å; Y23-G26 PolarHBondContact O-N 3.48Å; P24-G26 VanDerWaalsContact C-N 3.31Å; G26-A28 PolarHBondContact O-N 2.98Å; G26-Y29 PolarHBondContact O-N 3.11Å; G26-F30 PolarHBondContact O-N 3.2Å | ||
| 27 | A | 91.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 87.2 Ų | 87.2 | 39% | 0.388 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.9 | -36 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F30 R31 | A27-F30 PolarHBondContact O-N 2.92Å; A27-R31 VanDerWaalsContact O-CB 3.25Å; A27-R31 WeakPolarHBondContact O-CB 3.36Å; A27-R31 PolarHBondContact O-N 3.27Å |
| 28 | A | 93.2 | Very high | 92.7 | Very high | 78 Ų | 78 | 87.6 Ų | 87.6 | 65% | 0.645 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.2 | -47 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G26 F30 R31 E32 | G26-A28 PolarHBondContact O-N 2.98Å; A28-F30 VanDerWaalsContact C-N 3.34Å; A28-F30 PolarHBondContact O-N 3.08Å; A28-R31 PolarHBondContact O-N 3.3Å; A28-E32 PolarHBondContact O-N 3.33Å |
| 29 | Y | 94.1 | Very high | 92.7 | Very high | 79 Ų | 79 | 85.2 Ų | 85.2 | 31% | 0.31 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 176.2 | 179.6 | -88.7 | 0 | 0 | 0 | 111.5 | Y23 K25 G26 R33 | Y23-Y29 HydrophobicContact CD1-CD1 4.32Å; Y23-Y29 HydrophobicContact CE1-CD1 4.01Å; Y23-Y29 HydrophobicContact CE1-CE1 4.17Å; K25-Y29 HydrophobicContact CB-CD1 3.73Å; K25-Y29 HydrophobicContact CB-CE1 4.29Å; K25-Y29 HydrophobicContact CB-CG 3.92Å; K25-Y29 HydrophobicContact CD-CD1 4.02Å; K25-Y29 HydrophobicContact CD-CE1 3.69Å; K25-Y29 HydrophobicContact CD-CE2 4.34Å; K25-Y29 HydrophobicContact CD-CG 4.5Å; K25-Y29 HydrophobicContact CG-CD1 4.49Å; G26-Y29 PolarHBondContact O-N 3.11Å; Y29-R33 HydrophobicContact CE1-CG 4.16Å; Y29-R33 WeakPolarHBondContact O-CG 3.38Å; Y29-R33 PolarHBondContact O-N 3.03Å; Y29-R33 PolarHBondContact OH-NH2 3.08Å |
| 30 | F | 94.8 | Very high | 92.9 | Very high | 24 Ų | 24 | 92 Ų | 92 | 11% | 0.105 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 179 | -172.8 | -85.2 | 0 | 0 | 0 | 111.7 | L16 G20 Y23 G26 A27 A28 E32 R33 L34 L64 | L16-F30 VanDerWaalsContact O-CE1 3.23Å; L16-F30 WeakPolarHBondContact O-CE1 3.38Å; G20-F30 VanDerWaalsContact CA-CD1 3.43Å; Y23-F30 HydrophobicContact CD1-CB 4.24Å; Y23-F30 HydrophobicContact CD1-CD2 4.21Å; Y23-F30 AromaticContact CD2-CD2 3.74Å; Y23-F30 HydrophobicContact CD2-CD2 3.74Å; Y23-F30 HydrophobicContact CD2-CE2 4.24Å; Y23-F30 HydrophobicContact CE2-CD2 4.18Å; Y23-F30 HydrophobicContact CG-CB 4.2Å; Y23-F30 AromaticContact CG-CD2 3.76Å; Y23-F30 HydrophobicContact CG-CD2 3.76Å; Y23-F30 HydrophobicContact CG-CG 4.36Å; G26-F30 PolarHBondContact O-N 3.2Å; A27-F30 PolarHBondContact O-N 2.92Å; A28-F30 VanDerWaalsContact C-N 3.34Å; A28-F30 PolarHBondContact O-N 3.08Å; F30-E32 VanDerWaalsContact C-N 3.32Å; F30-E32 PolarHBondContact O-N 2.89Å; F30-R33 PolarHBondContact O-N 3.32Å; F30-L34 HydrophobicContact CD1-CB 4.37Å; F30-L34 HydrophobicContact CE1-CB 4.18Å; F30-L34 HydrophobicContact CE1-CD1 4.36Å; F30-L34 HydrophobicContact CE1-CD2 4.21Å; F30-L34 HydrophobicContact CE1-CG 4.49Å; F30-L34 WeakPolarHBondContact O-CB 3.31Å; F30-L34 PolarHBondContact O-N 3.47Å; F30-L64 HydrophobicContact CE2-CD1 3.96Å; F30-L64 HydrophobicContact CE2-CD2 4.03Å; F30-L64 HydrophobicContact CZ-CD1 3.75Å |
| 31 | R | 94.7 | Very high | 92.9 | Very high | 147 Ų | 147 | 95 Ų | 95 | 56% | 0.555 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.1 | -42.1 | -179.4 | 178.1 | 177.2 | 177.3 | 159.8 | -1 | 112.2 | L17 A27 A28 L34 K35 | L17-R31 HydrophobicContact CD1-CB 4.02Å; L17-R31 HydrophobicContact CD1-CG 3.81Å; A27-R31 VanDerWaalsContact O-CB 3.25Å; A27-R31 WeakPolarHBondContact O-CB 3.36Å; A27-R31 PolarHBondContact O-N 3.27Å; A28-R31 PolarHBondContact O-N 3.3Å; R31-L34 PolarHBondContact O-N 2.98Å; R31-K35 WeakPolarHBondContact O-CB 3.18Å; R31-K35 PolarHBondContact O-N 3.3Å |
| 32 | E | 96 | Very high | 92.9 | Very high | 144 Ų | 144 | 93.5 Ų | 93.5 | 67% | 0.673 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.2 | -47.2 | 178.5 | -169 | -174.1 | 174.6 | 0 | 0 | 111.4 | A28 F30 L34 K35 H36 | A28-E32 PolarHBondContact O-N 3.33Å; F30-E32 VanDerWaalsContact C-N 3.32Å; F30-E32 PolarHBondContact O-N 2.89Å; E32-L34 PolarHBondContact O-N 3.17Å; E32-K35 PolarHBondContact O-N 3.29Å; E32-H36 WeakPolarHBondContact O-CB 3.31Å; E32-H36 PolarHBondContact O-N 3.41Å |
