| 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 | 80.7 | Confident | 91.6 | Very high | 196 Ų | 196 | 59.4 Ų | 59.4 | 97% | 0.966 | 31% | 0.311 | S | S | * | . | 0 | -52.1 | 0 | -174.3 | 172.7 | 167.7 | 0 | 0 | 111.5 | M3 K4 I5 | M1-M3 PolarHBondContact O-N 3.04Å; M1-K4 PolarHBondContact O-N 3.09Å; M1-K4 VanDerWaalsContact O-N 3.13Å; M1-I5 HydrophobicContact CE-CD1 4.44Å; M1-I5 HydrophobicContact CG-CD1 4.41Å | |||
| 2 | I | 89.1 | Confident | 91.8 | Very high | 47 Ų | 47 | 60.5 Ų | 60.5 | 24% | 0.241 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -52.2 | -44.7 | -176.6 | -170.2 | 66.4 | 0 | 0 | 0 | 114.8 | K4 I5 L6 L29 F45 | I2-K4 VanDerWaalsContact C-N 3.27Å; I2-K4 PolarHBondContact O-N 3.15Å; I2-I5 WeakPolarHBondContact O-CB 3.42Å; I2-I5 PolarHBondContact O-N 2.88Å; I2-L6 HydrophobicContact CD1-CG 4.46Å; I2-L6 HydrophobicContact CG1-CD1 4.07Å; I2-L6 HydrophobicContact CG1-CG 4.22Å; I2-L6 PolarHBondContact O-N 3.04Å; I2-L29 HydrophobicContact CD1-CD1 4.09Å; I2-L29 HydrophobicContact CD1-CD2 4.44Å; I2-L29 HydrophobicContact CG1-CD1 4.01Å; I2-F45 HydrophobicContact CG1-CE2 4.3Å; I2-F45 HydrophobicContact CG2-CE2 4.17Å |
| 3 | M | 91.2 | Very high | 92.1 | Very high | 26 Ų | 26 | 63.2 Ų | 63.2 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.3 | -36.3 | -178.7 | -166.6 | 60.3 | 163.4 | 0 | 0 | 113.1 | M1 I5 L6 L7 M41 L44 F45 L48 | M1-M3 PolarHBondContact O-N 3.04Å; M3-I5 VanDerWaalsContact C-N 3.3Å; M3-I5 PolarHBondContact O-N 2.9Å; M3-L6 PolarHBondContact O-N 2.93Å; M3-L7 HydrophobicContact CG-CD1 3.91Å; M3-L7 HydrophobicContact CG-CG 4.37Å; M3-L7 WeakPolarHBondContact O-CB 3.42Å; M3-L7 WeakPolarHBondContact O-CD1 3.35Å; M3-L7 VanDerWaalsContact O-CG 3.22Å; M3-L7 WeakPolarHBondContact O-CG 3.34Å; M3-L7 PolarHBondContact O-N 3.46Å; M3-M41 HydrophobicContact CE-CE 3.81Å; M3-M41 HydrophobicContact CE-SD 4.48Å; M3-M41 HydrophobicContact CG-CE 4.01Å; M3-L44 HydrophobicContact CE-CB 3.99Å; M3-L44 HydrophobicContact CE-CD2 3.59Å; M3-L44 HydrophobicContact CE-CG 3.54Å; M3-F45 HydrophobicContact CE-CB 4.41Å; M3-F45 HydrophobicContact SD-CB 4.29Å; M3-F45 HydrophobicContact SD-CD2 4.1Å; M3-L48 HydrophobicContact CE-CD1 3.66Å; M3-L48 HydrophobicContact SD-CD1 3.74Å |
| 4 | K | 91 | Very high | 92.5 | Very high | 148 Ų | 148 | 59.1 Ų | 59.1 | 64% | 0.643 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.5 | -36 | 177.1 | -67.1 | -174.8 | -179.7 | 179.8 | 0 | 111.6 | M1 I2 S8 | M1-K4 PolarHBondContact O-N 3.09Å; M1-K4 VanDerWaalsContact O-N 3.13Å; I2-K4 VanDerWaalsContact C-N 3.27Å; I2-K4 PolarHBondContact O-N 3.15Å; K4-S8 PolarHBondContact O-OG 2.94Å |
| 5 | I | 92.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 58.1 Ų | 58.1 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.2 | -52.1 | 177.5 | -61.1 | 170.5 | 0 | 0 | 0 | 108.9 | M1 I2 M3 L7 S8 S9 I17 | M1-I5 HydrophobicContact CE-CD1 4.44Å; M1-I5 HydrophobicContact CG-CD1 4.41Å; I2-I5 WeakPolarHBondContact O-CB 3.42Å; I2-I5 PolarHBondContact O-N 2.88Å; M3-I5 VanDerWaalsContact C-N 3.3Å; M3-I5 PolarHBondContact O-N 2.9Å; I5-L7 VanDerWaalsContact C-N 3.34Å; I5-L7 PolarHBondContact O-N 3.12Å; I5-S8 PolarHBondContact O-N 3.11Å; I5-S9 PolarHBondContact O-N 3.2Å; I5-S9 VanDerWaalsContact O-N 3.14Å; I5-S9 PolarHBondContact O-OG 3.39Å; I5-I17 HydrophobicContact CG2-CD1 3.99Å |
| 6 | L | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -42.6 | -178.5 | -62.6 | 177.6 | 0 | 0 | 0 | 112.5 | I2 M3 S8 S9 R14 I17 F45 L48 L49 | I2-L6 HydrophobicContact CD1-CG 4.46Å; I2-L6 HydrophobicContact CG1-CD1 4.07Å; I2-L6 HydrophobicContact CG1-CG 4.22Å; I2-L6 PolarHBondContact O-N 3.04Å; M3-L6 PolarHBondContact O-N 2.93Å; L6-S8 PolarHBondContact O-N 3.42Å; L6-S9 PolarHBondContact O-N 3.06Å; L6-R14 HydrophobicContact CD2-CB 4.4Å; L6-R14 HydrophobicContact CD2-CG 3.99Å; L6-R14 WeakPolarHBondContact O-CD 3.38Å; L6-I17 HydrophobicContact CD2-CG2 4.29Å; L6-F45 HydrophobicContact CD1-CD2 3.67Å; L6-F45 HydrophobicContact CD1-CE2 3.51Å; L6-L48 HydrophobicContact CB-CB 4.48Å; L6-L48 HydrophobicContact CB-CD1 4.16Å; L6-L49 HydrophobicContact CD1-CD2 3.77Å; L6-L49 HydrophobicContact CD1-CG 4.19Å; L6-L49 HydrophobicContact CD2-CD2 3.79Å; L6-L49 HydrophobicContact CG-CD2 4.45Å |
| 7 | L | 94.5 | Very high | 93.1 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.8 | -19.9 | 178.3 | -73 | 167.6 | 0 | 0 | 0 | 114 | M3 I5 L44 L48 A284 K287 L288 | M3-L7 HydrophobicContact CG-CD1 3.91Å; M3-L7 HydrophobicContact CG-CG 4.37Å; M3-L7 WeakPolarHBondContact O-CB 3.42Å; M3-L7 WeakPolarHBondContact O-CD1 3.35Å; M3-L7 VanDerWaalsContact O-CG 3.22Å; M3-L7 WeakPolarHBondContact O-CG 3.34Å; M3-L7 PolarHBondContact O-N 3.46Å; I5-L7 VanDerWaalsContact C-N 3.34Å; I5-L7 PolarHBondContact O-N 3.12Å; L7-L44 HydrophobicContact CD2-CD2 4.38Å; L7-L48 HydrophobicContact CD2-CD1 3.81Å; L7-L48 HydrophobicContact CD2-CD2 4.48Å; L7-L48 HydrophobicContact CG-CD1 4.12Å; L7-A284 HydrophobicContact CD1-CB 3.78Å; L7-A284 HydrophobicContact CD2-CB 4.22Å; L7-K287 HydrophobicContact CB-CB 4.5Å; L7-K287 HydrophobicContact CB-CD 4.43Å; L7-K287 HydrophobicContact CD1-CD 3.95Å; L7-L288 HydrophobicContact CD2-CD2 3.92Å; L7-L288 HydrophobicContact CD2-CG 4.22Å |
| 8 | S | 92.5 | Very high | 93.2 | Very high | 88 Ų | 88 | 58.7 Ų | 58.7 | 62% | 0.615 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -98.7 | -11.2 | 177.3 | -65.7 | 0 | 0 | 0 | 0 | 113.2 | K4 I5 L6 | K4-S8 PolarHBondContact O-OG 2.94Å; I5-S8 PolarHBondContact O-N 3.11Å; L6-S8 PolarHBondContact O-N 3.42Å |
| 9 | S | 93.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -87.2 | 158.2 | -178.7 | -69.3 | 0 | 0 | 0 | 0 | 112.7 | I5 L6 E13 R14 K291 | I5-S9 PolarHBondContact O-N 3.2Å; I5-S9 VanDerWaalsContact O-N 3.14Å; I5-S9 PolarHBondContact O-OG 3.39Å; L6-S9 PolarHBondContact O-N 3.06Å; S9-E13 WeakPolarHBondContact CA-OE2 3.19Å; S9-E13 WeakPolarHBondContact CB-OE2 3.48Å; S9-R14 PolarHBondContact O-NH1 3.23Å; S9-K291 PolarHBondContact O-NZ 3.21Å |
| 10 | T | 93.2 | Very high | 93.4 | Very high | 41 Ų | 41 | 61 Ų | 61 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | trans | -76.9 | 166.9 | 164.8 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | A12 E13 R14 E251 | T10-A12 VanDerWaalsContact C-N 3.32Å; T10-A12 PolarHBondContact O-N 3.32Å; T10-E13 PolarHBondContact N-OE2 3.34Å; T10-E13 PolarHBondContact O-N 3.1Å; T10-E13 WeakPolarHBondContact OG1-CB 3.46Å; T10-E13 VanDerWaalsContact OG1-CG 3.22Å; T10-E13 WeakPolarHBondContact OG1-CG 3.2Å; T10-E13 PolarHBondContact OG1-N 3.17Å; T10-E13 PolarHBondContact OG1-OE2 3.07Å; T10-R14 VanDerWaalsContact C-NH1 3.29Å; T10-R14 VanDerWaalsContact O-CG 3.28Å; T10-R14 WeakPolarHBondContact O-CG 3.28Å; T10-R14 PolarHBondContact O-N 2.88Å; T10-E251 WeakPolarHBondContact CA-OE1 3.4Å; T10-E251 WeakPolarHBondContact CA-OE2 3.39Å; T10-E251 VanDerWaalsContact CB-OE2 3.29Å; T10-E251 WeakPolarHBondContact CB-OE2 3.39Å | ||
| 11 | N | 93.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 177.4 | -171.4 | -74.6 | 0 | 0 | 0 | 110.3 | E13 R14 Q15 T50 T52 E251 | N11-E13 VanDerWaalsContact C-N 3.31Å; N11-E13 PolarHBondContact O-N 3.15Å; N11-R14 VanDerWaalsContact CA-CZ 3.49Å; N11-R14 PolarHBondContact ND2-NH2 3.25Å; N11-R14 WeakPolarHBondContact O-CA 3.41Å; N11-R14 WeakPolarHBondContact O-CB 3.37Å; N11-R14 PolarHBondContact O-N 3.03Å; N11-Q15 WeakPolarHBondContact O-CG 3.42Å; N11-Q15 PolarHBondContact O-N 3.43Å; N11-Q15 WeakPolarHBondContact OD1-CG 3.45Å; N11-T50 PolarHBondContact ND2-O 3.1Å; N11-T50 VanDerWaalsContact ND2-O 3.11Å; N11-T52 VanDerWaalsContact CG-OG1 3.28Å; N11-T52 PolarHBondContact ND2-OG1 3.02Å; N11-T52 VanDerWaalsContact ND2-OG1 3.11Å; N11-E251 PolarHBondContact N-OE1 2.68Å; N11-E251 PolarHBondContact N-OE2 3.08Å |
| 12 | A | 94.3 | Very high | 94.2 | Very high | 73 Ų | 73 | 53.9 Ų | 53.9 | 60% | 0.603 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -56.4 | -42.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T10 Q15 N16 | T10-A12 VanDerWaalsContact C-N 3.32Å; T10-A12 PolarHBondContact O-N 3.32Å; A12-Q15 PolarHBondContact O-N 3.22Å; A12-N16 PolarHBondContact O-N 3.16Å |
| 13 | E | 96.2 | Very high | 94.4 | Very high | 96 Ų | 96 | 58.3 Ų | 58.3 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 174.2 | -74.7 | 167.5 | 174.3 | 0 | 0 | 112 | S9 T10 N11 Q15 N16 I17 | S9-E13 WeakPolarHBondContact CA-OE2 3.19Å; S9-E13 WeakPolarHBondContact CB-OE2 3.48Å; T10-E13 PolarHBondContact N-OE2 3.34Å; T10-E13 PolarHBondContact O-N 3.1Å; T10-E13 WeakPolarHBondContact OG1-CB 3.46Å; T10-E13 VanDerWaalsContact OG1-CG 3.22Å; T10-E13 WeakPolarHBondContact OG1-CG 3.2Å; T10-E13 PolarHBondContact OG1-N 3.17Å; T10-E13 PolarHBondContact OG1-OE2 3.07Å; N11-E13 VanDerWaalsContact C-N 3.31Å; N11-E13 PolarHBondContact O-N 3.15Å; E13-Q15 VanDerWaalsContact C-N 3.34Å; E13-Q15 PolarHBondContact O-N 3.26Å; E13-N16 PolarHBondContact O-N 2.95Å; E13-I17 WeakPolarHBondContact O-CB 3.48Å; E13-I17 VanDerWaalsContact O-CG1 3.23Å; E13-I17 WeakPolarHBondContact O-CG1 3.36Å; E13-I17 PolarHBondContact O-N 3.38Å |
| 14 | R | 96.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 62.8 Ų | 62.8 | 2% | 0.023 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 176.9 | -68.1 | -175.6 | -55.4 | -94.5 | 3 | 111.4 | L6 S9 T10 N11 I17 M18 L48 E251 | L6-R14 HydrophobicContact CD2-CB 4.4Å; L6-R14 HydrophobicContact CD2-CG 3.99Å; L6-R14 WeakPolarHBondContact O-CD 3.38Å; S9-R14 PolarHBondContact O-NH1 3.23Å; T10-R14 VanDerWaalsContact C-NH1 3.29Å; T10-R14 VanDerWaalsContact O-CG 3.28Å; T10-R14 WeakPolarHBondContact O-CG 3.28Å; T10-R14 PolarHBondContact O-N 2.88Å; N11-R14 VanDerWaalsContact CA-CZ 3.49Å; N11-R14 PolarHBondContact ND2-NH2 3.25Å; N11-R14 WeakPolarHBondContact O-CA 3.41Å; N11-R14 WeakPolarHBondContact O-CB 3.37Å; N11-R14 PolarHBondContact O-N 3.03Å; R14-I17 PolarHBondContact O-N 3.48Å; R14-M18 WeakPolarHBondContact O-CB 3.47Å; R14-M18 PolarHBondContact O-N 3.3Å; R14-L48 WeakPolarHBondContact CD-O 3.42Å; R14-L48 PolarHBondContact NE-O 3.22Å; R14-E251 IonicContact CZ-OE1 2.69Å; R14-E251 IonicContact NH1-OE1 3.95Å; R14-E251 PolarHBondContact NH1-OE1 3.3Å; R14-E251 IonicContact NH2-OE1 3.34Å; R14-E251 PolarHBondContact NH2-OE1 3.13Å |
| 15 | Q | 96.6 | Very high | 94.8 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 20% | 0.201 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 174.4 | -63.9 | -46.1 | -50.6 | 0 | 0 | 111.5 | N11 A12 E13 M18 H19 L49 T50 | N11-Q15 WeakPolarHBondContact O-CG 3.42Å; N11-Q15 PolarHBondContact O-N 3.43Å; N11-Q15 WeakPolarHBondContact OD1-CG 3.45Å; A12-Q15 PolarHBondContact O-N 3.22Å; E13-Q15 VanDerWaalsContact C-N 3.34Å; E13-Q15 PolarHBondContact O-N 3.26Å; Q15-M18 PolarHBondContact O-N 3.48Å; Q15-M18 VanDerWaalsContact OE1-CE 3.26Å; Q15-H19 WeakPolarHBondContact O-CB 3.27Å; Q15-H19 PolarHBondContact O-N 2.96Å; Q15-L49 PolarHBondContact NE2-O 3.17Å; Q15-T50 PolarHBondContact NE2-O 3.27Å |
| 16 | N | 96.6 | Very high | 94.7 | Very high | 92 Ų | 92 | 65 Ų | 65 | 49% | 0.492 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 176.1 | -176.6 | 45.1 | 0 | 0 | 0 | 112 | A12 E13 M18 H19 Q20 | A12-N16 PolarHBondContact O-N 3.16Å; E13-N16 PolarHBondContact O-N 2.95Å; N16-M18 VanDerWaalsContact C-N 3.34Å; N16-M18 PolarHBondContact O-N 2.95Å; N16-H19 PolarHBondContact O-N 3.32Å; N16-Q20 VanDerWaalsContact O-CG 3.3Å; N16-Q20 WeakPolarHBondContact O-CG 3.36Å; N16-Q20 PolarHBondContact O-N 2.72Å |
| 17 | I | 95.6 | Very high | 94.6 | Very high | 43 Ų | 43 | 68.4 Ų | 68.4 | 22% | 0.221 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.6 | -48.3 | 176 | -71.8 | 162.9 | 0 | 0 | 0 | 110.4 | I5 L6 E13 R14 H19 Q20 Y21 L29 | I5-I17 HydrophobicContact CG2-CD1 3.99Å; L6-I17 HydrophobicContact CD2-CG2 4.29Å; E13-I17 WeakPolarHBondContact O-CB 3.48Å; E13-I17 VanDerWaalsContact O-CG1 3.23Å; E13-I17 WeakPolarHBondContact O-CG1 3.36Å; E13-I17 PolarHBondContact O-N 3.38Å; R14-I17 PolarHBondContact O-N 3.48Å; I17-H19 PolarHBondContact O-N 3.15Å; I17-Q20 PolarHBondContact O-N 2.95Å; I17-Y21 VanDerWaalsContact O-CB 3.28Å; I17-Y21 WeakPolarHBondContact O-CB 3.31Å; I17-Y21 PolarHBondContact O-N 2.99Å; I17-L29 HydrophobicContact CG2-CD2 4.16Å |
| 18 | M | 95.2 | Very high | 94.6 | Very high | 50 Ų | 50 | 70.9 Ų | 70.9 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 177.7 | -177.8 | 177.3 | 62.6 | 0 | 0 | 111.3 | R14 Q15 N16 Q20 Y21 N22 L29 L49 | R14-M18 WeakPolarHBondContact O-CB 3.47Å; R14-M18 PolarHBondContact O-N 3.3Å; Q15-M18 PolarHBondContact O-N 3.48Å; Q15-M18 VanDerWaalsContact OE1-CE 3.26Å; N16-M18 VanDerWaalsContact C-N 3.34Å; N16-M18 PolarHBondContact O-N 2.95Å; M18-Q20 PolarHBondContact O-N 3.3Å; M18-Y21 PolarHBondContact O-N 2.76Å; M18-N22 WeakPolarHBondContact O-CB 3.37Å; M18-N22 PolarHBondContact O-N 2.98Å; M18-N22 PolarHBondContact O-ND2 3.42Å; M18-N22 PolarHBondContact O-OD1 2.92Å; M18-L29 HydrophobicContact CB-CD2 4.31Å; M18-L29 HydrophobicContact CG-CB 4.39Å; M18-L49 HydrophobicContact CB-CD2 4.36Å; M18-L49 HydrophobicContact SD-CB 4.2Å |
| 19 | H | 94.9 | Very high | 94.6 | Very high | 111 Ų | 111 | 66.7 Ų | 66.7 | 51% | 0.514 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 178.1 | -177.1 | 81.4 | 0 | 0 | 0 | 112.1 | Q15 N16 I17 R23 | Q15-H19 WeakPolarHBondContact O-CB 3.27Å; Q15-H19 PolarHBondContact O-N 2.96Å; N16-H19 PolarHBondContact O-N 3.32Å; I17-H19 PolarHBondContact O-N 3.15Å; H19-R23 WeakPolarHBondContact O-CB 3.27Å; H19-R23 PolarHBondContact O-N 2.65Å; H19-R23 VanDerWaalsContact O-N 3.07Å |
| 20 | Q | 95.6 | Very high | 94.4 | Very high | 53 Ų | 53 | 69.4 Ų | 69.4 | 25% | 0.248 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.1 | -43.2 | -179.9 | -66.8 | -54.8 | -32.2 | 0 | 0 | 112.5 | N16 I17 M18 N22 R23 I24 | N16-Q20 VanDerWaalsContact O-CG 3.3Å; N16-Q20 WeakPolarHBondContact O-CG 3.36Å; N16-Q20 PolarHBondContact O-N 2.72Å; I17-Q20 PolarHBondContact O-N 2.95Å; M18-Q20 PolarHBondContact O-N 3.3Å; Q20-N22 PolarHBondContact O-N 3.16Å; Q20-R23 PolarHBondContact O-N 2.85Å; Q20-I24 WeakPolarHBondContact O-CB 3.49Å; Q20-I24 VanDerWaalsContact O-CG1 3.32Å; Q20-I24 WeakPolarHBondContact O-CG1 3.49Å; Q20-I24 PolarHBondContact O-N 3.35Å |
| 21 | Y | 94.9 | Very high | 94.3 | Very high | 51 Ų | 51 | 70.4 Ų | 70.4 | 20% | 0.2 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.2 | -52 | 177.3 | -171.6 | -82.2 | 0 | 0 | 0 | 110.9 | I17 M18 R23 I24 L25 L29 E32 | I17-Y21 VanDerWaalsContact O-CB 3.28Å; I17-Y21 WeakPolarHBondContact O-CB 3.31Å; I17-Y21 PolarHBondContact O-N 2.99Å; M18-Y21 PolarHBondContact O-N 2.76Å; Y21-R23 VanDerWaalsContact C-N 3.26Å; Y21-R23 PolarHBondContact O-N 3.42Å; Y21-I24 PolarHBondContact O-N 3.11Å; Y21-L25 HydrophobicContact CD1-CD1 4.04Å; Y21-L25 HydrophobicContact CD2-CD1 3.74Å; Y21-L25 HydrophobicContact CE1-CB 4.39Å; Y21-L25 HydrophobicContact CE1-CD1 3.61Å; Y21-L25 HydrophobicContact CE2-CD1 3.27Å; Y21-L25 HydrophobicContact CG-CD1 4.1Å; Y21-L25 PolarHBondContact O-N 3.3Å; Y21-L25 WeakPolarHBondContact OH-CD1 3.33Å; Y21-L29 HydrophobicContact CD1-CB 3.57Å; Y21-L29 HydrophobicContact CD1-CD1 3.85Å; Y21-L29 HydrophobicContact CD1-CG 4.26Å; Y21-L29 HydrophobicContact CD2-CD1 3.72Å; Y21-L29 HydrophobicContact CE1-CB 4.1Å; Y21-L29 HydrophobicContact CE1-CD1 3.86Å; Y21-L29 HydrophobicContact CE2-CD1 3.72Å; Y21-L29 HydrophobicContact CG-CB 3.92Å; Y21-L29 HydrophobicContact CG-CD1 3.78Å; Y21-L29 HydrophobicContact CG-CD2 4.4Å; Y21-L29 HydrophobicContact CG-CG 4.25Å; Y21-E32 HydrophobicContact CE1-CG 4.28Å; Y21-E32 VanDerWaalsContact OH-CG 3.27Å; Y21-E32 WeakPolarHBondContact OH-CG 3.43Å; Y21-E32 PolarHBondContact OH-OE1 3.48Å |
| 22 | N | 94.4 | Very high | 94.1 | Very high | 56 Ų | 56 | 71.6 Ų | 71.6 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 179.9 | -63.9 | -3 | 0 | 0 | 0 | 111.3 | M18 Q20 K26 P28 L29 | M18-N22 WeakPolarHBondContact O-CB 3.37Å; M18-N22 PolarHBondContact O-N 2.98Å; M18-N22 PolarHBondContact O-ND2 3.42Å; M18-N22 PolarHBondContact O-OD1 2.92Å; Q20-N22 PolarHBondContact O-N 3.16Å; N22-K26 VanDerWaalsContact O-CA 3.3Å; N22-K26 WeakPolarHBondContact O-CA 3.48Å; N22-K26 PolarHBondContact O-N 3.14Å; N22-K26 VanDerWaalsContact O-N 3.1Å; N22-P28 VanDerWaalsContact OD1-CA 3.27Å; N22-P28 WeakPolarHBondContact OD1-CA 3.3Å; N22-L29 PolarHBondContact OD1-N 3.33Å |
| 23 | R | 94.9 | Very high | 93.6 | Very high | 140 Ų | 140 | 72.5 Ų | 72.5 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.1 | -43.2 | -179 | -173.8 | 174.4 | 72.1 | 149.7 | 5.1 | 112.9 | H19 Q20 Y21 K26 | H19-R23 WeakPolarHBondContact O-CB 3.27Å; H19-R23 PolarHBondContact O-N 2.65Å; H19-R23 VanDerWaalsContact O-N 3.07Å; Q20-R23 PolarHBondContact O-N 2.85Å; Y21-R23 VanDerWaalsContact C-N 3.26Å; Y21-R23 PolarHBondContact O-N 3.42Å; R23-K26 WeakPolarHBondContact O-CD 3.47Å; R23-K26 VanDerWaalsContact O-CE 3.29Å; R23-K26 WeakPolarHBondContact O-CE 2.89Å; R23-K26 PolarHBondContact O-NZ 3Å |
| 24 | I | 95.4 | Very high | 93 | Very high | 120 Ų | 120 | 75.1 Ų | 75.1 | 62% | 0.615 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -78.4 | -51.1 | -175.1 | -67.3 | 168.6 | 0 | 0 | 0 | 110.7 | Q20 Y21 | Q20-I24 WeakPolarHBondContact O-CB 3.49Å; Q20-I24 VanDerWaalsContact O-CG1 3.32Å; Q20-I24 WeakPolarHBondContact O-CG1 3.49Å; Q20-I24 PolarHBondContact O-N 3.35Å; Y21-I24 PolarHBondContact O-N 3.11Å |
| 25 | L | 93.2 | Very high | 92.4 | Very high | 97 Ų | 97 | 80.5 Ų | 80.5 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -88.1 | -6.4 | -172.9 | -64.8 | 174.1 | 0 | 0 | 0 | 113.5 | Y21 K27 | Y21-L25 HydrophobicContact CD1-CD1 4.04Å; Y21-L25 HydrophobicContact CD2-CD1 3.74Å; Y21-L25 HydrophobicContact CE1-CB 4.39Å; Y21-L25 HydrophobicContact CE1-CD1 3.61Å; Y21-L25 HydrophobicContact CE2-CD1 3.27Å; Y21-L25 HydrophobicContact CG-CD1 4.1Å; Y21-L25 PolarHBondContact O-N 3.3Å; Y21-L25 WeakPolarHBondContact OH-CD1 3.33Å; L25-K27 PolarHBondContact O-N 3.48Å |
| 26 | K | 92.6 | Very high | 91.9 | Very high | 170 Ų | 170 | 80.5 Ų | 80.5 | 74% | 0.739 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 53.8 | 22.7 | -177.6 | -53.8 | -58 | -174.6 | -163.7 | 0 | 113.4 | N22 R23 | N22-K26 VanDerWaalsContact O-CA 3.3Å; N22-K26 WeakPolarHBondContact O-CA 3.48Å; N22-K26 PolarHBondContact O-N 3.14Å; N22-K26 VanDerWaalsContact O-N 3.1Å; R23-K26 WeakPolarHBondContact O-CD 3.47Å; R23-K26 VanDerWaalsContact O-CE 3.29Å; R23-K26 WeakPolarHBondContact O-CE 2.89Å; R23-K26 PolarHBondContact O-NZ 3Å |
| 27 | K | 92.5 | Very high | 91.3 | Very high | 72 Ų | 72 | 86.3 Ų | 86.3 | 31% | 0.313 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -131.6 | 134.9 | 176.4 | -176.8 | -176.7 | 176.3 | -169.4 | 0 | 107.9 | L25 L29 N31 E32 | L25-K27 PolarHBondContact O-N 3.48Å; K27-L29 PolarHBondContact O-N 3.46Å; K27-N31 HydrophobicContact CD-CB 4.34Å; K27-N31 HydrophobicContact CG-CB 4.13Å; K27-E32 IonicContact NZ-OE1 3.67Å |
| 28 | P | 93 | Very high | 90.9 | Very high | 61 Ų | 61 | 86.7 Ų | 86.7 | 40% | 0.396 | 42% | 0.416 | S | S | . | . | trans | -57.2 | 133 | 174.1 | -25.1 | 33.6 | 0 | 0 | 0 | 112 | N22 L30 N31 | N22-P28 VanDerWaalsContact OD1-CA 3.27Å; N22-P28 WeakPolarHBondContact OD1-CA 3.3Å; P28-L30 PolarHBondContact O-N 3.45Å; P28-N31 VanDerWaalsContact O-CB 3.28Å; P28-N31 WeakPolarHBondContact O-CB 3.44Å; P28-N31 PolarHBondContact O-N 2.99Å | ||
| 29 | L | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 87.1 Ų | 87.1 | 0% | 0 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -56.9 | -32.7 | 172.6 | -178.5 | 53.1 | 0 | 0 | 0 | 111.5 | I2 I17 M18 Y21 N22 K27 N31 E32 F45 L49 | I2-L29 HydrophobicContact CD1-CD1 4.09Å; I2-L29 HydrophobicContact CD1-CD2 4.44Å; I2-L29 HydrophobicContact CG1-CD1 4.01Å; I17-L29 HydrophobicContact CG2-CD2 4.16Å; M18-L29 HydrophobicContact CB-CD2 4.31Å; M18-L29 HydrophobicContact CG-CB 4.39Å; Y21-L29 HydrophobicContact CD1-CB 3.57Å; Y21-L29 HydrophobicContact CD1-CD1 3.85Å; Y21-L29 HydrophobicContact CD1-CG 4.26Å; Y21-L29 HydrophobicContact CD2-CD1 3.72Å; Y21-L29 HydrophobicContact CE1-CB 4.1Å; Y21-L29 HydrophobicContact CE1-CD1 3.86Å; Y21-L29 HydrophobicContact CE2-CD1 3.72Å; Y21-L29 HydrophobicContact CG-CB 3.92Å; Y21-L29 HydrophobicContact CG-CD1 3.78Å; Y21-L29 HydrophobicContact CG-CD2 4.4Å; Y21-L29 HydrophobicContact CG-CG 4.25Å; N22-L29 PolarHBondContact OD1-N 3.33Å; K27-L29 PolarHBondContact O-N 3.46Å; L29-N31 PolarHBondContact O-N 3.02Å; L29-N31 VanDerWaalsContact O-N 3.15Å; L29-E32 HydrophobicContact CD1-CB 4.45Å; L29-E32 HydrophobicContact CD1-CG 3.88Å; L29-E32 VanDerWaalsContact O-CB 3.27Å; L29-E32 WeakPolarHBondContact O-CB 3.37Å; L29-E32 WeakPolarHBondContact O-CG 3.44Å; L29-E32 PolarHBondContact O-N 3.26Å; L29-F45 HydrophobicContact CD1-CZ 4.42Å; L29-F45 HydrophobicContact CG-CZ 4.3Å; L29-F45 WeakPolarHBondContact O-CZ 3.21Å; L29-L49 HydrophobicContact CD2-CD1 4.24Å; L29-L49 HydrophobicContact CD2-CD2 3.62Å; L29-L49 HydrophobicContact CG-CD1 3.98Å; L29-L49 HydrophobicContact CG-CD2 4.29Å |
| 30 | L | 91.3 | Very high | 90.6 | Very high | 69 Ų | 69 | 85.3 Ų | 85.3 | 36% | 0.361 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -56.9 | -27.6 | 174 | -167.4 | 65.4 | 0 | 0 | 0 | 112.8 | P28 E32 K33 E46 L49 | P28-L30 PolarHBondContact O-N 3.45Å; L30-E32 PolarHBondContact O-N 3.03Å; L30-K33 WeakPolarHBondContact O-CB 3.22Å; L30-K33 WeakPolarHBondContact O-CG 3.39Å; L30-K33 PolarHBondContact O-N 3.12Å; L30-E46 HydrophobicContact CD1-CB 4.48Å; L30-E46 HydrophobicContact CD1-CG 3.84Å; L30-L49 HydrophobicContact CD1-CD1 4.48Å |
| 31 | N | 90.4 | Very high | 90.6 | Very high | 63 Ų | 63 | 83.6 Ų | 83.6 | 34% | 0.337 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -75.3 | -7.6 | 177.8 | -66.1 | 2.1 | 0 | 0 | 0 | 113 | K27 P28 L29 K33 | K27-N31 HydrophobicContact CD-CB 4.34Å; K27-N31 HydrophobicContact CG-CB 4.13Å; P28-N31 VanDerWaalsContact O-CB 3.28Å; P28-N31 WeakPolarHBondContact O-CB 3.44Å; P28-N31 PolarHBondContact O-N 2.99Å; L29-N31 PolarHBondContact O-N 3.02Å; L29-N31 VanDerWaalsContact O-N 3.15Å; N31-K33 PolarHBondContact O-N 3.36Å; N31-K33 VanDerWaalsContact O-N 3.16Å |
| 32 | E | 88.8 | Confident | 90.5 | Very high | 37 Ų | 37 | 83.6 Ų | 83.6 | 17% | 0.173 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -68.5 | -2.9 | 169.1 | -66 | -55.7 | 131 | 0 | 0 | 113 | Y21 K27 L29 L30 E34 N35 F45 | Y21-E32 HydrophobicContact CE1-CG 4.28Å; Y21-E32 VanDerWaalsContact OH-CG 3.27Å; Y21-E32 WeakPolarHBondContact OH-CG 3.43Å; Y21-E32 PolarHBondContact OH-OE1 3.48Å; K27-E32 IonicContact NZ-OE1 3.67Å; L29-E32 HydrophobicContact CD1-CB 4.45Å; L29-E32 HydrophobicContact CD1-CG 3.88Å; L29-E32 VanDerWaalsContact O-CB 3.27Å; L29-E32 WeakPolarHBondContact O-CB 3.37Å; L29-E32 WeakPolarHBondContact O-CG 3.44Å; L29-E32 PolarHBondContact O-N 3.26Å; L30-E32 PolarHBondContact O-N 3.03Å; E32-E34 PolarHBondContact O-N 3.35Å; E32-E34 VanDerWaalsContact O-N 3.15Å; E32-N35 WeakPolarHBondContact O-CB 3.45Å; E32-N35 PolarHBondContact O-N 2.89Å; E32-N35 VanDerWaalsContact O-N 3.09Å; E32-N35 PolarHBondContact OE2-ND2 3.43Å; E32-F45 HydrophobicContact CB-CZ 4.17Å |
| 33 | K | 84.5 | Confident | 90.6 | Very high | 92 Ų | 92 | 83.6 Ų | 83.6 | 40% | 0.4 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -53.3 | -28.7 | 173.8 | 69.4 | 178.7 | -176.1 | 178.4 | 0 | 115.4 | L30 N31 N35 I36 Y42 | L30-K33 WeakPolarHBondContact O-CB 3.22Å; L30-K33 WeakPolarHBondContact O-CG 3.39Å; L30-K33 PolarHBondContact O-N 3.12Å; N31-K33 PolarHBondContact O-N 3.36Å; N31-K33 VanDerWaalsContact O-N 3.16Å; K33-N35 PolarHBondContact O-N 2.86Å; K33-I36 PolarHBondContact O-N 3.26Å; K33-Y42 HydrophobicContact CB-CD2 3.54Å; K33-Y42 HydrophobicContact CB-CE2 3.15Å; K33-Y42 HydrophobicContact CD-CE2 3.54Å; K33-Y42 WeakPolarHBondContact CD-OH 3.39Å; K33-Y42 HydrophobicContact CG-CE2 4.01Å; K33-Y42 PolarHBondContact NZ-OH 3.42Å |
| 34 | E | 82.9 | Confident | 90.6 | Very high | 152 Ų | 152 | 76.9 Ų | 76.9 | 71% | 0.71 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -58 | -22.5 | 178.6 | -65.4 | 171 | 169.7 | 0 | 0 | 111.9 | E32 | E32-E34 PolarHBondContact O-N 3.35Å; E32-E34 VanDerWaalsContact O-N 3.15Å |
| 35 | N | 84.2 | Confident | 90.6 | Very high | 119 Ų | 119 | 71.2 Ų | 71.2 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -88.9 | -4.1 | 177.9 | -62.4 | -45.7 | 0 | 0 | 0 | 113.7 | E32 K33 | E32-N35 WeakPolarHBondContact O-CB 3.45Å; E32-N35 PolarHBondContact O-N 2.89Å; E32-N35 VanDerWaalsContact O-N 3.09Å; E32-N35 PolarHBondContact OE2-ND2 3.43Å; K33-N35 PolarHBondContact O-N 2.86Å |
| 36 | I | 86.8 | Confident | 90.8 | Very high | 42 Ų | 42 | 68.7 Ų | 68.7 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | trans | -107.9 | 108.6 | -176.8 | -56.7 | 176.6 | 0 | 0 | 0 | 109.6 | K33 M41 F45 | K33-I36 PolarHBondContact O-N 3.26Å; I36-M41 HydrophobicContact CG2-CB 3.56Å; I36-F45 HydrophobicContact CD1-CB 3.5Å; I36-F45 VanDerWaalsContact CD1-CB 3.5Å; I36-F45 HydrophobicContact CD1-CD1 3.71Å; I36-F45 HydrophobicContact CD1-CD2 3.82Å; I36-F45 HydrophobicContact CD1-CE1 4.34Å; I36-F45 HydrophobicContact CD1-CE2 4.44Å; I36-F45 HydrophobicContact CD1-CG 3.4Å | ||
| 37 | K | 83.1 | Confident | 91 | Very high | 215 Ų | 215 | 60.8 Ų | 60.8 | 94% | 0.935 | 31% | 0.314 | S | S | * | . | trans | -83.3 | -23 | -172.5 | -62.7 | -176.9 | 179.4 | -178.9 | 0 | 114.7 | ||||
| 38 | S | 87.8 | Confident | 91.2 | Very high | 51 Ų | 51 | 57.3 Ų | 57.3 | 36% | 0.357 | 30% | 0.299 | S | S | . | . | trans | -96.7 | 131 | -178.2 | 165.7 | 0 | 0 | 0 | 0 | 110.7 | L40 M41 Y42 | S38-L40 VanDerWaalsContact C-N 3.33Å; S38-L40 PolarHBondContact O-N 3.29Å; S38-M41 PolarHBondContact O-N 3.48Å; S38-Y42 PolarHBondContact O-N 3.46Å | ||
| 39 | G | 91.3 | Very high | 91.3 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 60% | 0.598 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.3 | -40.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y42 Q43 | G39-Y42 PolarHBondContact O-N 3.37Å; G39-Q43 PolarHBondContact O-N 3.04Å |
| 40 | L | 93.4 | Very high | 91.5 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 38% | 0.382 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 176.5 | -66.6 | 179.9 | 0 | 0 | 0 | 112.2 | S38 Y42 Q43 L44 V239 Y281 | S38-L40 VanDerWaalsContact C-N 3.33Å; S38-L40 PolarHBondContact O-N 3.29Å; L40-Y42 VanDerWaalsContact C-N 3.29Å; L40-Y42 PolarHBondContact O-N 3.15Å; L40-Q43 PolarHBondContact O-N 3.14Å; L40-L44 PolarHBondContact O-N 3.26Å; L40-V239 HydrophobicContact CD1-CG1 4.38Å; L40-V239 HydrophobicContact CD2-CG1 3.75Å; L40-Y281 HydrophobicContact CB-CD1 4.34Å; L40-Y281 HydrophobicContact CB-CD2 3.7Å; L40-Y281 HydrophobicContact CB-CE1 4.45Å; L40-Y281 HydrophobicContact CB-CE2 3.82Å; L40-Y281 HydrophobicContact CB-CG 3.96Å; L40-Y281 HydrophobicContact CD1-CD1 3.97Å; L40-Y281 HydrophobicContact CD1-CE1 4.07Å; L40-Y281 HydrophobicContact CD1-CG 4.33Å |
| 41 | M | 94.5 | Very high | 91.7 | Very high | 18 Ų | 18 | 55.5 Ų | 55.5 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 174.8 | -75.7 | -63.9 | -71.1 | 0 | 0 | 111.9 | M3 I36 S38 L44 F45 E280 Y281 A284 | M3-M41 HydrophobicContact CE-CE 3.81Å; M3-M41 HydrophobicContact CE-SD 4.48Å; M3-M41 HydrophobicContact CG-CE 4.01Å; I36-M41 HydrophobicContact CG2-CB 3.56Å; S38-M41 PolarHBondContact O-N 3.48Å; M41-L44 PolarHBondContact O-N 2.98Å; M41-F45 WeakPolarHBondContact O-CB 3.22Å; M41-F45 PolarHBondContact O-N 2.54Å; M41-E280 HydrophobicContact CE-CB 4.43Å; M41-E280 HydrophobicContact SD-CB 4.41Å; M41-Y281 VanDerWaalsContact SD-CA 3.51Å; M41-Y281 HydrophobicContact SD-CD2 4.04Å; M41-A284 HydrophobicContact CE-CB 4.3Å; M41-A284 HydrophobicContact SD-CB 4.08Å |
| 42 | Y | 93.4 | Very high | 92 | Very high | 50 Ų | 50 | 54.8 Ų | 54.8 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.4 | -47.4 | 175 | 175.1 | -119.4 | 0 | 0 | 0 | 110.7 | K33 S38 G39 L40 L44 F45 E46 | K33-Y42 HydrophobicContact CB-CD2 3.54Å; K33-Y42 HydrophobicContact CB-CE2 3.15Å; K33-Y42 HydrophobicContact CD-CE2 3.54Å; K33-Y42 WeakPolarHBondContact CD-OH 3.39Å; K33-Y42 HydrophobicContact CG-CE2 4.01Å; K33-Y42 PolarHBondContact NZ-OH 3.42Å; S38-Y42 PolarHBondContact O-N 3.46Å; G39-Y42 PolarHBondContact O-N 3.37Å; L40-Y42 VanDerWaalsContact C-N 3.29Å; L40-Y42 PolarHBondContact O-N 3.15Å; Y42-L44 VanDerWaalsContact C-N 3.3Å; Y42-L44 PolarHBondContact O-N 2.89Å; Y42-F45 WeakPolarHBondContact O-CA 3.36Å; Y42-F45 WeakPolarHBondContact O-CB 3.05Å; Y42-F45 PolarHBondContact O-N 3.47Å; Y42-E46 HydrophobicContact CD2-CG 4.15Å; Y42-E46 HydrophobicContact CE1-CG 4.19Å; Y42-E46 HydrophobicContact CE2-CG 3.64Å; Y42-E46 WeakPolarHBondContact O-CG 3.32Å; Y42-E46 PolarHBondContact O-N 3.32Å; Y42-E46 VanDerWaalsContact OH-CD 3.3Å; Y42-E46 PolarHBondContact OH-OE1 2.9Å |
| 43 | Q | 95.3 | Very high | 92.3 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 175.8 | -172.4 | 62 | 62.1 | 0 | 0 | 112.4 | G39 L40 F45 E46 D47 L240 Q243 | G39-Q43 PolarHBondContact O-N 3.04Å; L40-Q43 PolarHBondContact O-N 3.14Å; Q43-F45 VanDerWaalsContact C-N 3.34Å; Q43-E46 PolarHBondContact O-N 2.98Å; Q43-D47 PolarHBondContact NE2-OD1 3.05Å; Q43-D47 VanDerWaalsContact NE2-OD1 3.1Å; Q43-D47 WeakPolarHBondContact O-CB 3.49Å; Q43-D47 PolarHBondContact O-N 3.33Å; Q43-L240 HydrophobicContact CG-CD1 3.55Å; Q43-Q243 PolarHBondContact O-NE2 2.96Å |
| 44 | L | 96 | Very high | 93 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 174.3 | -179.1 | 57.1 | 0 | 0 | 0 | 112.3 | M3 L7 L40 M41 Y42 D47 L48 Q243 L247 Y281 A284 L285 | M3-L44 HydrophobicContact CE-CB 3.99Å; M3-L44 HydrophobicContact CE-CD2 3.59Å; M3-L44 HydrophobicContact CE-CG 3.54Å; L7-L44 HydrophobicContact CD2-CD2 4.38Å; L40-L44 PolarHBondContact O-N 3.26Å; M41-L44 PolarHBondContact O-N 2.98Å; Y42-L44 VanDerWaalsContact C-N 3.3Å; Y42-L44 PolarHBondContact O-N 2.89Å; L44-D47 PolarHBondContact O-N 3.1Å; L44-L48 HydrophobicContact CD1-CD1 4.22Å; L44-L48 HydrophobicContact CD1-CG 4.16Å; L44-L48 HydrophobicContact CG-CD1 4Å; L44-L48 HydrophobicContact CG-CG 4.42Å; L44-L48 VanDerWaalsContact O-CB 3.32Å; L44-L48 WeakPolarHBondContact O-CB 3.43Å; L44-L48 WeakPolarHBondContact O-CD1 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.47Å; L44-L48 PolarHBondContact O-N 3.03Å; L44-Q243 VanDerWaalsContact CA-NE2 3.33Å; L44-Q243 HydrophobicContact CD1-CG 3.78Å; L44-L247 HydrophobicContact CD1-CD1 4.06Å; L44-L247 HydrophobicContact CD1-CD2 4.23Å; L44-L247 HydrophobicContact CD1-CG 4.36Å; L44-Y281 HydrophobicContact CB-CE2 4.22Å; L44-Y281 HydrophobicContact CD2-CD2 4.4Å; L44-Y281 HydrophobicContact CD2-CE2 4.28Å; L44-A284 HydrophobicContact CD2-CB 3.52Å; L44-L285 HydrophobicContact CD2-CD2 4.37Å |
| 45 | F | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.2 | 175.9 | -102.6 | 0 | 0 | 0 | 111.8 | I2 M3 L6 L29 E32 I36 M41 Y42 Q43 L48 L49 | I2-F45 HydrophobicContact CG1-CE2 4.3Å; I2-F45 HydrophobicContact CG2-CE2 4.17Å; M3-F45 HydrophobicContact CE-CB 4.41Å; M3-F45 HydrophobicContact SD-CB 4.29Å; M3-F45 HydrophobicContact SD-CD2 4.1Å; L6-F45 HydrophobicContact CD1-CD2 3.67Å; L6-F45 HydrophobicContact CD1-CE2 3.51Å; L29-F45 HydrophobicContact CD1-CZ 4.42Å; L29-F45 HydrophobicContact CG-CZ 4.3Å; L29-F45 WeakPolarHBondContact O-CZ 3.21Å; E32-F45 HydrophobicContact CB-CZ 4.17Å; I36-F45 HydrophobicContact CD1-CB 3.5Å; I36-F45 VanDerWaalsContact CD1-CB 3.5Å; I36-F45 HydrophobicContact CD1-CD1 3.71Å; I36-F45 HydrophobicContact CD1-CD2 3.82Å; I36-F45 HydrophobicContact CD1-CE1 4.34Å; I36-F45 HydrophobicContact CD1-CE2 4.44Å; I36-F45 HydrophobicContact CD1-CG 3.4Å; M41-F45 WeakPolarHBondContact O-CB 3.22Å; M41-F45 PolarHBondContact O-N 2.54Å; Y42-F45 WeakPolarHBondContact O-CA 3.36Å; Y42-F45 WeakPolarHBondContact O-CB 3.05Å; Y42-F45 PolarHBondContact O-N 3.47Å; Q43-F45 VanDerWaalsContact C-N 3.34Å; F45-L48 PolarHBondContact O-N 2.91Å; F45-L49 HydrophobicContact CD1-CD1 4.18Å; F45-L49 HydrophobicContact CE1-CD1 3.65Å; F45-L49 HydrophobicContact CE2-CD1 4.02Å; F45-L49 HydrophobicContact CZ-CD1 3.56Å; F45-L49 WeakPolarHBondContact O-CG 3.47Å; F45-L49 PolarHBondContact O-N 3.43Å |
| 46 | E | 95.9 | Very high | 94.3 | Very high | 45 Ų | 45 | 40.4 Ų | 40.4 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -47.8 | 174.4 | -63.5 | -164.4 | 126.3 | 0 | 0 | 111.6 | L30 Y42 Q43 L48 L49 T50 | L30-E46 HydrophobicContact CD1-CB 4.48Å; L30-E46 HydrophobicContact CD1-CG 3.84Å; Y42-E46 HydrophobicContact CD2-CG 4.15Å; Y42-E46 HydrophobicContact CE1-CG 4.19Å; Y42-E46 HydrophobicContact CE2-CG 3.64Å; Y42-E46 WeakPolarHBondContact O-CG 3.32Å; Y42-E46 PolarHBondContact O-N 3.32Å; Y42-E46 VanDerWaalsContact OH-CD 3.3Å; Y42-E46 PolarHBondContact OH-OE1 2.9Å; Q43-E46 PolarHBondContact O-N 2.98Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-L48 PolarHBondContact O-N 2.94Å; E46-L49 PolarHBondContact O-N 3.48Å; E46-L49 VanDerWaalsContact O-N 3.13Å; E46-T50 PolarHBondContact O-N 3.41Å; E46-T50 PolarHBondContact O-OG1 3.39Å |
| 47 | D | 97.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 179.5 | -74.6 | -1.6 | 0 | 0 | 0 | 111.3 | Q43 L44 L49 T50 L55 L240 Q243 R244 L247 | Q43-D47 PolarHBondContact NE2-OD1 3.05Å; Q43-D47 VanDerWaalsContact NE2-OD1 3.1Å; Q43-D47 WeakPolarHBondContact O-CB 3.49Å; Q43-D47 PolarHBondContact O-N 3.33Å; L44-D47 PolarHBondContact O-N 3.1Å; D47-L49 PolarHBondContact O-N 2.76Å; D47-T50 PolarHBondContact O-N 3.48Å; D47-T50 VanDerWaalsContact O-N 3.13Å; D47-L55 HydrophobicContact CB-CD1 4.19Å; D47-L55 HydrophobicContact CB-CD2 4.12Å; D47-L55 WeakPolarHBondContact O-CD1 3.42Å; D47-L55 WeakPolarHBondContact OD1-CD2 3.48Å; D47-L240 WeakPolarHBondContact OD2-CD1 3.48Å; D47-Q243 PolarHBondContact OD2-NE2 3.23Å; D47-R244 IonicContact OD1-CZ 3.57Å; D47-R244 IonicContact OD1-NE 2.94Å; D47-R244 PolarHBondContact OD1-NE 3.18Å; D47-R244 IonicContact OD1-NH2 3.87Å; D47-R244 PolarHBondContact OD1-NH2 3.02Å; D47-R244 WeakPolarHBondContact OD2-CG 3.47Å; D47-R244 IonicContact OD2-CZ 3.24Å; D47-R244 IonicContact OD2-NE 3.5Å; D47-R244 PolarHBondContact OD2-NE 3.04Å; D47-R244 IonicContact OD2-NH2 3.24Å; D47-L247 HydrophobicContact CB-CD1 3.64Å |
| 48 | L | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.9 | -33.7 | 175.1 | -80.5 | 166.8 | 0 | 0 | 0 | 112.8 | M3 L6 L7 R14 L44 F45 E46 L247 | M3-L48 HydrophobicContact CE-CD1 3.66Å; M3-L48 HydrophobicContact SD-CD1 3.74Å; L6-L48 HydrophobicContact CB-CB 4.48Å; L6-L48 HydrophobicContact CB-CD1 4.16Å; L7-L48 HydrophobicContact CD2-CD1 3.81Å; L7-L48 HydrophobicContact CD2-CD2 4.48Å; L7-L48 HydrophobicContact CG-CD1 4.12Å; R14-L48 WeakPolarHBondContact CD-O 3.42Å; R14-L48 PolarHBondContact NE-O 3.22Å; L44-L48 HydrophobicContact CD1-CD1 4.22Å; L44-L48 HydrophobicContact CD1-CG 4.16Å; L44-L48 HydrophobicContact CG-CD1 4Å; L44-L48 HydrophobicContact CG-CG 4.42Å; L44-L48 VanDerWaalsContact O-CB 3.32Å; L44-L48 WeakPolarHBondContact O-CB 3.43Å; L44-L48 WeakPolarHBondContact O-CD1 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.47Å; L44-L48 PolarHBondContact O-N 3.03Å; F45-L48 PolarHBondContact O-N 2.91Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-L48 PolarHBondContact O-N 2.94Å; L48-L247 HydrophobicContact CD2-CD2 3.51Å; L48-L247 HydrophobicContact CG-CD2 4.13Å |
| 49 | L | 96.1 | Very high | 96 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -86.1 | -12.6 | 179.2 | -65.4 | 178.6 | 0 | 0 | 0 | 113.3 | L6 Q15 M18 L29 L30 F45 E46 D47 | L6-L49 HydrophobicContact CD1-CD2 3.77Å; L6-L49 HydrophobicContact CD1-CG 4.19Å; L6-L49 HydrophobicContact CD2-CD2 3.79Å; L6-L49 HydrophobicContact CG-CD2 4.45Å; Q15-L49 PolarHBondContact NE2-O 3.17Å; M18-L49 HydrophobicContact CB-CD2 4.36Å; M18-L49 HydrophobicContact SD-CB 4.2Å; L29-L49 HydrophobicContact CD2-CD1 4.24Å; L29-L49 HydrophobicContact CD2-CD2 3.62Å; L29-L49 HydrophobicContact CG-CD1 3.98Å; L29-L49 HydrophobicContact CG-CD2 4.29Å; L30-L49 HydrophobicContact CD1-CD1 4.48Å; F45-L49 HydrophobicContact CD1-CD1 4.18Å; F45-L49 HydrophobicContact CE1-CD1 3.65Å; F45-L49 HydrophobicContact CE2-CD1 4.02Å; F45-L49 HydrophobicContact CZ-CD1 3.56Å; F45-L49 WeakPolarHBondContact O-CG 3.47Å; F45-L49 PolarHBondContact O-N 3.43Å; E46-L49 PolarHBondContact O-N 3.48Å; E46-L49 VanDerWaalsContact O-N 3.13Å; D47-L49 PolarHBondContact O-N 2.76Å |
| 50 | T | 96.4 | Very high | 96.3 | Very high | 37 Ų | 37 | 24.1 Ų | 24.1 | 23% | 0.227 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -85.7 | 139.8 | -176.9 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | N11 Q15 E46 D47 I54 L55 | N11-T50 PolarHBondContact ND2-O 3.1Å; N11-T50 VanDerWaalsContact ND2-O 3.11Å; Q15-T50 PolarHBondContact NE2-O 3.27Å; E46-T50 PolarHBondContact O-N 3.41Å; E46-T50 PolarHBondContact O-OG1 3.39Å; D47-T50 PolarHBondContact O-N 3.48Å; D47-T50 VanDerWaalsContact O-N 3.13Å; T50-I54 HydrophobicContact CG2-CB 3.8Å; T50-I54 HydrophobicContact CG2-CG2 3.69Å; T50-L55 HydrophobicContact CG2-CD2 3.76Å; T50-L55 HydrophobicContact CG2-CG 3.66Å |
| 51 | D | 95.8 | Very high | 96.6 | Very high | 49 Ų | 49 | 24.1 Ų | 24.1 | 26% | 0.262 | 12% | 0.121 | S | C | . | . | trans | -60.3 | 142.1 | 174.2 | -176.9 | -95.1 | 0 | 0 | 0 | 110.9 | S53 I54 L55 | D51-S53 PolarHBondContact O-N 3.22Å; D51-S53 VanDerWaalsContact OD1-CB 3.24Å; D51-S53 WeakPolarHBondContact OD1-CB 3.29Å; D51-S53 PolarHBondContact OD1-N 3.24Å; D51-S53 PolarHBondContact OD1-OG 3.05Å; D51-I54 HydrophobicContact CB-CD1 4.11Å; D51-I54 HydrophobicContact CB-CG1 4.25Å; D51-I54 PolarHBondContact O-N 3.49Å; D51-I54 VanDerWaalsContact O-N 3.14Å; D51-L55 PolarHBondContact O-N 3.36Å; D51-L55 VanDerWaalsContact O-N 3.07Å | ||
| 52 | T | 95.6 | Very high | 96.8 | Very high | 49 Ų | 49 | 26.4 Ų | 26.4 | 30% | 0.301 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -57.6 | -38.4 | -177.1 | -62 | 0 | 0 | 0 | 0 | 111.8 | N11 I54 L55 L56 F248 | N11-T52 VanDerWaalsContact CG-OG1 3.28Å; N11-T52 PolarHBondContact ND2-OG1 3.02Å; N11-T52 VanDerWaalsContact ND2-OG1 3.11Å; T52-I54 VanDerWaalsContact C-N 3.35Å; T52-I54 PolarHBondContact O-N 3.14Å; T52-L55 PolarHBondContact O-N 3Å; T52-L56 HydrophobicContact CG2-CD1 3.64Å; T52-L56 HydrophobicContact CG2-CG 4.22Å; T52-L56 WeakPolarHBondContact O-CB 3.45Å; T52-L56 WeakPolarHBondContact O-CD1 3.3Å; T52-L56 VanDerWaalsContact O-CG 3.28Å; T52-L56 WeakPolarHBondContact O-CG 3.27Å; T52-L56 PolarHBondContact O-N 3.46Å; T52-F248 HydrophobicContact CG2-CD1 4.15Å; T52-F248 HydrophobicContact CG2-CE1 4.37Å |
| 53 | S | 96.4 | Very high | 97 | Very high | 17 Ų | 17 | 24 Ų | 24 | 12% | 0.119 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 179.9 | 70 | 0 | 0 | 0 | 0 | 112.4 | D51 A57 | D51-S53 PolarHBondContact O-N 3.22Å; D51-S53 VanDerWaalsContact OD1-CB 3.24Å; D51-S53 WeakPolarHBondContact OD1-CB 3.29Å; D51-S53 PolarHBondContact OD1-N 3.24Å; D51-S53 PolarHBondContact OD1-OG 3.05Å; S53-A57 VanDerWaalsContact O-CB 3.26Å; S53-A57 WeakPolarHBondContact O-CB 3.39Å; S53-A57 PolarHBondContact O-N 3.46Å |
| 54 | I | 97.7 | Very high | 97.1 | Very high | 53 Ų | 53 | 21.4 Ų | 21.4 | 27% | 0.272 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -69 | -44.4 | 177.1 | -61.5 | 174.7 | 0 | 0 | 0 | 110.4 | T50 D51 T52 A57 D58 A90 I93 Y94 | T50-I54 HydrophobicContact CG2-CB 3.8Å; T50-I54 HydrophobicContact CG2-CG2 3.69Å; D51-I54 HydrophobicContact CB-CD1 4.11Å; D51-I54 HydrophobicContact CB-CG1 4.25Å; D51-I54 PolarHBondContact O-N 3.49Å; D51-I54 VanDerWaalsContact O-N 3.14Å; T52-I54 VanDerWaalsContact C-N 3.35Å; T52-I54 PolarHBondContact O-N 3.14Å; I54-A57 PolarHBondContact O-N 2.99Å; I54-D58 PolarHBondContact O-N 3.37Å; I54-A90 HydrophobicContact CG1-CB 4.12Å; I54-I93 HydrophobicContact CG1-CD1 4.34Å; I54-I93 HydrophobicContact CG2-CD1 4.21Å; I54-Y94 WeakPolarHBondContact CG2-OH 3.37Å |
| 55 | L | 97.3 | Very high | 97.2 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 176.9 | -73.8 | -179.4 | 0 | 0 | 0 | 112.7 | D47 T50 D51 T52 A57 E59 R244 F248 | D47-L55 HydrophobicContact CB-CD1 4.19Å; D47-L55 HydrophobicContact CB-CD2 4.12Å; D47-L55 WeakPolarHBondContact O-CD1 3.42Å; D47-L55 WeakPolarHBondContact OD1-CD2 3.48Å; T50-L55 HydrophobicContact CG2-CD2 3.76Å; T50-L55 HydrophobicContact CG2-CG 3.66Å; D51-L55 PolarHBondContact O-N 3.36Å; D51-L55 VanDerWaalsContact O-N 3.07Å; T52-L55 PolarHBondContact O-N 3Å; L55-A57 VanDerWaalsContact C-N 3.34Å; L55-E59 VanDerWaalsContact O-CB 3.27Å; L55-E59 WeakPolarHBondContact O-CB 3.43Å; L55-E59 PolarHBondContact O-N 3.2Å; L55-R244 PolarHBondContact O-NH1 3.48Å; L55-F248 HydrophobicContact CB-CE1 3.64Å; L55-F248 HydrophobicContact CB-CZ 3.79Å; L55-F248 HydrophobicContact CD1-CE1 4.14Å |
| 56 | L | 97.5 | Very high | 97.3 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 11% | 0.11 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.7 | -38.2 | 176.2 | -75.4 | 165.3 | 0 | 0 | 0 | 111.6 | T52 E59 L60 I75 F79 V87 F248 | T52-L56 HydrophobicContact CG2-CD1 3.64Å; T52-L56 HydrophobicContact CG2-CG 4.22Å; T52-L56 WeakPolarHBondContact O-CB 3.45Å; T52-L56 WeakPolarHBondContact O-CD1 3.3Å; T52-L56 VanDerWaalsContact O-CG 3.28Å; T52-L56 WeakPolarHBondContact O-CG 3.27Å; T52-L56 PolarHBondContact O-N 3.46Å; L56-E59 PolarHBondContact O-N 2.88Å; L56-L60 WeakPolarHBondContact O-CB 3.49Å; L56-L60 PolarHBondContact O-N 3.49Å; L56-I75 HydrophobicContact CD2-CG2 4.23Å; L56-F79 HydrophobicContact CB-CZ 4.46Å; L56-F79 HydrophobicContact CD1-CE1 3.82Å; L56-F79 HydrophobicContact CD1-CZ 4.46Å; L56-F79 HydrophobicContact CD2-CE1 4.21Å; L56-F79 HydrophobicContact CG-CE1 4.43Å; L56-V87 HydrophobicContact CB-CG1 4.41Å; L56-V87 HydrophobicContact CB-CG2 3.81Å; L56-V87 HydrophobicContact CD1-CG2 4.03Å; L56-F248 HydrophobicContact CD2-CD1 4.29Å; L56-F248 HydrophobicContact CD2-CD2 3.93Å; L56-F248 HydrophobicContact CD2-CE1 4.04Å; L56-F248 HydrophobicContact CD2-CE2 3.66Å; L56-F248 HydrophobicContact CD2-CG 4.25Å; L56-F248 HydrophobicContact CD2-CZ 3.72Å; L56-F248 HydrophobicContact CG-CD1 4.36Å; L56-F248 HydrophobicContact CG-CE1 3.9Å; L56-F248 HydrophobicContact CG-CE2 4.35Å; L56-F248 HydrophobicContact CG-CZ 3.89Å |
| 57 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S53 I54 L55 E59 L60 Y61 V87 A90 Y94 | S53-A57 VanDerWaalsContact O-CB 3.26Å; S53-A57 WeakPolarHBondContact O-CB 3.39Å; S53-A57 PolarHBondContact O-N 3.46Å; I54-A57 PolarHBondContact O-N 2.99Å; L55-A57 VanDerWaalsContact C-N 3.34Å; A57-E59 VanDerWaalsContact C-N 3.35Å; A57-L60 PolarHBondContact O-N 3.46Å; A57-Y61 WeakPolarHBondContact O-CB 3.21Å; A57-Y61 PolarHBondContact O-N 2.87Å; A57-V87 HydrophobicContact CB-CG1 4.14Å; A57-A90 HydrophobicContact CB-CB 3.77Å; A57-Y94 HydrophobicContact CB-CD2 4.36Å; A57-Y94 HydrophobicContact CB-CE2 4.16Å |
| 58 | D | 98.3 | Very high | 97.3 | Very high | 21 Ų | 21 | 31.7 Ų | 31.7 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61 | -45 | 173.2 | -174.8 | 9.5 | 0 | 0 | 0 | 111.2 | I54 L60 Y61 R62 Y94 R244 | I54-D58 PolarHBondContact O-N 3.37Å; D58-L60 PolarHBondContact O-N 2.8Å; D58-Y61 WeakPolarHBondContact O-CB 3.32Å; D58-Y61 PolarHBondContact O-N 2.94Å; D58-R62 WeakPolarHBondContact O-CG 3.28Å; D58-R62 PolarHBondContact O-N 2.96Å; D58-R62 IonicContact OD1-CZ 3.82Å; D58-R62 IonicContact OD1-NE 2.76Å; D58-R62 IonicContact OD1-NH1 3.13Å; D58-R62 PolarHBondContact OD1-NH1 3.49Å; D58-R62 IonicContact OD2-CZ 3.04Å; D58-R62 IonicContact OD2-NH1 2.93Å; D58-R62 PolarHBondContact OD2-NH1 3.07Å; D58-R62 IonicContact OD2-NH2 3.97Å; D58-Y94 HydrophobicContact CB-CD2 4.37Å; D58-Y94 HydrophobicContact CB-CE1 3.96Å; D58-Y94 HydrophobicContact CB-CE2 3.67Å; D58-Y94 VanDerWaalsContact CB-CZ 3.45Å; D58-R244 VanDerWaalsContact CG-NH1 3.28Å; D58-R244 IonicContact OD2-CZ 3.26Å; D58-R244 VanDerWaalsContact OD2-CZ 3.24Å; D58-R244 IonicContact OD2-NH1 3.96Å; D58-R244 PolarHBondContact OD2-NH1 2.81Å; D58-R244 IonicContact OD2-NH2 2.73Å; D58-R244 PolarHBondContact OD2-NH2 3.01Å |
| 59 | E | 97.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.5 | -42 | 178.8 | -164.7 | 56.6 | -120 | 0 | 0 | 112.4 | L55 L56 A57 R62 A63 R71 I75 R244 | L55-E59 VanDerWaalsContact O-CB 3.27Å; L55-E59 WeakPolarHBondContact O-CB 3.43Å; L55-E59 PolarHBondContact O-N 3.2Å; L56-E59 PolarHBondContact O-N 2.88Å; A57-E59 VanDerWaalsContact C-N 3.35Å; E59-R62 PolarHBondContact O-N 3.3Å; E59-R62 IonicContact OE1-NH2 2.97Å; E59-R62 IonicContact OE2-CZ 2.73Å; E59-R62 IonicContact OE2-NE 3.97Å; E59-R62 IonicContact OE2-NH2 2.98Å; E59-R62 PolarHBondContact OE2-NH2 3.38Å; E59-A63 VanDerWaalsContact O-CB 3.3Å; E59-A63 WeakPolarHBondContact O-CB 3.35Å; E59-A63 PolarHBondContact O-N 3.46Å; E59-R71 IonicContact OE1-CZ 3.66Å; E59-R71 IonicContact OE1-NE 2.66Å; E59-R71 PolarHBondContact OE1-NE 3.25Å; E59-R71 IonicContact OE1-NH2 2.82Å; E59-R71 PolarHBondContact OE1-NH2 3.26Å; E59-R71 IonicContact OE2-NH2 2.74Å; E59-R71 PolarHBondContact OE2-NH2 3.07Å; E59-I75 HydrophobicContact CB-CD1 4.11Å; E59-I75 HydrophobicContact CG-CD1 3.75Å; E59-R244 VanDerWaalsContact OE2-CD 3.23Å; E59-R244 WeakPolarHBondContact OE2-CD 3.37Å |
| 60 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 174.7 | -177.2 | 60.6 | 0 | 0 | 0 | 110.9 | L56 A57 D58 A63 I64 T72 I75 L76 V87 Y91 F99 | L56-L60 WeakPolarHBondContact O-CB 3.49Å; L56-L60 PolarHBondContact O-N 3.49Å; A57-L60 PolarHBondContact O-N 3.46Å; D58-L60 PolarHBondContact O-N 2.8Å; L60-A63 PolarHBondContact O-N 3.23Å; L60-I64 HydrophobicContact CD1-CD1 3.84Å; L60-I64 HydrophobicContact CD1-CG1 4.2Å; L60-I64 HydrophobicContact CG-CD1 3.76Å; L60-I64 WeakPolarHBondContact O-CD1 3.48Å; L60-I64 WeakPolarHBondContact O-CG1 3.44Å; L60-I64 PolarHBondContact O-N 2.82Å; L60-T72 HydrophobicContact CD1-CG2 3.89Å; L60-I75 HydrophobicContact CB-CD1 4.35Å; L60-I75 HydrophobicContact CB-CG2 4.49Å; L60-I75 HydrophobicContact CD1-CG2 4.44Å; L60-L76 HydrophobicContact CD1-CD1 4.46Å; L60-L76 HydrophobicContact CD1-CD2 4.36Å; L60-L76 HydrophobicContact CD1-CG 4.19Å; L60-L76 HydrophobicContact CD2-CD2 4.11Å; L60-V87 HydrophobicContact CD2-CG1 4.37Å; L60-Y91 HydrophobicContact CD2-CD2 4.42Å; L60-Y91 HydrophobicContact CG-CE2 4.35Å; L60-F99 HydrophobicContact CD2-CB 4.33Å; L60-F99 HydrophobicContact CD2-CD1 4.09Å; L60-F99 HydrophobicContact CD2-CD2 4.07Å; L60-F99 HydrophobicContact CD2-CE1 4.43Å; L60-F99 HydrophobicContact CD2-CE2 4.42Å; L60-F99 HydrophobicContact CD2-CG 3.91Å |
| 61 | Y | 98.5 | Very high | 97.6 | Very high | 73 Ų | 73 | 37 Ų | 37 | 29% | 0.286 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.3 | -51.9 | 176.7 | 177 | -96.2 | 0 | 0 | 0 | 111.1 | A57 D58 A63 I64 M65 Y91 Y94 | A57-Y61 WeakPolarHBondContact O-CB 3.21Å; A57-Y61 PolarHBondContact O-N 2.87Å; D58-Y61 WeakPolarHBondContact O-CB 3.32Å; D58-Y61 PolarHBondContact O-N 2.94Å; Y61-A63 PolarHBondContact O-N 2.93Å; Y61-I64 PolarHBondContact O-N 3.31Å; Y61-M65 HydrophobicContact CD1-CG 4.19Å; Y61-M65 HydrophobicContact CD2-CG 4.18Å; Y61-M65 HydrophobicContact CE1-CG 3.82Å; Y61-M65 HydrophobicContact CE2-CE 4.25Å; Y61-M65 HydrophobicContact CE2-CG 3.82Å; Y61-M65 HydrophobicContact CE2-SD 4.21Å; Y61-M65 HydrophobicContact CG-CG 4.35Å; Y61-M65 WeakPolarHBondContact O-CB 3.47Å; Y61-M65 VanDerWaalsContact O-CG 3.3Å; Y61-M65 WeakPolarHBondContact O-CG 3.32Å; Y61-M65 PolarHBondContact O-N 3.17Å; Y61-Y91 HydrophobicContact CD2-CE2 4.13Å; Y61-Y91 AromaticContact CD2-CZ 3.78Å; Y61-Y91 WeakPolarHBondContact CD2-OH 3.37Å; Y61-Y91 HydrophobicContact CG-CE2 4.39Å; Y61-Y94 VanDerWaalsContact CE2-O 3.28Å; Y61-Y94 WeakPolarHBondContact CE2-O 3.2Å; Y61-Y94 HydrophobicContact CG-CG 4.46Å |
| 62 | R | 98.1 | Very high | 97.7 | Very high | 65 Ų | 65 | 34.7 Ų | 34.7 | 25% | 0.245 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 178.3 | -70.4 | -169.5 | -63.5 | -116.9 | 11 | 112.5 | D58 E59 I64 M65 S66 | D58-R62 WeakPolarHBondContact O-CG 3.28Å; D58-R62 PolarHBondContact O-N 2.96Å; D58-R62 IonicContact OD1-CZ 3.82Å; D58-R62 IonicContact OD1-NE 2.76Å; D58-R62 IonicContact OD1-NH1 3.13Å; D58-R62 PolarHBondContact OD1-NH1 3.49Å; D58-R62 IonicContact OD2-CZ 3.04Å; D58-R62 IonicContact OD2-NH1 2.93Å; D58-R62 PolarHBondContact OD2-NH1 3.07Å; D58-R62 IonicContact OD2-NH2 3.97Å; E59-R62 PolarHBondContact O-N 3.3Å; E59-R62 IonicContact OE1-NH2 2.97Å; E59-R62 IonicContact OE2-CZ 2.73Å; E59-R62 IonicContact OE2-NE 3.97Å; E59-R62 IonicContact OE2-NH2 2.98Å; E59-R62 PolarHBondContact OE2-NH2 3.38Å; R62-I64 PolarHBondContact O-N 3.25Å; R62-M65 PolarHBondContact O-N 3.22Å; R62-S66 WeakPolarHBondContact O-CB 3.46Å; R62-S66 PolarHBondContact O-N 3.41Å; R62-S66 PolarHBondContact O-OG 3.35Å |
| 63 | A | 98 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E59 L60 Y61 S66 S67 D68 R71 T72 | E59-A63 VanDerWaalsContact O-CB 3.3Å; E59-A63 WeakPolarHBondContact O-CB 3.35Å; E59-A63 PolarHBondContact O-N 3.46Å; L60-A63 PolarHBondContact O-N 3.23Å; Y61-A63 PolarHBondContact O-N 2.93Å; A63-S66 PolarHBondContact O-OG 3.41Å; A63-S67 PolarHBondContact O-N 3.02Å; A63-D68 PolarHBondContact O-N 2.91Å; A63-R71 HydrophobicContact CB-CB 3.9Å; A63-R71 HydrophobicContact CB-CG 3.83Å; A63-T72 WeakPolarHBondContact CB-OG1 3.45Å |
| 64 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.8 | -46.5 | 179.4 | -62.9 | 162.1 | 0 | 0 | 0 | 110.9 | L60 Y61 R62 S66 S67 T72 Y91 F99 I103 H106 F107 | L60-I64 HydrophobicContact CD1-CD1 3.84Å; L60-I64 HydrophobicContact CD1-CG1 4.2Å; L60-I64 HydrophobicContact CG-CD1 3.76Å; L60-I64 WeakPolarHBondContact O-CD1 3.48Å; L60-I64 WeakPolarHBondContact O-CG1 3.44Å; L60-I64 PolarHBondContact O-N 2.82Å; Y61-I64 PolarHBondContact O-N 3.31Å; R62-I64 PolarHBondContact O-N 3.25Å; I64-S66 VanDerWaalsContact C-N 3.28Å; I64-S66 PolarHBondContact O-N 2.9Å; I64-S67 WeakPolarHBondContact O-CA 3.36Å; I64-S67 PolarHBondContact O-N 2.8Å; I64-T72 HydrophobicContact CG1-CG2 3.92Å; I64-Y91 HydrophobicContact CD1-CE2 4.46Å; I64-F99 HydrophobicContact CD1-CB 3.88Å; I64-I103 HydrophobicContact CD1-CD1 4.18Å; I64-I103 HydrophobicContact CD1-CG1 3.66Å; I64-I103 HydrophobicContact CG1-CG1 3.97Å; I64-H106 HydrophobicContact CG2-CB 4.25Å; I64-H106 VanDerWaalsContact CG2-CD2 3.49Å; I64-H106 WeakPolarHBondContact CG2-CD2 3.47Å; I64-F107 HydrophobicContact CG1-CE2 4.34Å; I64-F107 HydrophobicContact CG2-CE2 4.27Å |
| 65 | M | 97.6 | Very high | 97.9 | Very high | 72 Ų | 72 | 30.6 Ų | 30.6 | 36% | 0.355 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.3 | -31.1 | -178.1 | -67.8 | -56.4 | 113.5 | 0 | 0 | 112.8 | Y61 R62 S67 | Y61-M65 HydrophobicContact CD1-CG 4.19Å; Y61-M65 HydrophobicContact CD2-CG 4.18Å; Y61-M65 HydrophobicContact CE1-CG 3.82Å; Y61-M65 HydrophobicContact CE2-CE 4.25Å; Y61-M65 HydrophobicContact CE2-CG 3.82Å; Y61-M65 HydrophobicContact CE2-SD 4.21Å; Y61-M65 HydrophobicContact CG-CG 4.35Å; Y61-M65 WeakPolarHBondContact O-CB 3.47Å; Y61-M65 VanDerWaalsContact O-CG 3.3Å; Y61-M65 WeakPolarHBondContact O-CG 3.32Å; Y61-M65 PolarHBondContact O-N 3.17Å; R62-M65 PolarHBondContact O-N 3.22Å; M65-S67 VanDerWaalsContact C-N 3.25Å; M65-S67 PolarHBondContact O-N 3.45Å |
| 66 | S | 96.9 | Very high | 97.9 | Very high | 81 Ų | 81 | 30.3 Ų | 30.3 | 57% | 0.566 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2.6 | 172.8 | 59 | 0 | 0 | 0 | 0 | 113.8 | R62 A63 I64 D68 | R62-S66 WeakPolarHBondContact O-CB 3.46Å; R62-S66 PolarHBondContact O-N 3.41Å; R62-S66 PolarHBondContact O-OG 3.35Å; A63-S66 PolarHBondContact O-OG 3.41Å; I64-S66 VanDerWaalsContact C-N 3.28Å; I64-S66 PolarHBondContact O-N 2.9Å; S66-D68 PolarHBondContact O-N 3.44Å |
| 67 | S | 97.7 | Very high | 97.8 | Very high | 67 Ų | 67 | 29.3 Ų | 29.3 | 47% | 0.469 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 31.4 | -174.8 | -51.3 | 0 | 0 | 0 | 0 | 113.5 | A63 I64 M65 L69 F107 | A63-S67 PolarHBondContact O-N 3.02Å; I64-S67 WeakPolarHBondContact O-CA 3.36Å; I64-S67 PolarHBondContact O-N 2.8Å; M65-S67 VanDerWaalsContact C-N 3.25Å; M65-S67 PolarHBondContact O-N 3.45Å; S67-L69 PolarHBondContact O-N 3.03Å; S67-L69 VanDerWaalsContact O-N 3.14Å; S67-F107 WeakPolarHBondContact O-CE1 3.38Å |
| 68 | D | 97.2 | Very high | 97.7 | Very high | 45 Ų | 45 | 30.7 Ų | 30.7 | 24% | 0.241 | 16% | 0.155 | C | C | . | . | trans | -84.4 | 82.7 | 174.1 | -171.1 | -17.7 | 0 | 0 | 0 | 110.7 | A63 S66 R70 R71 T72 | A63-D68 PolarHBondContact O-N 2.91Å; S66-D68 PolarHBondContact O-N 3.44Å; D68-R70 PolarHBondContact O-N 2.85Å; D68-R70 WeakPolarHBondContact OD1-CB 3.32Å; D68-R70 PolarHBondContact OD1-N 3.15Å; D68-R70 VanDerWaalsContact OD1-N 3.13Å; D68-R71 HydrophobicContact CB-CB 4.04Å; D68-R71 PolarHBondContact O-N 3.07Å; D68-R71 WeakPolarHBondContact OD1-CB 3.21Å; D68-R71 PolarHBondContact OD1-N 3.37Å; D68-R71 WeakPolarHBondContact OD2-CB 3.36Å; D68-T72 PolarHBondContact O-N 3.28Å; D68-T72 PolarHBondContact O-OG1 2.89Å; D68-T72 VanDerWaalsContact O-OG1 3.11Å | ||