| 33 | R | 94.6 | Very high | 93.1 | Very high | 158 Ų | 158 | 94.1 Ų | 94.1 | 60% | 0.596 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.7 | -42.8 | 176.9 | -68.1 | -69.6 | -169.1 | 159.3 | 0.3 | 112.3 | Y29 F30 H36 A37 | Y29-R33 HydrophobicContact CE1-CG 4.16Å; Y29-R33 WeakPolarHBondContact O-CG 3.38Å; Y29-R33 PolarHBondContact O-N 3.03Å; Y29-R33 PolarHBondContact OH-NH2 3.08Å; F30-R33 PolarHBondContact O-N 3.32Å; R33-H36 PolarHBondContact O-N 2.91Å; R33-A37 PolarHBondContact O-N 3.42Å |
| 34 | L | 94.9 | Very high | 93.1 | Very high | 13 Ų | 13 | 93.8 Ų | 93.8 | 7% | 0.068 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.3 | -51.4 | 175.5 | -176.8 | 70.8 | 0 | 0 | 0 | 110.3 | Y13 L16 L17 F30 R31 E32 H36 A37 F38 | Y13-L34 HydrophobicContact CD2-CD2 3.95Å; Y13-L34 HydrophobicContact CD2-CG 4.07Å; Y13-L34 HydrophobicContact CE2-CD2 3.76Å; Y13-L34 HydrophobicContact CE2-CG 3.86Å; L16-L34 HydrophobicContact CB-CD1 3.67Å; L16-L34 HydrophobicContact CB-CD2 4.04Å; L16-L34 HydrophobicContact CD1-CD1 3.65Å; L16-L34 HydrophobicContact CG-CD1 4.26Å; L17-L34 HydrophobicContact CB-CD2 4.01Å; L17-L34 HydrophobicContact CD1-CD2 4.28Å; F30-L34 HydrophobicContact CD1-CB 4.37Å; F30-L34 HydrophobicContact CE1-CB 4.18Å; F30-L34 HydrophobicContact CE1-CD1 4.36Å; F30-L34 HydrophobicContact CE1-CD2 4.21Å; F30-L34 HydrophobicContact CE1-CG 4.49Å; F30-L34 WeakPolarHBondContact O-CB 3.31Å; F30-L34 PolarHBondContact O-N 3.47Å; R31-L34 PolarHBondContact O-N 2.98Å; E32-L34 PolarHBondContact O-N 3.17Å; L34-H36 VanDerWaalsContact C-N 3.31Å; L34-H36 PolarHBondContact O-N 3.02Å; L34-A37 PolarHBondContact O-N 3.3Å; L34-F38 HydrophobicContact CD1-CD2 3.97Å; L34-F38 HydrophobicContact CD1-CE2 3.5Å; L34-F38 HydrophobicContact CG-CD2 4.22Å; L34-F38 HydrophobicContact CG-CE2 4.15Å; L34-F38 VanDerWaalsContact O-CD2 3.29Å; L34-F38 WeakPolarHBondContact O-CD2 3.5Å; L34-F38 PolarHBondContact O-N 3.41Å; L34-F38 VanDerWaalsContact O-N 3.11Å |
| 35 | K | 95 | Very high | 93.1 | Very high | 126 Ų | 126 | 95.1 Ų | 95.1 | 55% | 0.548 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 177.6 | -176.5 | -177.9 | 177.5 | -172.9 | 0 | 111 | R31 E32 A37 F38 M39 | R31-K35 WeakPolarHBondContact O-CB 3.18Å; R31-K35 PolarHBondContact O-N 3.3Å; E32-K35 PolarHBondContact O-N 3.29Å; K35-A37 VanDerWaalsContact C-N 3.34Å; K35-A37 PolarHBondContact O-N 3.02Å; K35-F38 PolarHBondContact O-N 3.12Å; K35-M39 HydrophobicContact CG-CG 4.13Å; K35-M39 WeakPolarHBondContact O-CB 3.47Å; K35-M39 WeakPolarHBondContact O-CG 3.36Å; K35-M39 PolarHBondContact O-N 2.95Å |
| 36 | H | 96 | Very high | 93.2 | Very high | 131 Ų | 131 | 91.5 Ų | 91.5 | 61% | 0.606 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.5 | -41.8 | 179.5 | -172.1 | -111.3 | 0 | 0 | 0 | 112.4 | E32 R33 L34 F38 M39 K40 | E32-H36 WeakPolarHBondContact O-CB 3.31Å; E32-H36 PolarHBondContact O-N 3.41Å; R33-H36 PolarHBondContact O-N 2.91Å; L34-H36 VanDerWaalsContact C-N 3.31Å; L34-H36 PolarHBondContact O-N 3.02Å; H36-F38 PolarHBondContact O-N 3.15Å; H36-M39 PolarHBondContact O-N 3.31Å; H36-K40 WeakPolarHBondContact O-CB 3.47Å; H36-K40 PolarHBondContact O-N 3.28Å |
| 37 | A | 94.1 | Very high | 93.1 | Very high | 48 Ų | 48 | 93.3 Ų | 93.3 | 40% | 0.397 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | R33 L34 K35 N41 | R33-A37 PolarHBondContact O-N 3.42Å; L34-A37 PolarHBondContact O-N 3.3Å; K35-A37 VanDerWaalsContact C-N 3.34Å; K35-A37 PolarHBondContact O-N 3.02Å; A37-N41 PolarHBondContact O-ND2 3.43Å |
| 38 | F | 94.4 | Very high | 93.1 | Very high | 55 Ų | 55 | 95.9 Ų | 95.9 | 24% | 0.241 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -71.7 | -40.4 | 176.2 | -81.8 | -107.4 | 0 | 0 | 0 | 111.6 | V9 L12 Y13 L16 L34 K35 H36 K40 N41 K42 | V9-F38 HydrophobicContact CG1-CD1 4.02Å; V9-F38 HydrophobicContact CG1-CE1 3.72Å; L12-F38 HydrophobicContact CD2-CZ 4.13Å; L12-F38 HydrophobicContact CG-CZ 4.16Å; Y13-F38 AromaticContact CD2-CD1 3.93Å; Y13-F38 HydrophobicContact CD2-CD1 3.93Å; Y13-F38 AromaticContact CD2-CD2 3.85Å; Y13-F38 HydrophobicContact CD2-CD2 3.85Å; Y13-F38 AromaticContact CD2-CE1 4Å; Y13-F38 HydrophobicContact CD2-CE1 4Å; Y13-F38 AromaticContact CD2-CE2 3.94Å; Y13-F38 HydrophobicContact CD2-CE2 3.94Å; Y13-F38 AromaticContact CD2-CG 3.85Å; Y13-F38 HydrophobicContact CD2-CG 3.85Å; Y13-F38 AromaticContact CD2-CZ 4Å; Y13-F38 HydrophobicContact CD2-CZ 4Å; Y13-F38 HydrophobicContact CE2-CD2 4.4Å; Y13-F38 HydrophobicContact CE2-CG 4.42Å; Y13-F38 HydrophobicContact CG-CE1 4.37Å; Y13-F38 HydrophobicContact CG-CZ 4.48Å; L16-F38 HydrophobicContact CD1-CE2 4.13Å; L16-F38 HydrophobicContact CD1-CZ 4.29Å; L34-F38 HydrophobicContact CD1-CD2 3.97Å; L34-F38 HydrophobicContact CD1-CE2 3.5Å; L34-F38 HydrophobicContact CG-CD2 4.22Å; L34-F38 HydrophobicContact CG-CE2 4.15Å; L34-F38 VanDerWaalsContact O-CD2 3.29Å; L34-F38 WeakPolarHBondContact O-CD2 3.5Å; L34-F38 PolarHBondContact O-N 3.41Å; L34-F38 VanDerWaalsContact O-N 3.11Å; K35-F38 PolarHBondContact O-N 3.12Å; H36-F38 PolarHBondContact O-N 3.15Å; F38-K40 VanDerWaalsContact C-N 3.3Å; F38-K40 PolarHBondContact O-N 3.28Å; F38-N41 PolarHBondContact O-N 3.44Å; F38-K42 PolarHBondContact O-N 3.45Å |