| 69 | L | 98.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 6% | 0.063 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.3 | -35.3 | 178.6 | 178.7 | 59 | 0 | 0 | 0 | 112.5 | S67 R71 T73 F107 V111 L115 Q205 I209 | S67-L69 PolarHBondContact O-N 3.03Å; S67-L69 VanDerWaalsContact O-N 3.14Å; L69-R71 VanDerWaalsContact C-N 3.35Å; L69-T73 VanDerWaalsContact O-CB 3.23Å; L69-T73 WeakPolarHBondContact O-CB 3.28Å; L69-T73 PolarHBondContact O-N 3.18Å; L69-T73 PolarHBondContact O-OG1 3.23Å; L69-F107 HydrophobicContact CB-CD1 3.87Å; L69-F107 HydrophobicContact CB-CE1 3.61Å; L69-F107 HydrophobicContact CB-CZ 4.16Å; L69-F107 HydrophobicContact CD1-CB 4.43Å; L69-F107 HydrophobicContact CD1-CD1 4.05Å; L69-F107 HydrophobicContact CD1-CD2 4.16Å; L69-F107 HydrophobicContact CD1-CE1 4.32Å; L69-F107 HydrophobicContact CD1-CE2 4.42Å; L69-F107 HydrophobicContact CD1-CG 3.95Å; L69-F107 HydrophobicContact CD1-CZ 4.49Å; L69-F107 HydrophobicContact CG-CD1 4.4Å; L69-V111 HydrophobicContact CD1-CG1 3.67Å; L69-L115 HydrophobicContact CD1-CD1 4.41Å; L69-Q205 HydrophobicContact CD2-CB 3.43Å; L69-Q205 VanDerWaalsContact CD2-CB 3.43Å; L69-Q205 HydrophobicContact CD2-CG 3.55Å; L69-I209 HydrophobicContact CD1-CD1 4.27Å; L69-I209 HydrophobicContact CD1-CG1 4.42Å; L69-I209 HydrophobicContact CD2-CD1 4.42Å; L69-I209 HydrophobicContact CD2-CG1 4.42Å |
| 70 | R | 97.9 | Very high | 97.2 | Very high | 110 Ų | 110 | 31.8 Ų | 31.8 | 42% | 0.415 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.6 | -44.9 | -176.5 | -177.6 | 179.1 | 176.8 | -175 | -4.3 | 109.7 | D68 T73 S74 L227 D230 | D68-R70 PolarHBondContact O-N 2.85Å; D68-R70 WeakPolarHBondContact OD1-CB 3.32Å; D68-R70 PolarHBondContact OD1-N 3.15Å; D68-R70 VanDerWaalsContact OD1-N 3.13Å; R70-T73 PolarHBondContact O-N 3.36Å; R70-S74 WeakPolarHBondContact O-CB 3.23Å; R70-S74 PolarHBondContact O-N 3.47Å; R70-L227 HydrophobicContact CG-CD2 3.92Å; R70-D230 IonicContact CZ-OD2 3.76Å; R70-D230 IonicContact NH1-OD2 3.45Å; R70-D230 PolarHBondContact NH1-OD2 3.1Å; R70-D230 IonicContact NH2-OD2 3.32Å; R70-D230 PolarHBondContact NH2-OD2 3.23Å |
| 71 | R | 97.7 | Very high | 96.8 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 12% | 0.121 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69 | -46.6 | 177.8 | -167.7 | 171.3 | -172.1 | 116.8 | 13.3 | 112.3 | E59 A63 D68 L69 T73 S74 I75 E231 D238 G241 | E59-R71 IonicContact OE1-CZ 3.66Å; E59-R71 IonicContact OE1-NE 2.66Å; E59-R71 PolarHBondContact OE1-NE 3.25Å; E59-R71 IonicContact OE1-NH2 2.82Å; E59-R71 PolarHBondContact OE1-NH2 3.26Å; E59-R71 IonicContact OE2-NH2 2.74Å; E59-R71 PolarHBondContact OE2-NH2 3.07Å; A63-R71 HydrophobicContact CB-CB 3.9Å; A63-R71 HydrophobicContact CB-CG 3.83Å; D68-R71 HydrophobicContact CB-CB 4.04Å; D68-R71 PolarHBondContact O-N 3.07Å; D68-R71 WeakPolarHBondContact OD1-CB 3.21Å; D68-R71 PolarHBondContact OD1-N 3.37Å; D68-R71 WeakPolarHBondContact OD2-CB 3.36Å; L69-R71 VanDerWaalsContact C-N 3.35Å; R71-T73 VanDerWaalsContact C-N 3.27Å; R71-T73 PolarHBondContact O-N 3.19Å; R71-S74 PolarHBondContact O-N 2.77Å; R71-S74 VanDerWaalsContact O-N 3.11Å; R71-S74 PolarHBondContact O-OG 3.41Å; R71-I75 HydrophobicContact CG-CD1 4.39Å; R71-I75 WeakPolarHBondContact O-CG1 3.47Å; R71-I75 PolarHBondContact O-N 3.35Å; R71-I75 VanDerWaalsContact O-N 3.14Å; R71-E231 IonicContact NH1-OE2 3.87Å; R71-D238 IonicContact CZ-OD2 2.72Å; R71-D238 VanDerWaalsContact CZ-OD2 3.24Å; R71-D238 IonicContact NH1-OD2 2.68Å; R71-D238 PolarHBondContact NH1-OD2 3.48Å; R71-D238 IonicContact NH2-OD2 3.15Å; R71-G241 PolarHBondContact NH2-O 3.17Å |
| 72 | T | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -52.9 | -46.7 | 172.3 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | L60 A63 I64 D68 I75 L76 I103 F107 L115 | L60-T72 HydrophobicContact CD1-CG2 3.89Å; A63-T72 WeakPolarHBondContact CB-OG1 3.45Å; I64-T72 HydrophobicContact CG1-CG2 3.92Å; D68-T72 PolarHBondContact O-N 3.28Å; D68-T72 PolarHBondContact O-OG1 2.89Å; D68-T72 VanDerWaalsContact O-OG1 3.11Å; T72-I75 PolarHBondContact O-N 3.32Å; T72-L76 HydrophobicContact CG2-CD1 3.95Å; T72-L76 WeakPolarHBondContact O-CG 3.42Å; T72-L76 PolarHBondContact O-N 3.35Å; T72-I103 HydrophobicContact CG2-CD1 4.11Å; T72-I103 HydrophobicContact CG2-CG1 4.22Å; T72-F107 HydrophobicContact CG2-CE2 4.16Å; T72-L115 HydrophobicContact CG2-CD1 4.47Å |
| 73 | T | 98.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 177.9 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | L69 R70 R71 I75 L76 I77 L115 I209 A212 | L69-T73 VanDerWaalsContact O-CB 3.23Å; L69-T73 WeakPolarHBondContact O-CB 3.28Å; L69-T73 PolarHBondContact O-N 3.18Å; L69-T73 PolarHBondContact O-OG1 3.23Å; R70-T73 PolarHBondContact O-N 3.36Å; R71-T73 VanDerWaalsContact C-N 3.27Å; R71-T73 PolarHBondContact O-N 3.19Å; T73-I75 PolarHBondContact O-N 2.65Å; T73-L76 PolarHBondContact O-N 2.87Å; T73-I77 HydrophobicContact CG2-CD1 4.43Å; T73-I77 HydrophobicContact CG2-CG2 3.81Å; T73-I77 VanDerWaalsContact O-CG1 3.32Å; T73-I77 WeakPolarHBondContact O-CG1 3.32Å; T73-I77 WeakPolarHBondContact O-CG2 3.38Å; T73-I77 PolarHBondContact O-N 3.43Å; T73-L115 HydrophobicContact CG2-CD2 4.03Å; T73-I209 HydrophobicContact CG2-CG1 4.33Å; T73-I209 HydrophobicContact CG2-CG2 4.34Å; T73-A212 HydrophobicContact CG2-CB 3.81Å |
| 74 | S | 97.8 | Very high | 96 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 11% | 0.112 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.2 | -34.2 | -177.5 | 74.7 | 0 | 0 | 0 | 0 | 114 | R70 R71 | R70-S74 WeakPolarHBondContact O-CB 3.23Å; R70-S74 PolarHBondContact O-N 3.47Å; R71-S74 PolarHBondContact O-N 2.77Å; R71-S74 VanDerWaalsContact O-N 3.11Å; R71-S74 PolarHBondContact O-OG 3.41Å |
| 75 | I | 97.4 | Very high | 95.7 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.3 | -55.3 | 176.7 | -65 | 163.9 | 0 | 0 | 0 | 109.8 | L56 E59 L60 R71 T72 T73 I77 D78 F79 | L56-I75 HydrophobicContact CD2-CG2 4.23Å; E59-I75 HydrophobicContact CB-CD1 4.11Å; E59-I75 HydrophobicContact CG-CD1 3.75Å; L60-I75 HydrophobicContact CB-CD1 4.35Å; L60-I75 HydrophobicContact CB-CG2 4.49Å; L60-I75 HydrophobicContact CD1-CG2 4.44Å; R71-I75 HydrophobicContact CG-CD1 4.39Å; R71-I75 WeakPolarHBondContact O-CG1 3.47Å; R71-I75 PolarHBondContact O-N 3.35Å; R71-I75 VanDerWaalsContact O-N 3.14Å; T72-I75 PolarHBondContact O-N 3.32Å; T73-I75 PolarHBondContact O-N 2.65Å; I75-I77 VanDerWaalsContact C-N 3.34Å; I75-I77 PolarHBondContact O-N 3.26Å; I75-D78 PolarHBondContact O-N 3.5Å; I75-F79 HydrophobicContact CG2-CE1 3.84Å; I75-F79 HydrophobicContact CG2-CE2 4.11Å; I75-F79 HydrophobicContact CG2-CZ 3.35Å |
| 76 | L | 97.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66 | -33.6 | -173.9 | -67.6 | 173.3 | 0 | 0 | 0 | 113.4 | L60 T72 T73 D78 F79 F99 W100 I103 L115 V119 | L60-L76 HydrophobicContact CD1-CD1 4.46Å; L60-L76 HydrophobicContact CD1-CD2 4.36Å; L60-L76 HydrophobicContact CD1-CG 4.19Å; L60-L76 HydrophobicContact CD2-CD2 4.11Å; T72-L76 HydrophobicContact CG2-CD1 3.95Å; T72-L76 WeakPolarHBondContact O-CG 3.42Å; T72-L76 PolarHBondContact O-N 3.35Å; T73-L76 PolarHBondContact O-N 2.87Å; L76-D78 PolarHBondContact O-N 2.96Å; L76-F79 HydrophobicContact CD2-CD2 4.2Å; L76-F79 HydrophobicContact CD2-CE2 3.86Å; L76-F99 HydrophobicContact CD2-CE2 4.22Å; L76-W100 HydrophobicContact CD1-CH2 4.36Å; L76-W100 HydrophobicContact CD1-CZ3 4.3Å; L76-I103 HydrophobicContact CD1-CD1 3.68Å; L76-L115 HydrophobicContact CD1-CB 4.3Å; L76-L115 HydrophobicContact CD1-CD1 4.06Å; L76-V119 HydrophobicContact CB-CG2 4.26Å; L76-V119 HydrophobicContact CD2-CG2 4.42Å |
| 77 | I | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -0.6 | 176.8 | 76.7 | 174.2 | 0 | 0 | 0 | 113 | T73 I75 I118 R122 A212 Y216 Y223 | T73-I77 HydrophobicContact CG2-CD1 4.43Å; T73-I77 HydrophobicContact CG2-CG2 3.81Å; T73-I77 VanDerWaalsContact O-CG1 3.32Å; T73-I77 WeakPolarHBondContact O-CG1 3.32Å; T73-I77 WeakPolarHBondContact O-CG2 3.38Å; T73-I77 PolarHBondContact O-N 3.43Å; I75-I77 VanDerWaalsContact C-N 3.34Å; I75-I77 PolarHBondContact O-N 3.26Å; I77-I118 HydrophobicContact CG2-CD1 4.24Å; I77-I118 HydrophobicContact CG2-CG2 4.18Å; I77-R122 PolarHBondContact O-NH1 2.65Å; I77-R122 PolarHBondContact O-NH2 2.95Å; I77-A212 HydrophobicContact CD1-CB 4.1Å; I77-Y216 HydrophobicContact CD1-CD2 4.03Å; I77-Y216 HydrophobicContact CD1-CG 3.96Å; I77-Y216 HydrophobicContact CG1-CD2 4.14Å; I77-Y216 HydrophobicContact CG1-CG 4.37Å; I77-Y223 HydrophobicContact CD1-CE1 3.97Å |
| 78 | D | 95.4 | Very high | 95.6 | Very high | 28 Ų | 28 | 35.2 Ų | 35.2 | 15% | 0.15 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -21.6 | 175.7 | -157.1 | 34.3 | 0 | 0 | 0 | 112.3 | I75 L76 Y216 K220 F224 R249 | I75-D78 PolarHBondContact O-N 3.5Å; L76-D78 PolarHBondContact O-N 2.96Å; D78-Y216 HydrophobicContact CB-CE2 4.4Å; D78-Y216 WeakPolarHBondContact OD1-CE2 3.42Å; D78-Y216 PolarHBondContact OD1-OH 2.81Å; D78-Y216 VanDerWaalsContact OD1-OH 3.13Å; D78-K220 WeakPolarHBondContact OD1-CE 3.43Å; D78-K220 IonicContact OD1-NZ 3.88Å; D78-K220 PolarHBondContact OD1-NZ 3.47Å; D78-F224 HydrophobicContact CB-CZ 4.23Å; D78-R249 IonicContact OD1-NH1 2.99Å; D78-R249 IonicContact OD2-CZ 3.55Å; D78-R249 IonicContact OD2-NH1 3.72Å; D78-R249 PolarHBondContact OD2-NH1 3.1Å |
| 79 | F | 93.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | trans | -64.8 | 146.1 | -177 | -62.2 | -20.3 | 0 | 0 | 0 | 114.3 | L56 I75 L76 E83 F84 V87 R122 | L56-F79 HydrophobicContact CB-CZ 4.46Å; L56-F79 HydrophobicContact CD1-CE1 3.82Å; L56-F79 HydrophobicContact CD1-CZ 4.46Å; L56-F79 HydrophobicContact CD2-CE1 4.21Å; L56-F79 HydrophobicContact CG-CE1 4.43Å; I75-F79 HydrophobicContact CG2-CE1 3.84Å; I75-F79 HydrophobicContact CG2-CE2 4.11Å; I75-F79 HydrophobicContact CG2-CZ 3.35Å; L76-F79 HydrophobicContact CD2-CD2 4.2Å; L76-F79 HydrophobicContact CD2-CE2 3.86Å; F79-E83 WeakPolarHBondContact CA-OE2 3.36Å; F79-F84 HydrophobicContact CD2-CB 4.42Å; F79-F84 HydrophobicContact CD2-CD2 4.28Å; F79-V87 HydrophobicContact CE1-CG2 4.16Å; F79-V87 HydrophobicContact CE2-CB 4.17Å; F79-V87 HydrophobicContact CE2-CG1 4.05Å; F79-V87 HydrophobicContact CE2-CG2 4.26Å; F79-V87 HydrophobicContact CZ-CB 4.08Å; F79-V87 HydrophobicContact CZ-CG1 3.89Å; F79-V87 HydrophobicContact CZ-CG2 3.74Å; F79-R122 WeakPolarHBondContact O-CD 3.46Å | ||
| 80 | W | 92 | Very high | 95.5 | Very high | 40 Ų | 40 | 37.6 Ų | 37.6 | 15% | 0.152 | 19% | 0.186 | C | C | . | . | trans | -139.2 | 154 | 173.5 | -69.5 | 93.6 | 0 | 0 | 0 | 111.8 | D82 E83 R122 E125 D175 P176 F177 | W80-D82 PolarHBondContact O-N 2.94Å; W80-E83 PolarHBondContact N-OE2 3.34Å; W80-E83 VanDerWaalsContact O-CB 3.31Å; W80-E83 WeakPolarHBondContact O-CB 3.44Å; W80-E83 WeakPolarHBondContact O-CG 3.12Å; W80-E83 PolarHBondContact O-N 2.97Å; W80-E83 VanDerWaalsContact O-N 3.14Å; W80-R122 HydrophobicContact CD2-CB 4.45Å; W80-R122 HydrophobicContact CE3-CB 4.04Å; W80-R122 HydrophobicContact CE3-CG 4.32Å; W80-R122 HydrophobicContact CZ3-CB 4.35Å; W80-R122 HydrophobicContact CZ3-CG 4.24Å; W80-E125 HydrophobicContact CE3-CG 4.42Å; W80-D175 HydrophobicContact CH2-CB 4.38Å; W80-P176 HydrophobicContact CH2-CG 4.12Å; W80-P176 HydrophobicContact CZ2-CG 3.76Å; W80-F177 HydrophobicContact CH2-CD2 4.48Å; W80-F177 AromaticContact CH2-CE2 3.92Å; W80-F177 HydrophobicContact CH2-CE2 3.92Å; W80-F177 HydrophobicContact CZ2-CE2 4.31Å | ||
| 81 | G | 91.3 | Very high | 95.5 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 18% | 0.175 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -127.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R122 | G81-R122 PolarHBondContact N-O 2.73Š|
| 82 | D | 91.7 | Very high | 95.5 | Very high | 96 Ų | 96 | 37.7 Ų | 37.7 | 51% | 0.513 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -4.2 | -177.9 | 71.9 | -33.3 | 0 | 0 | 0 | 114.1 | W80 F84 D85 Q86 | W80-D82 PolarHBondContact O-N 2.94Å; D82-F84 PolarHBondContact O-N 2.69Å; D82-F84 VanDerWaalsContact O-N 3.14Å; D82-D85 PolarHBondContact O-N 2.98Å; D82-Q86 WeakPolarHBondContact O-CG 3.42Å; D82-Q86 PolarHBondContact O-N 2.73Å; D82-Q86 PolarHBondContact OD2-NE2 3.42Å |
| 83 | E | 92.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 42.9 Ų | 42.9 | 38% | 0.379 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -54.5 | -36.8 | 176.5 | -66 | 179.9 | 132.4 | 0 | 0 | 111.1 | F79 W80 Q86 V87 | F79-E83 WeakPolarHBondContact CA-OE2 3.36Å; W80-E83 PolarHBondContact N-OE2 3.34Å; W80-E83 VanDerWaalsContact O-CB 3.31Å; W80-E83 WeakPolarHBondContact O-CB 3.44Å; W80-E83 WeakPolarHBondContact O-CG 3.12Å; W80-E83 PolarHBondContact O-N 2.97Å; W80-E83 VanDerWaalsContact O-N 3.14Å; E83-Q86 PolarHBondContact O-N 3.05Å; E83-V87 VanDerWaalsContact O-CG2 3.3Å; E83-V87 WeakPolarHBondContact O-CG2 3.43Å; E83-V87 PolarHBondContact O-N 3.42Å |
| 84 | F | 92.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -50 | 175.5 | 172.5 | -92.9 | 0 | 0 | 0 | 112.3 | F79 D82 Q86 V87 E88 F99 W100 V119 | F79-F84 HydrophobicContact CD2-CB 4.42Å; F79-F84 HydrophobicContact CD2-CD2 4.28Å; D82-F84 PolarHBondContact O-N 2.69Å; D82-F84 VanDerWaalsContact O-N 3.14Å; F84-Q86 VanDerWaalsContact C-N 3.28Å; F84-Q86 PolarHBondContact O-N 3.13Å; F84-V87 PolarHBondContact O-N 2.89Å; F84-E88 HydrophobicContact CE1-CB 4.41Å; F84-E88 VanDerWaalsContact CE1-OE2 3.31Å; F84-E88 WeakPolarHBondContact CE1-OE2 3.34Å; F84-E88 WeakPolarHBondContact O-CB 3.05Å; F84-E88 PolarHBondContact O-N 3.17Å; F84-F99 HydrophobicContact CD2-CZ 4.38Å; F84-F99 HydrophobicContact CE2-CE1 4.45Å; F84-F99 HydrophobicContact CE2-CE2 4.09Å; F84-F99 AromaticContact CE2-CZ 3.43Å; F84-F99 HydrophobicContact CE2-CZ 3.43Å; F84-F99 VanDerWaalsContact CE2-CZ 3.43Å; F84-F99 AromaticContact CZ-CZ 3.73Å; F84-F99 HydrophobicContact CZ-CZ 3.73Å; F84-W100 AromaticContact CE2-CZ2 3.53Å; F84-W100 HydrophobicContact CE2-CZ2 3.53Å; F84-W100 AromaticContact CE2-NE1 3.99Å; F84-W100 AromaticContact CZ-CE2 3.97Å; F84-W100 AromaticContact CZ-CZ2 3.87Å; F84-W100 HydrophobicContact CZ-CZ2 3.87Å; F84-W100 AromaticContact CZ-NE1 3.5Å; F84-V119 HydrophobicContact CB-CG1 4.23Å; F84-V119 HydrophobicContact CD1-CG1 4.21Å; F84-V119 HydrophobicContact CD2-CB 4.35Å; F84-V119 HydrophobicContact CD2-CG1 3.18Å; F84-V119 HydrophobicContact CD2-CG2 4.28Å; F84-V119 HydrophobicContact CE1-CG1 4.47Å; F84-V119 HydrophobicContact CE2-CB 4.46Å; F84-V119 HydrophobicContact CE2-CG1 3.45Å; F84-V119 VanDerWaalsContact CE2-CG1 3.45Å; F84-V119 HydrophobicContact CE2-CG2 4.44Å; F84-V119 HydrophobicContact CG-CG1 3.58Å; F84-V119 HydrophobicContact CZ-CG1 4.13Å |
| 85 | D | 94 | Very high | 95.4 | Very high | 80 Ų | 80 | 46.3 Ų | 46.3 | 43% | 0.428 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.4 | -34.8 | -176.9 | -64.4 | -34.8 | 0 | 0 | 0 | 110.5 | D82 N89 K123 | D82-D85 PolarHBondContact O-N 2.98Å; D85-N89 WeakPolarHBondContact O-CB 3.4Å; D85-N89 PolarHBondContact O-N 3.37Å; D85-K123 IonicContact OD1-NZ 2.68Å |
| 86 | Q | 95.9 | Very high | 95.3 | Very high | 88 Ų | 88 | 54.2 Ų | 54.2 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 174.1 | -65.3 | 176 | 18.2 | 0 | 0 | 111.7 | D82 E83 F84 N89 A90 | D82-Q86 WeakPolarHBondContact O-CG 3.42Å; D82-Q86 PolarHBondContact O-N 2.73Å; D82-Q86 PolarHBondContact OD2-NE2 3.42Å; E83-Q86 PolarHBondContact O-N 3.05Å; F84-Q86 VanDerWaalsContact C-N 3.28Å; F84-Q86 PolarHBondContact O-N 3.13Å; Q86-N89 PolarHBondContact O-N 3.47Å; Q86-A90 WeakPolarHBondContact O-CB 3.14Å; Q86-A90 PolarHBondContact O-N 3.47Å |
| 87 | V | 96.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 177.8 | 173 | 0 | 0 | 0 | 0 | 111.2 | L56 A57 L60 F79 E83 F84 N89 A90 Y91 | L56-V87 HydrophobicContact CB-CG1 4.41Å; L56-V87 HydrophobicContact CB-CG2 3.81Å; L56-V87 HydrophobicContact CD1-CG2 4.03Å; A57-V87 HydrophobicContact CB-CG1 4.14Å; L60-V87 HydrophobicContact CD2-CG1 4.37Å; F79-V87 HydrophobicContact CE1-CG2 4.16Å; F79-V87 HydrophobicContact CE2-CB 4.17Å; F79-V87 HydrophobicContact CE2-CG1 4.05Å; F79-V87 HydrophobicContact CE2-CG2 4.26Å; F79-V87 HydrophobicContact CZ-CB 4.08Å; F79-V87 HydrophobicContact CZ-CG1 3.89Å; F79-V87 HydrophobicContact CZ-CG2 3.74Å; E83-V87 VanDerWaalsContact O-CG2 3.3Å; E83-V87 WeakPolarHBondContact O-CG2 3.43Å; E83-V87 PolarHBondContact O-N 3.42Å; F84-V87 PolarHBondContact O-N 2.89Å; V87-N89 VanDerWaalsContact C-N 3.31Å; V87-N89 PolarHBondContact O-N 2.98Å; V87-A90 PolarHBondContact O-N 2.99Å; V87-Y91 WeakPolarHBondContact O-CB 3.3Å; V87-Y91 PolarHBondContact O-N 3.13Å |
| 88 | E | 95.7 | Very high | 95.2 | Very high | 62 Ų | 62 | 61 Ų | 61 | 29% | 0.29 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 175.8 | -175.1 | 166.6 | -137.5 | 0 | 0 | 112.1 | F84 F99 | F84-E88 HydrophobicContact CE1-CB 4.41Å; F84-E88 VanDerWaalsContact CE1-OE2 3.31Å; F84-E88 WeakPolarHBondContact CE1-OE2 3.34Å; F84-E88 WeakPolarHBondContact O-CB 3.05Å; F84-E88 PolarHBondContact O-N 3.17Å; E88-F99 HydrophobicContact CB-CE1 3.69Å; E88-F99 HydrophobicContact CB-CZ 4.36Å; E88-F99 HydrophobicContact CG-CD1 4.49Å; E88-F99 HydrophobicContact CG-CE1 3.72Å; E88-F99 HydrophobicContact CG-CZ 4.42Å |
| 89 | N | 97.1 | Very high | 95.2 | Very high | 99 Ų | 99 | 59.7 Ų | 59.7 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.1 | -41.9 | 174.8 | -169.9 | 57.4 | 0 | 0 | 0 | 112.2 | D85 Q86 V87 Y91 K92 | D85-N89 WeakPolarHBondContact O-CB 3.4Å; D85-N89 PolarHBondContact O-N 3.37Å; Q86-N89 PolarHBondContact O-N 3.47Å; V87-N89 VanDerWaalsContact C-N 3.31Å; V87-N89 PolarHBondContact O-N 2.98Å; N89-Y91 VanDerWaalsContact C-N 3.33Å; N89-Y91 PolarHBondContact O-N 3.45Å; N89-K92 WeakPolarHBondContact O-CB 3.43Å; N89-K92 WeakPolarHBondContact O-CG 3.44Å; N89-K92 PolarHBondContact O-N 3.11Å; N89-K92 PolarHBondContact OD1-NZ 3.39Å |
| 90 | A | 97.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 60.2 Ų | 60.2 | 7% | 0.066 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.3 | -30.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I54 A57 Q86 V87 K92 I93 | I54-A90 HydrophobicContact CG1-CB 4.12Å; A57-A90 HydrophobicContact CB-CB 3.77Å; Q86-A90 WeakPolarHBondContact O-CB 3.14Å; Q86-A90 PolarHBondContact O-N 3.47Å; V87-A90 PolarHBondContact O-N 2.99Å; A90-K92 PolarHBondContact O-N 2.95Å; A90-K92 VanDerWaalsContact O-N 3.07Å; A90-I93 WeakPolarHBondContact O-CB 3.35Å; A90-I93 VanDerWaalsContact O-CG1 3.29Å; A90-I93 WeakPolarHBondContact O-CG1 3.42Å; A90-I93 PolarHBondContact O-N 2.78Å |
| 91 | Y | 98 | Very high | 95.6 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58 | -24.5 | 178.7 | -168 | -93.2 | 0 | 0 | 0 | 113.8 | L60 Y61 I64 V87 N89 I93 Y94 S95 E97 F99 | L60-Y91 HydrophobicContact CD2-CD2 4.42Å; L60-Y91 HydrophobicContact CG-CE2 4.35Å; Y61-Y91 HydrophobicContact CD2-CE2 4.13Å; Y61-Y91 AromaticContact CD2-CZ 3.78Å; Y61-Y91 WeakPolarHBondContact CD2-OH 3.37Å; Y61-Y91 HydrophobicContact CG-CE2 4.39Å; I64-Y91 HydrophobicContact CD1-CE2 4.46Å; V87-Y91 WeakPolarHBondContact O-CB 3.3Å; V87-Y91 PolarHBondContact O-N 3.13Å; N89-Y91 VanDerWaalsContact C-N 3.33Å; N89-Y91 PolarHBondContact O-N 3.45Å; Y91-I93 PolarHBondContact O-N 3.26Å; Y91-I93 VanDerWaalsContact O-N 3.11Å; Y91-Y94 PolarHBondContact O-N 3.47Å; Y91-S95 PolarHBondContact O-N 2.98Å; Y91-E97 WeakPolarHBondContact CE1-O 3.39Å; Y91-F99 HydrophobicContact CD1-CB 3.8Å; Y91-F99 HydrophobicContact CD1-CD1 4.13Å; Y91-F99 HydrophobicContact CD1-CG 4.5Å; Y91-F99 HydrophobicContact CD2-CB 3.95Å; Y91-F99 HydrophobicContact CD2-CD1 4.17Å; Y91-F99 HydrophobicContact CD2-CG 4.48Å; Y91-F99 HydrophobicContact CE1-CB 3.45Å; Y91-F99 VanDerWaalsContact CE1-CB 3.45Å; Y91-F99 HydrophobicContact CE2-CB 3.6Å; Y91-F99 HydrophobicContact CG-CB 4.03Å; Y91-F99 AromaticContact CG-CD1 3.88Å; Y91-F99 HydrophobicContact CG-CD1 3.88Å; Y91-F99 HydrophobicContact CG-CG 4.46Å |
| 92 | K | 97.5 | Very high | 95.9 | Very high | 141 Ų | 141 | 63.1 Ų | 63.1 | 61% | 0.613 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.4 | 176.3 | -61 | 172.8 | -172.1 | 163 | 0 | 113.6 | N89 A90 Y94 S95 | N89-K92 WeakPolarHBondContact O-CB 3.43Å; N89-K92 WeakPolarHBondContact O-CG 3.44Å; N89-K92 PolarHBondContact O-N 3.11Å; N89-K92 PolarHBondContact OD1-NZ 3.39Å; A90-K92 PolarHBondContact O-N 2.95Å; A90-K92 VanDerWaalsContact O-N 3.07Å; K92-Y94 VanDerWaalsContact C-N 3.29Å; K92-S95 WeakPolarHBondContact CA-O 3.43Å |
| 93 | I | 97.8 | Very high | 96.2 | Very high | 109 Ų | 109 | 58.6 Ų | 58.6 | 56% | 0.559 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -35.6 | 173.6 | -63.7 | 168.5 | 0 | 0 | 0 | 111 | I54 A90 Y91 | I54-I93 HydrophobicContact CG1-CD1 4.34Å; I54-I93 HydrophobicContact CG2-CD1 4.21Å; A90-I93 WeakPolarHBondContact O-CB 3.35Å; A90-I93 VanDerWaalsContact O-CG1 3.29Å; A90-I93 WeakPolarHBondContact O-CG1 3.42Å; A90-I93 PolarHBondContact O-N 2.78Å; Y91-I93 PolarHBondContact O-N 3.26Å; Y91-I93 VanDerWaalsContact O-N 3.11Å |
| 94 | Y | 97.3 | Very high | 96.5 | Very high | 69 Ų | 69 | 58 Ų | 58 | 27% | 0.271 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -20.1 | -170.7 | -53.9 | -73.8 | 0 | 0 | 0 | 113.2 | I54 A57 D58 Y61 Y91 K92 | I54-Y94 WeakPolarHBondContact CG2-OH 3.37Å; A57-Y94 HydrophobicContact CB-CD2 4.36Å; A57-Y94 HydrophobicContact CB-CE2 4.16Å; D58-Y94 HydrophobicContact CB-CD2 4.37Å; D58-Y94 HydrophobicContact CB-CE1 3.96Å; D58-Y94 HydrophobicContact CB-CE2 3.67Å; D58-Y94 VanDerWaalsContact CB-CZ 3.45Å; Y61-Y94 VanDerWaalsContact CE2-O 3.28Å; Y61-Y94 WeakPolarHBondContact CE2-O 3.2Å; Y61-Y94 HydrophobicContact CG-CG 4.46Å; Y91-Y94 PolarHBondContact O-N 3.47Å; K92-Y94 VanDerWaalsContact C-N 3.29Å |
| 95 | S | 97.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 65.4 Ų | 65.4 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | trans | -148.6 | 136.4 | -175.9 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | Y91 K92 E97 | Y91-S95 PolarHBondContact O-N 2.98Å; K92-S95 WeakPolarHBondContact CA-O 3.43Å; S95-E97 VanDerWaalsContact C-N 3.3Å; S95-E97 WeakPolarHBondContact CB-O 3.07Å; S95-E97 PolarHBondContact OG-N 3.41Å; S95-E97 VanDerWaalsContact OG-N 3.07Å; S95-E97 PolarHBondContact OG-O 3.48Å | ||
| 96 | I | 95.2 | Very high | 97 | Very high | 179 Ų | 179 | 64.1 Ų | 64.1 | 92% | 0.918 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -69.7 | -33.8 | 169.7 | -57.3 | 170.8 | 0 | 0 | 0 | 110.1 | ||
| 97 | E | 95 | Very high | 97.1 | Very high | 70 Ų | 70 | 60.4 Ų | 60.4 | 33% | 0.327 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -85.2 | 141.7 | 178.7 | -59.1 | -164.7 | 149.9 | 0 | 0 | 111.2 | Y91 S95 K101 | Y91-E97 WeakPolarHBondContact CE1-O 3.39Å; S95-E97 VanDerWaalsContact C-N 3.3Å; S95-E97 WeakPolarHBondContact CB-O 3.07Å; S95-E97 PolarHBondContact OG-N 3.41Å; S95-E97 VanDerWaalsContact OG-N 3.07Å; S95-E97 PolarHBondContact OG-O 3.48Å; E97-K101 HydrophobicContact CB-CD 4.28Å; E97-K101 HydrophobicContact CG-CD 4.26Å; E97-K101 VanDerWaalsContact OE1-CE 3.24Å; E97-K101 WeakPolarHBondContact OE1-CE 3.34Å; E97-K101 IonicContact OE1-NZ 3.75Å; E97-K101 PolarHBondContact OE1-NZ 3.09Å; E97-K101 WeakPolarHBondContact OE2-CD 3.48Å; E97-K101 IonicContact OE2-NZ 2.66Å |
| 98 | P | 95.4 | Very high | 97.2 | Very high | 74 Ų | 74 | 61.8 Ų | 61.8 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | trans | -56.9 | 142.4 | 170.3 | -22.7 | 32.7 | 0 | 0 | 0 | 111.2 | W100 K101 S102 | P98-W100 PolarHBondContact O-N 3.46Å; P98-W100 VanDerWaalsContact O-N 3.11Å; P98-K101 WeakPolarHBondContact O-CB 3.25Å; P98-K101 PolarHBondContact O-N 3.04Å; P98-S102 PolarHBondContact O-N 3.43Å | ||
| 99 | F | 95.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -27.3 | -178.4 | 62 | -100.6 | 0 | 0 | 0 | 112.4 | L60 I64 L76 F84 E88 Y91 K101 S102 I103 | L60-F99 HydrophobicContact CD2-CB 4.33Å; L60-F99 HydrophobicContact CD2-CD1 4.09Å; L60-F99 HydrophobicContact CD2-CD2 4.07Å; L60-F99 HydrophobicContact CD2-CE1 4.43Å; L60-F99 HydrophobicContact CD2-CE2 4.42Å; L60-F99 HydrophobicContact CD2-CG 3.91Å; I64-F99 HydrophobicContact CD1-CB 3.88Å; L76-F99 HydrophobicContact CD2-CE2 4.22Å; F84-F99 HydrophobicContact CD2-CZ 4.38Å; F84-F99 HydrophobicContact CE2-CE1 4.45Å; F84-F99 HydrophobicContact CE2-CE2 4.09Å; F84-F99 AromaticContact CE2-CZ 3.43Å; F84-F99 HydrophobicContact CE2-CZ 3.43Å; F84-F99 VanDerWaalsContact CE2-CZ 3.43Å; F84-F99 AromaticContact CZ-CZ 3.73Å; F84-F99 HydrophobicContact CZ-CZ 3.73Å; E88-F99 HydrophobicContact CB-CE1 3.69Å; E88-F99 HydrophobicContact CB-CZ 4.36Å; E88-F99 HydrophobicContact CG-CD1 4.49Å; E88-F99 HydrophobicContact CG-CE1 3.72Å; E88-F99 HydrophobicContact CG-CZ 4.42Å; Y91-F99 HydrophobicContact CD1-CB 3.8Å; Y91-F99 HydrophobicContact CD1-CD1 4.13Å; Y91-F99 HydrophobicContact CD1-CG 4.5Å; Y91-F99 HydrophobicContact CD2-CB 3.95Å; Y91-F99 HydrophobicContact CD2-CD1 4.17Å; Y91-F99 HydrophobicContact CD2-CG 4.48Å; Y91-F99 HydrophobicContact CE1-CB 3.45Å; Y91-F99 VanDerWaalsContact CE1-CB 3.45Å; Y91-F99 HydrophobicContact CE2-CB 3.6Å; Y91-F99 HydrophobicContact CG-CB 4.03Å; Y91-F99 AromaticContact CG-CD1 3.88Å; Y91-F99 HydrophobicContact CG-CD1 3.88Å; Y91-F99 HydrophobicContact CG-CG 4.46Å; F99-K101 VanDerWaalsContact C-N 3.27Å; F99-K101 PolarHBondContact O-N 3.01Å; F99-S102 CarbonylContact O-C 3.5Å; F99-S102 WeakPolarHBondContact O-CA 3.41Å; F99-S102 WeakPolarHBondContact O-CB 3.47Å; F99-S102 PolarHBondContact O-N 3.09Å; F99-I103 HydrophobicContact CD2-CD1 3.76Å; F99-I103 HydrophobicContact CE2-CD1 4.37Å; F99-I103 WeakPolarHBondContact O-CG1 3.4Å; F99-I103 PolarHBondContact O-N 3.35Å |
| 100 | W | 97.2 | Very high | 97.2 | Very high | 20 Ų | 20 | 63.1 Ų | 63.1 | 8% | 0.076 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.7 | -36.6 | 174 | -68.8 | 123 | 0 | 0 | 0 | 113.4 | L76 F84 P98 S102 I103 E104 K112 L115 H116 V119 | L76-W100 HydrophobicContact CD1-CH2 4.36Å; L76-W100 HydrophobicContact CD1-CZ3 4.3Å; F84-W100 AromaticContact CE2-CZ2 3.53Å; F84-W100 HydrophobicContact CE2-CZ2 3.53Å; F84-W100 AromaticContact CE2-NE1 3.99Å; F84-W100 AromaticContact CZ-CE2 3.97Å; F84-W100 AromaticContact CZ-CZ2 3.87Å; F84-W100 HydrophobicContact CZ-CZ2 3.87Å; F84-W100 AromaticContact CZ-NE1 3.5Å; P98-W100 PolarHBondContact O-N 3.46Å; P98-W100 VanDerWaalsContact O-N 3.11Å; W100-S102 VanDerWaalsContact C-N 3.34Å; W100-I103 HydrophobicContact CE3-CD1 3.74Å; W100-I103 HydrophobicContact CZ3-CD1 3.83Å; W100-I103 PolarHBondContact O-N 3.41Å; W100-E104 PolarHBondContact O-N 2.84Å; W100-K112 HydrophobicContact CE3-CG 4.15Å; W100-L115 HydrophobicContact CH2-CB 4.43Å; W100-L115 HydrophobicContact CZ3-CB 4Å; W100-H116 AromaticContact CD2-CD2 3.87Å; W100-H116 AromaticContact CE2-CD2 3.51Å; W100-H116 HydrophobicContact CE3-CB 4.29Å; W100-H116 HydrophobicContact CH2-CB 3.86Å; W100-H116 HydrophobicContact CZ2-CB 4.14Å; W100-H116 AromaticContact CZ2-CD2 3.75Å; W100-H116 HydrophobicContact CZ3-CB 3.94Å; W100-H116 AromaticContact NE1-CD2 3.74Å; W100-V119 HydrophobicContact CH2-CB 4.39Å; W100-V119 HydrophobicContact CH2-CG2 4Å; W100-V119 HydrophobicContact CZ2-CB 4.37Å; W100-V119 HydrophobicContact CZ2-CG1 4.42Å; W100-V119 HydrophobicContact CZ2-CG2 4.28Å |