| 39 | M | 94.4 | Very high | 93.1 | Very high | 101 Ų | 101 | 96.6 Ų | 96.6 | 50% | 0.498 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.2 | -33.6 | 177.5 | -71.7 | -63.2 | -68.8 | 0 | 0 | 112.6 | K35 H36 N41 K42 | K35-M39 HydrophobicContact CG-CG 4.13Å; K35-M39 WeakPolarHBondContact O-CB 3.47Å; K35-M39 WeakPolarHBondContact O-CG 3.36Å; K35-M39 PolarHBondContact O-N 2.95Å; H36-M39 PolarHBondContact O-N 3.31Å; M39-N41 PolarHBondContact O-N 3.45Å; M39-K42 HydrophobicContact CE-CD 4.11Å; M39-K42 WeakPolarHBondContact O-CB 3.5Å; M39-K42 VanDerWaalsContact O-CG 3.3Å; M39-K42 WeakPolarHBondContact O-CG 3.48Å; M39-K42 PolarHBondContact O-N 2.88Å |
| 40 | K | 94.6 | Very high | 93 | Very high | 167 Ų | 167 | 94 Ų | 94 | 73% | 0.726 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.8 | -30.9 | 176.2 | -175.4 | 178.2 | 177.9 | -178.1 | 0 | 112.9 | H36 F38 | H36-K40 WeakPolarHBondContact O-CB 3.47Å; H36-K40 PolarHBondContact O-N 3.28Å; F38-K40 VanDerWaalsContact C-N 3.3Å; F38-K40 PolarHBondContact O-N 3.28Å |
| 41 | N | 91.3 | Very high | 92.9 | Very high | 66 Ų | 66 | 97.4 Ų | 97.4 | 35% | 0.353 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 16.6 | -177.2 | -57.4 | -69 | 0 | 0 | 0 | 112.6 | A37 F38 M39 D43 E44 L53 | A37-N41 PolarHBondContact O-ND2 3.43Å; F38-N41 PolarHBondContact O-N 3.44Å; M39-N41 PolarHBondContact O-N 3.45Å; N41-D43 VanDerWaalsContact C-N 3.25Å; N41-D43 PolarHBondContact O-N 3.42Å; N41-E44 WeakPolarHBondContact O-CB 3.46Å; N41-E44 PolarHBondContact O-N 2.98Å; N41-L53 HydrophobicContact CB-CD1 3.88Å |
| 42 | K | 90.5 | Very high | 92.8 | Very high | 134 Ų | 134 | 96.9 Ų | 96.9 | 58% | 0.583 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -29.3 | -173.3 | 74.6 | -179.3 | -173.8 | 168.4 | 0 | 113.7 | F38 M39 | F38-K42 PolarHBondContact O-N 3.45Å; M39-K42 HydrophobicContact CE-CD 4.11Å; M39-K42 WeakPolarHBondContact O-CB 3.5Å; M39-K42 VanDerWaalsContact O-CG 3.3Å; M39-K42 WeakPolarHBondContact O-CG 3.48Å; M39-K42 PolarHBondContact O-N 2.88Å |
| 43 | D | 90.3 | Very high | 92.7 | Very high | 126 Ų | 126 | 92.9 Ų | 92.9 | 67% | 0.674 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 2.5 | -174.7 | -56.4 | -51.9 | 0 | 0 | 0 | 111.8 | N41 T45 | N41-D43 VanDerWaalsContact C-N 3.25Å; N41-D43 PolarHBondContact O-N 3.42Å; D43-T45 PolarHBondContact O-N 3.38Å |
| 44 | E | 90.1 | Very high | 92.7 | Very high | 60 Ų | 60 | 86 Ų | 86 | 28% | 0.28 | 43% | 0.427 | S | S | . | . | trans | -73.9 | 121.8 | 177.2 | -172.9 | 59.7 | -99.3 | 0 | 0 | 110.1 | N41 D46 K49 I50 | N41-E44 WeakPolarHBondContact O-CB 3.46Å; N41-E44 PolarHBondContact O-N 2.98Å; E44-D46 WeakPolarHBondContact OE1-CB 3.23Å; E44-D46 PolarHBondContact OE1-N 2.9Å; E44-K49 VanDerWaalsContact CD-CD 3.42Å; E44-K49 HydrophobicContact CG-CB 4.03Å; E44-K49 HydrophobicContact CG-CD 4.33Å; E44-K49 IonicContact OE1-NZ 3.71Å; E44-K49 WeakPolarHBondContact OE2-CD 3.35Å; E44-K49 IonicContact OE2-NZ 3.4Å; E44-K49 PolarHBondContact OE2-NZ 3.34Å; E44-I50 HydrophobicContact CG-CG1 4.29Å | ||
| 45 | T | 88.5 | Confident | 92.7 | Very high | 124 Ų | 124 | 87.5 Ų | 87.5 | 76% | 0.761 | 44% | 0.441 | S | S | * | . | trans | -111.7 | -11.9 | -177.9 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | D43 P47 | D43-T45 PolarHBondContact O-N 3.38Å; T45-P47 VanDerWaalsContact O-CD 3.31Å; T45-P47 WeakPolarHBondContact O-CD 3.46Å | ||
| 46 | D | 91.6 | Very high | 92.6 | Very high | 61 Ų | 61 | 90.1 Ų | 90.1 | 33% | 0.326 | 45% | 0.448 | S | S | . | . | trans | -71.4 | 116.7 | -179.6 | -178.3 | -2.8 | 0 | 0 | 0 | 111 | E44 E48 K49 I50 | E44-D46 WeakPolarHBondContact OE1-CB 3.23Å; E44-D46 PolarHBondContact OE1-N 2.9Å; D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 3.4Å; D46-E48 PolarHBondContact OD1-N 2.95Å; D46-E48 VanDerWaalsContact OD1-N 3.1Å; D46-K49 HydrophobicContact CB-CB 4.14Å; D46-K49 HydrophobicContact CB-CD 4Å; D46-K49 HydrophobicContact CB-CG 4.16Å; D46-K49 PolarHBondContact O-N 3.14Å; D46-K49 WeakPolarHBondContact OD2-CG 3.32Å; D46-I50 VanDerWaalsContact O-CG1 3.28Å; D46-I50 WeakPolarHBondContact O-CG1 3.25Å; D46-I50 PolarHBondContact O-N 2.97Å | ||