| 101 | K | 97.7 | Very high | 97.2 | Very high | 113 Ų | 113 | 62.9 Ų | 62.9 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 174 | -173 | 176.1 | 176.5 | -169.9 | 0 | 110.4 | E97 P98 F99 E104 K105 | E97-K101 HydrophobicContact CB-CD 4.28Å; E97-K101 HydrophobicContact CG-CD 4.26Å; E97-K101 VanDerWaalsContact OE1-CE 3.24Å; E97-K101 WeakPolarHBondContact OE1-CE 3.34Å; E97-K101 IonicContact OE1-NZ 3.75Å; E97-K101 PolarHBondContact OE1-NZ 3.09Å; E97-K101 WeakPolarHBondContact OE2-CD 3.48Å; E97-K101 IonicContact OE2-NZ 2.66Å; P98-K101 WeakPolarHBondContact O-CB 3.25Å; P98-K101 PolarHBondContact O-N 3.04Å; F99-K101 VanDerWaalsContact C-N 3.27Å; F99-K101 PolarHBondContact O-N 3.01Å; K101-E104 PolarHBondContact O-N 2.71Å; K101-K105 WeakPolarHBondContact O-CB 3.47Å; K101-K105 PolarHBondContact O-N 3.18Å |
| 102 | S | 97.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 65.5 Ų | 65.5 | 4% | 0.035 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -44 | 174.4 | -58 | 0 | 0 | 0 | 0 | 111.7 | P98 F99 W100 E104 K105 H106 | P98-S102 PolarHBondContact O-N 3.43Å; F99-S102 CarbonylContact O-C 3.5Å; F99-S102 WeakPolarHBondContact O-CA 3.41Å; F99-S102 WeakPolarHBondContact O-CB 3.47Å; F99-S102 PolarHBondContact O-N 3.09Å; W100-S102 VanDerWaalsContact C-N 3.34Å; S102-E104 PolarHBondContact O-N 3.21Å; S102-K105 WeakPolarHBondContact O-CB 3.28Å; S102-K105 PolarHBondContact O-N 2.95Å; S102-H106 PolarHBondContact O-CD2 3.48Å; S102-H106 PolarHBondContact O-N 3.44Å |
| 103 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 176.5 | -71.4 | 173.4 | 0 | 0 | 0 | 110.8 | I64 T72 L76 F99 W100 K105 H106 F107 V111 K112 L115 | I64-I103 HydrophobicContact CD1-CD1 4.18Å; I64-I103 HydrophobicContact CD1-CG1 3.66Å; I64-I103 HydrophobicContact CG1-CG1 3.97Å; T72-I103 HydrophobicContact CG2-CD1 4.11Å; T72-I103 HydrophobicContact CG2-CG1 4.22Å; L76-I103 HydrophobicContact CD1-CD1 3.68Å; F99-I103 HydrophobicContact CD2-CD1 3.76Å; F99-I103 HydrophobicContact CE2-CD1 4.37Å; F99-I103 WeakPolarHBondContact O-CG1 3.4Å; F99-I103 PolarHBondContact O-N 3.35Å; W100-I103 HydrophobicContact CE3-CD1 3.74Å; W100-I103 HydrophobicContact CZ3-CD1 3.83Å; W100-I103 PolarHBondContact O-N 3.41Å; I103-K105 VanDerWaalsContact C-N 3.34Å; I103-H106 PolarHBondContact O-N 3.04Å; I103-F107 HydrophobicContact CB-CD2 4.39Å; I103-F107 HydrophobicContact CG2-CD2 4.06Å; I103-F107 WeakPolarHBondContact O-CA 3.08Å; I103-F107 WeakPolarHBondContact O-CB 3.11Å; I103-F107 PolarHBondContact O-N 2.93Å; I103-V111 HydrophobicContact CG2-CG1 4.27Å; I103-K112 HydrophobicContact CG2-CB 3.96Å; I103-L115 HydrophobicContact CG2-CD1 4.29Å |
| 104 | E | 98.5 | Very high | 97.2 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 176.4 | 177.1 | 165.3 | -163.1 | 0 | 0 | 112.6 | W100 K101 S102 G108 K109 K112 | W100-E104 PolarHBondContact O-N 2.84Å; K101-E104 PolarHBondContact O-N 2.71Å; S102-E104 PolarHBondContact O-N 3.21Å; E104-G108 WeakPolarHBondContact O-CA 3.45Å; E104-G108 PolarHBondContact O-N 2.74Å; E104-K109 HydrophobicContact CG-CB 4.48Å; E104-K112 HydrophobicContact CB-CB 4.1Å; E104-K112 HydrophobicContact CB-CD 3.64Å; E104-K112 HydrophobicContact CB-CG 4.44Å; E104-K112 HydrophobicContact CG-CD 4.3Å; E104-K112 WeakPolarHBondContact OE2-CD 3.34Å; E104-K112 IonicContact OE2-NZ 3.8Å; E104-K112 PolarHBondContact OE2-NZ 3.28Å |
| 105 | K | 98 | Very high | 97.2 | Very high | 161 Ų | 161 | 54.2 Ų | 54.2 | 70% | 0.7 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.3 | -42.5 | 175.7 | -177.2 | -176.3 | 176 | -173.2 | 0 | 112.4 | K101 S102 I103 | K101-K105 WeakPolarHBondContact O-CB 3.47Å; K101-K105 PolarHBondContact O-N 3.18Å; S102-K105 WeakPolarHBondContact O-CB 3.28Å; S102-K105 PolarHBondContact O-N 2.95Å; I103-K105 VanDerWaalsContact C-N 3.34Å |
| 106 | H | 98.1 | Very high | 97.2 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 24% | 0.241 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -89.2 | -30.5 | -174.3 | -73.5 | -74.4 | 0 | 0 | 0 | 114.1 | I64 S102 I103 | I64-H106 HydrophobicContact CG2-CB 4.25Å; I64-H106 VanDerWaalsContact CG2-CD2 3.49Å; I64-H106 WeakPolarHBondContact CG2-CD2 3.47Å; S102-H106 PolarHBondContact O-CD2 3.48Å; S102-H106 PolarHBondContact O-N 3.44Å; I103-H106 PolarHBondContact O-N 3.04Å |
| 107 | F | 98.2 | Very high | 97.3 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 5% | 0.048 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -124.7 | -1.7 | -173.5 | -49 | -63.4 | 0 | 0 | 0 | 113.8 | I64 S67 L69 T72 I103 V111 Q205 | I64-F107 HydrophobicContact CG1-CE2 4.34Å; I64-F107 HydrophobicContact CG2-CE2 4.27Å; S67-F107 WeakPolarHBondContact O-CE1 3.38Å; L69-F107 HydrophobicContact CB-CD1 3.87Å; L69-F107 HydrophobicContact CB-CE1 3.61Å; L69-F107 HydrophobicContact CB-CZ 4.16Å; L69-F107 HydrophobicContact CD1-CB 4.43Å; L69-F107 HydrophobicContact CD1-CD1 4.05Å; L69-F107 HydrophobicContact CD1-CD2 4.16Å; L69-F107 HydrophobicContact CD1-CE1 4.32Å; L69-F107 HydrophobicContact CD1-CE2 4.42Å; L69-F107 HydrophobicContact CD1-CG 3.95Å; L69-F107 HydrophobicContact CD1-CZ 4.49Å; L69-F107 HydrophobicContact CG-CD1 4.4Å; T72-F107 HydrophobicContact CG2-CE2 4.16Å; I103-F107 HydrophobicContact CB-CD2 4.39Å; I103-F107 HydrophobicContact CG2-CD2 4.06Å; I103-F107 WeakPolarHBondContact O-CA 3.08Å; I103-F107 WeakPolarHBondContact O-CB 3.11Å; I103-F107 PolarHBondContact O-N 2.93Å; F107-V111 HydrophobicContact CB-CB 3.74Å; F107-V111 HydrophobicContact CB-CG1 3.52Å; F107-V111 HydrophobicContact CB-CG2 4.06Å; F107-V111 HydrophobicContact CD2-CG1 4.48Å; F107-V111 HydrophobicContact CG-CG1 4.23Å; F107-V111 WeakPolarHBondContact O-CB 3.47Å; F107-V111 WeakPolarHBondContact O-CG2 3.3Å; F107-Q205 PolarHBondContact O-OE1 2.93Å |
| 108 | G | 97.7 | Very high | 97.4 | Very high | 31 Ų | 31 | 46.1 Ų | 46.1 | 32% | 0.32 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | 81.4 | 167 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E104 S110 V111 K112 | E104-G108 WeakPolarHBondContact O-CA 3.45Å; E104-G108 PolarHBondContact O-N 2.74Å; G108-S110 PolarHBondContact O-N 3.11Å; G108-V111 PolarHBondContact O-N 2.81Å; G108-K112 PolarHBondContact O-N 3.45Å |
| 109 | K | 97.2 | Very high | 97.4 | Very high | 150 Ų | 150 | 42.8 Ų | 42.8 | 65% | 0.652 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60.2 | -41.2 | -173.8 | -175.9 | 173.8 | 179.8 | 177 | 0 | 113.3 | E104 V111 K112 T113 | E104-K109 HydrophobicContact CG-CB 4.48Å; K109-V111 VanDerWaalsContact C-N 3.35Å; K109-V111 PolarHBondContact O-N 3.25Å; K109-K112 PolarHBondContact O-N 2.87Å; K109-T113 WeakPolarHBondContact O-CB 3.38Å; K109-T113 PolarHBondContact O-N 3.31Å; K109-T113 PolarHBondContact O-OG1 2.86Å; K109-T113 VanDerWaalsContact O-OG1 3.08Å |
| 110 | S | 95.8 | Very high | 97.3 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 27% | 0.266 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.5 | -40.5 | -176.8 | -164.7 | 0 | 0 | 0 | 0 | 112.2 | G108 T113 T114 | G108-S110 PolarHBondContact O-N 3.11Å; S110-T113 PolarHBondContact O-N 3.01Å; S110-T114 PolarHBondContact O-N 3.33Å; S110-T114 PolarHBondContact O-OG1 2.9Å; S110-T114 VanDerWaalsContact O-OG1 3.13Å |
| 111 | V | 97.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -48.8 | 176.7 | 166.3 | 0 | 0 | 0 | 0 | 110.8 | L69 I103 F107 G108 K109 T113 T114 L115 Q205 I209 | L69-V111 HydrophobicContact CD1-CG1 3.67Å; I103-V111 HydrophobicContact CG2-CG1 4.27Å; F107-V111 HydrophobicContact CB-CB 3.74Å; F107-V111 HydrophobicContact CB-CG1 3.52Å; F107-V111 HydrophobicContact CB-CG2 4.06Å; F107-V111 HydrophobicContact CD2-CG1 4.48Å; F107-V111 HydrophobicContact CG-CG1 4.23Å; F107-V111 WeakPolarHBondContact O-CB 3.47Å; F107-V111 WeakPolarHBondContact O-CG2 3.3Å; G108-V111 PolarHBondContact O-N 2.81Å; K109-V111 VanDerWaalsContact C-N 3.35Å; K109-V111 PolarHBondContact O-N 3.25Å; V111-T113 VanDerWaalsContact C-N 3.33Å; V111-T113 PolarHBondContact O-N 3.05Å; V111-T114 PolarHBondContact O-N 3.48Å; V111-L115 HydrophobicContact CG1-CD1 3.66Å; V111-L115 HydrophobicContact CG1-CG 4.27Å; V111-L115 WeakPolarHBondContact O-CB 3.42Å; V111-L115 WeakPolarHBondContact O-CG 3.1Å; V111-L115 PolarHBondContact O-N 3.37Å; V111-Q205 HydrophobicContact CG2-CB 3.78Å; V111-I209 HydrophobicContact CB-CD1 4.17Å; V111-I209 HydrophobicContact CG1-CD1 3.7Å; V111-I209 HydrophobicContact CG2-CD1 3.9Å |
| 112 | K | 97.9 | Very high | 96.9 | Very high | 58 Ų | 58 | 42 Ų | 42 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -52.5 | -52 | 174.4 | 171.8 | -171.2 | 163.5 | -169.9 | 0 | 110.9 | W100 I103 E104 G108 K109 T114 L115 H116 | W100-K112 HydrophobicContact CE3-CG 4.15Å; I103-K112 HydrophobicContact CG2-CB 3.96Å; E104-K112 HydrophobicContact CB-CB 4.1Å; E104-K112 HydrophobicContact CB-CD 3.64Å; E104-K112 HydrophobicContact CB-CG 4.44Å; E104-K112 HydrophobicContact CG-CD 4.3Å; E104-K112 WeakPolarHBondContact OE2-CD 3.34Å; E104-K112 IonicContact OE2-NZ 3.8Å; E104-K112 PolarHBondContact OE2-NZ 3.28Å; G108-K112 PolarHBondContact O-N 3.45Å; K109-K112 PolarHBondContact O-N 2.87Å; K112-T114 VanDerWaalsContact C-N 3.34Å; K112-T114 PolarHBondContact O-N 3.16Å; K112-L115 PolarHBondContact O-N 3.1Å; K112-H116 WeakPolarHBondContact O-CB 3.45Å; K112-H116 PolarHBondContact O-N 2.97Å |
| 113 | T | 97.8 | Very high | 96.6 | Very high | 77 Ų | 77 | 44.6 Ų | 44.6 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.6 | -42.6 | -176.9 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | K109 S110 V111 C117 | K109-T113 WeakPolarHBondContact O-CB 3.38Å; K109-T113 PolarHBondContact O-N 3.31Å; K109-T113 PolarHBondContact O-OG1 2.86Å; K109-T113 VanDerWaalsContact O-OG1 3.08Å; S110-T113 PolarHBondContact O-N 3.01Å; V111-T113 VanDerWaalsContact C-N 3.33Å; V111-T113 PolarHBondContact O-N 3.05Å; T113-C117 WeakPolarHBondContact O-CB 3.49Å; T113-C117 PolarHBondContact O-N 2.9Å |
| 114 | T | 97.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.8 | -49.1 | 178 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | S110 V111 K112 H116 C117 I118 I209 | S110-T114 PolarHBondContact O-N 3.33Å; S110-T114 PolarHBondContact O-OG1 2.9Å; S110-T114 VanDerWaalsContact O-OG1 3.13Å; V111-T114 PolarHBondContact O-N 3.48Å; K112-T114 VanDerWaalsContact C-N 3.34Å; K112-T114 PolarHBondContact O-N 3.16Å; T114-H116 PolarHBondContact O-N 3.02Å; T114-C117 WeakPolarHBondContact O-CB 3.34Å; T114-C117 PolarHBondContact O-N 2.95Å; T114-I118 HydrophobicContact CG2-CD1 4.31Å; T114-I118 WeakPolarHBondContact O-CG1 3.42Å; T114-I118 PolarHBondContact O-N 3.29Å; T114-I118 VanDerWaalsContact O-N 3.1Å; T114-I209 HydrophobicContact CG2-CG2 4.01Å |
| 115 | L | 97.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 179.1 | -69.7 | 174.4 | 0 | 0 | 0 | 112.1 | L69 T72 T73 L76 W100 I103 V111 K112 C117 I118 V119 I209 | L69-L115 HydrophobicContact CD1-CD1 4.41Å; T72-L115 HydrophobicContact CG2-CD1 4.47Å; T73-L115 HydrophobicContact CG2-CD2 4.03Å; L76-L115 HydrophobicContact CD1-CB 4.3Å; L76-L115 HydrophobicContact CD1-CD1 4.06Å; W100-L115 HydrophobicContact CH2-CB 4.43Å; W100-L115 HydrophobicContact CZ3-CB 4Å; I103-L115 HydrophobicContact CG2-CD1 4.29Å; V111-L115 HydrophobicContact CG1-CD1 3.66Å; V111-L115 HydrophobicContact CG1-CG 4.27Å; V111-L115 WeakPolarHBondContact O-CB 3.42Å; V111-L115 WeakPolarHBondContact O-CG 3.1Å; V111-L115 PolarHBondContact O-N 3.37Å; K112-L115 PolarHBondContact O-N 3.1Å; L115-C117 PolarHBondContact O-N 3.08Å; L115-I118 HydrophobicContact CD2-CD1 4.26Å; L115-I118 PolarHBondContact O-N 3.44Å; L115-V119 PolarHBondContact O-N 2.97Å; L115-I209 HydrophobicContact CD2-CD1 4.32Å; L115-I209 HydrophobicContact CD2-CG1 4.33Å; L115-I209 HydrophobicContact CD2-CG2 3.92Å; L115-I209 HydrophobicContact CG-CD1 4.18Å |
| 116 | H | 97 | Very high | 93.8 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 32% | 0.319 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.3 | -171.9 | -69.6 | 0 | 0 | 0 | 111.7 | W100 K112 T114 I118 V119 E120 | W100-H116 AromaticContact CD2-CD2 3.87Å; W100-H116 AromaticContact CE2-CD2 3.51Å; W100-H116 HydrophobicContact CE3-CB 4.29Å; W100-H116 HydrophobicContact CH2-CB 3.86Å; W100-H116 HydrophobicContact CZ2-CB 4.14Å; W100-H116 AromaticContact CZ2-CD2 3.75Å; W100-H116 HydrophobicContact CZ3-CB 3.94Å; W100-H116 AromaticContact NE1-CD2 3.74Å; K112-H116 WeakPolarHBondContact O-CB 3.45Å; K112-H116 PolarHBondContact O-N 2.97Å; T114-H116 PolarHBondContact O-N 3.02Å; H116-I118 VanDerWaalsContact C-N 3.32Å; H116-I118 PolarHBondContact O-N 3.2Å; H116-V119 PolarHBondContact O-N 2.9Å; H116-E120 VanDerWaalsContact CE1-CG 3.42Å; H116-E120 WeakPolarHBondContact CE1-CG 3.35Å; H116-E120 IonicContact CE1-OE1 3.6Å; H116-E120 WeakPolarHBondContact ND1-CG 3.41Å; H116-E120 WeakPolarHBondContact O-CB 3.29Å; H116-E120 WeakPolarHBondContact O-CG 3.29Å; H116-E120 PolarHBondContact O-N 2.88Å |
| 117 | C | 97.6 | Very high | 92.7 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 19% | 0.189 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 175.3 | 176.3 | 0 | 0 | 0 | 0 | 112.6 | T113 T114 L115 T121 C172 | T113-C117 WeakPolarHBondContact O-CB 3.49Å; T113-C117 PolarHBondContact O-N 2.9Å; T114-C117 WeakPolarHBondContact O-CB 3.34Å; T114-C117 PolarHBondContact O-N 2.95Å; L115-C117 PolarHBondContact O-N 3.08Å; C117-T121 WeakPolarHBondContact O-CB 3.22Å; C117-T121 PolarHBondContact O-N 2.91Å; C117-T121 VanDerWaalsContact O-N 3.07Å; C117-T121 PolarHBondContact O-OG1 2.78Å; C117-C172 HydrophobicContact CB-CB 3.57Å; C117-C172 WeakPolarHBondContact CB-SG 3.26Å; C117-C172 WeakPolarHBondContact SG-CB 3.47Å; C117-C172 CovalentContact SG-SG 2.03Å; C117-C172 PolarHBondContact SG-SG 3.4Å |
| 118 | I | 96.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 177.6 | -62.3 | 163.1 | 0 | 0 | 0 | 110.7 | I77 T114 L115 H116 T121 R122 C172 I209 M213 | I77-I118 HydrophobicContact CG2-CD1 4.24Å; I77-I118 HydrophobicContact CG2-CG2 4.18Å; T114-I118 HydrophobicContact CG2-CD1 4.31Å; T114-I118 WeakPolarHBondContact O-CG1 3.42Å; T114-I118 PolarHBondContact O-N 3.29Å; T114-I118 VanDerWaalsContact O-N 3.1Å; L115-I118 HydrophobicContact CD2-CD1 4.26Å; L115-I118 PolarHBondContact O-N 3.44Å; H116-I118 VanDerWaalsContact C-N 3.32Å; H116-I118 PolarHBondContact O-N 3.2Å; I118-T121 PolarHBondContact O-N 3.23Å; I118-R122 WeakPolarHBondContact O-CG 3.34Å; I118-R122 PolarHBondContact O-N 3.07Å; I118-C172 HydrophobicContact CG1-CB 3.86Å; I118-I209 HydrophobicContact CD1-CG2 3.95Å; I118-M213 HydrophobicContact CD1-CE 4.03Å; I118-M213 HydrophobicContact CD1-CG 3.73Å; I118-M213 HydrophobicContact CD1-SD 3.33Å; I118-M213 WeakPolarHBondContact CD1-SD 3.49Å; I118-M213 HydrophobicContact CG1-CE 3.85Å; I118-M213 HydrophobicContact CG1-CG 4.49Å; I118-M213 HydrophobicContact CG1-SD 3.84Å |
| 119 | V | 95.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 178.9 | 164.8 | 0 | 0 | 0 | 0 | 110.9 | L76 F84 W100 L115 H116 T121 R122 K123 | L76-V119 HydrophobicContact CB-CG2 4.26Å; L76-V119 HydrophobicContact CD2-CG2 4.42Å; F84-V119 HydrophobicContact CB-CG1 4.23Å; F84-V119 HydrophobicContact CD1-CG1 4.21Å; F84-V119 HydrophobicContact CD2-CB 4.35Å; F84-V119 HydrophobicContact CD2-CG1 3.18Å; F84-V119 HydrophobicContact CD2-CG2 4.28Å; F84-V119 HydrophobicContact CE1-CG1 4.47Å; F84-V119 HydrophobicContact CE2-CB 4.46Å; F84-V119 HydrophobicContact CE2-CG1 3.45Å; F84-V119 VanDerWaalsContact CE2-CG1 3.45Å; F84-V119 HydrophobicContact CE2-CG2 4.44Å; F84-V119 HydrophobicContact CG-CG1 3.58Å; F84-V119 HydrophobicContact CZ-CG1 4.13Å; W100-V119 HydrophobicContact CH2-CB 4.39Å; W100-V119 HydrophobicContact CH2-CG2 4Å; W100-V119 HydrophobicContact CZ2-CB 4.37Å; W100-V119 HydrophobicContact CZ2-CG1 4.42Å; W100-V119 HydrophobicContact CZ2-CG2 4.28Å; L115-V119 PolarHBondContact O-N 2.97Å; H116-V119 PolarHBondContact O-N 2.9Å; V119-T121 VanDerWaalsContact C-N 3.25Å; V119-T121 PolarHBondContact O-N 2.82Å; V119-R122 WeakPolarHBondContact O-CA 3.36Å; V119-R122 PolarHBondContact O-N 3.16Å; V119-K123 PolarHBondContact O-N 2.68Å; V119-K123 VanDerWaalsContact O-N 3.16Å |
| 120 | E | 94.6 | Very high | 88.4 | Confident | 74 Ų | 74 | 65.2 Ų | 65.2 | 35% | 0.346 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.6 | -36.7 | -179.5 | -72 | -60.3 | 132.4 | 0 | 0 | 112.2 | H116 R122 K123 | H116-E120 VanDerWaalsContact CE1-CG 3.42Å; H116-E120 WeakPolarHBondContact CE1-CG 3.35Å; H116-E120 IonicContact CE1-OE1 3.6Å; H116-E120 WeakPolarHBondContact ND1-CG 3.41Å; H116-E120 WeakPolarHBondContact O-CB 3.29Å; H116-E120 WeakPolarHBondContact O-CG 3.29Å; H116-E120 PolarHBondContact O-N 2.88Å; E120-R122 PolarHBondContact O-N 2.72Å; E120-K123 PolarHBondContact O-N 2.68Å; E120-K123 WeakPolarHBondContact OE1-CE 3.35Å; E120-K123 IonicContact OE1-NZ 2.79Å; E120-K123 PolarHBondContact OE1-NZ 3.46Å; E120-K123 IonicContact OE2-NZ 3.89Å |
| 121 | T | 93.8 | Very high | 86.4 | Confident | 36 Ų | 36 | 67.9 Ų | 67.9 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -26.8 | 174.7 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | C117 I118 V119 C172 K173 | C117-T121 WeakPolarHBondContact O-CB 3.22Å; C117-T121 PolarHBondContact O-N 2.91Å; C117-T121 VanDerWaalsContact O-N 3.07Å; C117-T121 PolarHBondContact O-OG1 2.78Å; I118-T121 PolarHBondContact O-N 3.23Å; V119-T121 VanDerWaalsContact C-N 3.25Å; V119-T121 PolarHBondContact O-N 2.82Å; T121-C172 PolarHBondContact OG1-O 2.9Å; T121-K173 WeakPolarHBondContact CG2-O 3.35Å |
| 122 | R | 91.7 | Very high | 84.2 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -97.9 | -8.7 | -175.2 | -68.6 | 176.2 | 175.8 | -134.5 | 18.8 | 115.1 | I77 F79 W80 G81 I118 V119 E120 N124 Y216 | I77-R122 PolarHBondContact O-NH1 2.65Å; I77-R122 PolarHBondContact O-NH2 2.95Å; F79-R122 WeakPolarHBondContact O-CD 3.46Å; W80-R122 HydrophobicContact CD2-CB 4.45Å; W80-R122 HydrophobicContact CE3-CB 4.04Å; W80-R122 HydrophobicContact CE3-CG 4.32Å; W80-R122 HydrophobicContact CZ3-CB 4.35Å; W80-R122 HydrophobicContact CZ3-CG 4.24Å; G81-R122 PolarHBondContact N-O 2.73Å; I118-R122 WeakPolarHBondContact O-CG 3.34Å; I118-R122 PolarHBondContact O-N 3.07Å; V119-R122 WeakPolarHBondContact O-CA 3.36Å; V119-R122 PolarHBondContact O-N 3.16Å; E120-R122 PolarHBondContact O-N 2.72Å; R122-N124 PolarHBondContact O-N 3.43Å; R122-Y216 PolarHBondContact NH1-OH 3.45Å |
| 123 | K | 90.4 | Very high | 81.7 | Confident | 60 Ų | 60 | 80.8 Ų | 80.8 | 26% | 0.261 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -60.4 | -29.3 | 170.8 | -76.2 | -176.4 | 168 | 171.6 | 0 | 112.2 | D85 V119 E120 | D85-K123 IonicContact OD1-NZ 2.68Å; V119-K123 PolarHBondContact O-N 2.68Å; V119-K123 VanDerWaalsContact O-N 3.16Å; E120-K123 PolarHBondContact O-N 2.68Å; E120-K123 WeakPolarHBondContact OE1-CE 3.35Å; E120-K123 IonicContact OE1-NZ 2.79Å; E120-K123 PolarHBondContact OE1-NZ 3.46Å; E120-K123 IonicContact OE2-NZ 3.89Å |
| 124 | N | 82.9 | Confident | 79.5 | Confident | 130 Ų | 130 | 81.4 Ų | 81.4 | 70% | 0.695 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -97.9 | 104.2 | 175.1 | -61.8 | -60 | 0 | 0 | 0 | 109.9 | R122 | R122-N124 PolarHBondContact O-N 3.43Š|
| 125 | E | 76.6 | Confident | 77.1 | Confident | 131 Ų | 131 | 90.7 Ų | 90.7 | 61% | 0.612 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 138 | 173.3 | -69.1 | -169.7 | 171.8 | 0 | 0 | 111.2 | W80 K127 | W80-E125 HydrophobicContact CE3-CG 4.42Å; E125-K127 PolarHBondContact O-N 2.72Å |
| 126 | P | 77.8 | Confident | 75 | Confident | 31 Ų | 31 | 94.1 Ų | 94.1 | 20% | 0.201 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 138 | 178.6 | 25.9 | -32.8 | 0 | 0 | 0 | 110.4 | P139 F177 | P126-P139 HydrophobicContact CB-CB 4.27Å; P126-P139 HydrophobicContact CG-CB 4.06Å; P126-F177 HydrophobicContact CG-CD2 3.73Å; P126-F177 HydrophobicContact CG-CE2 3.67Å |
| 127 | K | 75.3 | Confident | 73.3 | Confident | 172 Ų | 172 | 93.5 Ų | 93.5 | 75% | 0.748 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 142.9 | 173 | -66.8 | -177.3 | -179.3 | 179.7 | 0 | 109.9 | E125 M140 | E125-K127 PolarHBondContact O-N 2.72Å; K127-M140 HydrophobicContact CB-SD 3.99Å; K127-M140 WeakPolarHBondContact O-CB 3.28Å; K127-M140 WeakPolarHBondContact O-CG 3.38Å; K127-M140 PolarHBondContact O-N 3.36Å |
| 128 | Q | 73.6 | Confident | 72.1 | Confident | 132 Ų | 132 | 98.5 Ų | 98.5 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | B | Isolated β-bridge | trans | -90.5 | 137.1 | -177.1 | -83.6 | -172.2 | 14 | 0 | 0 | 111.3 | V137 | Q128-V137 HydrophobicContact CB-CG1 3.42Å; Q128-V137 VanDerWaalsContact CB-CG1 3.42Å; Q128-V137 HydrophobicContact CG-CB 4.43Å; Q128-V137 HydrophobicContact CG-CG1 3.6Å |
| 129 | E | 67.6 | Low | 71.2 | Confident | 83 Ų | 83 | 99.5 Ų | 99.5 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 160.4 | 167.9 | -70.7 | 179.2 | -180 | 0 | 0 | 110 | S131 V137 K138 M140 | E129-S131 PolarHBondContact O-N 3.39Å; E129-V137 WeakPolarHBondContact O-CG1 3.23Å; E129-K138 VanDerWaalsContact CB-O 3.27Å; E129-K138 WeakPolarHBondContact CB-O 3.45Å; E129-K138 WeakPolarHBondContact CG-O 3.27Å; E129-K138 PolarHBondContact N-O 2.72Å; E129-M140 HydrophobicContact CB-CG 4.35Å; E129-M140 HydrophobicContact CG-CB 4.44Å; E129-M140 HydrophobicContact CG-CG 3.55Å |
| 130 | Y | 61.1 | Low | 70.5 | Confident | 227 Ų | 227 | 104.2 Ų | 104.2 | 89% | 0.89 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 137.1 | 172.5 | -70.4 | -82.2 | 0 | 0 | 0 | 110.9 | I132 | Y130-I132 PolarHBondContact O-N 2.96Š|
| 131 | S | 53.3 | Low | 70.2 | Confident | 95 Ų | 95 | 102.3 Ų | 102.3 | 66% | 0.664 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 124.4 | 176.5 | -66 | 0 | 0 | 0 | 0 | 110.9 | E129 V137 | E129-S131 PolarHBondContact O-N 3.39Å; S131-V137 WeakPolarHBondContact OG-CG2 3.3Å |
| 132 | I | 52.4 | Low | 70.1 | Confident | 121 Ų | 121 | 104.8 Ų | 104.8 | 62% | 0.621 | 54% | 0.54 | S | S | * | . | B | Isolated β-bridge | trans | -91.8 | 122.9 | 163.7 | -57.7 | 175.2 | 0 | 0 | 0 | 106.6 | Y130 G134 R135 | Y130-I132 PolarHBondContact O-N 2.96Å; I132-G134 PolarHBondContact O-N 3.22Å; I132-G134 VanDerWaalsContact O-N 3.1Å; I132-R135 PolarHBondContact O-N 3.46Å |
| 133 | K | 45.4 | Very low | 70.1 | Confident | 211 Ų | 211 | 107.9 Ų | 107.9 | 92% | 0.917 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.6 | 122.5 | 178.9 | -79.6 | -174.5 | 176.2 | -179.3 | 0 | 110.9 | R135 | K133-R135 PolarHBondContact O-N 3Š|
| 134 | G | 52 | Low | 70.3 | Confident | 90 Ų | 90 | 109.4 Ų | 109.4 | 93% | 0.928 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.9 | -5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | I132 | I132-G134 PolarHBondContact O-N 3.22Å; I132-G134 VanDerWaalsContact O-N 3.1Å |
| 135 | R | 47.4 | Very low | 70.8 | Confident | 199 Ų | 199 | 104.2 Ų | 104.2 | 75% | 0.751 | 55% | 0.547 | S | S | * | . | B | Isolated β-bridge | trans | -121.6 | 113.7 | 167.2 | -70 | -176.3 | -178.7 | 179.8 | 1.3 | 106.6 | I132 K133 | I132-R135 PolarHBondContact O-N 3.46Å; K133-R135 PolarHBondContact O-N 3Å |
| 136 | G | 53.2 | Low | 71.7 | Confident | 74 Ų | 74 | 98 Ų | 98 | 76% | 0.763 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -48 | 164.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K138 | G136-K138 PolarHBondContact O-N 3.3Š|
| 137 | V | 60.7 | Low | 72.6 | Confident | 55 Ų | 55 | 100.3 Ų | 100.3 | 33% | 0.333 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 128.1 | -173 | -169.1 | 0 | 0 | 0 | 0 | 110.9 | Q128 E129 S131 | Q128-V137 HydrophobicContact CB-CG1 3.42Å; Q128-V137 VanDerWaalsContact CB-CG1 3.42Å; Q128-V137 HydrophobicContact CG-CB 4.43Å; Q128-V137 HydrophobicContact CG-CG1 3.6Å; E129-V137 WeakPolarHBondContact O-CG1 3.23Å; S131-V137 WeakPolarHBondContact OG-CG2 3.3Å |
| 138 | K | 71.8 | Confident | 73.6 | Confident | 133 Ų | 133 | 97.7 Ų | 97.7 | 58% | 0.578 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -91.9 | 131.2 | 175.4 | -168.2 | -179.8 | 176 | -167.6 | 0 | 109 | E129 G136 M140 | E129-K138 VanDerWaalsContact CB-O 3.27Å; E129-K138 WeakPolarHBondContact CB-O 3.45Å; E129-K138 WeakPolarHBondContact CG-O 3.27Å; E129-K138 PolarHBondContact N-O 2.72Å; G136-K138 PolarHBondContact O-N 3.3Å; K138-M140 PolarHBondContact O-N 2.92Å |
| 139 | P | 78.7 | Confident | 74.7 | Confident | 26 Ų | 26 | 92 Ų | 92 | 17% | 0.169 | 49% | 0.492 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 135.2 | 174.4 | -24.1 | 35.8 | 0 | 0 | 0 | 110.8 | P126 V141 F177 | P126-P139 HydrophobicContact CB-CB 4.27Å; P126-P139 HydrophobicContact CG-CB 4.06Å; P139-V141 PolarHBondContact O-N 3.07Å; P139-F177 HydrophobicContact CB-CB 4.36Å; P139-F177 HydrophobicContact CB-CD1 4.2Å; P139-F177 HydrophobicContact CB-CD2 3.69Å; P139-F177 HydrophobicContact CB-CE1 4.46Å; P139-F177 HydrophobicContact CB-CE2 3.97Å; P139-F177 HydrophobicContact CB-CG 3.8Å; P139-F177 HydrophobicContact CB-CZ 4.34Å; P139-F177 HydrophobicContact CG-CD1 3.68Å; P139-F177 HydrophobicContact CG-CD2 3.78Å; P139-F177 HydrophobicContact CG-CE1 3.55Å; P139-F177 HydrophobicContact CG-CE2 3.64Å; P139-F177 HydrophobicContact CG-CG 3.79Å; P139-F177 HydrophobicContact CG-CZ 3.52Å |
| 140 | M | 81.3 | Confident | 76 | Confident | 102 Ų | 102 | 88.5 Ų | 88.5 | 50% | 0.502 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -66 | 125 | 169.1 | -66.1 | -177.4 | 72.1 | 0 | 0 | 108.5 | K127 E129 K138 | K127-M140 HydrophobicContact CB-SD 3.99Å; K127-M140 WeakPolarHBondContact O-CB 3.28Å; K127-M140 WeakPolarHBondContact O-CG 3.38Å; K127-M140 PolarHBondContact O-N 3.36Å; E129-M140 HydrophobicContact CB-CG 4.35Å; E129-M140 HydrophobicContact CG-CB 4.44Å; E129-M140 HydrophobicContact CG-CG 3.55Å; K138-M140 PolarHBondContact O-N 2.92Å |
| 141 | V | 88.1 | Confident | 77.5 | Confident | 34 Ų | 34 | 84.3 Ų | 84.3 | 21% | 0.206 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 122 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | P139 N143 V146 F177 Q178 R181 | P139-V141 PolarHBondContact O-N 3.07Å; V141-N143 VanDerWaalsContact C-N 3.34Å; V141-N143 PolarHBondContact O-N 2.68Å; V141-V146 HydrophobicContact CG1-CG2 4.07Å; V141-F177 HydrophobicContact CG2-CB 3.94Å; V141-Q178 HydrophobicContact CG1-CB 4.45Å; V141-Q178 HydrophobicContact CG1-CG 3.9Å; V141-R181 HydrophobicContact CG1-CB 3.89Å; V141-R181 HydrophobicContact CG1-CG 4.06Å |