| 47 | P | 90.2 | Very high | 92.5 | Very high | 70 Ų | 70 | 84.3 Ų | 84.3 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -56.6 | -37.3 | -179.5 | -25.7 | 35.8 | 0 | 0 | 0 | 114.1 | L5 T45 I50 K51 | L5-P47 HydrophobicContact CD1-CB 3.86Å; T45-P47 VanDerWaalsContact O-CD 3.31Å; T45-P47 WeakPolarHBondContact O-CD 3.46Å; P47-I50 PolarHBondContact O-N 3.31Å; P47-K51 WeakPolarHBondContact O-CG 3.27Å; P47-K51 PolarHBondContact O-N 2.92Å; P47-K51 VanDerWaalsContact O-N 3.08Å |
| 48 | E | 91.8 | Very high | 92.6 | Very high | 102 Ų | 102 | 85.6 Ų | 85.6 | 48% | 0.477 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.9 | -41.5 | -177.1 | -73.7 | -56.4 | 129 | 0 | 0 | 111.3 | D46 I50 K51 Q52 | D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 3.4Å; D46-E48 PolarHBondContact OD1-N 2.95Å; D46-E48 VanDerWaalsContact OD1-N 3.1Å; E48-I50 VanDerWaalsContact C-N 3.34Å; E48-I50 PolarHBondContact O-N 2.92Å; E48-K51 PolarHBondContact O-N 3.36Å; E48-K51 IonicContact OE1-NZ 2.78Å; E48-K51 PolarHBondContact OE1-NZ 3.42Å; E48-Q52 WeakPolarHBondContact O-CG 3.48Å; E48-Q52 PolarHBondContact O-N 2.9Å |
| 49 | K | 92.3 | Very high | 92.6 | Very high | 93 Ų | 93 | 88.5 Ų | 88.5 | 40% | 0.404 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 173.1 | -70 | 179.6 | -168.1 | 167.7 | 0 | 112.3 | E44 D46 K51 Q52 L53 | E44-K49 VanDerWaalsContact CD-CD 3.42Å; E44-K49 HydrophobicContact CG-CB 4.03Å; E44-K49 HydrophobicContact CG-CD 4.33Å; E44-K49 IonicContact OE1-NZ 3.71Å; E44-K49 WeakPolarHBondContact OE2-CD 3.35Å; E44-K49 IonicContact OE2-NZ 3.4Å; E44-K49 PolarHBondContact OE2-NZ 3.34Å; D46-K49 HydrophobicContact CB-CB 4.14Å; D46-K49 HydrophobicContact CB-CD 4Å; D46-K49 HydrophobicContact CB-CG 4.16Å; D46-K49 PolarHBondContact O-N 3.14Å; D46-K49 WeakPolarHBondContact OD2-CG 3.32Å; K49-K51 VanDerWaalsContact C-N 3.33Å; K49-K51 PolarHBondContact O-N 3.17Å; K49-Q52 PolarHBondContact O-N 3.17Å; K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.01Å |
| 50 | I | 92.1 | Very high | 92.6 | Very high | 23 Ų | 23 | 86 Ų | 86 | 12% | 0.118 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 176.2 | -67.7 | 165 | 0 | 0 | 0 | 110.1 | L5 V9 E44 D46 P47 E48 Q52 L53 V54 | L5-I50 HydrophobicContact CB-CG2 3.98Å; L5-I50 HydrophobicContact CD1-CB 4.08Å; L5-I50 HydrophobicContact CD1-CD1 4.3Å; L5-I50 HydrophobicContact CD1-CG2 3.97Å; L5-I50 HydrophobicContact CG-CG2 4.46Å; V9-I50 HydrophobicContact CG2-CG2 3.94Å; E44-I50 HydrophobicContact CG-CG1 4.29Å; D46-I50 VanDerWaalsContact O-CG1 3.28Å; D46-I50 WeakPolarHBondContact O-CG1 3.25Å; D46-I50 PolarHBondContact O-N 2.97Å; P47-I50 PolarHBondContact O-N 3.31Å; E48-I50 VanDerWaalsContact C-N 3.34Å; E48-I50 PolarHBondContact O-N 2.92Å; I50-Q52 VanDerWaalsContact C-N 3.35Å; I50-Q52 PolarHBondContact O-N 2.98Å; I50-L53 PolarHBondContact O-N 3.32Å; I50-V54 HydrophobicContact CG2-CG2 4.39Å; I50-V54 VanDerWaalsContact O-CG2 3.31Å; I50-V54 WeakPolarHBondContact O-CG2 3.48Å; I50-V54 PolarHBondContact O-N 3.08Å |
| 51 | K | 92.8 | Very high | 92.5 | Very high | 97 Ų | 97 | 79.1 Ų | 79.1 | 42% | 0.422 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.5 | -70.5 | 171.8 | -172.2 | 169.7 | 0 | 112.2 | L5 P47 E48 K49 L53 V54 A55 | L5-K51 HydrophobicContact CD2-CG 4.06Å; P47-K51 WeakPolarHBondContact O-CG 3.27Å; P47-K51 PolarHBondContact O-N 2.92Å; P47-K51 VanDerWaalsContact O-N 3.08Å; E48-K51 PolarHBondContact O-N 3.36Å; E48-K51 IonicContact OE1-NZ 2.78Å; E48-K51 PolarHBondContact OE1-NZ 3.42Å; K49-K51 VanDerWaalsContact C-N 3.33Å; K49-K51 PolarHBondContact O-N 3.17Å; K51-L53 VanDerWaalsContact C-N 3.35Å; K51-L53 PolarHBondContact O-N 3.49Å; K51-V54 PolarHBondContact O-N 3.43Å; K51-A55 WeakPolarHBondContact O-CB 3.38Å; K51-A55 PolarHBondContact O-N 3.13Å |
| 52 | Q | 94.2 | Very high | 92.7 | Very high | 136 Ų | 136 | 82.5 Ų | 82.5 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 176.8 | -70 | 175.9 | 11.6 | 0 | 0 | 112.2 | E48 K49 I50 A55 R56 | E48-Q52 WeakPolarHBondContact O-CG 3.48Å; E48-Q52 PolarHBondContact O-N 2.9Å; K49-Q52 PolarHBondContact O-N 3.17Å; I50-Q52 VanDerWaalsContact C-N 3.35Å; I50-Q52 PolarHBondContact O-N 2.98Å; Q52-A55 PolarHBondContact O-N 3.36Å; Q52-R56 WeakPolarHBondContact O-CB 3.45Å; Q52-R56 PolarHBondContact O-N 3.46Å |
| 53 | L | 94.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 82.3 Ų | 82.3 | 31% | 0.309 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 176 | -71.5 | 171.9 | 0 | 0 | 0 | 112.1 | N41 K49 I50 K51 R56 G57 | N41-L53 HydrophobicContact CB-CD1 3.88Å; K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.01Å; I50-L53 PolarHBondContact O-N 3.32Å; K51-L53 VanDerWaalsContact C-N 3.35Å; K51-L53 PolarHBondContact O-N 3.49Å; L53-R56 WeakPolarHBondContact O-CB 3.49Å; L53-R56 PolarHBondContact O-N 3.07Å; L53-G57 PolarHBondContact O-N 3.16Å |
| 54 | V | 93.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 76.8 Ų | 76.8 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 174.5 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | V9 L12 I50 K51 R56 G57 D58 | V9-V54 HydrophobicContact CG2-CG2 3.8Å; L12-V54 HydrophobicContact CD2-CB 4.45Å; L12-V54 HydrophobicContact CD2-CG1 4.39Å; L12-V54 HydrophobicContact CD2-CG2 4.39Å; I50-V54 HydrophobicContact CG2-CG2 4.39Å; I50-V54 VanDerWaalsContact O-CG2 3.31Å; I50-V54 WeakPolarHBondContact O-CG2 3.48Å; I50-V54 PolarHBondContact O-N 3.08Å; K51-V54 PolarHBondContact O-N 3.43Å; V54-R56 VanDerWaalsContact C-N 3.28Å; V54-R56 PolarHBondContact O-N 3.31Å; V54-G57 CarbonylContact O-C 3.59Å; V54-G57 WeakPolarHBondContact O-CA 3.48Å; V54-G57 PolarHBondContact O-N 2.83Å; V54-D58 PolarHBondContact O-N 3.14Å |
| 55 | A | 94.5 | Very high | 93 | Very high | 44 Ų | 44 | 78 Ų | 78 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.1 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K51 Q52 G57 D58 H59 | K51-A55 WeakPolarHBondContact O-CB 3.38Å; K51-A55 PolarHBondContact O-N 3.13Å; Q52-A55 PolarHBondContact O-N 3.36Å; A55-G57 VanDerWaalsContact C-N 3.29Å; A55-G57 PolarHBondContact O-N 3.05Å; A55-D58 WeakPolarHBondContact O-CB 3.4Å; A55-D58 PolarHBondContact O-N 3.07Å; A55-D58 VanDerWaalsContact O-N 3.16Å; A55-H59 PolarHBondContact O-CD2 2.8Å; A55-H59 PolarHBondContact O-N 3.02Å |
| 56 | R | 94.3 | Very high | 93.2 | Very high | 181 Ų | 181 | 74.8 Ų | 74.8 | 68% | 0.683 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.8 | -40.3 | 172.5 | -175.7 | 178.9 | 178.2 | 170.1 | 3.4 | 111.9 | Q52 L53 V54 D58 H59 V60 | Q52-R56 WeakPolarHBondContact O-CB 3.45Å; Q52-R56 PolarHBondContact O-N 3.46Å; L53-R56 WeakPolarHBondContact O-CB 3.49Å; L53-R56 PolarHBondContact O-N 3.07Å; V54-R56 VanDerWaalsContact C-N 3.28Å; V54-R56 PolarHBondContact O-N 3.31Å; R56-D58 VanDerWaalsContact C-N 3.33Å; R56-H59 WeakPolarHBondContact O-CB 3.45Å; R56-H59 PolarHBondContact O-N 3.38Å; R56-V60 WeakPolarHBondContact O-CG2 3.45Å; R56-V60 PolarHBondContact O-N 3.13Å; R56-V60 VanDerWaalsContact O-N 3.15Å |
| 57 | G | 94.3 | Very high | 93.2 | Very high | 9 Ų | 9 | 75 Ų | 75 | 9% | 0.093 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.2 | -40 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L53 V54 A55 H59 V60 I61 | L53-G57 PolarHBondContact O-N 3.16Å; V54-G57 CarbonylContact O-C 3.59Å; V54-G57 WeakPolarHBondContact O-CA 3.48Å; V54-G57 PolarHBondContact O-N 2.83Å; A55-G57 VanDerWaalsContact C-N 3.29Å; A55-G57 PolarHBondContact O-N 3.05Å; G57-H59 VanDerWaalsContact C-N 3.31Å; G57-H59 PolarHBondContact O-N 3.38Å; G57-V60 WeakPolarHBondContact O-CB 3.41Å; G57-V60 PolarHBondContact O-N 3.45Å; G57-V60 VanDerWaalsContact O-N 3.14Å; G57-I61 PolarHBondContact O-N 2.98Å |
| 58 | D | 94.4 | Very high | 93.2 | Very high | 75 Ų | 75 | 73.1 Ų | 73.1 | 40% | 0.401 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.8 | -33.8 | 176.2 | -65.7 | -32.9 | 0 | 0 | 0 | 112.3 | V54 A55 R56 I61 K62 | V54-D58 PolarHBondContact O-N 3.14Å; A55-D58 WeakPolarHBondContact O-CB 3.4Å; A55-D58 PolarHBondContact O-N 3.07Å; A55-D58 VanDerWaalsContact O-N 3.16Å; R56-D58 VanDerWaalsContact C-N 3.33Å; D58-I61 WeakPolarHBondContact O-CB 3.45Å; D58-I61 PolarHBondContact O-N 3.44Å; D58-K62 PolarHBondContact O-N 3.25Å |
| 59 | H | 95.3 | Very high | 93.1 | Very high | 116 Ų | 116 | 75 Ų | 75 | 54% | 0.537 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 170 | -76.7 | -74.9 | 0 | 0 | 0 | 112 | A55 R56 G57 I61 K62 E63 | A55-H59 PolarHBondContact O-CD2 2.8Å; A55-H59 PolarHBondContact O-N 3.02Å; R56-H59 WeakPolarHBondContact O-CB 3.45Å; R56-H59 PolarHBondContact O-N 3.38Å; G57-H59 VanDerWaalsContact C-N 3.31Å; G57-H59 PolarHBondContact O-N 3.38Å; H59-I61 VanDerWaalsContact C-N 3.27Å; H59-I61 PolarHBondContact O-N 3.21Å; H59-K62 WeakPolarHBondContact O-CB 3.21Å; H59-K62 PolarHBondContact O-N 3.46Å; H59-K62 VanDerWaalsContact O-N 3.13Å; H59-E63 PolarHBondContact O-N 3.27Å |
| 60 | V | 93.6 | Very high | 93.1 | Very high | 49 Ų | 49 | 74 Ų | 74 | 30% | 0.297 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 177.1 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | L16 R56 G57 K62 E63 L64 | L16-V60 HydrophobicContact CD2-CB 4.42Å; L16-V60 HydrophobicContact CD2-CG1 3.97Å; R56-V60 WeakPolarHBondContact O-CG2 3.45Å; R56-V60 PolarHBondContact O-N 3.13Å; R56-V60 VanDerWaalsContact O-N 3.15Å; G57-V60 WeakPolarHBondContact O-CB 3.41Å; G57-V60 PolarHBondContact O-N 3.45Å; G57-V60 VanDerWaalsContact O-N 3.14Å; V60-K62 PolarHBondContact O-N 2.92Å; V60-E63 PolarHBondContact O-N 3.47Å; V60-L64 HydrophobicContact CG1-CD1 4.32Å; V60-L64 WeakPolarHBondContact O-CG 3.33Å; V60-L64 PolarHBondContact O-N 3.2Å |