| 142 | N | 90.3 | Very high | 79.5 | Confident | 87 Ų | 87 | 83.3 Ų | 83.3 | 47% | 0.465 | 45% | 0.446 | S | S | . | . | trans | -69.7 | 90.3 | 171.4 | -176.4 | -8 | 0 | 0 | 0 | 109.9 | T144 A145 V146 | N142-T144 PolarHBondContact O-N 3.45Å; N142-T144 WeakPolarHBondContact OD1-CB 3.49Å; N142-T144 PolarHBondContact OD1-N 3.26Å; N142-A145 HydrophobicContact CB-CB 4.28Å; N142-A145 PolarHBondContact O-N 3.14Å; N142-A145 PolarHBondContact OD1-N 3.01Å; N142-V146 WeakPolarHBondContact O-CG2 3.36Å; N142-V146 PolarHBondContact O-N 3.19Å | ||
| 143 | N | 92 | Very high | 81.5 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 39% | 0.39 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.4 | -29.3 | -177.9 | -73.5 | -61.2 | 0 | 0 | 0 | 112.9 | V141 V146 I147 R181 | V141-N143 VanDerWaalsContact C-N 3.34Å; V141-N143 PolarHBondContact O-N 2.68Å; N143-V146 PolarHBondContact O-N 2.79Å; N143-I147 WeakPolarHBondContact O-CD1 3.38Å; N143-I147 VanDerWaalsContact O-CG1 3.23Å; N143-I147 WeakPolarHBondContact O-CG1 3.47Å; N143-I147 PolarHBondContact O-N 2.95Å; N143-R181 PolarHBondContact OD1-NE 2.72Å |
| 144 | T | 94.5 | Very high | 83.7 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 56% | 0.558 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.3 | -51.1 | 178.4 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | N142 V146 I147 E148 | N142-T144 PolarHBondContact O-N 3.45Å; N142-T144 WeakPolarHBondContact OD1-CB 3.49Å; N142-T144 PolarHBondContact OD1-N 3.26Å; T144-V146 VanDerWaalsContact C-N 3.27Å; T144-V146 PolarHBondContact O-N 2.8Å; T144-I147 PolarHBondContact O-N 3.11Å; T144-I147 VanDerWaalsContact O-N 3.07Å; T144-E148 WeakPolarHBondContact O-CG 3.45Å; T144-E148 PolarHBondContact O-N 2.76Å |
| 145 | A | 93.8 | Very high | 85.7 | Confident | 22 Ų | 22 | 70.8 Ų | 70.8 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.9 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | N142 E148 V149 | N142-A145 HydrophobicContact CB-CB 4.28Å; N142-A145 PolarHBondContact O-N 3.14Å; N142-A145 PolarHBondContact OD1-N 3.01Å; A145-E148 PolarHBondContact O-N 2.74Å; A145-V149 WeakPolarHBondContact O-CG2 3.3Å; A145-V149 PolarHBondContact O-N 3.34Å |
| 146 | V | 96.2 | Very high | 88 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 176.3 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | V141 N142 N143 T144 F150 Q178 R181 L182 I185 | V141-V146 HydrophobicContact CG1-CG2 4.07Å; N142-V146 WeakPolarHBondContact O-CG2 3.36Å; N142-V146 PolarHBondContact O-N 3.19Å; N143-V146 PolarHBondContact O-N 2.79Å; T144-V146 VanDerWaalsContact C-N 3.27Å; T144-V146 PolarHBondContact O-N 2.8Å; V146-F150 WeakPolarHBondContact O-CB 3.34Å; V146-F150 PolarHBondContact O-N 3.28Å; V146-Q178 HydrophobicContact CG2-CB 3.67Å; V146-Q178 HydrophobicContact CG2-CG 3.9Å; V146-R181 HydrophobicContact CG1-CB 4.32Å; V146-R181 HydrophobicContact CG1-CG 4.03Å; V146-R181 HydrophobicContact CG2-CB 4.34Å; V146-R181 HydrophobicContact CG2-CG 4.35Å; V146-L182 HydrophobicContact CG1-CB 3.97Å; V146-L182 HydrophobicContact CG1-CD1 4.27Å; V146-I185 HydrophobicContact CG1-CD1 3.73Å |
| 147 | I | 95.4 | Very high | 89.8 | Confident | 80 Ų | 80 | 59.3 Ų | 59.3 | 41% | 0.41 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.3 | -41 | 179.1 | -70.7 | 165.7 | 0 | 0 | 0 | 110.9 | N143 T144 F150 Y151 | N143-I147 WeakPolarHBondContact O-CD1 3.38Å; N143-I147 VanDerWaalsContact O-CG1 3.23Å; N143-I147 WeakPolarHBondContact O-CG1 3.47Å; N143-I147 PolarHBondContact O-N 2.95Å; T144-I147 PolarHBondContact O-N 3.11Å; T144-I147 VanDerWaalsContact O-N 3.07Å; I147-F150 WeakPolarHBondContact O-CB 3.36Å; I147-F150 PolarHBondContact O-N 3.3Å; I147-Y151 HydrophobicContact CG2-CD2 3.76Å; I147-Y151 HydrophobicContact CG2-CE2 3.45Å; I147-Y151 VanDerWaalsContact CG2-CE2 3.45Å; I147-Y151 VanDerWaalsContact O-CD2 3.22Å; I147-Y151 WeakPolarHBondContact O-CD2 3.44Å; I147-Y151 PolarHBondContact O-N 2.96Å; I147-Y151 VanDerWaalsContact O-N 3.09Å |
| 148 | E | 96.4 | Very high | 91.2 | Very high | 117 Ų | 117 | 63.4 Ų | 63.4 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 174.6 | -71.8 | 171.8 | 173.1 | 0 | 0 | 111 | T144 A145 F150 Y151 D152 | T144-E148 WeakPolarHBondContact O-CG 3.45Å; T144-E148 PolarHBondContact O-N 2.76Å; A145-E148 PolarHBondContact O-N 2.74Å; E148-F150 VanDerWaalsContact C-N 3.28Å; E148-F150 PolarHBondContact O-N 2.73Å; E148-Y151 PolarHBondContact O-N 2.82Å; E148-D152 PolarHBondContact O-N 3.47Å |
| 149 | V | 96.3 | Very high | 92 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62 | -36.2 | 176.7 | 169.6 | 0 | 0 | 0 | 0 | 111.9 | A145 D152 I153 R170 L174 L182 | A145-V149 WeakPolarHBondContact O-CG2 3.3Å; A145-V149 PolarHBondContact O-N 3.34Å; V149-D152 PolarHBondContact O-N 3.03Å; V149-I153 HydrophobicContact CG1-CD1 3.66Å; V149-I153 HydrophobicContact CG1-CG1 4.22Å; V149-I153 WeakPolarHBondContact O-CB 3.5Å; V149-I153 WeakPolarHBondContact O-CD1 3.49Å; V149-I153 WeakPolarHBondContact O-CG1 3.28Å; V149-I153 PolarHBondContact O-N 3.1Å; V149-R170 HydrophobicContact CG1-CB 4.23Å; V149-L174 HydrophobicContact CB-CD1 4.38Å; V149-L174 HydrophobicContact CB-CD2 4.2Å; V149-L174 HydrophobicContact CG1-CD1 3.83Å; V149-L174 HydrophobicContact CG1-CD2 4.41Å; V149-L174 HydrophobicContact CG1-CG 4.22Å; V149-L174 HydrophobicContact CG2-CD2 3.84Å; V149-L174 HydrophobicContact CG2-CG 4.36Å; V149-L182 HydrophobicContact CG1-CD2 4.37Å |
| 150 | F | 95 | Very high | 92.2 | Very high | 9 Ų | 9 | 65 Ų | 65 | 4% | 0.039 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 175.4 | 173.9 | -97.8 | 0 | 0 | 0 | 112.2 | V146 I147 E148 I153 M154 L182 I185 Y186 K189 | V146-F150 WeakPolarHBondContact O-CB 3.34Å; V146-F150 PolarHBondContact O-N 3.28Å; I147-F150 WeakPolarHBondContact O-CB 3.36Å; I147-F150 PolarHBondContact O-N 3.3Å; E148-F150 VanDerWaalsContact C-N 3.28Å; E148-F150 PolarHBondContact O-N 2.73Å; F150-I153 PolarHBondContact O-N 3.49Å; F150-M154 HydrophobicContact CD1-SD 4.29Å; F150-M154 HydrophobicContact CE1-CE 3.51Å; F150-M154 HydrophobicContact CE1-SD 3.61Å; F150-M154 HydrophobicContact CE2-CE 3.92Å; F150-M154 HydrophobicContact CZ-CE 3.13Å; F150-M154 HydrophobicContact CZ-SD 3.88Å; F150-M154 PolarHBondContact O-N 3.29Å; F150-M154 VanDerWaalsContact O-N 3.16Å; F150-L182 HydrophobicContact CB-CD1 3.69Å; F150-L182 HydrophobicContact CD2-CD1 3.98Å; F150-L182 HydrophobicContact CG-CD1 4.35Å; F150-I185 HydrophobicContact CD2-CG2 3.74Å; F150-I185 HydrophobicContact CE1-CG2 4.43Å; F150-I185 HydrophobicContact CE2-CG2 3.63Å; F150-I185 HydrophobicContact CG-CG2 4.18Å; F150-I185 HydrophobicContact CZ-CG2 3.97Å; F150-Y186 AromaticContact CD2-CD2 3.93Å; F150-Y186 HydrophobicContact CD2-CD2 3.93Å; F150-Y186 AromaticContact CD2-CE2 3.55Å; F150-Y186 HydrophobicContact CD2-CE2 3.55Å; F150-Y186 HydrophobicContact CE2-CD2 4.02Å; F150-Y186 AromaticContact CE2-CE2 3.84Å; F150-Y186 HydrophobicContact CE2-CE2 3.84Å; F150-Y186 HydrophobicContact CE2-CG 4.45Å; F150-K189 HydrophobicContact CZ-CG 4.24Å |
| 151 | Y | 94.4 | Very high | 92.6 | Very high | 138 Ų | 138 | 67.6 Ų | 67.6 | 54% | 0.541 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69 | -40.2 | 178.4 | -72.8 | -61.3 | 0 | 0 | 0 | 112.4 | I147 E148 I153 M154 V155 | I147-Y151 HydrophobicContact CG2-CD2 3.76Å; I147-Y151 HydrophobicContact CG2-CE2 3.45Å; I147-Y151 VanDerWaalsContact CG2-CE2 3.45Å; I147-Y151 VanDerWaalsContact O-CD2 3.22Å; I147-Y151 WeakPolarHBondContact O-CD2 3.44Å; I147-Y151 PolarHBondContact O-N 2.96Å; I147-Y151 VanDerWaalsContact O-N 3.09Å; E148-Y151 PolarHBondContact O-N 2.82Å; Y151-I153 VanDerWaalsContact C-N 3.27Å; Y151-I153 PolarHBondContact O-N 2.95Å; Y151-M154 HydrophobicContact CD1-SD 4.37Å; Y151-M154 WeakPolarHBondContact O-CB 3.3Å; Y151-M154 PolarHBondContact O-N 3.26Å; Y151-M154 VanDerWaalsContact O-N 3.11Å; Y151-V155 PolarHBondContact O-N 2.98Å; Y151-V155 VanDerWaalsContact O-N 3.12Å |
| 152 | D | 95.4 | Very high | 92.7 | Very high | 74 Ų | 74 | 71.2 Ų | 71.2 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.3 | -42.8 | 174.1 | -81.8 | 0.6 | 0 | 0 | 0 | 111.5 | E148 V149 M154 V155 V156 R170 | E148-D152 PolarHBondContact O-N 3.47Å; V149-D152 PolarHBondContact O-N 3.03Å; D152-M154 VanDerWaalsContact C-N 3.34Å; D152-M154 PolarHBondContact O-N 3.35Å; D152-V155 PolarHBondContact O-N 3.46Å; D152-V156 VanDerWaalsContact O-CG2 3.28Å; D152-V156 WeakPolarHBondContact O-CG2 3.47Å; D152-V156 PolarHBondContact O-N 3.48Å; D152-R170 HydrophobicContact CB-CG 3.89Å |
| 153 | I | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 177.2 | -69.7 | 164.6 | 0 | 0 | 0 | 110.6 | V149 F150 Y151 V155 V156 L157 L167 R170 L171 L182 Y186 | V149-I153 HydrophobicContact CG1-CD1 3.66Å; V149-I153 HydrophobicContact CG1-CG1 4.22Å; V149-I153 WeakPolarHBondContact O-CB 3.5Å; V149-I153 WeakPolarHBondContact O-CD1 3.49Å; V149-I153 WeakPolarHBondContact O-CG1 3.28Å; V149-I153 PolarHBondContact O-N 3.1Å; F150-I153 PolarHBondContact O-N 3.49Å; Y151-I153 VanDerWaalsContact C-N 3.27Å; Y151-I153 PolarHBondContact O-N 2.95Å; I153-V155 VanDerWaalsContact C-N 3.31Å; I153-V155 PolarHBondContact O-N 2.91Å; I153-V156 PolarHBondContact O-N 3.48Å; I153-V156 VanDerWaalsContact O-N 3.14Å; I153-L157 HydrophobicContact CG2-CD1 3.79Å; I153-L157 HydrophobicContact CG2-CG 3.98Å; I153-L157 VanDerWaalsContact O-CG 3.23Å; I153-L157 WeakPolarHBondContact O-CG 3.46Å; I153-L157 PolarHBondContact O-N 3.27Å; I153-L167 HydrophobicContact CB-CD2 4.34Å; I153-L167 HydrophobicContact CG1-CD2 4.06Å; I153-L167 HydrophobicContact CG2-CD2 3.65Å; I153-R170 HydrophobicContact CG1-CB 4.5Å; I153-L171 HydrophobicContact CD1-CD2 3.59Å; I153-L171 HydrophobicContact CD1-CG 4.17Å; I153-L182 HydrophobicContact CD1-CD2 3.81Å; I153-Y186 WeakPolarHBondContact CG2-OH 3.34Å |
| 154 | M | 91.8 | Very high | 92.9 | Very high | 57 Ų | 57 | 65 Ų | 65 | 28% | 0.281 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 176.9 | -72.1 | -175.6 | 152.2 | 0 | 0 | 111.5 | F150 Y151 D152 V156 L157 D158 V191 | F150-M154 HydrophobicContact CD1-SD 4.29Å; F150-M154 HydrophobicContact CE1-CE 3.51Å; F150-M154 HydrophobicContact CE1-SD 3.61Å; F150-M154 HydrophobicContact CE2-CE 3.92Å; F150-M154 HydrophobicContact CZ-CE 3.13Å; F150-M154 HydrophobicContact CZ-SD 3.88Å; F150-M154 PolarHBondContact O-N 3.29Å; F150-M154 VanDerWaalsContact O-N 3.16Å; Y151-M154 HydrophobicContact CD1-SD 4.37Å; Y151-M154 WeakPolarHBondContact O-CB 3.3Å; Y151-M154 PolarHBondContact O-N 3.26Å; Y151-M154 VanDerWaalsContact O-N 3.11Å; D152-M154 VanDerWaalsContact C-N 3.34Å; D152-M154 PolarHBondContact O-N 3.35Å; M154-V156 VanDerWaalsContact C-N 3.35Å; M154-V156 PolarHBondContact O-N 2.94Å; M154-L157 PolarHBondContact O-N 3.43Å; M154-D158 PolarHBondContact O-N 3.11Å; M154-D158 VanDerWaalsContact O-N 3.16Å; M154-V191 HydrophobicContact CE-CG1 3.89Å |
| 155 | V | 93.7 | Very high | 92.9 | Very high | 103 Ų | 103 | 64.4 Ų | 64.4 | 62% | 0.624 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 175.9 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | Y151 D152 I153 L157 D158 S159 | Y151-V155 PolarHBondContact O-N 2.98Å; Y151-V155 VanDerWaalsContact O-N 3.12Å; D152-V155 PolarHBondContact O-N 3.46Å; I153-V155 VanDerWaalsContact C-N 3.31Å; I153-V155 PolarHBondContact O-N 2.91Å; V155-L157 VanDerWaalsContact C-N 3.31Å; V155-L157 PolarHBondContact O-N 3Å; V155-D158 PolarHBondContact O-N 3.05Å; V155-S159 PolarHBondContact O-N 3.13Å |
| 156 | V | 94.2 | Very high | 93 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 176.6 | 168.3 | 0 | 0 | 0 | 0 | 111.7 | D152 I153 M154 D158 S159 V163 Q166 L167 | D152-V156 VanDerWaalsContact O-CG2 3.28Å; D152-V156 WeakPolarHBondContact O-CG2 3.47Å; D152-V156 PolarHBondContact O-N 3.48Å; I153-V156 PolarHBondContact O-N 3.48Å; I153-V156 VanDerWaalsContact O-N 3.14Å; M154-V156 VanDerWaalsContact C-N 3.35Å; M154-V156 PolarHBondContact O-N 2.94Å; V156-D158 VanDerWaalsContact C-N 3.31Å; V156-D158 PolarHBondContact O-N 3.14Å; V156-S159 VanDerWaalsContact O-CB 3.31Å; V156-S159 WeakPolarHBondContact O-CB 3.42Å; V156-S159 PolarHBondContact O-N 2.93Å; V156-S159 VanDerWaalsContact O-N 3.14Å; V156-V163 HydrophobicContact CG1-CG1 4.17Å; V156-Q166 HydrophobicContact CB-CB 4.41Å; V156-Q166 HydrophobicContact CG1-CB 3.55Å; V156-Q166 HydrophobicContact CG2-CB 3.88Å; V156-L167 HydrophobicContact CG1-CD2 3.96Å; V156-L167 HydrophobicContact CG1-CG 3.99Å |
| 157 | L | 91.2 | Very high | 93 | Very high | 27 Ų | 27 | 65.7 Ų | 65.7 | 14% | 0.141 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.6 | -26.9 | 180 | -68.3 | 175.7 | 0 | 0 | 0 | 112.9 | I153 M154 V155 S159 V163 L167 V197 R201 | I153-L157 HydrophobicContact CG2-CD1 3.79Å; I153-L157 HydrophobicContact CG2-CG 3.98Å; I153-L157 VanDerWaalsContact O-CG 3.23Å; I153-L157 WeakPolarHBondContact O-CG 3.46Å; I153-L157 PolarHBondContact O-N 3.27Å; M154-L157 PolarHBondContact O-N 3.43Å; V155-L157 VanDerWaalsContact C-N 3.31Å; V155-L157 PolarHBondContact O-N 3Å; L157-S159 VanDerWaalsContact C-N 3.26Å; L157-V163 HydrophobicContact CD2-CG1 4.36Å; L157-L167 HydrophobicContact CD2-CD1 4.39Å; L157-L167 HydrophobicContact CD2-CD2 4.41Å; L157-V197 HydrophobicContact CD1-CG1 3.75Å; L157-V197 HydrophobicContact CD1-CG2 4.4Å; L157-V197 HydrophobicContact CD2-CG1 3.49Å; L157-V197 VanDerWaalsContact CD2-CG1 3.49Å; L157-V197 HydrophobicContact CG-CG1 4.24Å; L157-R201 HydrophobicContact CD2-CB 4.33Å; L157-R201 HydrophobicContact CD2-CG 3.99Å; L157-R201 VanDerWaalsContact O-CZ 3.28Å; L157-R201 PolarHBondContact O-NH1 2.95Å; L157-R201 PolarHBondContact O-NH2 2.92Å |
| 158 | D | 90.6 | Very high | 93 | Very high | 141 Ų | 141 | 61.9 Ų | 61.9 | 75% | 0.754 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -77 | -15.4 | 171.7 | -67 | -21.2 | 0 | 0 | 0 | 112.2 | M154 V155 V156 | M154-D158 PolarHBondContact O-N 3.11Å; M154-D158 VanDerWaalsContact O-N 3.16Å; V155-D158 PolarHBondContact O-N 3.05Å; V156-D158 VanDerWaalsContact C-N 3.31Å; V156-D158 PolarHBondContact O-N 3.14Å |
| 159 | S | 89.1 | Confident | 93.1 | Very high | 38 Ų | 38 | 60 Ų | 60 | 27% | 0.266 | 31% | 0.307 | S | S | . | . | trans | -80.7 | 151.6 | 172.6 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | V155 V156 L157 K161 V163 R201 | V155-S159 PolarHBondContact O-N 3.13Å; V156-S159 VanDerWaalsContact O-CB 3.31Å; V156-S159 WeakPolarHBondContact O-CB 3.42Å; V156-S159 PolarHBondContact O-N 2.93Å; V156-S159 VanDerWaalsContact O-N 3.14Å; L157-S159 VanDerWaalsContact C-N 3.26Å; S159-K161 PolarHBondContact OG-N 2.98Å; S159-V163 VanDerWaalsContact O-CG2 3.26Å; S159-V163 WeakPolarHBondContact O-CG2 3.29Å; S159-R201 PolarHBondContact O-NH2 3.11Å; S159-R201 VanDerWaalsContact O-NH2 3.12Å | ||
| 160 | N | 83 | Confident | 93.1 | Very high | 155 Ų | 155 | 62.3 Ų | 62.3 | 83% | 0.829 | 31% | 0.314 | S | S | * | . | trans | -106.6 | 0.6 | 176.5 | -72.6 | -27.3 | 0 | 0 | 0 | 114 | ||||
| 161 | K | 89.2 | Confident | 93.2 | Very high | 155 Ų | 155 | 61.9 Ų | 61.9 | 67% | 0.674 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -110.7 | 132.8 | -177.6 | -66 | -174.2 | 179.7 | -178.2 | 0 | 111.2 | S159 V163 Q166 | S159-K161 PolarHBondContact OG-N 2.98Å; K161-V163 PolarHBondContact O-N 3.25Å; K161-Q166 PolarHBondContact O-NE2 3.29Å |
| 162 | D | 91 | Very high | 93.3 | Very high | 110 Ų | 110 | 55.5 Ų | 55.5 | 59% | 0.588 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 50 | 33.1 | 168.4 | -52.1 | -45.3 | 0 | 0 | 0 | 114.7 | G164 Q165 Q166 | D162-G164 VanDerWaalsContact C-N 3.3Å; D162-G164 PolarHBondContact O-N 2.97Å; D162-Q165 HydrophobicContact CB-CB 4.31Å; D162-Q165 PolarHBondContact O-N 2.91Å; D162-Q166 WeakPolarHBondContact O-CG 3.44Å; D162-Q166 PolarHBondContact O-N 2.82Å |
| 163 | V | 92.9 | Very high | 93.3 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.4 | -45.9 | -170.9 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | V156 L157 S159 K161 Q165 Q166 L167 R201 | V156-V163 HydrophobicContact CG1-CG1 4.17Å; L157-V163 HydrophobicContact CD2-CG1 4.36Å; S159-V163 VanDerWaalsContact O-CG2 3.26Å; S159-V163 WeakPolarHBondContact O-CG2 3.29Å; K161-V163 PolarHBondContact O-N 3.25Å; V163-Q165 PolarHBondContact O-N 3.42Å; V163-Q166 PolarHBondContact O-N 2.84Å; V163-L167 HydrophobicContact CG1-CD1 3.92Å; V163-L167 HydrophobicContact CG1-CG 4.24Å; V163-L167 WeakPolarHBondContact O-CB 3.45Å; V163-L167 VanDerWaalsContact O-CG 3.24Å; V163-L167 WeakPolarHBondContact O-CG 3.35Å; V163-L167 PolarHBondContact O-N 3.31Å; V163-R201 HydrophobicContact CG1-CB 4.02Å |
| 164 | G | 92.5 | Very high | 93.4 | Very high | 14 Ų | 14 | 58.2 Ų | 58.2 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D162 G168 | D162-G164 VanDerWaalsContact C-N 3.3Å; D162-G164 PolarHBondContact O-N 2.97Å; G164-G168 PolarHBondContact O-N 3.42Å |
| 165 | Q | 95.1 | Very high | 93.5 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 176.7 | -171.9 | -180 | 19.6 | 0 | 0 | 111.2 | D162 V163 G168 Q169 L206 | D162-Q165 HydrophobicContact CB-CB 4.31Å; D162-Q165 PolarHBondContact O-N 2.91Å; V163-Q165 PolarHBondContact O-N 3.42Å; Q165-G168 PolarHBondContact O-N 3.46Å; Q165-Q169 WeakPolarHBondContact O-CG 3.5Å; Q165-Q169 PolarHBondContact O-N 2.91Å; Q165-L206 HydrophobicContact CB-CD1 4.18Å |
| 166 | Q | 96 | Very high | 93.5 | Very high | 47 Ų | 47 | 51.7 Ų | 51.7 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 178.3 | -69 | -167.5 | 70.8 | 0 | 0 | 111.7 | V156 K161 D162 V163 G168 Q169 R170 | V156-Q166 HydrophobicContact CB-CB 4.41Å; V156-Q166 HydrophobicContact CG1-CB 3.55Å; V156-Q166 HydrophobicContact CG2-CB 3.88Å; K161-Q166 PolarHBondContact O-NE2 3.29Å; D162-Q166 WeakPolarHBondContact O-CG 3.44Å; D162-Q166 PolarHBondContact O-N 2.82Å; V163-Q166 PolarHBondContact O-N 2.84Å; Q166-G168 VanDerWaalsContact C-N 3.33Å; Q166-G168 PolarHBondContact O-N 2.86Å; Q166-Q169 PolarHBondContact O-N 2.7Å; Q166-R170 WeakPolarHBondContact O-CD 3.41Å; Q166-R170 PolarHBondContact O-N 2.85Å |
| 167 | L | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58 | -46.1 | 172.8 | -70.9 | 175.4 | 0 | 0 | 0 | 111.1 | I153 V156 L157 V163 Q169 R170 L171 L198 R201 T202 L210 | I153-L167 HydrophobicContact CB-CD2 4.34Å; I153-L167 HydrophobicContact CG1-CD2 4.06Å; I153-L167 HydrophobicContact CG2-CD2 3.65Å; V156-L167 HydrophobicContact CG1-CD2 3.96Å; V156-L167 HydrophobicContact CG1-CG 3.99Å; L157-L167 HydrophobicContact CD2-CD1 4.39Å; L157-L167 HydrophobicContact CD2-CD2 4.41Å; V163-L167 HydrophobicContact CG1-CD1 3.92Å; V163-L167 HydrophobicContact CG1-CG 4.24Å; V163-L167 WeakPolarHBondContact O-CB 3.45Å; V163-L167 VanDerWaalsContact O-CG 3.24Å; V163-L167 WeakPolarHBondContact O-CG 3.35Å; V163-L167 PolarHBondContact O-N 3.31Å; L167-Q169 VanDerWaalsContact C-N 3.34Å; L167-Q169 PolarHBondContact O-N 2.96Å; L167-R170 PolarHBondContact O-N 2.53Å; L167-R170 VanDerWaalsContact O-N 3.15Å; L167-L171 HydrophobicContact CB-CD1 4.29Å; L167-L171 WeakPolarHBondContact O-CB 3.19Å; L167-L171 WeakPolarHBondContact O-CG 3.22Å; L167-L171 PolarHBondContact O-N 3.34Å; L167-L198 HydrophobicContact CD1-CD2 4.33Å; L167-R201 HydrophobicContact CD1-CB 4.48Å; L167-T202 HydrophobicContact CD1-CG2 3.66Å; L167-L210 HydrophobicContact CB-CD1 4.19Å |
| 168 | G | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -50.8 | -49.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G164 Q165 Q166 R170 C172 | G164-G168 PolarHBondContact O-N 3.42Å; Q165-G168 PolarHBondContact O-N 3.46Å; Q166-G168 VanDerWaalsContact C-N 3.33Å; Q166-G168 PolarHBondContact O-N 2.86Å; G168-R170 PolarHBondContact O-N 2.74Å; G168-C172 WeakPolarHBondContact O-CB 3.45Å; G168-C172 PolarHBondContact O-N 3.11Å; G168-C172 PolarHBondContact O-SG 3.14Å |
| 169 | Q | 96.7 | Very high | 93.9 | Very high | 79 Ų | 79 | 47.8 Ų | 47.8 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.1 | -22 | -178.7 | -70.8 | 170.7 | -0.9 | 0 | 0 | 114.6 | Q165 Q166 L167 K173 | Q165-Q169 WeakPolarHBondContact O-CG 3.5Å; Q165-Q169 PolarHBondContact O-N 2.91Å; Q166-Q169 PolarHBondContact O-N 2.7Å; L167-Q169 VanDerWaalsContact C-N 3.34Å; L167-Q169 PolarHBondContact O-N 2.96Å; Q169-K173 VanDerWaalsContact O-CE 3.29Å; Q169-K173 WeakPolarHBondContact O-CE 3.42Å |
| 170 | R | 97.1 | Very high | 94.2 | Very high | 60 Ų | 60 | 49.6 Ų | 49.6 | 23% | 0.226 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -94.8 | -49.4 | 178.2 | -81.6 | 75.9 | -175 | 152.7 | -4.2 | 110.7 | V149 D152 I153 Q166 L167 G168 C172 K173 | V149-R170 HydrophobicContact CG1-CB 4.23Å; D152-R170 HydrophobicContact CB-CG 3.89Å; I153-R170 HydrophobicContact CG1-CB 4.5Å; Q166-R170 WeakPolarHBondContact O-CD 3.41Å; Q166-R170 PolarHBondContact O-N 2.85Å; L167-R170 PolarHBondContact O-N 2.53Å; L167-R170 VanDerWaalsContact O-N 3.15Å; G168-R170 PolarHBondContact O-N 2.74Å; R170-C172 VanDerWaalsContact C-N 3.32Å; R170-C172 PolarHBondContact O-N 3.06Å; R170-K173 WeakPolarHBondContact O-CB 3.5Å; R170-K173 PolarHBondContact O-N 3.39Å |
| 171 | L | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.3 | -31.5 | -176.2 | -69.5 | 172.5 | 0 | 0 | 0 | 112.7 | I153 L167 K173 L174 F179 L182 L198 L210 M213 | I153-L171 HydrophobicContact CD1-CD2 3.59Å; I153-L171 HydrophobicContact CD1-CG 4.17Å; L167-L171 HydrophobicContact CB-CD1 4.29Å; L167-L171 WeakPolarHBondContact O-CB 3.19Å; L167-L171 WeakPolarHBondContact O-CG 3.22Å; L167-L171 PolarHBondContact O-N 3.34Å; L171-K173 PolarHBondContact O-N 3.22Å; L171-K173 VanDerWaalsContact O-N 3.17Å; L171-L174 HydrophobicContact CD2-CD1 4.42Å; L171-L174 PolarHBondContact O-N 2.99Å; L171-L174 VanDerWaalsContact O-N 3.12Å; L171-F179 HydrophobicContact CB-CE2 4Å; L171-F179 HydrophobicContact CD1-CZ 4.31Å; L171-F179 HydrophobicContact CD2-CE2 3.85Å; L171-F179 HydrophobicContact CD2-CZ 3.88Å; L171-F179 HydrophobicContact CG-CE2 4.34Å; L171-L182 HydrophobicContact CD2-CD2 3.62Å; L171-L198 HydrophobicContact CD1-CD2 3.7Å; L171-L210 HydrophobicContact CB-CD2 4.12Å; L171-L210 HydrophobicContact CD1-CD2 3.79Å; L171-M213 HydrophobicContact CB-CE 4.35Å; L171-M213 WeakPolarHBondContact O-CE 3.3Å |
| 172 | C | 96.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.7 | 177.9 | 72.3 | 0 | 0 | 0 | 0 | 113.9 | C117 I118 T121 G168 R170 L174 | C117-C172 HydrophobicContact CB-CB 3.57Å; C117-C172 WeakPolarHBondContact CB-SG 3.26Å; C117-C172 WeakPolarHBondContact SG-CB 3.47Å; C117-C172 CovalentContact SG-SG 2.03Å; C117-C172 PolarHBondContact SG-SG 3.4Å; I118-C172 HydrophobicContact CG1-CB 3.86Å; T121-C172 PolarHBondContact OG1-O 2.9Å; G168-C172 WeakPolarHBondContact O-CB 3.45Å; G168-C172 PolarHBondContact O-N 3.11Å; G168-C172 PolarHBondContact O-SG 3.14Å; R170-C172 VanDerWaalsContact C-N 3.32Å; R170-C172 PolarHBondContact O-N 3.06Å; C172-L174 VanDerWaalsContact C-N 3.31Å |
| 173 | K | 95.5 | Very high | 95.3 | Very high | 125 Ų | 125 | 33.4 Ų | 33.4 | 54% | 0.543 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -3.3 | 177.7 | -57.6 | 179.3 | 178.8 | 178.6 | 0 | 113.5 | T121 Q169 R170 L171 | T121-K173 WeakPolarHBondContact CG2-O 3.35Å; Q169-K173 VanDerWaalsContact O-CE 3.29Å; Q169-K173 WeakPolarHBondContact O-CE 3.42Å; R170-K173 WeakPolarHBondContact O-CB 3.5Å; R170-K173 PolarHBondContact O-N 3.39Å; L171-K173 PolarHBondContact O-N 3.22Å; L171-K173 VanDerWaalsContact O-N 3.17Å |
| 174 | L | 95.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -98.7 | 128.7 | 177.9 | -59.9 | -174.2 | 0 | 0 | 0 | 110.3 | V149 L171 C172 Q178 F179 L182 | V149-L174 HydrophobicContact CB-CD1 4.38Å; V149-L174 HydrophobicContact CB-CD2 4.2Å; V149-L174 HydrophobicContact CG1-CD1 3.83Å; V149-L174 HydrophobicContact CG1-CD2 4.41Å; V149-L174 HydrophobicContact CG1-CG 4.22Å; V149-L174 HydrophobicContact CG2-CD2 3.84Å; V149-L174 HydrophobicContact CG2-CG 4.36Å; L171-L174 HydrophobicContact CD2-CD1 4.42Å; L171-L174 PolarHBondContact O-N 2.99Å; L171-L174 VanDerWaalsContact O-N 3.12Å; C172-L174 VanDerWaalsContact C-N 3.31Å; L174-Q178 HydrophobicContact CB-CB 4.07Å; L174-Q178 HydrophobicContact CD2-CB 4.07Å; L174-F179 HydrophobicContact CB-CB 4.36Å; L174-F179 HydrophobicContact CB-CD2 4.35Å; L174-L182 HydrophobicContact CD1-CB 4.25Å; L174-L182 HydrophobicContact CD1-CD2 3.71Å |
| 175 | D | 94.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | trans | -66.8 | 163.6 | 163.2 | 72.3 | 60 | 0 | 0 | 0 | 110.6 | W80 F177 Q178 F179 | W80-D175 HydrophobicContact CH2-CB 4.38Å; D175-F177 VanDerWaalsContact C-N 3.26Å; D175-F177 PolarHBondContact O-N 3.47Å; D175-F177 WeakPolarHBondContact OD1-CA 3.24Å; D175-F177 WeakPolarHBondContact OD1-CB 3.45Å; D175-F177 PolarHBondContact OD1-N 3.31Å; D175-Q178 WeakPolarHBondContact O-CB 3.45Å; D175-Q178 PolarHBondContact O-N 2.86Å; D175-Q178 PolarHBondContact OD1-N 2.88Å; D175-Q178 WeakPolarHBondContact OD2-CG 3.23Å; D175-Q178 PolarHBondContact OD2-NE2 3.49Å; D175-F179 WeakPolarHBondContact O-CB 3.1Å; D175-F179 PolarHBondContact O-N 2.66Å | ||
| 176 | P | 94.6 | Very high | 95.3 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 7% | 0.065 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.7 | -33.8 | -179.6 | -31.8 | 38.3 | 0 | 0 | 0 | 116.1 | W80 F179 Q180 Y216 S217 | W80-P176 HydrophobicContact CH2-CG 4.12Å; W80-P176 HydrophobicContact CZ2-CG 3.76Å; P176-F179 PolarHBondContact O-N 3.35Å; P176-Q180 WeakPolarHBondContact O-CB 3.3Å; P176-Q180 PolarHBondContact O-N 3.13Å; P176-Y216 HydrophobicContact CB-CD1 4.46Å; P176-Y216 HydrophobicContact CB-CE1 4.17Å; P176-Y216 HydrophobicContact CG-CD1 4.15Å; P176-Y216 HydrophobicContact CG-CE1 3.65Å; P176-S217 VanDerWaalsContact CA-OG 3.29Å; P176-S217 WeakPolarHBondContact CA-OG 3.27Å; P176-S217 WeakPolarHBondContact CB-OG 3.5Å |
| 177 | F | 93.7 | Very high | 95 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 29% | 0.285 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -76.5 | -40.3 | -179.1 | -49.4 | -69.8 | 0 | 0 | 0 | 111.1 | W80 P126 P139 V141 D175 F179 Q180 R181 | W80-F177 HydrophobicContact CH2-CD2 4.48Å; W80-F177 AromaticContact CH2-CE2 3.92Å; W80-F177 HydrophobicContact CH2-CE2 3.92Å; W80-F177 HydrophobicContact CZ2-CE2 4.31Å; P126-F177 HydrophobicContact CG-CD2 3.73Å; P126-F177 HydrophobicContact CG-CE2 3.67Å; P139-F177 HydrophobicContact CB-CB 4.36Å; P139-F177 HydrophobicContact CB-CD1 4.2Å; P139-F177 HydrophobicContact CB-CD2 3.69Å; P139-F177 HydrophobicContact CB-CE1 4.46Å; P139-F177 HydrophobicContact CB-CE2 3.97Å; P139-F177 HydrophobicContact CB-CG 3.8Å; P139-F177 HydrophobicContact CB-CZ 4.34Å; P139-F177 HydrophobicContact CG-CD1 3.68Å; P139-F177 HydrophobicContact CG-CD2 3.78Å; P139-F177 HydrophobicContact CG-CE1 3.55Å; P139-F177 HydrophobicContact CG-CE2 3.64Å; P139-F177 HydrophobicContact CG-CG 3.79Å; P139-F177 HydrophobicContact CG-CZ 3.52Å; V141-F177 HydrophobicContact CG2-CB 3.94Å; D175-F177 VanDerWaalsContact C-N 3.26Å; D175-F177 PolarHBondContact O-N 3.47Å; D175-F177 WeakPolarHBondContact OD1-CA 3.24Å; D175-F177 WeakPolarHBondContact OD1-CB 3.45Å; D175-F177 PolarHBondContact OD1-N 3.31Å; F177-F179 VanDerWaalsContact C-N 3.33Å; F177-Q180 PolarHBondContact O-N 2.83Å; F177-R181 WeakPolarHBondContact O-CB 3.3Å; F177-R181 PolarHBondContact O-N 3.05Å |