| 61 | I | 94.3 | Very high | 93 | Very high | 22 Ų | 22 | 79.2 Ų | 79.2 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.9 | -49.8 | 172.6 | -73.4 | 172.9 | 0 | 0 | 0 | 110.5 | L12 T15 L16 L19 G57 D58 H59 E63 L64 E65 | L12-I61 HydrophobicContact CD1-CD1 3.76Å; T15-I61 HydrophobicContact CG2-CD1 3.63Å; T15-I61 HydrophobicContact CG2-CG1 4.33Å; L16-I61 HydrophobicContact CD2-CG1 3.61Å; L16-I61 HydrophobicContact CG-CG1 4.11Å; L19-I61 HydrophobicContact CD1-CB 4.2Å; L19-I61 HydrophobicContact CD1-CG1 4.02Å; L19-I61 HydrophobicContact CD1-CG2 3.68Å; G57-I61 PolarHBondContact O-N 2.98Å; D58-I61 WeakPolarHBondContact O-CB 3.45Å; D58-I61 PolarHBondContact O-N 3.44Å; H59-I61 VanDerWaalsContact C-N 3.27Å; H59-I61 PolarHBondContact O-N 3.21Å; I61-E63 VanDerWaalsContact C-N 3.31Å; I61-E63 PolarHBondContact O-N 3.25Å; I61-L64 WeakPolarHBondContact O-CB 3.41Å; I61-L64 PolarHBondContact O-N 3.41Å; I61-L64 VanDerWaalsContact O-N 3.16Å; I61-E65 WeakPolarHBondContact O-CG 3.3Å; I61-E65 PolarHBondContact O-N 3.38Å |
| 62 | K | 94.6 | Very high | 92.9 | Very high | 137 Ų | 137 | 81.2 Ų | 81.2 | 60% | 0.596 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.5 | -37.4 | 179.6 | -66.1 | 178.5 | -178.7 | 178.4 | 0 | 112.4 | D58 H59 V60 E65 A66 | D58-K62 PolarHBondContact O-N 3.25Å; H59-K62 WeakPolarHBondContact O-CB 3.21Å; H59-K62 PolarHBondContact O-N 3.46Å; H59-K62 VanDerWaalsContact O-N 3.13Å; V60-K62 PolarHBondContact O-N 2.92Å; K62-E65 PolarHBondContact O-N 2.97Å; K62-A66 WeakPolarHBondContact O-CB 3.41Å; K62-A66 PolarHBondContact O-N 3.38Å |
| 63 | E | 93 | Very high | 92.9 | Very high | 130 Ų | 130 | 80.7 Ų | 80.7 | 61% | 0.607 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | 175 | -69.3 | 177.5 | 166.7 | 0 | 0 | 112 | H59 V60 I61 A66 L67 | H59-E63 PolarHBondContact O-N 3.27Å; V60-E63 PolarHBondContact O-N 3.47Å; I61-E63 VanDerWaalsContact C-N 3.31Å; I61-E63 PolarHBondContact O-N 3.25Å; E63-A66 PolarHBondContact O-N 3.16Å; E63-L67 PolarHBondContact O-N 2.92Å |
| 64 | L | 91.8 | Very high | 92.7 | Very high | 10 Ų | 10 | 85.9 Ų | 85.9 | 5% | 0.052 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 175.6 | -71.3 | 171.6 | 0 | 0 | 0 | 111.5 | L16 L19 Y23 F30 V60 I61 L67 Y68 | L16-L64 HydrophobicContact CD2-CD1 4.03Å; L19-L64 HydrophobicContact CB-CD1 4.12Å; Y23-L64 HydrophobicContact CD2-CD2 3.9Å; Y23-L64 HydrophobicContact CE2-CD2 4.11Å; F30-L64 HydrophobicContact CE2-CD1 3.96Å; F30-L64 HydrophobicContact CE2-CD2 4.03Å; F30-L64 HydrophobicContact CZ-CD1 3.75Å; V60-L64 HydrophobicContact CG1-CD1 4.32Å; V60-L64 WeakPolarHBondContact O-CG 3.33Å; V60-L64 PolarHBondContact O-N 3.2Å; I61-L64 WeakPolarHBondContact O-CB 3.41Å; I61-L64 PolarHBondContact O-N 3.41Å; I61-L64 VanDerWaalsContact O-N 3.16Å; L64-L67 WeakPolarHBondContact O-CB 3.46Å; L64-L67 PolarHBondContact O-N 3.41Å; L64-Y68 HydrophobicContact CB-CE2 4.44Å; L64-Y68 WeakPolarHBondContact O-CD2 3.49Å; L64-Y68 PolarHBondContact O-N 2.49Å |
| 65 | E | 91.8 | Very high | 92.6 | Very high | 84 Ų | 84 | 87.5 Ų | 87.5 | 39% | 0.393 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 174.4 | -71.2 | 176.4 | 164 | 0 | 0 | 111.9 | I61 K62 L67 Y68 F69 | I61-E65 WeakPolarHBondContact O-CG 3.3Å; I61-E65 PolarHBondContact O-N 3.38Å; K62-E65 PolarHBondContact O-N 2.97Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 3.45Å; E65-Y68 WeakPolarHBondContact O-CA 3.47Å; E65-Y68 WeakPolarHBondContact O-CB 3.01Å; E65-Y68 PolarHBondContact O-N 2.97Å; E65-F69 HydrophobicContact CB-CE2 4.29Å; E65-F69 WeakPolarHBondContact O-CD2 3.5Å; E65-F69 PolarHBondContact O-N 2.89Å |
| 66 | A | 93.3 | Very high | 92.5 | Very high | 57 Ų | 57 | 90 Ų | 90 | 47% | 0.471 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K62 E63 Y68 F69 L70 | K62-A66 WeakPolarHBondContact O-CB 3.41Å; K62-A66 PolarHBondContact O-N 3.38Å; E63-A66 PolarHBondContact O-N 3.16Å; A66-Y68 VanDerWaalsContact C-N 3.31Å; A66-Y68 PolarHBondContact O-N 2.99Å; A66-F69 PolarHBondContact O-N 3.31Å; A66-L70 WeakPolarHBondContact O-CB 3.36Å; A66-L70 PolarHBondContact O-N 3.45Å |
| 67 | L | 91.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 86.4 Ų | 86.4 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 174.2 | -173.8 | 68.9 | 0 | 0 | 0 | 111.6 | Y23 P24 E63 L64 E65 L70 R71 | Y23-L67 HydrophobicContact CE2-CD2 4.38Å; P24-L67 HydrophobicContact CG-CD2 4.07Å; E63-L67 PolarHBondContact O-N 2.92Å; L64-L67 WeakPolarHBondContact O-CB 3.46Å; L64-L67 PolarHBondContact O-N 3.41Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 3.45Å; L67-L70 PolarHBondContact O-N 3.07Å; L67-R71 WeakPolarHBondContact O-CB 3.48Å; L67-R71 PolarHBondContact O-N 2.78Å |
| 68 | Y | 90.1 | Very high | 92.2 | Very high | 31 Ų | 31 | 93.1 Ų | 93.1 | 12% | 0.122 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 174.7 | -74.6 | -55.1 | 0 | 0 | 0 | 112.6 | L19 E22 Y23 L64 E65 A66 R71 K72 | L19-Y68 WeakPolarHBondContact O-CE2 3.49Å; L19-Y68 PolarHBondContact O-OH 3.33Å; E22-Y68 VanDerWaalsContact C-OH 3.25Å; E22-Y68 WeakPolarHBondContact CA-OH 3.39Å; E22-Y68 HydrophobicContact CB-CE1 3.4Å; E22-Y68 VanDerWaalsContact CB-CE1 3.4Å; E22-Y68 VanDerWaalsContact CB-OH 3.3Å; E22-Y68 WeakPolarHBondContact CB-OH 3.07Å; E22-Y68 HydrophobicContact CG-CE1 4.41Å; E22-Y68 PolarHBondContact N-OH 3.44Å; Y23-Y68 PolarHBondContact N-OH 3.49Å; L64-Y68 HydrophobicContact CB-CE2 4.44Å; L64-Y68 WeakPolarHBondContact O-CD2 3.49Å; L64-Y68 PolarHBondContact O-N 2.49Å; E65-Y68 WeakPolarHBondContact O-CA 3.47Å; E65-Y68 WeakPolarHBondContact O-CB 3.01Å; E65-Y68 PolarHBondContact O-N 2.97Å; A66-Y68 VanDerWaalsContact C-N 3.31Å; A66-Y68 PolarHBondContact O-N 2.99Å; Y68-R71 PolarHBondContact O-N 3.04Å; Y68-K72 WeakPolarHBondContact O-CG 3.45Å; Y68-K72 PolarHBondContact O-N 3.41Å |
| 69 | F | 91 | Very high | 92 | Very high | 141 Ų | 141 | 99.4 Ų | 99.4 | 62% | 0.618 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.8 | -43.6 | 176.2 | -70.2 | -59 | 0 | 0 | 0 | 111.8 | E65 A66 R71 K72 Y73 | E65-F69 HydrophobicContact CB-CE2 4.29Å; E65-F69 WeakPolarHBondContact O-CD2 3.5Å; E65-F69 PolarHBondContact O-N 2.89Å; A66-F69 PolarHBondContact O-N 3.31Å; F69-R71 VanDerWaalsContact C-N 3.33Å; F69-R71 PolarHBondContact O-N 3.41Å; F69-K72 PolarHBondContact O-N 2.93Å; F69-Y73 WeakPolarHBondContact O-CB 3.31Å; F69-Y73 PolarHBondContact O-N 3.27Å |
| 70 | L | 91.8 | Very high | 91.7 | Very high | 74 Ų | 74 | 102.3 Ų | 102.3 | 39% | 0.387 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 177.5 | -176.7 | 63 | 0 | 0 | 0 | 111.8 | A66 L67 Y73 R74 | A66-L70 WeakPolarHBondContact O-CB 3.36Å; A66-L70 PolarHBondContact O-N 3.45Å; L67-L70 PolarHBondContact O-N 3.07Å; L70-Y73 PolarHBondContact O-N 2.98Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 VanDerWaalsContact O-CG 3.31Å; L70-R74 WeakPolarHBondContact O-CG 3.41Å; L70-R74 PolarHBondContact O-N 2.91Å |
| 71 | R | 89.8 | Confident | 91.2 | Very high | 131 Ų | 131 | 108.2 Ų | 108.2 | 49% | 0.494 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 176.1 | -172.7 | 175.7 | 71.7 | 132.5 | -3.3 | 111.5 | E22 L67 Y68 F69 R74 A75 | E22-R71 IonicContact OE2-CZ 2.76Å; E22-R71 IonicContact OE2-NH2 3.99Å; E22-R71 PolarHBondContact OE2-NH2 3.04Å; L67-R71 WeakPolarHBondContact O-CB 3.48Å; L67-R71 PolarHBondContact O-N 2.78Å; Y68-R71 PolarHBondContact O-N 3.04Å; F69-R71 VanDerWaalsContact C-N 3.33Å; F69-R71 PolarHBondContact O-N 3.41Å; R71-R74 PolarHBondContact O-N 3.48Å; R71-A75 PolarHBondContact O-N 3.42Å |
| 72 | K | 90.5 | Very high | 90.1 | Very high | 140 Ų | 140 | 112.7 Ų | 112.7 | 61% | 0.609 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.1 | -46.3 | 176.3 | -74.3 | -179.9 | 178.7 | 180 | 0 | 111.4 | Y68 F69 R74 A75 M76 | Y68-K72 WeakPolarHBondContact O-CG 3.45Å; Y68-K72 PolarHBondContact O-N 3.41Å; F69-K72 PolarHBondContact O-N 2.93Å; K72-R74 PolarHBondContact O-N 2.81Å; K72-A75 PolarHBondContact O-N 2.85Å; K72-M76 WeakPolarHBondContact O-CB 3.41Å; K72-M76 PolarHBondContact O-N 3.36Å |
| 73 | Y | 93.8 | Very high | 88.5 | Confident | 125 Ų | 125 | 111.6 Ų | 111.6 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.9 | 174.2 | -100.7 | 0 | 0 | 0 | 112 | F69 L70 A75 M76 K77 | F69-Y73 WeakPolarHBondContact O-CB 3.31Å; F69-Y73 PolarHBondContact O-N 3.27Å; L70-Y73 PolarHBondContact O-N 2.98Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A75 PolarHBondContact O-N 3.24Å; Y73-M76 HydrophobicContact CD2-CE 4.21Å; Y73-M76 PolarHBondContact O-N 3.07Å; Y73-K77 HydrophobicContact CE1-CD 4.29Å; Y73-K77 WeakPolarHBondContact O-CB 3.48Å; Y73-K77 PolarHBondContact O-N 3.4Å |
| 74 | R | 90.5 | Very high | 86.9 | Confident | 167 Ų | 167 | 113.9 Ų | 113.9 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.4 | -42.6 | 176.6 | -74.6 | 175.8 | 179.1 | 178.9 | -0.3 | 112.3 | L70 R71 K72 K78 | L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 VanDerWaalsContact O-CG 3.31Å; L70-R74 WeakPolarHBondContact O-CG 3.41Å; L70-R74 PolarHBondContact O-N 2.91Å; R71-R74 PolarHBondContact O-N 3.48Å; K72-R74 PolarHBondContact O-N 2.81Å; R74-K78 WeakPolarHBondContact O-CB 3.47Å; R74-K78 PolarHBondContact O-N 3.27Å |