| 178 | Q | 95.2 | Very high | 94.7 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 169.1 | -71.3 | 175.2 | 4.1 | 0 | 0 | 111.6 | V141 V146 L174 D175 R181 L182 | V141-Q178 HydrophobicContact CG1-CB 4.45Å; V141-Q178 HydrophobicContact CG1-CG 3.9Å; V146-Q178 HydrophobicContact CG2-CB 3.67Å; V146-Q178 HydrophobicContact CG2-CG 3.9Å; L174-Q178 HydrophobicContact CB-CB 4.07Å; L174-Q178 HydrophobicContact CD2-CB 4.07Å; D175-Q178 WeakPolarHBondContact O-CB 3.45Å; D175-Q178 PolarHBondContact O-N 2.86Å; D175-Q178 PolarHBondContact OD1-N 2.88Å; D175-Q178 WeakPolarHBondContact OD2-CG 3.23Å; D175-Q178 PolarHBondContact OD2-NE2 3.49Å; Q178-R181 WeakPolarHBondContact O-CB 3.34Å; Q178-R181 PolarHBondContact O-N 3.29Å; Q178-L182 PolarHBondContact O-N 3.19Å |
| 179 | F | 95.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 175.9 | -153.6 | -57.3 | 0 | 0 | 0 | 111.2 | L171 L174 D175 P176 F177 R181 L182 N183 L194 L198 M213 Y214 | L171-F179 HydrophobicContact CB-CE2 4Å; L171-F179 HydrophobicContact CD1-CZ 4.31Å; L171-F179 HydrophobicContact CD2-CE2 3.85Å; L171-F179 HydrophobicContact CD2-CZ 3.88Å; L171-F179 HydrophobicContact CG-CE2 4.34Å; L174-F179 HydrophobicContact CB-CB 4.36Å; L174-F179 HydrophobicContact CB-CD2 4.35Å; D175-F179 WeakPolarHBondContact O-CB 3.1Å; D175-F179 PolarHBondContact O-N 2.66Å; P176-F179 PolarHBondContact O-N 3.35Å; F177-F179 VanDerWaalsContact C-N 3.33Å; F179-R181 VanDerWaalsContact C-N 3.28Å; F179-R181 PolarHBondContact O-N 3.17Å; F179-L182 WeakPolarHBondContact O-CB 3.34Å; F179-L182 PolarHBondContact O-N 3.07Å; F179-N183 PolarHBondContact O-N 3.47Å; F179-L194 HydrophobicContact CD1-CD2 4.29Å; F179-L194 HydrophobicContact CE1-CD2 3.62Å; F179-L194 HydrophobicContact CZ-CD2 4.37Å; F179-L198 HydrophobicContact CZ-CD1 4.48Å; F179-M213 HydrophobicContact CD2-CE 4.27Å; F179-M213 HydrophobicContact CE2-CB 4.15Å; F179-M213 HydrophobicContact CE2-CE 3.93Å; F179-Y214 AromaticContact CE1-CD2 3.86Å; F179-Y214 HydrophobicContact CE1-CD2 3.86Å |
| 180 | Q | 95.1 | Very high | 93.1 | Very high | 77 Ų | 77 | 54.4 Ų | 54.4 | 36% | 0.36 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.1 | -41 | 174.1 | -165 | -169.4 | 11.7 | 0 | 0 | 111.1 | P176 F177 N183 M184 I218 | P176-Q180 WeakPolarHBondContact O-CB 3.3Å; P176-Q180 PolarHBondContact O-N 3.13Å; F177-Q180 PolarHBondContact O-N 2.83Å; Q180-N183 PolarHBondContact O-N 3Å; Q180-M184 HydrophobicContact CG-CE 3.97Å; Q180-M184 WeakPolarHBondContact O-CG 3.34Å; Q180-M184 PolarHBondContact O-N 2.91Å; Q180-I218 HydrophobicContact CG-CD1 4.41Å |
| 181 | R | 94.9 | Very high | 92 | Very high | 74 Ų | 74 | 54.2 Ų | 54.2 | 28% | 0.279 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 175.6 | -177.2 | 61 | 174.9 | 142.3 | 2.3 | 112.1 | V141 N143 V146 F177 Q178 F179 N183 M184 I185 | V141-R181 HydrophobicContact CG1-CB 3.89Å; V141-R181 HydrophobicContact CG1-CG 4.06Å; N143-R181 PolarHBondContact OD1-NE 2.72Å; V146-R181 HydrophobicContact CG1-CB 4.32Å; V146-R181 HydrophobicContact CG1-CG 4.03Å; V146-R181 HydrophobicContact CG2-CB 4.34Å; V146-R181 HydrophobicContact CG2-CG 4.35Å; F177-R181 WeakPolarHBondContact O-CB 3.3Å; F177-R181 PolarHBondContact O-N 3.05Å; Q178-R181 WeakPolarHBondContact O-CB 3.34Å; Q178-R181 PolarHBondContact O-N 3.29Å; F179-R181 VanDerWaalsContact C-N 3.28Å; F179-R181 PolarHBondContact O-N 3.17Å; R181-N183 VanDerWaalsContact C-N 3.33Å; R181-N183 PolarHBondContact O-N 3.26Å; R181-M184 WeakPolarHBondContact O-CB 3.26Å; R181-M184 PolarHBondContact O-N 3.33Å; R181-M184 VanDerWaalsContact O-N 3.15Å; R181-I185 PolarHBondContact O-N 2.97Å; R181-I185 VanDerWaalsContact O-N 3.1Å |
| 182 | L | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.2 | -48.3 | 173.5 | -178.6 | 66.5 | 0 | 0 | 0 | 110.6 | V146 V149 F150 I153 L171 L174 Q178 F179 M184 I185 Y186 L194 | V146-L182 HydrophobicContact CG1-CB 3.97Å; V146-L182 HydrophobicContact CG1-CD1 4.27Å; V149-L182 HydrophobicContact CG1-CD2 4.37Å; F150-L182 HydrophobicContact CB-CD1 3.69Å; F150-L182 HydrophobicContact CD2-CD1 3.98Å; F150-L182 HydrophobicContact CG-CD1 4.35Å; I153-L182 HydrophobicContact CD1-CD2 3.81Å; L171-L182 HydrophobicContact CD2-CD2 3.62Å; L174-L182 HydrophobicContact CD1-CB 4.25Å; L174-L182 HydrophobicContact CD1-CD2 3.71Å; Q178-L182 PolarHBondContact O-N 3.19Å; F179-L182 WeakPolarHBondContact O-CB 3.34Å; F179-L182 PolarHBondContact O-N 3.07Å; L182-M184 VanDerWaalsContact C-N 3.28Å; L182-M184 PolarHBondContact O-N 3.46Å; L182-I185 WeakPolarHBondContact O-CB 3Å; L182-I185 PolarHBondContact O-N 2.86Å; L182-Y186 HydrophobicContact CD1-CD2 4.07Å; L182-Y186 HydrophobicContact CD1-CE2 3.83Å; L182-Y186 HydrophobicContact CD2-CE2 4.48Å; L182-Y186 HydrophobicContact CG-CD2 4.01Å; L182-Y186 HydrophobicContact CG-CE2 4.01Å; L182-Y186 WeakPolarHBondContact O-CD2 3.49Å; L182-Y186 PolarHBondContact O-N 2.91Å; L182-L194 HydrophobicContact CD2-CD2 3.85Å; L182-L194 HydrophobicContact CG-CD2 4.05Å |
| 183 | N | 95.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.027 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.3 | -36.1 | 177.7 | -174.8 | 56.1 | 0 | 0 | 0 | 112.6 | F179 Q180 R181 I185 Y186 K187 L194 Y214 I218 | F179-N183 PolarHBondContact O-N 3.47Å; Q180-N183 PolarHBondContact O-N 3Å; R181-N183 VanDerWaalsContact C-N 3.33Å; R181-N183 PolarHBondContact O-N 3.26Å; N183-I185 VanDerWaalsContact C-N 3.34Å; N183-Y186 PolarHBondContact O-N 2.96Å; N183-K187 WeakPolarHBondContact O-CG 3.33Å; N183-K187 PolarHBondContact O-N 3.44Å; N183-L194 HydrophobicContact CB-CD2 4.35Å; N183-Y214 WeakPolarHBondContact OD1-CE2 3.32Å; N183-Y214 PolarHBondContact OD1-OH 2.87Å; N183-Y214 VanDerWaalsContact OD1-OH 3.11Å; N183-I218 HydrophobicContact CB-CD1 3.55Å; N183-I218 VanDerWaalsContact ND2-CD1 3.28Å; N183-I218 WeakPolarHBondContact ND2-CD1 3.33Å |
| 184 | M | 93.8 | Very high | 90.6 | Very high | 76 Ų | 76 | 59.5 Ų | 59.5 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.9 | -34.7 | 173.4 | -65.6 | -177.8 | -161.2 | 0 | 0 | 112.9 | Q180 R181 L182 R188 | Q180-M184 HydrophobicContact CG-CE 3.97Å; Q180-M184 WeakPolarHBondContact O-CG 3.34Å; Q180-M184 PolarHBondContact O-N 2.91Å; R181-M184 WeakPolarHBondContact O-CB 3.26Å; R181-M184 PolarHBondContact O-N 3.33Å; R181-M184 VanDerWaalsContact O-N 3.15Å; L182-M184 VanDerWaalsContact C-N 3.28Å; L182-M184 PolarHBondContact O-N 3.46Å; M184-R188 WeakPolarHBondContact O-CG 3.47Å; M184-R188 PolarHBondContact O-N 3.31Å |
| 185 | I | 93.3 | Very high | 90.5 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 175 | -65.2 | 170.2 | 0 | 0 | 0 | 109.6 | V146 F150 R181 L182 N183 K187 R188 K189 | V146-I185 HydrophobicContact CG1-CD1 3.73Å; F150-I185 HydrophobicContact CD2-CG2 3.74Å; F150-I185 HydrophobicContact CE1-CG2 4.43Å; F150-I185 HydrophobicContact CE2-CG2 3.63Å; F150-I185 HydrophobicContact CG-CG2 4.18Å; F150-I185 HydrophobicContact CZ-CG2 3.97Å; R181-I185 PolarHBondContact O-N 2.97Å; R181-I185 VanDerWaalsContact O-N 3.1Å; L182-I185 WeakPolarHBondContact O-CB 3Å; L182-I185 PolarHBondContact O-N 2.86Å; N183-I185 VanDerWaalsContact C-N 3.34Å; I185-K187 VanDerWaalsContact C-N 3.33Å; I185-K187 PolarHBondContact O-N 3.47Å; I185-R188 PolarHBondContact O-N 3.15Å; I185-R188 VanDerWaalsContact O-N 3.07Å; I185-K189 PolarHBondContact O-N 3.49Å |
| 186 | Y | 92.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.7 | -46.3 | 175.8 | -91.9 | -90.6 | 0 | 0 | 0 | 112.2 | F150 I153 L182 N183 R188 K189 V191 R192 L194 V197 | F150-Y186 AromaticContact CD2-CD2 3.93Å; F150-Y186 HydrophobicContact CD2-CD2 3.93Å; F150-Y186 AromaticContact CD2-CE2 3.55Å; F150-Y186 HydrophobicContact CD2-CE2 3.55Å; F150-Y186 HydrophobicContact CE2-CD2 4.02Å; F150-Y186 AromaticContact CE2-CE2 3.84Å; F150-Y186 HydrophobicContact CE2-CE2 3.84Å; F150-Y186 HydrophobicContact CE2-CG 4.45Å; I153-Y186 WeakPolarHBondContact CG2-OH 3.34Å; L182-Y186 HydrophobicContact CD1-CD2 4.07Å; L182-Y186 HydrophobicContact CD1-CE2 3.83Å; L182-Y186 HydrophobicContact CD2-CE2 4.48Å; L182-Y186 HydrophobicContact CG-CD2 4.01Å; L182-Y186 HydrophobicContact CG-CE2 4.01Å; L182-Y186 WeakPolarHBondContact O-CD2 3.49Å; L182-Y186 PolarHBondContact O-N 2.91Å; N183-Y186 PolarHBondContact O-N 2.96Å; Y186-R188 PolarHBondContact O-N 3.35Å; Y186-R188 VanDerWaalsContact O-N 3.16Å; Y186-K189 PolarHBondContact O-N 3.28Å; Y186-V191 HydrophobicContact CD1-CG2 3.72Å; Y186-V191 HydrophobicContact CE1-CG2 4.15Å; Y186-R192 VanDerWaalsContact CD1-O 3.32Å; Y186-R192 WeakPolarHBondContact CD1-O 3.44Å; Y186-L194 HydrophobicContact CD1-CB 4.09Å; Y186-L194 HydrophobicContact CD2-CB 4Å; Y186-L194 HydrophobicContact CD2-CD1 4.25Å; Y186-L194 HydrophobicContact CD2-CD2 4.32Å; Y186-L194 HydrophobicContact CD2-CG 4.43Å; Y186-L194 HydrophobicContact CE1-CD1 4.41Å; Y186-L194 HydrophobicContact CE2-CD1 3.93Å; Y186-L194 HydrophobicContact CG-CB 3.77Å; Y186-V197 HydrophobicContact CE1-CG2 4.46Å |
| 187 | K | 90.8 | Very high | 90.3 | Very high | 128 Ų | 128 | 63.2 Ų | 63.2 | 56% | 0.557 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.3 | -21.2 | 178.1 | -75 | -176.6 | 176.2 | -169.8 | 0 | 115 | N183 I185 | N183-K187 WeakPolarHBondContact O-CG 3.33Å; N183-K187 PolarHBondContact O-N 3.44Å; I185-K187 VanDerWaalsContact C-N 3.33Å; I185-K187 PolarHBondContact O-N 3.47Å |
| 188 | R | 89.6 | Confident | 90.3 | Very high | 192 Ų | 192 | 60.1 Ų | 60.1 | 73% | 0.725 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -94.6 | -12.1 | -178.6 | -72.2 | 177 | 179.2 | -170.7 | -1.6 | 113.5 | M184 I185 Y186 | M184-R188 WeakPolarHBondContact O-CG 3.47Å; M184-R188 PolarHBondContact O-N 3.31Å; I185-R188 PolarHBondContact O-N 3.15Å; I185-R188 VanDerWaalsContact O-N 3.07Å; Y186-R188 PolarHBondContact O-N 3.35Å; Y186-R188 VanDerWaalsContact O-N 3.16Å |
| 189 | K | 83.3 | Confident | 90.3 | Very high | 110 Ų | 110 | 64.2 Ų | 64.2 | 48% | 0.478 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -101.2 | 149 | -178.3 | -69.2 | -72.7 | -173.2 | 174.3 | 0 | 108.4 | F150 I185 Y186 V191 | F150-K189 HydrophobicContact CZ-CG 4.24Å; I185-K189 PolarHBondContact O-N 3.49Å; Y186-K189 PolarHBondContact O-N 3.28Å; K189-V191 HydrophobicContact CB-CB 4.42Å; K189-V191 HydrophobicContact CB-CG1 4.13Å; K189-V191 HydrophobicContact CB-CG2 3.65Å; K189-V191 PolarHBondContact O-N 3.19Å |
| 190 | P | 75.8 | Confident | 90.2 | Very high | 141 Ų | 141 | 67.5 Ų | 67.5 | 92% | 0.916 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -73.5 | 35.9 | 174 | 33.6 | -36.6 | 0 | 0 | 0 | 111.9 | ||
| 191 | V | 73.8 | Confident | 90 | Very high | 56 Ų | 56 | 67 Ų | 67 | 34% | 0.339 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -101.2 | 161.9 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 108.5 | M154 Y186 K189 | M154-V191 HydrophobicContact CE-CG1 3.89Å; Y186-V191 HydrophobicContact CD1-CG2 3.72Å; Y186-V191 HydrophobicContact CE1-CG2 4.15Å; K189-V191 HydrophobicContact CB-CB 4.42Å; K189-V191 HydrophobicContact CB-CG1 4.13Å; K189-V191 HydrophobicContact CB-CG2 3.65Å; K189-V191 PolarHBondContact O-N 3.19Å |
| 192 | R | 79.1 | Confident | 89.9 | Confident | 153 Ų | 153 | 64 Ų | 64 | 58% | 0.577 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 146.8 | 173.3 | -62.6 | -176.2 | -153.8 | 179.3 | 4.6 | 110.5 | Y186 V197 | Y186-R192 VanDerWaalsContact CD1-O 3.32Å; Y186-R192 WeakPolarHBondContact CD1-O 3.44Å; R192-V197 HydrophobicContact CB-CG2 3.7Å |
| 193 | Q | 89 | Confident | 89.8 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 41% | 0.407 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 144.3 | 177.9 | -60.2 | -173.4 | 61.9 | 0 | 0 | 110.3 | G195 E196 V197 | Q193-G195 PolarHBondContact O-N 3.49Å; Q193-G195 VanDerWaalsContact O-N 3.16Å; Q193-E196 HydrophobicContact CB-CB 4.42Å; Q193-E196 HydrophobicContact CB-CG 4.05Å; Q193-E196 PolarHBondContact N-OE2 3.02Å; Q193-E196 VanDerWaalsContact N-OE2 3.15Å; Q193-E196 PolarHBondContact NE2-OE1 3.47Å; Q193-E196 WeakPolarHBondContact O-CB 3.5Å; Q193-E196 PolarHBondContact O-N 2.98Å; Q193-V197 WeakPolarHBondContact O-CG2 3.45Å; Q193-V197 PolarHBondContact O-N 3.32Å |
| 194 | L | 92.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.4 | -39 | -177.7 | -179.3 | 59.6 | 0 | 0 | 0 | 112.3 | F179 L182 N183 Y186 V197 L198 Y214 | F179-L194 HydrophobicContact CD1-CD2 4.29Å; F179-L194 HydrophobicContact CE1-CD2 3.62Å; F179-L194 HydrophobicContact CZ-CD2 4.37Å; L182-L194 HydrophobicContact CD2-CD2 3.85Å; L182-L194 HydrophobicContact CG-CD2 4.05Å; N183-L194 HydrophobicContact CB-CD2 4.35Å; Y186-L194 HydrophobicContact CD1-CB 4.09Å; Y186-L194 HydrophobicContact CD2-CB 4Å; Y186-L194 HydrophobicContact CD2-CD1 4.25Å; Y186-L194 HydrophobicContact CD2-CD2 4.32Å; Y186-L194 HydrophobicContact CD2-CG 4.43Å; Y186-L194 HydrophobicContact CE1-CD1 4.41Å; Y186-L194 HydrophobicContact CE2-CD1 3.93Å; Y186-L194 HydrophobicContact CG-CB 3.77Å; L194-V197 WeakPolarHBondContact O-CB 3.46Å; L194-V197 PolarHBondContact O-N 3.05Å; L194-L198 HydrophobicContact CD1-CG 4.47Å; L194-L198 WeakPolarHBondContact O-CG 3.34Å; L194-L198 PolarHBondContact O-N 2.99Å; L194-Y214 HydrophobicContact CB-CE2 4.15Å; L194-Y214 HydrophobicContact CD2-CD2 4.3Å; L194-Y214 HydrophobicContact CD2-CE2 4.32Å; L194-Y214 HydrophobicContact CG-CD2 4.24Å; L194-Y214 HydrophobicContact CG-CE2 4.19Å |
| 195 | G | 93 | Very high | 90 | Very high | 11 Ų | 11 | 71.4 Ų | 71.4 | 11% | 0.113 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.6 | -50.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q193 V197 L198 E199 | Q193-G195 PolarHBondContact O-N 3.49Å; Q193-G195 VanDerWaalsContact O-N 3.16Å; G195-V197 VanDerWaalsContact C-N 3.28Å; G195-V197 PolarHBondContact O-N 2.84Å; G195-L198 PolarHBondContact O-N 3.32Å; G195-L198 VanDerWaalsContact O-N 3.15Å; G195-E199 VanDerWaalsContact O-CG 3.27Å; G195-E199 WeakPolarHBondContact O-CG 3.42Å; G195-E199 PolarHBondContact O-N 2.89Å |
| 196 | E | 92.4 | Very high | 90.1 | Very high | 91 Ų | 91 | 71.4 Ų | 71.4 | 43% | 0.425 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -34.9 | 177.3 | -62.8 | 163.4 | -170.6 | 0 | 0 | 112.6 | Q193 S200 | Q193-E196 HydrophobicContact CB-CB 4.42Å; Q193-E196 HydrophobicContact CB-CG 4.05Å; Q193-E196 PolarHBondContact N-OE2 3.02Å; Q193-E196 VanDerWaalsContact N-OE2 3.15Å; Q193-E196 PolarHBondContact NE2-OE1 3.47Å; Q193-E196 WeakPolarHBondContact O-CB 3.5Å; Q193-E196 PolarHBondContact O-N 2.98Å; E196-S200 VanDerWaalsContact O-CB 3.3Å; E196-S200 WeakPolarHBondContact O-CB 3.47Å; E196-S200 PolarHBondContact O-N 3.49Å; E196-S200 PolarHBondContact O-OG 3.43Å |
| 197 | V | 91.7 | Very high | 90.3 | Very high | 6 Ų | 6 | 72.7 Ų | 72.7 | 4% | 0.036 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63 | -49.1 | 174.3 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | L157 Y186 R192 Q193 L194 G195 S200 R201 | L157-V197 HydrophobicContact CD1-CG1 3.75Å; L157-V197 HydrophobicContact CD1-CG2 4.4Å; L157-V197 HydrophobicContact CD2-CG1 3.49Å; L157-V197 VanDerWaalsContact CD2-CG1 3.49Å; L157-V197 HydrophobicContact CG-CG1 4.24Å; Y186-V197 HydrophobicContact CE1-CG2 4.46Å; R192-V197 HydrophobicContact CB-CG2 3.7Å; Q193-V197 WeakPolarHBondContact O-CG2 3.45Å; Q193-V197 PolarHBondContact O-N 3.32Å; L194-V197 WeakPolarHBondContact O-CB 3.46Å; L194-V197 PolarHBondContact O-N 3.05Å; G195-V197 VanDerWaalsContact C-N 3.28Å; G195-V197 PolarHBondContact O-N 2.84Å; V197-S200 PolarHBondContact O-N 3.49Å; V197-S200 PolarHBondContact O-OG 3.34Å; V197-R201 HydrophobicContact CG1-CG 4.39Å; V197-R201 WeakPolarHBondContact O-CB 3.4Å; V197-R201 WeakPolarHBondContact O-CG 3.44Å; V197-R201 PolarHBondContact O-N 3.22Å |
| 198 | L | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 178.4 | -66.2 | 178.4 | 0 | 0 | 0 | 111.2 | L167 L171 F179 L194 G195 S200 T202 L210 L211 Y214 | L167-L198 HydrophobicContact CD1-CD2 4.33Å; L171-L198 HydrophobicContact CD1-CD2 3.7Å; F179-L198 HydrophobicContact CZ-CD1 4.48Å; L194-L198 HydrophobicContact CD1-CG 4.47Å; L194-L198 WeakPolarHBondContact O-CG 3.34Å; L194-L198 PolarHBondContact O-N 2.99Å; G195-L198 PolarHBondContact O-N 3.32Å; G195-L198 VanDerWaalsContact O-N 3.15Å; L198-S200 PolarHBondContact O-N 3.22Å; L198-T202 WeakPolarHBondContact O-CB 3.42Å; L198-T202 PolarHBondContact O-N 2.88Å; L198-T202 PolarHBondContact O-OG1 3.31Å; L198-L210 HydrophobicContact CD2-CB 4.24Å; L198-L210 HydrophobicContact CD2-CD1 4.29Å; L198-L211 HydrophobicContact CB-CD2 3.91Å; L198-Y214 HydrophobicContact CD1-CD2 4.09Å; L198-Y214 HydrophobicContact CD1-CG 4.19Å |
| 199 | E | 94.7 | Very high | 91 | Very high | 110 Ų | 110 | 61.8 Ų | 61.8 | 51% | 0.514 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 177.2 | -70.4 | -71.6 | 178.1 | 0 | 0 | 112.3 | G195 H207 L211 | G195-E199 VanDerWaalsContact O-CG 3.27Å; G195-E199 WeakPolarHBondContact O-CG 3.42Å; G195-E199 PolarHBondContact O-N 2.89Å; E199-H207 IonicContact OE2-CE1 2.68Å; E199-H207 PolarHBondContact OE2-CE1 3.32Å; E199-H207 VanDerWaalsContact OE2-CE1 3.32Å; E199-H207 IonicContact OE2-NE2 2.65Å; E199-L211 HydrophobicContact CG-CD2 4.07Å; E199-L211 VanDerWaalsContact OE1-CD1 3.25Å; E199-L211 WeakPolarHBondContact OE1-CD1 3.32Å |
| 200 | S | 92.5 | Very high | 91.7 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 49% | 0.49 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -86.8 | -21.4 | -173 | 60.8 | 0 | 0 | 0 | 0 | 115.2 | E196 V197 L198 | E196-S200 VanDerWaalsContact O-CB 3.3Å; E196-S200 WeakPolarHBondContact O-CB 3.47Å; E196-S200 PolarHBondContact O-N 3.49Å; E196-S200 PolarHBondContact O-OG 3.43Å; V197-S200 PolarHBondContact O-N 3.49Å; V197-S200 PolarHBondContact O-OG 3.34Å; L198-S200 PolarHBondContact O-N 3.22Å |
| 201 | R | 92 | Very high | 92.8 | Very high | 66 Ų | 66 | 50.9 Ų | 50.9 | 25% | 0.249 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -112.6 | -0.8 | -171.4 | -59.5 | -63.6 | -62.6 | -87.3 | 3.3 | 114.3 | L157 S159 V163 L167 V197 | L157-R201 HydrophobicContact CD2-CB 4.33Å; L157-R201 HydrophobicContact CD2-CG 3.99Å; L157-R201 VanDerWaalsContact O-CZ 3.28Å; L157-R201 PolarHBondContact O-NH1 2.95Å; L157-R201 PolarHBondContact O-NH2 2.92Å; S159-R201 PolarHBondContact O-NH2 3.11Å; S159-R201 VanDerWaalsContact O-NH2 3.12Å; V163-R201 HydrophobicContact CG1-CB 4.02Å; L167-R201 HydrophobicContact CD1-CB 4.48Å; V197-R201 HydrophobicContact CG1-CG 4.39Å; V197-R201 WeakPolarHBondContact O-CB 3.4Å; V197-R201 WeakPolarHBondContact O-CG 3.44Å; V197-R201 PolarHBondContact O-N 3.22Å |
| 202 | T | 93.6 | Very high | 93.9 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | trans | -128.8 | 149.6 | 179.2 | 73 | 0 | 0 | 0 | 0 | 110.1 | L167 L198 H207 L210 | L167-T202 HydrophobicContact CD1-CG2 3.66Å; L198-T202 WeakPolarHBondContact O-CB 3.42Å; L198-T202 PolarHBondContact O-N 2.88Å; L198-T202 PolarHBondContact O-OG1 3.31Å; T202-H207 PolarHBondContact O-ND1 2.7Å; T202-H207 WeakPolarHBondContact OG1-CA 3.23Å; T202-H207 VanDerWaalsContact OG1-CB 3.26Å; T202-H207 WeakPolarHBondContact OG1-CB 3.49Å; T202-H207 PolarHBondContact OG1-ND1 3.15Å; T202-L210 HydrophobicContact CG2-CD1 3.83Å | ||
| 203 | S | 93.5 | Very high | 94.8 | Very high | 103 Ų | 103 | 41.7 Ų | 41.7 | 72% | 0.72 | 24% | 0.235 | S | C | * | . | trans | -140.7 | 168.6 | 175.8 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | H207 | S203-H207 VanDerWaalsContact C-CB 3.42Å; S203-H207 PolarHBondContact O-N 3.46Å | ||
| 204 | G | 95.9 | Very high | 95.2 | Very high | 50 Ų | 50 | 38.9 Ų | 38.9 | 52% | 0.515 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | 66.1 | -147.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L206 H207 N208 | G204-L206 PolarHBondContact O-N 2.93Å; G204-H207 WeakPolarHBondContact O-CB 3.39Å; G204-H207 PolarHBondContact O-N 3.26Å; G204-N208 PolarHBondContact O-N 3.14Å |
| 205 | Q | 96.6 | Very high | 95.5 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.6 | -37.5 | -173.6 | -71.3 | -177.5 | -15.9 | 0 | 0 | 113.4 | L69 F107 V111 H207 N208 I209 | L69-Q205 HydrophobicContact CD2-CB 3.43Å; L69-Q205 VanDerWaalsContact CD2-CB 3.43Å; L69-Q205 HydrophobicContact CD2-CG 3.55Å; F107-Q205 PolarHBondContact O-OE1 2.93Å; V111-Q205 HydrophobicContact CG2-CB 3.78Å; Q205-H207 VanDerWaalsContact C-N 3.34Å; Q205-H207 PolarHBondContact O-N 3.14Å; Q205-N208 PolarHBondContact O-N 3Å; Q205-I209 WeakPolarHBondContact O-CG1 3.36Å; Q205-I209 PolarHBondContact O-N 2.82Å; Q205-I209 VanDerWaalsContact O-N 3.15Å |
| 206 | L | 95.5 | Very high | 95.7 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 14% | 0.141 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -37.5 | 177.2 | -72.6 | 178.2 | 0 | 0 | 0 | 112.1 | Q165 G204 N208 I209 L210 | Q165-L206 HydrophobicContact CB-CD1 4.18Å; G204-L206 PolarHBondContact O-N 2.93Å; L206-N208 VanDerWaalsContact C-N 3.33Å; L206-N208 PolarHBondContact O-N 2.92Å; L206-I209 PolarHBondContact O-N 3.07Å; L206-L210 WeakPolarHBondContact O-CB 3.31Å; L206-L210 VanDerWaalsContact O-CG 3.28Å; L206-L210 WeakPolarHBondContact O-CG 3.36Å; L206-L210 PolarHBondContact O-N 3.45Å |
| 207 | H | 96.7 | Very high | 95.9 | Very high | 31 Ų | 31 | 38.5 Ų | 38.5 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.1 | -47.9 | 172.7 | 168.2 | 97.5 | 0 | 0 | 0 | 111.5 | E199 T202 S203 G204 Q205 I209 L210 L211 | E199-H207 IonicContact OE2-CE1 2.68Å; E199-H207 PolarHBondContact OE2-CE1 3.32Å; E199-H207 VanDerWaalsContact OE2-CE1 3.32Å; E199-H207 IonicContact OE2-NE2 2.65Å; T202-H207 PolarHBondContact O-ND1 2.7Å; T202-H207 WeakPolarHBondContact OG1-CA 3.23Å; T202-H207 VanDerWaalsContact OG1-CB 3.26Å; T202-H207 WeakPolarHBondContact OG1-CB 3.49Å; T202-H207 PolarHBondContact OG1-ND1 3.15Å; S203-H207 VanDerWaalsContact C-CB 3.42Å; S203-H207 PolarHBondContact O-N 3.46Å; G204-H207 WeakPolarHBondContact O-CB 3.39Å; G204-H207 PolarHBondContact O-N 3.26Å; Q205-H207 VanDerWaalsContact C-N 3.34Å; Q205-H207 PolarHBondContact O-N 3.14Å; H207-I209 VanDerWaalsContact C-N 3.32Å; H207-I209 PolarHBondContact O-N 3.4Å; H207-L210 PolarHBondContact O-N 2.92Å; H207-L211 VanDerWaalsContact CE1-CD1 3.49Å; H207-L211 WeakPolarHBondContact CE1-CD1 3.25Å; H207-L211 WeakPolarHBondContact NE2-CD1 3.49Å; H207-L211 WeakPolarHBondContact O-CG 3.33Å; H207-L211 PolarHBondContact O-N 2.93Å |
| 208 | N | 97.4 | Very high | 96.1 | Very high | 91 Ų | 91 | 40.6 Ų | 40.6 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.6 | -41.7 | 178.7 | -66.5 | -16 | 0 | 0 | 0 | 112.2 | G204 Q205 L206 A212 | G204-N208 PolarHBondContact O-N 3.14Å; Q205-N208 PolarHBondContact O-N 3Å; L206-N208 VanDerWaalsContact C-N 3.33Å; L206-N208 PolarHBondContact O-N 2.92Å; N208-A212 VanDerWaalsContact O-CB 3.3Å; N208-A212 WeakPolarHBondContact O-CB 3.45Å; N208-A212 PolarHBondContact O-N 3.18Å |
| 209 | I | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.3 | -45.8 | 177.7 | -64.1 | 163.4 | 0 | 0 | 0 | 110.8 | L69 T73 V111 T114 L115 I118 Q205 L206 H207 L211 A212 M213 | L69-I209 HydrophobicContact CD1-CD1 4.27Å; L69-I209 HydrophobicContact CD1-CG1 4.42Å; L69-I209 HydrophobicContact CD2-CD1 4.42Å; L69-I209 HydrophobicContact CD2-CG1 4.42Å; T73-I209 HydrophobicContact CG2-CG1 4.33Å; T73-I209 HydrophobicContact CG2-CG2 4.34Å; V111-I209 HydrophobicContact CB-CD1 4.17Å; V111-I209 HydrophobicContact CG1-CD1 3.7Å; V111-I209 HydrophobicContact CG2-CD1 3.9Å; T114-I209 HydrophobicContact CG2-CG2 4.01Å; L115-I209 HydrophobicContact CD2-CD1 4.32Å; L115-I209 HydrophobicContact CD2-CG1 4.33Å; L115-I209 HydrophobicContact CD2-CG2 3.92Å; L115-I209 HydrophobicContact CG-CD1 4.18Å; I118-I209 HydrophobicContact CD1-CG2 3.95Å; Q205-I209 WeakPolarHBondContact O-CG1 3.36Å; Q205-I209 PolarHBondContact O-N 2.82Å; Q205-I209 VanDerWaalsContact O-N 3.15Å; L206-I209 PolarHBondContact O-N 3.07Å; H207-I209 VanDerWaalsContact C-N 3.32Å; H207-I209 PolarHBondContact O-N 3.4Å; I209-L211 PolarHBondContact O-N 2.61Å; I209-A212 WeakPolarHBondContact O-CB 3.31Å; I209-A212 PolarHBondContact O-N 3.15Å; I209-M213 HydrophobicContact CG2-SD 4.33Å; I209-M213 VanDerWaalsContact O-CG 3.31Å; I209-M213 WeakPolarHBondContact O-CG 3.26Å; I209-M213 PolarHBondContact O-N 2.95Å |
| 210 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | -179.2 | -73.9 | 175.3 | 0 | 0 | 0 | 112.4 | L167 L171 L198 T202 L206 H207 M213 Y214 | L167-L210 HydrophobicContact CB-CD1 4.19Å; L171-L210 HydrophobicContact CB-CD2 4.12Å; L171-L210 HydrophobicContact CD1-CD2 3.79Å; L198-L210 HydrophobicContact CD2-CB 4.24Å; L198-L210 HydrophobicContact CD2-CD1 4.29Å; T202-L210 HydrophobicContact CG2-CD1 3.83Å; L206-L210 WeakPolarHBondContact O-CB 3.31Å; L206-L210 VanDerWaalsContact O-CG 3.28Å; L206-L210 WeakPolarHBondContact O-CG 3.36Å; L206-L210 PolarHBondContact O-N 3.45Å; H207-L210 PolarHBondContact O-N 2.92Å; L210-M213 HydrophobicContact CD2-SD 4.03Å; L210-M213 PolarHBondContact O-N 2.99Å; L210-Y214 WeakPolarHBondContact O-CB 3.46Å; L210-Y214 PolarHBondContact O-N 3.19Å |
| 211 | L | 97.8 | Very high | 96.5 | Very high | 21 Ų | 21 | 38.1 Ų | 38.1 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.8 | -36.8 | 172.7 | -72.1 | -175.7 | 0 | 0 | 0 | 112.2 | L198 E199 H207 I209 Y214 N215 | L198-L211 HydrophobicContact CB-CD2 3.91Å; E199-L211 HydrophobicContact CG-CD2 4.07Å; E199-L211 VanDerWaalsContact OE1-CD1 3.25Å; E199-L211 WeakPolarHBondContact OE1-CD1 3.32Å; H207-L211 VanDerWaalsContact CE1-CD1 3.49Å; H207-L211 WeakPolarHBondContact CE1-CD1 3.25Å; H207-L211 WeakPolarHBondContact NE2-CD1 3.49Å; H207-L211 WeakPolarHBondContact O-CG 3.33Å; H207-L211 PolarHBondContact O-N 2.93Å; I209-L211 PolarHBondContact O-N 2.61Å; L211-Y214 PolarHBondContact O-N 3.28Å; L211-N215 WeakPolarHBondContact O-CB 3.4Å; L211-N215 PolarHBondContact O-N 3.43Å; L211-N215 PolarHBondContact O-ND2 3.07Å |
| 212 | A | 98.3 | Very high | 96.8 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T73 I77 N208 I209 Y214 N215 Y216 Y223 | T73-A212 HydrophobicContact CG2-CB 3.81Å; I77-A212 HydrophobicContact CD1-CB 4.1Å; N208-A212 VanDerWaalsContact O-CB 3.3Å; N208-A212 WeakPolarHBondContact O-CB 3.45Å; N208-A212 PolarHBondContact O-N 3.18Å; I209-A212 WeakPolarHBondContact O-CB 3.31Å; I209-A212 PolarHBondContact O-N 3.15Å; A212-Y214 PolarHBondContact O-N 2.85Å; A212-N215 PolarHBondContact O-N 3.03Å; A212-Y216 WeakPolarHBondContact O-CB 3.39Å; A212-Y216 PolarHBondContact O-N 3.33Å; A212-Y223 HydrophobicContact CB-CE2 4.03Å |