| 75 | A | 91 | Very high | 85 | Confident | 49 Ų | 49 | 126.9 Ų | 126.9 | 41% | 0.405 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65 | -43.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R71 K72 Y73 R79 | R71-A75 PolarHBondContact O-N 3.42Å; K72-A75 PolarHBondContact O-N 2.85Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A75 PolarHBondContact O-N 3.24Å; A75-R79 WeakPolarHBondContact O-CG 3.37Å; A75-R79 PolarHBondContact O-N 3.41Å |
| 76 | M | 92.4 | Very high | 84.6 | Confident | 96 Ų | 96 | 129.1 Ų | 129.1 | 47% | 0.473 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.1 | -48.4 | 175.6 | -173.2 | -178.6 | 77.5 | 0 | 0 | 111.1 | K72 Y73 K78 R79 Y80 | K72-M76 WeakPolarHBondContact O-CB 3.41Å; K72-M76 PolarHBondContact O-N 3.36Å; Y73-M76 HydrophobicContact CD2-CE 4.21Å; Y73-M76 PolarHBondContact O-N 3.07Å; M76-K78 VanDerWaalsContact C-N 3.3Å; M76-K78 PolarHBondContact O-N 2.9Å; M76-R79 PolarHBondContact O-N 3.11Å; M76-Y80 HydrophobicContact CG-CD2 3.68Å; M76-Y80 HydrophobicContact CG-CE2 3.84Å; M76-Y80 WeakPolarHBondContact O-CD2 3.33Å; M76-Y80 PolarHBondContact O-N 3.22Å; M76-Y80 VanDerWaalsContact O-N 3.11Å |
| 77 | K | 92.8 | Very high | 84.2 | Confident | 106 Ų | 106 | 132.8 Ų | 132.8 | 46% | 0.461 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -55.6 | -46.4 | 178.8 | -175.3 | 178.7 | 177.3 | 179.2 | 0 | 111.3 | Y73 R79 Y80 Y81 | Y73-K77 HydrophobicContact CE1-CD 4.29Å; Y73-K77 WeakPolarHBondContact O-CB 3.48Å; Y73-K77 PolarHBondContact O-N 3.4Å; K77-R79 VanDerWaalsContact C-N 3.31Å; K77-R79 PolarHBondContact O-N 2.92Å; K77-Y80 PolarHBondContact O-N 3.04Å; K77-Y81 HydrophobicContact CG-CD2 4.09Å; K77-Y81 WeakPolarHBondContact O-CB 3.25Å; K77-Y81 PolarHBondContact O-N 3.32Å |
| 78 | K | 90.5 | Very high | 83.8 | Confident | 151 Ų | 151 | 136.6 Ų | 136.6 | 66% | 0.657 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.6 | -38.6 | 177.1 | -172.6 | 177.9 | -180 | -177.9 | 0 | 112.8 | R74 M76 D82 | R74-K78 WeakPolarHBondContact O-CB 3.47Å; R74-K78 PolarHBondContact O-N 3.27Å; M76-K78 VanDerWaalsContact C-N 3.3Å; M76-K78 PolarHBondContact O-N 2.9Å; K78-D82 PolarHBondContact O-N 3.45Å |
| 79 | R | 90.2 | Very high | 83.4 | Confident | 207 Ų | 207 | 142.8 Ų | 142.8 | 78% | 0.781 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.5 | -36.3 | -178.6 | -72 | 177.5 | -177.3 | -162.8 | -0.5 | 113.7 | A75 M76 K77 | A75-R79 WeakPolarHBondContact O-CG 3.37Å; A75-R79 PolarHBondContact O-N 3.41Å; M76-R79 PolarHBondContact O-N 3.11Å; K77-R79 VanDerWaalsContact C-N 3.31Å; K77-R79 PolarHBondContact O-N 2.92Å |
| 80 | Y | 88.9 | Confident | 82.9 | Confident | 177 Ų | 177 | 142.9 Ų | 142.9 | 69% | 0.694 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -99.8 | -23.1 | -172.9 | -71.5 | -78.3 | 0 | 0 | 0 | 114.1 | M76 K77 | M76-Y80 HydrophobicContact CG-CD2 3.68Å; M76-Y80 HydrophobicContact CG-CE2 3.84Å; M76-Y80 WeakPolarHBondContact O-CD2 3.33Å; M76-Y80 PolarHBondContact O-N 3.22Å; M76-Y80 VanDerWaalsContact O-N 3.11Å; K77-Y80 PolarHBondContact O-N 3.04Å |
| 81 | Y | 81.9 | Confident | 82.4 | Confident | 173 Ų | 173 | 147.5 Ų | 147.5 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -120.7 | -7 | -172.3 | -60.4 | -86.7 | 0 | 0 | 0 | 114.8 | K77 P83 | K77-Y81 HydrophobicContact CG-CD2 4.09Å; K77-Y81 WeakPolarHBondContact O-CB 3.25Å; K77-Y81 PolarHBondContact O-N 3.32Å; Y81-P83 VanDerWaalsContact O-CD 3.25Å; Y81-P83 WeakPolarHBondContact O-CD 3.38Å |
| 82 | D | 71.9 | Confident | 81.8 | Confident | 115 Ų | 115 | 148.7 Ų | 148.7 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | trans | -111.2 | 75.6 | 165.8 | -76.9 | -37.1 | 0 | 0 | 0 | 109.1 | K78 E84 | K78-D82 PolarHBondContact O-N 3.45Å; D82-E84 PolarHBondContact O-N 3.24Å | ||
| 83 | P | 60.4 | Low | 81.2 | Confident | 115 Ų | 115 | 149.4 Ų | 149.4 | 75% | 0.747 | 67% | 0.669 | S | S | * | * | trans | -72.5 | -4.6 | -176.4 | 30.3 | -35.4 | 0 | 0 | 0 | 114.4 | Y81 | Y81-P83 VanDerWaalsContact O-CD 3.25Å; Y81-P83 WeakPolarHBondContact O-CD 3.38Å | ||
| 84 | E | 59.8 | Low | 80.1 | Confident | 177 Ų | 177 | 151.4 Ų | 151.4 | 83% | 0.827 | 68% | 0.684 | S | S | * | * | trans | -130.1 | 102.5 | -172.8 | -68.8 | -177.3 | 169.8 | 0 | 0 | 113.2 | D82 | D82-E84 PolarHBondContact O-N 3.24Š| ||
| 85 | K | 51 | Low | 79.2 | Confident | 284 Ų | 284 | 150 Ų | 150 | 100% | 1.235 | 69% | 0.688 | S | S | * | * | trans | -137.5 | 0 | 133.8 | -104.6 | -163.7 | 179.8 | -169.1 | 0 | 109.1 |
Retrieved 85 of 85 residues in 203.6 ms
(Link to these results)