| 213 | M | 97.7 | Very high | 97 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.6 | -48.5 | 173.4 | -68.9 | 172.3 | 70.7 | 0 | 0 | 111.9 | I118 L171 F179 I209 L210 S217 | I118-M213 HydrophobicContact CD1-CE 4.03Å; I118-M213 HydrophobicContact CD1-CG 3.73Å; I118-M213 HydrophobicContact CD1-SD 3.33Å; I118-M213 WeakPolarHBondContact CD1-SD 3.49Å; I118-M213 HydrophobicContact CG1-CE 3.85Å; I118-M213 HydrophobicContact CG1-CG 4.49Å; I118-M213 HydrophobicContact CG1-SD 3.84Å; L171-M213 HydrophobicContact CB-CE 4.35Å; L171-M213 WeakPolarHBondContact O-CE 3.3Å; F179-M213 HydrophobicContact CD2-CE 4.27Å; F179-M213 HydrophobicContact CE2-CB 4.15Å; F179-M213 HydrophobicContact CE2-CE 3.93Å; I209-M213 HydrophobicContact CG2-SD 4.33Å; I209-M213 VanDerWaalsContact O-CG 3.31Å; I209-M213 WeakPolarHBondContact O-CG 3.26Å; I209-M213 PolarHBondContact O-N 2.95Å; L210-M213 HydrophobicContact CD2-SD 4.03Å; L210-M213 PolarHBondContact O-N 2.99Å; M213-S217 VanDerWaalsContact O-CB 3.32Å; M213-S217 WeakPolarHBondContact O-CB 3.27Å; M213-S217 PolarHBondContact O-N 3.11Å; M213-S217 PolarHBondContact O-OG 3.16Å; M213-S217 VanDerWaalsContact O-OG 3.07Å |
| 214 | Y | 98 | Very high | 97.3 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 11% | 0.114 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.5 | -56.6 | 178.3 | 178.4 | -92.6 | 0 | 0 | 0 | 111.1 | F179 N183 L194 L198 L210 L211 A212 Y216 S217 I218 | F179-Y214 AromaticContact CE1-CD2 3.86Å; F179-Y214 HydrophobicContact CE1-CD2 3.86Å; N183-Y214 WeakPolarHBondContact OD1-CE2 3.32Å; N183-Y214 PolarHBondContact OD1-OH 2.87Å; N183-Y214 VanDerWaalsContact OD1-OH 3.11Å; L194-Y214 HydrophobicContact CB-CE2 4.15Å; L194-Y214 HydrophobicContact CD2-CD2 4.3Å; L194-Y214 HydrophobicContact CD2-CE2 4.32Å; L194-Y214 HydrophobicContact CG-CD2 4.24Å; L194-Y214 HydrophobicContact CG-CE2 4.19Å; L198-Y214 HydrophobicContact CD1-CD2 4.09Å; L198-Y214 HydrophobicContact CD1-CG 4.19Å; L210-Y214 WeakPolarHBondContact O-CB 3.46Å; L210-Y214 PolarHBondContact O-N 3.19Å; L211-Y214 PolarHBondContact O-N 3.28Å; A212-Y214 PolarHBondContact O-N 2.85Å; Y214-Y216 VanDerWaalsContact C-N 3.35Å; Y214-Y216 PolarHBondContact O-N 3.36Å; Y214-S217 PolarHBondContact O-N 3.47Å; Y214-I218 HydrophobicContact CD1-CG1 4.27Å; Y214-I218 HydrophobicContact CD2-CG1 4.17Å; Y214-I218 HydrophobicContact CE1-CG1 3.95Å; Y214-I218 HydrophobicContact CE2-CD1 4.39Å; Y214-I218 HydrophobicContact CE2-CG1 3.82Å; Y214-I218 HydrophobicContact CG-CG1 4.35Å; Y214-I218 VanDerWaalsContact O-CG1 3.27Å; Y214-I218 WeakPolarHBondContact O-CG1 3.29Å; Y214-I218 PolarHBondContact O-N 3.31Å |
| 215 | N | 98 | Very high | 97.4 | Very high | 73 Ų | 73 | 30.1 Ų | 30.1 | 39% | 0.39 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.4 | -41.4 | -175.5 | -73.2 | -46.5 | 0 | 0 | 0 | 112 | L211 A212 N219 Y223 | L211-N215 WeakPolarHBondContact O-CB 3.4Å; L211-N215 PolarHBondContact O-N 3.43Å; L211-N215 PolarHBondContact O-ND2 3.07Å; A212-N215 PolarHBondContact O-N 3.03Å; N215-N219 CarbonylContact O-C 3.38Å; N215-N219 PolarHBondContact O-N 3.38Å; N215-Y223 HydrophobicContact CB-CD2 3.79Å; N215-Y223 HydrophobicContact CB-CG 4.37Å |
| 216 | Y | 97.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.4 | -49.1 | 173.8 | 177.2 | -84.7 | 0 | 0 | 0 | 111.2 | I77 D78 R122 P176 A212 Y214 K220 Y223 F224 | I77-Y216 HydrophobicContact CD1-CD2 4.03Å; I77-Y216 HydrophobicContact CD1-CG 3.96Å; I77-Y216 HydrophobicContact CG1-CD2 4.14Å; I77-Y216 HydrophobicContact CG1-CG 4.37Å; D78-Y216 HydrophobicContact CB-CE2 4.4Å; D78-Y216 WeakPolarHBondContact OD1-CE2 3.42Å; D78-Y216 PolarHBondContact OD1-OH 2.81Å; D78-Y216 VanDerWaalsContact OD1-OH 3.13Å; R122-Y216 PolarHBondContact NH1-OH 3.45Å; P176-Y216 HydrophobicContact CB-CD1 4.46Å; P176-Y216 HydrophobicContact CB-CE1 4.17Å; P176-Y216 HydrophobicContact CG-CD1 4.15Å; P176-Y216 HydrophobicContact CG-CE1 3.65Å; A212-Y216 WeakPolarHBondContact O-CB 3.39Å; A212-Y216 PolarHBondContact O-N 3.33Å; Y214-Y216 VanDerWaalsContact C-N 3.35Å; Y214-Y216 PolarHBondContact O-N 3.36Å; Y216-K220 HydrophobicContact CD2-CD 4.47Å; Y216-K220 HydrophobicContact CD2-CG 4.09Å; Y216-K220 HydrophobicContact CE1-CD 4.43Å; Y216-K220 HydrophobicContact CE2-CD 3.73Å; Y216-K220 HydrophobicContact CE2-CG 3.79Å; Y216-K220 VanDerWaalsContact O-CA 3.26Å; Y216-K220 WeakPolarHBondContact O-CA 3.41Å; Y216-K220 WeakPolarHBondContact O-CB 3.28Å; Y216-K220 PolarHBondContact O-N 2.66Å; Y216-K220 WeakPolarHBondContact OH-CE 3.4Å; Y216-K220 PolarHBondContact OH-NZ 2.9Å; Y216-Y223 AromaticContact CD2-CD1 3.91Å; Y216-Y223 HydrophobicContact CD2-CD1 3.91Å; Y216-Y223 HydrophobicContact CD2-CE1 4.07Å; Y216-Y223 HydrophobicContact CG-CD1 4.46Å; Y216-F224 HydrophobicContact CD2-CE2 4.4Å; Y216-F224 HydrophobicContact CD2-CZ 4.31Å; Y216-F224 HydrophobicContact CE2-CE2 4.08Å; Y216-F224 HydrophobicContact CE2-CZ 4.06Å |
| 217 | S | 96.4 | Very high | 97.6 | Very high | 14 Ų | 14 | 27.2 Ų | 27.2 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.9 | -30.4 | -176.8 | -65.9 | 0 | 0 | 0 | 0 | 113.9 | P176 M213 Y214 | P176-S217 VanDerWaalsContact CA-OG 3.29Å; P176-S217 WeakPolarHBondContact CA-OG 3.27Å; P176-S217 WeakPolarHBondContact CB-OG 3.5Å; M213-S217 VanDerWaalsContact O-CB 3.32Å; M213-S217 WeakPolarHBondContact O-CB 3.27Å; M213-S217 PolarHBondContact O-N 3.11Å; M213-S217 PolarHBondContact O-OG 3.16Å; M213-S217 VanDerWaalsContact O-OG 3.07Å; Y214-S217 PolarHBondContact O-N 3.47Å |
| 218 | I | 95.5 | Very high | 97.7 | Very high | 50 Ų | 50 | 25.9 Ų | 25.9 | 26% | 0.256 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -82.7 | -41.5 | -179.4 | -60.7 | -35.9 | 0 | 0 | 0 | 111.8 | Q180 N183 Y214 | Q180-I218 HydrophobicContact CG-CD1 4.41Å; N183-I218 HydrophobicContact CB-CD1 3.55Å; N183-I218 VanDerWaalsContact ND2-CD1 3.28Å; N183-I218 WeakPolarHBondContact ND2-CD1 3.33Å; Y214-I218 HydrophobicContact CD1-CG1 4.27Å; Y214-I218 HydrophobicContact CD2-CG1 4.17Å; Y214-I218 HydrophobicContact CE1-CG1 3.95Å; Y214-I218 HydrophobicContact CE2-CD1 4.39Å; Y214-I218 HydrophobicContact CE2-CG1 3.82Å; Y214-I218 HydrophobicContact CG-CG1 4.35Å; Y214-I218 VanDerWaalsContact O-CG1 3.27Å; Y214-I218 WeakPolarHBondContact O-CG1 3.29Å; Y214-I218 PolarHBondContact O-N 3.31Å |
| 219 | N | 96.2 | Very high | 97.7 | Very high | 52 Ų | 52 | 23.1 Ų | 23.1 | 28% | 0.278 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -154.7 | 75.4 | -178 | -170 | -13.7 | 0 | 0 | 0 | 110.7 | N215 M222 Y223 | N215-N219 CarbonylContact O-C 3.38Å; N215-N219 PolarHBondContact O-N 3.38Å; N219-M222 HydrophobicContact CB-CB 3.92Å; N219-M222 VanDerWaalsContact ND2-CB 3.34Å; N219-M222 WeakPolarHBondContact ND2-CB 3.37Å; N219-M222 WeakPolarHBondContact O-CA 3.4Å; N219-M222 WeakPolarHBondContact O-CB 3.42Å; N219-M222 PolarHBondContact O-N 3.07Å; N219-M222 WeakPolarHBondContact OD1-CB 3.33Å; N219-M222 PolarHBondContact OD1-N 2.9Å; N219-Y223 PolarHBondContact O-N 2.91Å |
| 220 | K | 96.8 | Very high | 97.7 | Very high | 52 Ų | 52 | 25.6 Ų | 25.6 | 23% | 0.226 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -45.6 | -50 | -179.6 | 178.4 | 175.8 | -175.9 | 169 | 0 | 113.8 | D78 Y216 M222 Y223 F224 R249 | D78-K220 WeakPolarHBondContact OD1-CE 3.43Å; D78-K220 IonicContact OD1-NZ 3.88Å; D78-K220 PolarHBondContact OD1-NZ 3.47Å; Y216-K220 HydrophobicContact CD2-CD 4.47Å; Y216-K220 HydrophobicContact CD2-CG 4.09Å; Y216-K220 HydrophobicContact CE1-CD 4.43Å; Y216-K220 HydrophobicContact CE2-CD 3.73Å; Y216-K220 HydrophobicContact CE2-CG 3.79Å; Y216-K220 VanDerWaalsContact O-CA 3.26Å; Y216-K220 WeakPolarHBondContact O-CA 3.41Å; Y216-K220 WeakPolarHBondContact O-CB 3.28Å; Y216-K220 PolarHBondContact O-N 2.66Å; Y216-K220 WeakPolarHBondContact OH-CE 3.4Å; Y216-K220 PolarHBondContact OH-NZ 2.9Å; K220-M222 VanDerWaalsContact C-N 3.32Å; K220-M222 PolarHBondContact O-N 2.82Å; K220-Y223 WeakPolarHBondContact O-CB 3.43Å; K220-Y223 PolarHBondContact O-N 3.43Å; K220-F224 HydrophobicContact CD-CE2 4.28Å; K220-F224 HydrophobicContact CG-CD2 3.88Å; K220-F224 HydrophobicContact CG-CE2 3.68Å; K220-F224 WeakPolarHBondContact O-CD2 3.46Å; K220-F224 PolarHBondContact O-N 3.18Å; K220-F224 VanDerWaalsContact O-N 3.11Å; K220-R249 VanDerWaalsContact CE-NH2 3.29Å |
| 221 | P | 97.3 | Very high | 97.6 | Very high | 24 Ų | 24 | 26.5 Ų | 26.5 | 16% | 0.156 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.6 | -31.1 | 179.4 | -21.5 | 34.2 | 0 | 0 | 0 | 113.7 | A225 T256 I257 K260 | P221-A225 WeakPolarHBondContact O-CB 3.27Å; P221-A225 PolarHBondContact O-N 2.97Å; P221-T256 HydrophobicContact CB-CG2 3.79Å; P221-T256 HydrophobicContact CG-CG2 3.72Å; P221-I257 HydrophobicContact CB-CG1 3.97Å; P221-K260 HydrophobicContact CB-CG 3.82Å |
| 222 | M | 98.2 | Very high | 97.6 | Very high | 40 Ų | 40 | 25.8 Ų | 25.8 | 20% | 0.197 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -73.1 | -37.5 | 175.6 | -175.7 | 63.4 | 79.4 | 0 | 0 | 112.5 | N219 K220 F224 A225 T226 K260 K264 | N219-M222 HydrophobicContact CB-CB 3.92Å; N219-M222 VanDerWaalsContact ND2-CB 3.34Å; N219-M222 WeakPolarHBondContact ND2-CB 3.37Å; N219-M222 WeakPolarHBondContact O-CA 3.4Å; N219-M222 WeakPolarHBondContact O-CB 3.42Å; N219-M222 PolarHBondContact O-N 3.07Å; N219-M222 WeakPolarHBondContact OD1-CB 3.33Å; N219-M222 PolarHBondContact OD1-N 2.9Å; K220-M222 VanDerWaalsContact C-N 3.32Å; K220-M222 PolarHBondContact O-N 2.82Å; M222-F224 VanDerWaalsContact C-N 3.32Å; M222-A225 PolarHBondContact O-N 3.44Å; M222-T226 PolarHBondContact O-N 3.03Å; M222-T226 PolarHBondContact O-OG1 2.75Å; M222-K260 HydrophobicContact CB-CB 4.43Å; M222-K260 HydrophobicContact CB-CG 4.48Å; M222-K260 HydrophobicContact CE-CB 4Å; M222-K260 HydrophobicContact CE-CD 4.13Å; M222-K260 HydrophobicContact CE-CG 4.44Å; M222-K260 HydrophobicContact SD-CB 4.18Å; M222-K264 HydrophobicContact CE-CB 3.98Å; M222-K264 HydrophobicContact CG-CD 4.43Å; M222-K264 HydrophobicContact SD-CB 3.66Å; M222-K264 HydrophobicContact SD-CD 3.49Å; M222-K264 WeakPolarHBondContact SD-CD 3.42Å; M222-K264 HydrophobicContact SD-CG 4.15Å |
| 223 | Y | 98.5 | Very high | 97.5 | Very high | 17 Ų | 17 | 29.6 Ų | 29.6 | 7% | 0.067 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.9 | -49.3 | 172.7 | 168 | -108.6 | 0 | 0 | 0 | 110.4 | I77 A212 N215 Y216 N219 K220 T226 L227 | I77-Y223 HydrophobicContact CD1-CE1 3.97Å; A212-Y223 HydrophobicContact CB-CE2 4.03Å; N215-Y223 HydrophobicContact CB-CD2 3.79Å; N215-Y223 HydrophobicContact CB-CG 4.37Å; Y216-Y223 AromaticContact CD2-CD1 3.91Å; Y216-Y223 HydrophobicContact CD2-CD1 3.91Å; Y216-Y223 HydrophobicContact CD2-CE1 4.07Å; Y216-Y223 HydrophobicContact CG-CD1 4.46Å; N219-Y223 PolarHBondContact O-N 2.91Å; K220-Y223 WeakPolarHBondContact O-CB 3.43Å; K220-Y223 PolarHBondContact O-N 3.43Å; Y223-T226 WeakPolarHBondContact O-CB 3.2Å; Y223-T226 PolarHBondContact O-N 3.45Å; Y223-T226 VanDerWaalsContact O-N 3.16Å; Y223-L227 HydrophobicContact CD1-CD1 3.98Å; Y223-L227 HydrophobicContact CE1-CD1 3.41Å; Y223-L227 VanDerWaalsContact CE1-CD1 3.41Å; Y223-L227 HydrophobicContact CE1-CG 4.43Å; Y223-L227 HydrophobicContact CE2-CD1 4.06Å; Y223-L227 HydrophobicContact CE2-CG 4.29Å; Y223-L227 VanDerWaalsContact CZ-CD1 3.47Å; Y223-L227 PolarHBondContact O-N 3.04Å |
| 224 | F | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66 | -39.6 | 176.5 | -78.3 | -46.1 | 0 | 0 | 0 | 113.8 | D78 Y216 K220 M222 T226 L227 I228 F245 R249 I257 | D78-F224 HydrophobicContact CB-CZ 4.23Å; Y216-F224 HydrophobicContact CD2-CE2 4.4Å; Y216-F224 HydrophobicContact CD2-CZ 4.31Å; Y216-F224 HydrophobicContact CE2-CE2 4.08Å; Y216-F224 HydrophobicContact CE2-CZ 4.06Å; K220-F224 HydrophobicContact CD-CE2 4.28Å; K220-F224 HydrophobicContact CG-CD2 3.88Å; K220-F224 HydrophobicContact CG-CE2 3.68Å; K220-F224 WeakPolarHBondContact O-CD2 3.46Å; K220-F224 PolarHBondContact O-N 3.18Å; K220-F224 VanDerWaalsContact O-N 3.11Å; M222-F224 VanDerWaalsContact C-N 3.32Å; F224-T226 PolarHBondContact O-N 3.48Å; F224-L227 HydrophobicContact CD1-CD1 3.7Å; F224-L227 HydrophobicContact CE1-CD1 4.07Å; F224-L227 PolarHBondContact O-N 3.37Å; F224-I228 WeakPolarHBondContact O-CG2 3.43Å; F224-I228 PolarHBondContact O-N 3.33Å; F224-F245 HydrophobicContact CB-CE2 4.35Å; F224-F245 HydrophobicContact CB-CZ 3.69Å; F224-F245 AromaticContact CD1-CE2 3.58Å; F224-F245 HydrophobicContact CD1-CE2 3.58Å; F224-F245 AromaticContact CD1-CZ 3.82Å; F224-F245 HydrophobicContact CD1-CZ 3.82Å; F224-F245 HydrophobicContact CE1-CE2 4.3Å; F224-F245 HydrophobicContact CG-CE2 4.29Å; F224-F245 HydrophobicContact CG-CZ 4.06Å; F224-F245 WeakPolarHBondContact O-CZ 3.49Å; F224-R249 VanDerWaalsContact CE2-CZ 3.47Å; F224-I257 HydrophobicContact CB-CD1 3.61Å; F224-I257 HydrophobicContact CB-CG1 4.01Å; F224-I257 HydrophobicContact CD2-CD1 4.24Å; F224-I257 HydrophobicContact CG-CD1 4.22Å |
| 225 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.3 | -35.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P221 M222 I228 H229 I257 K260 Y261 | P221-A225 WeakPolarHBondContact O-CB 3.27Å; P221-A225 PolarHBondContact O-N 2.97Å; M222-A225 PolarHBondContact O-N 3.44Å; A225-I228 WeakPolarHBondContact O-CG2 3.24Å; A225-H229 VanDerWaalsContact O-CB 3.25Å; A225-H229 WeakPolarHBondContact O-CB 3.09Å; A225-H229 PolarHBondContact O-N 2.97Å; A225-I257 HydrophobicContact CB-CG2 4.06Å; A225-K260 HydrophobicContact CB-CB 4.28Å; A225-Y261 HydrophobicContact CB-CD2 4.13Å; A225-Y261 WeakPolarHBondContact O-CD2 3.24Å |
| 226 | T | 98.5 | Very high | 97.2 | Very high | 28 Ų | 28 | 45.4 Ų | 45.4 | 17% | 0.172 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.8 | -41.6 | 176.9 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | M222 Y223 F224 H229 D230 K264 Y265 | M222-T226 PolarHBondContact O-N 3.03Å; M222-T226 PolarHBondContact O-OG1 2.75Å; Y223-T226 WeakPolarHBondContact O-CB 3.2Å; Y223-T226 PolarHBondContact O-N 3.45Å; Y223-T226 VanDerWaalsContact O-N 3.16Å; F224-T226 PolarHBondContact O-N 3.48Å; T226-H229 PolarHBondContact O-N 3.11Å; T226-D230 PolarHBondContact O-N 3.44Å; T226-D230 VanDerWaalsContact O-N 3.09Å; T226-K264 PolarHBondContact OG1-NZ 2.81Å; T226-Y265 WeakPolarHBondContact CA-OH 3.38Å |
| 227 | L | 98.1 | Very high | 97.1 | Very high | 20 Ų | 20 | 47.3 Ų | 47.3 | 11% | 0.105 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 176 | -72.1 | 169.4 | 0 | 0 | 0 | 112.1 | R70 Y223 F224 D230 E231 F245 | R70-L227 HydrophobicContact CG-CD2 3.92Å; Y223-L227 HydrophobicContact CD1-CD1 3.98Å; Y223-L227 HydrophobicContact CE1-CD1 3.41Å; Y223-L227 VanDerWaalsContact CE1-CD1 3.41Å; Y223-L227 HydrophobicContact CE1-CG 4.43Å; Y223-L227 HydrophobicContact CE2-CD1 4.06Å; Y223-L227 HydrophobicContact CE2-CG 4.29Å; Y223-L227 VanDerWaalsContact CZ-CD1 3.47Å; Y223-L227 PolarHBondContact O-N 3.04Å; F224-L227 HydrophobicContact CD1-CD1 3.7Å; F224-L227 HydrophobicContact CE1-CD1 4.07Å; F224-L227 PolarHBondContact O-N 3.37Å; L227-D230 PolarHBondContact O-N 3.37Å; L227-E231 PolarHBondContact O-N 3.37Å; L227-E231 VanDerWaalsContact O-N 3.17Å; L227-F245 HydrophobicContact CB-CE2 4.37Å |
| 228 | I | 97.6 | Very high | 97 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.5 | -33 | -178.1 | -161.7 | 62.8 | 0 | 0 | 0 | 112 | F224 A225 E231 L232 V242 F245 Y261 L269 | F224-I228 WeakPolarHBondContact O-CG2 3.43Å; F224-I228 PolarHBondContact O-N 3.33Å; A225-I228 WeakPolarHBondContact O-CG2 3.24Å; I228-E231 PolarHBondContact O-N 3.37Å; I228-L232 HydrophobicContact CG1-CD1 4.16Å; I228-L232 HydrophobicContact CG1-CG 4.47Å; I228-L232 WeakPolarHBondContact O-CB 3.38Å; I228-L232 WeakPolarHBondContact O-CG 3.5Å; I228-L232 PolarHBondContact O-N 2.92Å; I228-V242 HydrophobicContact CD1-CB 4.19Å; I228-V242 HydrophobicContact CD1-CG1 3.91Å; I228-V242 HydrophobicContact CD1-CG2 4.06Å; I228-F245 HydrophobicContact CB-CD1 4.14Å; I228-F245 HydrophobicContact CB-CE1 3.73Å; I228-F245 HydrophobicContact CB-CZ 4.03Å; I228-F245 HydrophobicContact CD1-CB 4.15Å; I228-F245 HydrophobicContact CD1-CD1 3.59Å; I228-F245 HydrophobicContact CD1-CE1 4.1Å; I228-F245 HydrophobicContact CD1-CG 3.91Å; I228-F245 HydrophobicContact CG1-CD1 3.97Å; I228-F245 HydrophobicContact CG1-CE1 4.02Å; I228-F245 HydrophobicContact CG2-CE1 4.24Å; I228-Y261 HydrophobicContact CG2-CD2 3.83Å; I228-Y261 HydrophobicContact CG2-CE2 3.82Å; I228-L269 HydrophobicContact CG1-CD1 4.07Å; I228-L269 HydrophobicContact CG2-CD1 3.88Å; I228-L269 HydrophobicContact CG2-CD2 3.99Å |
| 229 | H | 98.3 | Very high | 97 | Very high | 33 Ų | 33 | 48.9 Ų | 48.9 | 15% | 0.153 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -51 | 172.8 | 173.2 | -82.8 | 0 | 0 | 0 | 111 | A225 T226 E231 L232 H233 Y261 Y265 | A225-H229 VanDerWaalsContact O-CB 3.25Å; A225-H229 WeakPolarHBondContact O-CB 3.09Å; A225-H229 PolarHBondContact O-N 2.97Å; T226-H229 PolarHBondContact O-N 3.11Å; H229-E231 VanDerWaalsContact C-N 3.27Å; H229-E231 PolarHBondContact O-N 3.45Å; H229-L232 PolarHBondContact O-N 3.4Å; H229-H233 AromaticContact CD2-CE1 3.52Å; H229-H233 AromaticContact CD2-ND1 3.69Å; H229-H233 AromaticContact CE1-CE1 3.95Å; H229-H233 AromaticContact CE1-CG 3.99Å; H229-H233 AromaticContact CE1-ND1 3.68Å; H229-H233 AromaticContact CG-ND1 3.91Å; H229-H233 AromaticContact ND1-ND1 3.94Å; H229-H233 AromaticContact NE2-CE1 3.38Å; H229-H233 PolarHBondContact NE2-CE1 2.98Å; H229-H233 AromaticContact NE2-ND1 3.57Å; H229-H233 AromaticContact NE2-NE2 3.83Å; H229-H233 PolarHBondContact O-N 3.27Å; H229-H233 VanDerWaalsContact O-N 3.14Å; H229-H233 PolarHBondContact O-ND1 3.46Å; H229-Y261 HydrophobicContact CB-CD2 4.38Å; H229-Y261 HydrophobicContact CB-CE2 3.5Å; H229-Y261 VanDerWaalsContact CB-CE2 3.5Å; H229-Y261 AromaticContact CD2-CZ 3.74Å; H229-Y261 PolarHBondContact CD2-OH 3.37Å; H229-Y261 VanDerWaalsContact CD2-OH 3.23Å; H229-Y265 HydrophobicContact CB-CD2 4.1Å; H229-Y265 HydrophobicContact CB-CE1 4.27Å; H229-Y265 HydrophobicContact CB-CE2 3.47Å; H229-Y265 VanDerWaalsContact CB-CE2 3.47Å; H229-Y265 AromaticContact CD2-CD1 3.32Å; H229-Y265 WeakPolarHBondContact CD2-CD1 3.47Å; H229-Y265 AromaticContact CD2-CD2 3.61Å; H229-Y265 AromaticContact CD2-CE1 3.38Å; H229-Y265 WeakPolarHBondContact CD2-CE1 3.39Å; H229-Y265 AromaticContact CD2-CE2 3.7Å; H229-Y265 AromaticContact CD2-CG 3.43Å; H229-Y265 VanDerWaalsContact CD2-CG 3.43Å; H229-Y265 AromaticContact CD2-CZ 3.57Å; H229-Y265 AromaticContact CE1-CE1 3.66Å; H229-Y265 AromaticContact CG-CD1 3.96Å; H229-Y265 AromaticContact CG-CE1 3.52Å; H229-Y265 AromaticContact CG-CE2 3.6Å; H229-Y265 AromaticContact CG-CZ 3.32Å; H229-Y265 AromaticContact ND1-CE1 3.67Å; H229-Y265 AromaticContact ND1-CZ 3.73Å; H229-Y265 AromaticContact NE2-CD1 3.36Å; H229-Y265 WeakPolarHBondContact NE2-CD1 3.42Å; H229-Y265 AromaticContact NE2-CE1 3.46Å; H229-Y265 WeakPolarHBondContact NE2-CE1 3.4Å; H229-Y265 AromaticContact NE2-CG 3.92Å |
| 230 | D | 97.7 | Very high | 97 | Very high | 53 Ų | 53 | 48.2 Ų | 48.2 | 28% | 0.283 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.9 | -33.9 | -175.5 | -63.6 | -9.2 | 0 | 0 | 0 | 111.5 | R70 T226 L227 H233 K234 | R70-D230 IonicContact CZ-OD2 3.76Å; R70-D230 IonicContact NH1-OD2 3.45Å; R70-D230 PolarHBondContact NH1-OD2 3.1Å; R70-D230 IonicContact NH2-OD2 3.32Å; R70-D230 PolarHBondContact NH2-OD2 3.23Å; T226-D230 PolarHBondContact O-N 3.44Å; T226-D230 VanDerWaalsContact O-N 3.09Å; L227-D230 PolarHBondContact O-N 3.37Å; D230-H233 PolarHBondContact O-N 3.38Å; D230-K234 WeakPolarHBondContact O-CG 3.47Å; D230-K234 PolarHBondContact O-N 3.28Å |
| 231 | E | 96.9 | Very high | 97 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 9% | 0.089 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -45.8 | 174 | -167.6 | 59.3 | -128.5 | 0 | 0 | 112.4 | R71 L227 I228 H229 H233 K234 D238 V242 | R71-E231 IonicContact NH1-OE2 3.87Å; L227-E231 PolarHBondContact O-N 3.37Å; L227-E231 VanDerWaalsContact O-N 3.17Å; I228-E231 PolarHBondContact O-N 3.37Å; H229-E231 VanDerWaalsContact C-N 3.27Å; H229-E231 PolarHBondContact O-N 3.45Å; E231-H233 PolarHBondContact O-N 2.86Å; E231-K234 VanDerWaalsContact CD-NZ 3.32Å; E231-K234 PolarHBondContact O-N 2.62Å; E231-K234 WeakPolarHBondContact OE1-CD 3.39Å; E231-K234 IonicContact OE1-NZ 2.65Å; E231-K234 PolarHBondContact OE1-NZ 3.24Å; E231-K234 WeakPolarHBondContact OE2-CE 3.46Å; E231-K234 IonicContact OE2-NZ 3.92Å; E231-K234 PolarHBondContact OE2-NZ 3.1Å; E231-D238 HydrophobicContact CG-CB 4.5Å; E231-D238 WeakPolarHBondContact OE1-CB 3.4Å; E231-D238 PolarHBondContact OE1-N 3.06Å; E231-V242 HydrophobicContact CB-CG2 4.13Å; E231-V242 HydrophobicContact CG-CG2 3.43Å; E231-V242 VanDerWaalsContact CG-CG2 3.43Å |
| 232 | L | 97.4 | Very high | 97 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -17.6 | 179.7 | -71.8 | 173.9 | 0 | 0 | 0 | 113.5 | I228 H229 I237 V242 L269 E272 V273 I276 Y277 | I228-L232 HydrophobicContact CG1-CD1 4.16Å; I228-L232 HydrophobicContact CG1-CG 4.47Å; I228-L232 WeakPolarHBondContact O-CB 3.38Å; I228-L232 WeakPolarHBondContact O-CG 3.5Å; I228-L232 PolarHBondContact O-N 2.92Å; H229-L232 PolarHBondContact O-N 3.4Å; L232-I237 WeakPolarHBondContact O-CD1 3.47Å; L232-V242 HydrophobicContact CD2-CG1 3.86Å; L232-V242 HydrophobicContact CD2-CG2 4Å; L232-L269 HydrophobicContact CD1-CD1 3.65Å; L232-E272 HydrophobicContact CD1-CG 4.05Å; L232-V273 HydrophobicContact CD1-CG2 4.37Å; L232-I276 HydrophobicContact CB-CD1 3.6Å; L232-I276 HydrophobicContact CD1-CD1 4.46Å; L232-I276 HydrophobicContact CD2-CD1 3.7Å; L232-I276 HydrophobicContact CG-CD1 4.09Å; L232-I276 WeakPolarHBondContact O-CD1 3.39Å; L232-Y277 HydrophobicContact CD2-CE2 3.94Å |
| 233 | H | 96.8 | Very high | 96.9 | Very high | 90 Ų | 90 | 42.8 Ų | 42.8 | 42% | 0.417 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 7.7 | 180 | -69.7 | 78.6 | 0 | 0 | 0 | 113.6 | H229 D230 E231 E272 | H229-H233 AromaticContact CD2-CE1 3.52Å; H229-H233 AromaticContact CD2-ND1 3.69Å; H229-H233 AromaticContact CE1-CE1 3.95Å; H229-H233 AromaticContact CE1-CG 3.99Å; H229-H233 AromaticContact CE1-ND1 3.68Å; H229-H233 AromaticContact CG-ND1 3.91Å; H229-H233 AromaticContact ND1-ND1 3.94Å; H229-H233 AromaticContact NE2-CE1 3.38Å; H229-H233 PolarHBondContact NE2-CE1 2.98Å; H229-H233 AromaticContact NE2-ND1 3.57Å; H229-H233 AromaticContact NE2-NE2 3.83Å; H229-H233 PolarHBondContact O-N 3.27Å; H229-H233 VanDerWaalsContact O-N 3.14Å; H229-H233 PolarHBondContact O-ND1 3.46Å; D230-H233 PolarHBondContact O-N 3.38Å; E231-H233 PolarHBondContact O-N 2.86Å; H233-E272 IonicContact CE1-OE1 2.72Å |
| 234 | K | 96 | Very high | 96.8 | Very high | 92 Ų | 92 | 42.4 Ų | 42.4 | 40% | 0.4 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -68.6 | 149.9 | 168.1 | -70.8 | -178.5 | -174.7 | 166.8 | 0 | 110.2 | D230 E231 L236 I237 | D230-K234 WeakPolarHBondContact O-CG 3.47Å; D230-K234 PolarHBondContact O-N 3.28Å; E231-K234 VanDerWaalsContact CD-NZ 3.32Å; E231-K234 PolarHBondContact O-N 2.62Å; E231-K234 WeakPolarHBondContact OE1-CD 3.39Å; E231-K234 IonicContact OE1-NZ 2.65Å; E231-K234 PolarHBondContact OE1-NZ 3.24Å; E231-K234 WeakPolarHBondContact OE2-CE 3.46Å; E231-K234 IonicContact OE2-NZ 3.92Å; E231-K234 PolarHBondContact OE2-NZ 3.1Å; K234-L236 VanDerWaalsContact C-N 3.27Å; K234-L236 WeakPolarHBondContact CB-O 3.5Å; K234-L236 PolarHBondContact O-N 2.96Å; K234-I237 WeakPolarHBondContact O-CG1 3.31Å |
| 235 | E | 94.7 | Very high | 96.7 | Very high | 195 Ų | 195 | 43.4 Ų | 43.4 | 91% | 0.911 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -58.4 | -42.1 | 171.6 | -176.7 | 178 | -169.1 | 0 | 0 | 111.5 | ||
| 236 | L | 94.9 | Very high | 96.6 | Very high | 152 Ų | 152 | 43.4 Ų | 43.4 | 80% | 0.796 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -111.9 | 103.1 | 169.7 | -63.4 | 176.8 | 0 | 0 | 0 | 108.9 | K234 | K234-L236 VanDerWaalsContact C-N 3.27Å; K234-L236 WeakPolarHBondContact CB-O 3.5Å; K234-L236 PolarHBondContact O-N 2.96Å |
| 237 | I | 95.6 | Very high | 96.4 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | trans | -74.8 | 128.7 | 178.8 | -57.1 | 175.7 | 0 | 0 | 0 | 109.4 | L232 K234 V239 V242 I276 | L232-I237 WeakPolarHBondContact O-CD1 3.47Å; K234-I237 WeakPolarHBondContact O-CG1 3.31Å; I237-V239 VanDerWaalsContact C-N 3.29Å; I237-V239 PolarHBondContact O-N 3.16Å; I237-V242 HydrophobicContact CG2-CG2 3.96Å; I237-I276 HydrophobicContact CD1-CD1 4.24Å; I237-I276 HydrophobicContact CD1-CG2 3.6Å | ||
| 238 | D | 95.5 | Very high | 96.3 | Very high | 55 Ų | 55 | 43.2 Ų | 43.2 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | trans | -74.5 | 83.5 | 167.3 | 177.8 | 13.8 | 0 | 0 | 0 | 110.3 | R71 E231 L240 G241 V242 | R71-D238 IonicContact CZ-OD2 2.72Å; R71-D238 VanDerWaalsContact CZ-OD2 3.24Å; R71-D238 IonicContact NH1-OD2 2.68Å; R71-D238 PolarHBondContact NH1-OD2 3.48Å; R71-D238 IonicContact NH2-OD2 3.15Å; E231-D238 HydrophobicContact CG-CB 4.5Å; E231-D238 WeakPolarHBondContact OE1-CB 3.4Å; E231-D238 PolarHBondContact OE1-N 3.06Å; D238-L240 VanDerWaalsContact C-N 3.29Å; D238-L240 PolarHBondContact O-N 3.34Å; D238-G241 WeakPolarHBondContact O-CA 3.28Å; D238-G241 PolarHBondContact O-N 3.22Å; D238-G241 PolarHBondContact OD1-N 3.49Å; D238-G241 VanDerWaalsContact OD2-CA 3.3Å; D238-G241 WeakPolarHBondContact OD2-CA 3.33Å; D238-G241 PolarHBondContact OD2-N 2.94Å; D238-V242 WeakPolarHBondContact O-CG2 3.33Å; D238-V242 PolarHBondContact O-N 3.41Å | ||
| 239 | V | 95.8 | Very high | 96.1 | Very high | 41 Ų | 41 | 43.2 Ų | 43.2 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.7 | -43.8 | -177 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | L40 I237 G241 V242 Q243 Y277 Y281 | L40-V239 HydrophobicContact CD1-CG1 4.38Å; L40-V239 HydrophobicContact CD2-CG1 3.75Å; I237-V239 VanDerWaalsContact C-N 3.29Å; I237-V239 PolarHBondContact O-N 3.16Å; V239-G241 VanDerWaalsContact C-N 3.3Å; V239-G241 PolarHBondContact O-N 3.01Å; V239-V242 PolarHBondContact O-N 2.91Å; V239-Q243 WeakPolarHBondContact O-CB 3.45Å; V239-Q243 PolarHBondContact O-N 3.46Å; V239-Y277 HydrophobicContact CB-CE1 4.34Å; V239-Y277 HydrophobicContact CG1-CE1 3.72Å; V239-Y277 HydrophobicContact CG2-CE1 3.96Å; V239-Y281 HydrophobicContact CG1-CE1 4.14Å |
| 240 | L | 95.8 | Very high | 95.9 | Very high | 39 Ų | 39 | 42 Ų | 42 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 177.9 | 179.3 | 55.7 | 0 | 0 | 0 | 110.6 | Q43 D47 D238 Q243 R244 | Q43-L240 HydrophobicContact CG-CD1 3.55Å; D47-L240 WeakPolarHBondContact OD2-CD1 3.48Å; D238-L240 VanDerWaalsContact C-N 3.29Å; D238-L240 PolarHBondContact O-N 3.34Å; L240-Q243 WeakPolarHBondContact O-CB 3.33Å; L240-Q243 PolarHBondContact O-N 3.26Å; L240-R244 HydrophobicContact CD1-CG 4.3Å; L240-R244 WeakPolarHBondContact O-CG 3.4Å; L240-R244 PolarHBondContact O-N 3.29Å |
| 241 | G | 96.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R71 D238 V239 Q243 R244 F245 | R71-G241 PolarHBondContact NH2-O 3.17Å; D238-G241 WeakPolarHBondContact O-CA 3.28Å; D238-G241 PolarHBondContact O-N 3.22Å; D238-G241 PolarHBondContact OD1-N 3.49Å; D238-G241 VanDerWaalsContact OD2-CA 3.3Å; D238-G241 WeakPolarHBondContact OD2-CA 3.33Å; D238-G241 PolarHBondContact OD2-N 2.94Å; V239-G241 VanDerWaalsContact C-N 3.3Å; V239-G241 PolarHBondContact O-N 3.01Å; G241-Q243 VanDerWaalsContact C-N 3.34Å; G241-R244 PolarHBondContact O-N 3.12Å; G241-F245 WeakPolarHBondContact O-CB 3.4Å; G241-F245 PolarHBondContact O-N 3.3Å |
| 242 | V | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 173.5 | 169.2 | 0 | 0 | 0 | 0 | 110.1 | I228 E231 L232 I237 D238 V239 R244 F245 L246 Y277 | I228-V242 HydrophobicContact CD1-CB 4.19Å; I228-V242 HydrophobicContact CD1-CG1 3.91Å; I228-V242 HydrophobicContact CD1-CG2 4.06Å; E231-V242 HydrophobicContact CB-CG2 4.13Å; E231-V242 HydrophobicContact CG-CG2 3.43Å; E231-V242 VanDerWaalsContact CG-CG2 3.43Å; L232-V242 HydrophobicContact CD2-CG1 3.86Å; L232-V242 HydrophobicContact CD2-CG2 4Å; I237-V242 HydrophobicContact CG2-CG2 3.96Å; D238-V242 WeakPolarHBondContact O-CG2 3.33Å; D238-V242 PolarHBondContact O-N 3.41Å; V239-V242 PolarHBondContact O-N 2.91Å; V242-R244 PolarHBondContact O-N 3.38Å; V242-F245 WeakPolarHBondContact O-CB 3.21Å; V242-F245 PolarHBondContact O-N 3.33Å; V242-L246 HydrophobicContact CG1-CD1 4.29Å; V242-L246 WeakPolarHBondContact O-CG 3.36Å; V242-L246 PolarHBondContact O-N 3.3Å; V242-Y277 HydrophobicContact CG1-CE2 4.08Å |
| 243 | Q | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.2 | -51.4 | 178.3 | 174.2 | 176.5 | -69.9 | 0 | 0 | 112.1 | Q43 L44 D47 V239 L240 G241 F245 L246 L247 Y281 L285 | Q43-Q243 PolarHBondContact O-NE2 2.96Å; L44-Q243 VanDerWaalsContact CA-NE2 3.33Å; L44-Q243 HydrophobicContact CD1-CG 3.78Å; D47-Q243 PolarHBondContact OD2-NE2 3.23Å; V239-Q243 WeakPolarHBondContact O-CB 3.45Å; V239-Q243 PolarHBondContact O-N 3.46Å; L240-Q243 WeakPolarHBondContact O-CB 3.33Å; L240-Q243 PolarHBondContact O-N 3.26Å; G241-Q243 VanDerWaalsContact C-N 3.34Å; Q243-F245 VanDerWaalsContact C-N 3.34Å; Q243-F245 PolarHBondContact O-N 2.91Å; Q243-L246 PolarHBondContact O-N 3.31Å; Q243-L247 HydrophobicContact CG-CD1 4.2Å; Q243-L247 WeakPolarHBondContact O-CG 3.34Å; Q243-L247 PolarHBondContact O-N 2.83Å; Q243-Y281 PolarHBondContact OE1-OH 3.49Å; Q243-L285 HydrophobicContact CG-CD2 4.27Å |
| 244 | R | 96.5 | Very high | 95.2 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 3% | 0.03 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -39.4 | -178.2 | -74 | 176.8 | 176 | -157.3 | 4.7 | 111.8 | D47 L55 D58 E59 L240 G241 V242 L246 L247 F248 | D47-R244 IonicContact OD1-CZ 3.57Å; D47-R244 IonicContact OD1-NE 2.94Å; D47-R244 PolarHBondContact OD1-NE 3.18Å; D47-R244 IonicContact OD1-NH2 3.87Å; D47-R244 PolarHBondContact OD1-NH2 3.02Å; D47-R244 WeakPolarHBondContact OD2-CG 3.47Å; D47-R244 IonicContact OD2-CZ 3.24Å; D47-R244 IonicContact OD2-NE 3.5Å; D47-R244 PolarHBondContact OD2-NE 3.04Å; D47-R244 IonicContact OD2-NH2 3.24Å; L55-R244 PolarHBondContact O-NH1 3.48Å; D58-R244 VanDerWaalsContact CG-NH1 3.28Å; D58-R244 IonicContact OD2-CZ 3.26Å; D58-R244 VanDerWaalsContact OD2-CZ 3.24Å; D58-R244 IonicContact OD2-NH1 3.96Å; D58-R244 PolarHBondContact OD2-NH1 2.81Å; D58-R244 IonicContact OD2-NH2 2.73Å; D58-R244 PolarHBondContact OD2-NH2 3.01Å; E59-R244 VanDerWaalsContact OE2-CD 3.23Å; E59-R244 WeakPolarHBondContact OE2-CD 3.37Å; L240-R244 HydrophobicContact CD1-CG 4.3Å; L240-R244 WeakPolarHBondContact O-CG 3.4Å; L240-R244 PolarHBondContact O-N 3.29Å; G241-R244 PolarHBondContact O-N 3.12Å; V242-R244 PolarHBondContact O-N 3.38Å; R244-L246 VanDerWaalsContact C-N 3.34Å; R244-L246 PolarHBondContact O-N 3.23Å; R244-L247 WeakPolarHBondContact O-CB 3.45Å; R244-L247 PolarHBondContact O-N 3.19Å; R244-F248 HydrophobicContact CB-CD2 4.44Å; R244-F248 HydrophobicContact CB-CE2 3.79Å; R244-F248 HydrophobicContact CB-CZ 3.94Å; R244-F248 WeakPolarHBondContact O-CD2 3.46Å; R244-F248 WeakPolarHBondContact O-CG 3.37Å; R244-F248 PolarHBondContact O-N 3.36Å |
| 245 | F | 96.2 | Very high | 95.1 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.9 | -50.2 | 171.3 | -178.2 | -83.2 | 0 | 0 | 0 | 111.7 | F224 L227 I228 G241 V242 Q243 L247 F248 R249 | F224-F245 HydrophobicContact CB-CE2 4.35Å; F224-F245 HydrophobicContact CB-CZ 3.69Å; F224-F245 AromaticContact CD1-CE2 3.58Å; F224-F245 HydrophobicContact CD1-CE2 3.58Å; F224-F245 AromaticContact CD1-CZ 3.82Å; F224-F245 HydrophobicContact CD1-CZ 3.82Å; F224-F245 HydrophobicContact CE1-CE2 4.3Å; F224-F245 HydrophobicContact CG-CE2 4.29Å; F224-F245 HydrophobicContact CG-CZ 4.06Å; F224-F245 WeakPolarHBondContact O-CZ 3.49Å; L227-F245 HydrophobicContact CB-CE2 4.37Å; I228-F245 HydrophobicContact CB-CD1 4.14Å; I228-F245 HydrophobicContact CB-CE1 3.73Å; I228-F245 HydrophobicContact CB-CZ 4.03Å; I228-F245 HydrophobicContact CD1-CB 4.15Å; I228-F245 HydrophobicContact CD1-CD1 3.59Å; I228-F245 HydrophobicContact CD1-CE1 4.1Å; I228-F245 HydrophobicContact CD1-CG 3.91Å; I228-F245 HydrophobicContact CG1-CD1 3.97Å; I228-F245 HydrophobicContact CG1-CE1 4.02Å; I228-F245 HydrophobicContact CG2-CE1 4.24Å; G241-F245 WeakPolarHBondContact O-CB 3.4Å; G241-F245 PolarHBondContact O-N 3.3Å; V242-F245 WeakPolarHBondContact O-CB 3.21Å; V242-F245 PolarHBondContact O-N 3.33Å; Q243-F245 VanDerWaalsContact C-N 3.34Å; Q243-F245 PolarHBondContact O-N 2.91Å; F245-L247 VanDerWaalsContact C-N 3.31Å; F245-L247 PolarHBondContact O-N 3.15Å; F245-F248 PolarHBondContact O-N 2.98Å; F245-R249 HydrophobicContact CD1-CG 4.25Å; F245-R249 HydrophobicContact CE1-CG 3.99Å; F245-R249 HydrophobicContact CZ-CG 4.23Å; F245-R249 WeakPolarHBondContact O-CG 3.4Å; F245-R249 PolarHBondContact O-N 3.46Å; F245-R249 VanDerWaalsContact O-N 3.09Å |
| 246 | L | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -42.1 | 177.5 | -64.9 | 176.1 | 0 | 0 | 0 | 111.2 | V242 Q243 R244 R249 S250 L254 L269 V273 L285 L288 L289 | V242-L246 HydrophobicContact CG1-CD1 4.29Å; V242-L246 WeakPolarHBondContact O-CG 3.36Å; V242-L246 PolarHBondContact O-N 3.3Å; Q243-L246 PolarHBondContact O-N 3.31Å; R244-L246 VanDerWaalsContact C-N 3.34Å; R244-L246 PolarHBondContact O-N 3.23Å; L246-R249 PolarHBondContact O-N 2.85Å; L246-S250 VanDerWaalsContact O-CB 3.28Å; L246-S250 WeakPolarHBondContact O-CB 3.21Å; L246-S250 PolarHBondContact O-N 3.39Å; L246-L254 HydrophobicContact CB-CD2 4.38Å; L246-L254 HydrophobicContact CD2-CD1 3.71Å; L246-L254 HydrophobicContact CD2-CD2 4.18Å; L246-L254 WeakPolarHBondContact O-CD2 3.32Å; L246-L269 HydrophobicContact CD2-CD2 4.1Å; L246-V273 HydrophobicContact CD1-CG2 4.35Å; L246-L285 HydrophobicContact CD1-CB 4.24Å; L246-L285 HydrophobicContact CD1-CD1 4.28Å; L246-L285 HydrophobicContact CD1-CD2 4.18Å; L246-L285 HydrophobicContact CD1-CG 4.47Å; L246-L288 HydrophobicContact CB-CD1 4.41Å; L246-L289 HydrophobicContact CD2-CD2 4.23Å; L246-L289 HydrophobicContact CD2-CG 4.45Å |
| 247 | L | 95.2 | Very high | 95.3 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.7 | -51.7 | 175.7 | -74.2 | 170.5 | 0 | 0 | 0 | 112.2 | L44 D47 L48 Q243 R244 F245 R249 S250 L288 | L44-L247 HydrophobicContact CD1-CD1 4.06Å; L44-L247 HydrophobicContact CD1-CD2 4.23Å; L44-L247 HydrophobicContact CD1-CG 4.36Å; D47-L247 HydrophobicContact CB-CD1 3.64Å; L48-L247 HydrophobicContact CD2-CD2 3.51Å; L48-L247 HydrophobicContact CG-CD2 4.13Å; Q243-L247 HydrophobicContact CG-CD1 4.2Å; Q243-L247 WeakPolarHBondContact O-CG 3.34Å; Q243-L247 PolarHBondContact O-N 2.83Å; R244-L247 WeakPolarHBondContact O-CB 3.45Å; R244-L247 PolarHBondContact O-N 3.19Å; F245-L247 VanDerWaalsContact C-N 3.31Å; F245-L247 PolarHBondContact O-N 3.15Å; L247-R249 VanDerWaalsContact C-N 3.27Å; L247-R249 PolarHBondContact O-N 2.93Å; L247-S250 PolarHBondContact O-N 2.88Å; L247-S250 PolarHBondContact O-OG 3.24Å; L247-L288 HydrophobicContact CD2-CD1 3.57Å; L247-L288 HydrophobicContact CD2-CD2 3.9Å; L247-L288 HydrophobicContact CD2-CG 4.4Å; L247-L288 HydrophobicContact CG-CD1 3.99Å |
| 248 | F | 94.5 | Very high | 95.3 | Very high | 36 Ų | 36 | 28 Ų | 28 | 16% | 0.158 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.9 | -38.5 | -178.9 | -59.4 | -36.2 | 0 | 0 | 0 | 112.3 | T52 L55 L56 R244 F245 I252 | T52-F248 HydrophobicContact CG2-CD1 4.15Å; T52-F248 HydrophobicContact CG2-CE1 4.37Å; L55-F248 HydrophobicContact CB-CE1 3.64Å; L55-F248 HydrophobicContact CB-CZ 3.79Å; L55-F248 HydrophobicContact CD1-CE1 4.14Å; L56-F248 HydrophobicContact CD2-CD1 4.29Å; L56-F248 HydrophobicContact CD2-CD2 3.93Å; L56-F248 HydrophobicContact CD2-CE1 4.04Å; L56-F248 HydrophobicContact CD2-CE2 3.66Å; L56-F248 HydrophobicContact CD2-CG 4.25Å; L56-F248 HydrophobicContact CD2-CZ 3.72Å; L56-F248 HydrophobicContact CG-CD1 4.36Å; L56-F248 HydrophobicContact CG-CE1 3.9Å; L56-F248 HydrophobicContact CG-CE2 4.35Å; L56-F248 HydrophobicContact CG-CZ 3.89Å; R244-F248 HydrophobicContact CB-CD2 4.44Å; R244-F248 HydrophobicContact CB-CE2 3.79Å; R244-F248 HydrophobicContact CB-CZ 3.94Å; R244-F248 WeakPolarHBondContact O-CD2 3.46Å; R244-F248 WeakPolarHBondContact O-CG 3.37Å; R244-F248 PolarHBondContact O-N 3.36Å; F245-F248 PolarHBondContact O-N 2.98Å; F248-I252 VanDerWaalsContact O-CD1 3.3Å; F248-I252 WeakPolarHBondContact O-CD1 3.47Å |
| 249 | R | 94.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 1% | 0.011 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -84.8 | -19.5 | -178.3 | -56.5 | -46.7 | -60.9 | 170.5 | -7.4 | 113.7 | D78 K220 F224 F245 L246 L247 E251 I252 D253 L254 I257 | D78-R249 IonicContact OD1-NH1 2.99Å; D78-R249 IonicContact OD2-CZ 3.55Å; D78-R249 IonicContact OD2-NH1 3.72Å; D78-R249 PolarHBondContact OD2-NH1 3.1Å; K220-R249 VanDerWaalsContact CE-NH2 3.29Å; F224-R249 VanDerWaalsContact CE2-CZ 3.47Å; F245-R249 HydrophobicContact CD1-CG 4.25Å; F245-R249 HydrophobicContact CE1-CG 3.99Å; F245-R249 HydrophobicContact CZ-CG 4.23Å; F245-R249 WeakPolarHBondContact O-CG 3.4Å; F245-R249 PolarHBondContact O-N 3.46Å; F245-R249 VanDerWaalsContact O-N 3.09Å; L246-R249 PolarHBondContact O-N 2.85Å; L247-R249 VanDerWaalsContact C-N 3.27Å; L247-R249 PolarHBondContact O-N 2.93Å; R249-E251 PolarHBondContact O-N 2.79Å; R249-E251 VanDerWaalsContact O-N 3.1Å; R249-I252 PolarHBondContact O-N 3.16Å; R249-D253 IonicContact CZ-OD1 3.95Å; R249-D253 IonicContact CZ-OD2 2.88Å; R249-D253 IonicContact NE-OD1 2.72Å; R249-D253 PolarHBondContact NE-OD1 3.37Å; R249-D253 IonicContact NH2-OD1 3.46Å; R249-D253 PolarHBondContact NH2-OD1 3Å; R249-D253 IonicContact NH2-OD2 3.96Å; R249-D253 PolarHBondContact NH2-OD2 3.36Å; R249-D253 PolarHBondContact O-N 3.07Å; R249-D253 VanDerWaalsContact O-N 3.08Å; R249-L254 HydrophobicContact CB-CB 3.89Å; R249-L254 HydrophobicContact CB-CD1 4.11Å; R249-L254 HydrophobicContact CB-CG 4.48Å; R249-L254 VanDerWaalsContact O-CB 3.29Å; R249-L254 WeakPolarHBondContact O-CB 3.4Å; R249-L254 PolarHBondContact O-N 3.42Å; R249-I257 HydrophobicContact CB-CD1 3.91Å; R249-I257 HydrophobicContact CG-CD1 3.7Å |
| 250 | S | 93.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.5 | -173 | 67.1 | 0 | 0 | 0 | 0 | 114.2 | L246 L247 | L246-S250 VanDerWaalsContact O-CB 3.28Å; L246-S250 WeakPolarHBondContact O-CB 3.21Å; L246-S250 PolarHBondContact O-N 3.39Å; L247-S250 PolarHBondContact O-N 2.88Å; L247-S250 PolarHBondContact O-OG 3.24Å |
| 251 | E | 89.9 | Confident | 95.6 | Very high | 77 Ų | 77 | 30.4 Ų | 30.4 | 36% | 0.36 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 3.1 | 179.7 | -63.1 | 174.8 | -148.5 | 0 | 0 | 112.6 | T10 N11 R14 R249 | T10-E251 WeakPolarHBondContact CA-OE1 3.4Å; T10-E251 WeakPolarHBondContact CA-OE2 3.39Å; T10-E251 VanDerWaalsContact CB-OE2 3.29Å; T10-E251 WeakPolarHBondContact CB-OE2 3.39Å; N11-E251 PolarHBondContact N-OE1 2.68Å; N11-E251 PolarHBondContact N-OE2 3.08Å; R14-E251 IonicContact CZ-OE1 2.69Å; R14-E251 IonicContact NH1-OE1 3.95Å; R14-E251 PolarHBondContact NH1-OE1 3.3Å; R14-E251 IonicContact NH2-OE1 3.34Å; R14-E251 PolarHBondContact NH2-OE1 3.13Å; R249-E251 PolarHBondContact O-N 2.79Å; R249-E251 VanDerWaalsContact O-N 3.1Å |
| 252 | I | 92.2 | Very high | 95.7 | Very high | 104 Ų | 104 | 34.2 Ų | 34.2 | 53% | 0.533 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | -69.1 | -171.7 | -53.9 | 175.4 | 0 | 0 | 0 | 111.1 | F248 R249 | F248-I252 VanDerWaalsContact O-CD1 3.3Å; F248-I252 WeakPolarHBondContact O-CD1 3.47Å; R249-I252 PolarHBondContact O-N 3.16Å |
| 253 | D | 95 | Very high | 95.8 | Very high | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -155.2 | 17.5 | -171.7 | 70.1 | -6.2 | 0 | 0 | 0 | 114.3 | R249 H255 T256 I257 | R249-D253 IonicContact CZ-OD1 3.95Å; R249-D253 IonicContact CZ-OD2 2.88Å; R249-D253 IonicContact NE-OD1 2.72Å; R249-D253 PolarHBondContact NE-OD1 3.37Å; R249-D253 IonicContact NH2-OD1 3.46Å; R249-D253 PolarHBondContact NH2-OD1 3Å; R249-D253 IonicContact NH2-OD2 3.96Å; R249-D253 PolarHBondContact NH2-OD2 3.36Å; R249-D253 PolarHBondContact O-N 3.07Å; R249-D253 VanDerWaalsContact O-N 3.08Å; D253-H255 PolarHBondContact O-N 3.04Å; D253-T256 CarbonylContact O-C 3.57Å; D253-T256 WeakPolarHBondContact O-CA 3.21Å; D253-T256 WeakPolarHBondContact O-CB 3.39Å; D253-T256 PolarHBondContact O-N 3.45Å; D253-I257 PolarHBondContact O-N 3.41Å; D253-I257 WeakPolarHBondContact OD1-CD1 3.49Å |
| 254 | L | 95.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.5 | -38.5 | -175.7 | -176.5 | 57.7 | 0 | 0 | 0 | 113.1 | L246 R249 T256 I257 D258 L269 L288 L289 | L246-L254 HydrophobicContact CB-CD2 4.38Å; L246-L254 HydrophobicContact CD2-CD1 3.71Å; L246-L254 HydrophobicContact CD2-CD2 4.18Å; L246-L254 WeakPolarHBondContact O-CD2 3.32Å; R249-L254 HydrophobicContact CB-CB 3.89Å; R249-L254 HydrophobicContact CB-CD1 4.11Å; R249-L254 HydrophobicContact CB-CG 4.48Å; R249-L254 VanDerWaalsContact O-CB 3.29Å; R249-L254 WeakPolarHBondContact O-CB 3.4Å; R249-L254 PolarHBondContact O-N 3.42Å; L254-T256 VanDerWaalsContact C-N 3.28Å; L254-T256 PolarHBondContact O-N 2.91Å; L254-I257 HydrophobicContact CD1-CB 4.47Å; L254-I257 WeakPolarHBondContact O-CB 3.17Å; L254-I257 PolarHBondContact O-N 3.13Å; L254-D258 PolarHBondContact O-N 3.03Å; L254-L269 HydrophobicContact CD1-CD2 4.18Å; L254-L288 HydrophobicContact CD2-CB 4.41Å; L254-L289 HydrophobicContact CD1-CD2 3.77Å; L254-L289 HydrophobicContact CD2-CD2 3.93Å; L254-L289 HydrophobicContact CD2-CG 4Å; L254-L289 HydrophobicContact CG-CD2 3.71Å; L254-L289 HydrophobicContact CG-CG 4.32Å |
| 255 | H | 94.3 | Very high | 95.9 | Very high | 80 Ų | 80 | 45.3 Ų | 45.3 | 37% | 0.37 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.1 | -34 | 173.6 | -175.3 | 68.5 | 0 | 0 | 0 | 113.1 | D253 K259 | D253-H255 PolarHBondContact O-N 3.04Å; H255-K259 PolarHBondContact CD2-NZ 3Å; H255-K259 WeakPolarHBondContact NE2-CE 3.36Å; H255-K259 PolarHBondContact NE2-NZ 3Å; H255-K259 PolarHBondContact O-N 2.96Å |
| 256 | T | 95.5 | Very high | 96 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 39% | 0.387 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -74.6 | -38 | 174.6 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | P221 D253 L254 D258 K259 K260 | P221-T256 HydrophobicContact CB-CG2 3.79Å; P221-T256 HydrophobicContact CG-CG2 3.72Å; D253-T256 CarbonylContact O-C 3.57Å; D253-T256 WeakPolarHBondContact O-CA 3.21Å; D253-T256 WeakPolarHBondContact O-CB 3.39Å; D253-T256 PolarHBondContact O-N 3.45Å; L254-T256 VanDerWaalsContact C-N 3.28Å; L254-T256 PolarHBondContact O-N 2.91Å; T256-D258 VanDerWaalsContact C-N 3.34Å; T256-K259 PolarHBondContact O-N 2.86Å; T256-K260 WeakPolarHBondContact O-CG 3.16Å; T256-K260 PolarHBondContact O-N 3.22Å |
| 257 | I | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58 | -46.9 | 172.7 | -68.6 | 168.9 | 0 | 0 | 0 | 110 | P221 F224 A225 R249 D253 L254 K259 K260 Y261 L269 | P221-I257 HydrophobicContact CB-CG1 3.97Å; F224-I257 HydrophobicContact CB-CD1 3.61Å; F224-I257 HydrophobicContact CB-CG1 4.01Å; F224-I257 HydrophobicContact CD2-CD1 4.24Å; F224-I257 HydrophobicContact CG-CD1 4.22Å; A225-I257 HydrophobicContact CB-CG2 4.06Å; R249-I257 HydrophobicContact CB-CD1 3.91Å; R249-I257 HydrophobicContact CG-CD1 3.7Å; D253-I257 PolarHBondContact O-N 3.41Å; D253-I257 WeakPolarHBondContact OD1-CD1 3.49Å; L254-I257 HydrophobicContact CD1-CB 4.47Å; L254-I257 WeakPolarHBondContact O-CB 3.17Å; L254-I257 PolarHBondContact O-N 3.13Å; I257-K259 VanDerWaalsContact C-N 3.32Å; I257-K259 PolarHBondContact O-N 3.42Å; I257-K260 CarbonylContact O-C 3.59Å; I257-K260 PolarHBondContact O-N 3.3Å; I257-K260 VanDerWaalsContact O-N 3.07Å; I257-Y261 WeakPolarHBondContact O-CB 3.46Å; I257-Y261 PolarHBondContact O-N 3Å; I257-L269 HydrophobicContact CG2-CD2 4.12Å |
| 258 | D | 97.4 | Very high | 96.2 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 6% | 0.059 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.6 | -43.2 | 177.8 | 179.4 | 66.4 | 0 | 0 | 0 | 112.3 | L254 T256 Y261 K262 Y268 L269 S270 L289 | L254-D258 PolarHBondContact O-N 3.03Å; T256-D258 VanDerWaalsContact C-N 3.34Å; D258-Y261 WeakPolarHBondContact O-CB 3.42Å; D258-Y261 PolarHBondContact O-N 3.22Å; D258-K262 PolarHBondContact O-N 3.25Å; D258-K262 VanDerWaalsContact O-N 3.1Å; D258-Y268 WeakPolarHBondContact OD2-CD1 3.32Å; D258-L269 HydrophobicContact CB-CB 4.33Å; D258-L269 WeakPolarHBondContact OD1-CA 3.49Å; D258-L269 WeakPolarHBondContact OD1-CB 3.38Å; D258-L269 PolarHBondContact OD1-N 3.15Å; D258-S270 PolarHBondContact OD1-N 3.3Å; D258-S270 PolarHBondContact OD1-OG 2.96Å; D258-L289 HydrophobicContact CB-CD2 4.42Å |
| 259 | K | 96.3 | Very high | 96.4 | Very high | 111 Ų | 111 | 51.7 Ų | 51.7 | 48% | 0.483 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 173.7 | -69.3 | 176.2 | -176 | 166.5 | 0 | 113 | H255 T256 I257 Y261 K262 A263 | H255-K259 PolarHBondContact CD2-NZ 3Å; H255-K259 WeakPolarHBondContact NE2-CE 3.36Å; H255-K259 PolarHBondContact NE2-NZ 3Å; H255-K259 PolarHBondContact O-N 2.96Å; T256-K259 PolarHBondContact O-N 2.86Å; I257-K259 VanDerWaalsContact C-N 3.32Å; I257-K259 PolarHBondContact O-N 3.42Å; K259-Y261 VanDerWaalsContact C-N 3.34Å; K259-K262 PolarHBondContact O-N 3.02Å; K259-A263 PolarHBondContact O-N 3.24Å |
| 260 | K | 97.7 | Very high | 96.4 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.1 | -35.8 | 176.9 | -70.7 | -46.2 | -170.9 | -179.6 | 0 | 111.9 | P221 M222 A225 T256 I257 A263 K264 | P221-K260 HydrophobicContact CB-CG 3.82Å; M222-K260 HydrophobicContact CB-CB 4.43Å; M222-K260 HydrophobicContact CB-CG 4.48Å; M222-K260 HydrophobicContact CE-CB 4Å; M222-K260 HydrophobicContact CE-CD 4.13Å; M222-K260 HydrophobicContact CE-CG 4.44Å; M222-K260 HydrophobicContact SD-CB 4.18Å; A225-K260 HydrophobicContact CB-CB 4.28Å; T256-K260 WeakPolarHBondContact O-CG 3.16Å; T256-K260 PolarHBondContact O-N 3.22Å; I257-K260 CarbonylContact O-C 3.59Å; I257-K260 PolarHBondContact O-N 3.3Å; I257-K260 VanDerWaalsContact O-N 3.07Å; K260-A263 PolarHBondContact O-N 3.46Å; K260-K264 PolarHBondContact O-N 2.83Å |
| 261 | Y | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.9 | -51.2 | 173.6 | -163.6 | -74.5 | 0 | 0 | 0 | 110.1 | A225 I228 H229 I257 D258 K259 A263 K264 Y265 I267 L269 E272 | A225-Y261 HydrophobicContact CB-CD2 4.13Å; A225-Y261 WeakPolarHBondContact O-CD2 3.24Å; I228-Y261 HydrophobicContact CG2-CD2 3.83Å; I228-Y261 HydrophobicContact CG2-CE2 3.82Å; H229-Y261 HydrophobicContact CB-CD2 4.38Å; H229-Y261 HydrophobicContact CB-CE2 3.5Å; H229-Y261 VanDerWaalsContact CB-CE2 3.5Å; H229-Y261 AromaticContact CD2-CZ 3.74Å; H229-Y261 PolarHBondContact CD2-OH 3.37Å; H229-Y261 VanDerWaalsContact CD2-OH 3.23Å; I257-Y261 WeakPolarHBondContact O-CB 3.46Å; I257-Y261 PolarHBondContact O-N 3Å; D258-Y261 WeakPolarHBondContact O-CB 3.42Å; D258-Y261 PolarHBondContact O-N 3.22Å; K259-Y261 VanDerWaalsContact C-N 3.34Å; Y261-A263 VanDerWaalsContact C-N 3.34Å; Y261-A263 PolarHBondContact O-N 2.03Å; Y261-K264 PolarHBondContact O-N 3.07Å; Y261-K264 VanDerWaalsContact O-N 3.15Å; Y261-Y265 AromaticContact CD1-CD2 3.88Å; Y261-Y265 HydrophobicContact CD1-CD2 3.88Å; Y261-Y265 HydrophobicContact CD2-CD2 4.1Å; Y261-Y265 HydrophobicContact CD2-CE2 4.36Å; Y261-Y265 AromaticContact CE1-CD2 3.92Å; Y261-Y265 HydrophobicContact CE1-CD2 3.92Å; Y261-Y265 HydrophobicContact CE1-CG 4.31Å; Y261-Y265 HydrophobicContact CE2-CD2 4.16Å; Y261-Y265 HydrophobicContact CE2-CE2 4.39Å; Y261-Y265 AromaticContact CG-CD2 3.97Å; Y261-Y265 HydrophobicContact CG-CD2 3.97Å; Y261-Y265 WeakPolarHBondContact O-CD2 3.17Å; Y261-Y265 PolarHBondContact O-N 2.81Å; Y261-I267 WeakPolarHBondContact CD1-O 3.26Å; Y261-I267 HydrophobicContact CE1-CG1 4.12Å; Y261-L269 HydrophobicContact CD1-CB 4.16Å; Y261-L269 HydrophobicContact CD2-CB 3.96Å; Y261-L269 HydrophobicContact CD2-CD1 3.92Å; Y261-L269 HydrophobicContact CD2-CG 4.38Å; Y261-L269 HydrophobicContact CE2-CD1 3.76Å; Y261-L269 HydrophobicContact CG-CB 3.76Å; Y261-E272 HydrophobicContact CE1-CB 4.35Å |
| 262 | K | 98.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 53.2 Ų | 53.2 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 173.4 | 179.1 | 171.9 | 176.4 | 172.4 | 0 | 113.6 | D258 K259 K264 G266 I267 Y268 | D258-K262 PolarHBondContact O-N 3.25Å; D258-K262 VanDerWaalsContact O-N 3.1Å; K259-K262 PolarHBondContact O-N 3.02Å; K262-K264 PolarHBondContact O-N 2.79Å; K262-G266 WeakPolarHBondContact O-CA 3Å; K262-G266 PolarHBondContact O-N 3.24Å; K262-I267 WeakPolarHBondContact CA-O 3.02Å; K262-I267 WeakPolarHBondContact CB-O 3.46Å; K262-I267 PolarHBondContact N-O 3.4Å; K262-Y268 HydrophobicContact CB-CD1 3.85Å; K262-Y268 HydrophobicContact CB-CE1 4.11Å; K262-Y268 HydrophobicContact CB-CG 4.28Å; K262-Y268 HydrophobicContact CD-CD1 3.71Å; K262-Y268 HydrophobicContact CD-CD2 3.74Å; K262-Y268 HydrophobicContact CD-CE1 3.36Å; K262-Y268 HydrophobicContact CD-CE2 3.39Å; K262-Y268 HydrophobicContact CD-CG 3.89Å; K262-Y268 HydrophobicContact CG-CD1 4.41Å; K262-Y268 HydrophobicContact CG-CE1 4.37Å; K262-Y268 PolarHBondContact NZ-OH 3.15Å |
| 263 | A | 98.3 | Very high | 97.1 | Very high | 80 Ų | 80 | 48.2 Ų | 48.2 | 66% | 0.661 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.2 | -29.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K259 K260 Y261 | K259-A263 PolarHBondContact O-N 3.24Å; K260-A263 PolarHBondContact O-N 3.46Å; Y261-A263 VanDerWaalsContact C-N 3.34Å; Y261-A263 PolarHBondContact O-N 2.03Å |
| 264 | K | 98.4 | Very high | 97.1 | Very high | 102 Ų | 102 | 53.4 Ų | 53.4 | 44% | 0.443 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -94.8 | -38 | -178.5 | -175.4 | 170.1 | 173.5 | -178 | 0 | 113.6 | M222 T226 K260 Y261 K262 | M222-K264 HydrophobicContact CE-CB 3.98Å; M222-K264 HydrophobicContact CG-CD 4.43Å; M222-K264 HydrophobicContact SD-CB 3.66Å; M222-K264 HydrophobicContact SD-CD 3.49Å; M222-K264 WeakPolarHBondContact SD-CD 3.42Å; M222-K264 HydrophobicContact SD-CG 4.15Å; T226-K264 PolarHBondContact OG1-NZ 2.81Å; K260-K264 PolarHBondContact O-N 2.83Å; Y261-K264 PolarHBondContact O-N 3.07Å; Y261-K264 VanDerWaalsContact O-N 3.15Å; K262-K264 PolarHBondContact O-N 2.79Å |
| 265 | Y | 98.3 | Very high | 97.1 | Very high | 60 Ų | 60 | 61.1 Ų | 61.1 | 24% | 0.235 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -113.8 | -2.4 | -170.1 | -57.1 | -68.6 | 0 | 0 | 0 | 114 | T226 H229 Y261 I267 | T226-Y265 WeakPolarHBondContact CA-OH 3.38Å; H229-Y265 HydrophobicContact CB-CD2 4.1Å; H229-Y265 HydrophobicContact CB-CE1 4.27Å; H229-Y265 HydrophobicContact CB-CE2 3.47Å; H229-Y265 VanDerWaalsContact CB-CE2 3.47Å; H229-Y265 AromaticContact CD2-CD1 3.32Å; H229-Y265 WeakPolarHBondContact CD2-CD1 3.47Å; H229-Y265 AromaticContact CD2-CD2 3.61Å; H229-Y265 AromaticContact CD2-CE1 3.38Å; H229-Y265 WeakPolarHBondContact CD2-CE1 3.39Å; H229-Y265 AromaticContact CD2-CE2 3.7Å; H229-Y265 AromaticContact CD2-CG 3.43Å; H229-Y265 VanDerWaalsContact CD2-CG 3.43Å; H229-Y265 AromaticContact CD2-CZ 3.57Å; H229-Y265 AromaticContact CE1-CE1 3.66Å; H229-Y265 AromaticContact CG-CD1 3.96Å; H229-Y265 AromaticContact CG-CE1 3.52Å; H229-Y265 AromaticContact CG-CE2 3.6Å; H229-Y265 AromaticContact CG-CZ 3.32Å; H229-Y265 AromaticContact ND1-CE1 3.67Å; H229-Y265 AromaticContact ND1-CZ 3.73Å; H229-Y265 AromaticContact NE2-CD1 3.36Å; H229-Y265 WeakPolarHBondContact NE2-CD1 3.42Å; H229-Y265 AromaticContact NE2-CE1 3.46Å; H229-Y265 WeakPolarHBondContact NE2-CE1 3.4Å; H229-Y265 AromaticContact NE2-CG 3.92Å; Y261-Y265 AromaticContact CD1-CD2 3.88Å; Y261-Y265 HydrophobicContact CD1-CD2 3.88Å; Y261-Y265 HydrophobicContact CD2-CD2 4.1Å; Y261-Y265 HydrophobicContact CD2-CE2 4.36Å; Y261-Y265 AromaticContact CE1-CD2 3.92Å; Y261-Y265 HydrophobicContact CE1-CD2 3.92Å; Y261-Y265 HydrophobicContact CE1-CG 4.31Å; Y261-Y265 HydrophobicContact CE2-CD2 4.16Å; Y261-Y265 HydrophobicContact CE2-CE2 4.39Å; Y261-Y265 AromaticContact CG-CD2 3.97Å; Y261-Y265 HydrophobicContact CG-CD2 3.97Å; Y261-Y265 WeakPolarHBondContact O-CD2 3.17Å; Y261-Y265 PolarHBondContact O-N 2.81Å; Y265-I267 VanDerWaalsContact C-N 3.3Å; Y265-I267 PolarHBondContact O-N 2.88Å |
| 266 | G | 98.1 | Very high | 97.1 | Very high | 59 Ų | 59 | 59.2 Ų | 59.2 | 61% | 0.608 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 83.7 | -7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | K262 | K262-G266 WeakPolarHBondContact O-CA 3Å; K262-G266 PolarHBondContact O-N 3.24Å |
| 267 | I | 98 | Very high | 97.1 | Very high | 62 Ų | 62 | 57 Ų | 57 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -133 | 151.9 | -179.1 | 60.5 | 176.8 | 0 | 0 | 0 | 110.7 | Y261 K262 Y265 E272 | Y261-I267 WeakPolarHBondContact CD1-O 3.26Å; Y261-I267 HydrophobicContact CE1-CG1 4.12Å; K262-I267 WeakPolarHBondContact CA-O 3.02Å; K262-I267 WeakPolarHBondContact CB-O 3.46Å; K262-I267 PolarHBondContact N-O 3.4Å; Y265-I267 VanDerWaalsContact C-N 3.3Å; Y265-I267 PolarHBondContact O-N 2.88Å; I267-E272 HydrophobicContact CD1-CB 4.1Å; I267-E272 HydrophobicContact CD1-CG 4.4Å; I267-E272 WeakPolarHBondContact CD1-OE2 3Å |
| 268 | Y | 97.5 | Very high | 96.9 | Very high | 84 Ų | 84 | 66.4 Ų | 66.4 | 33% | 0.329 | 32% | 0.321 | S | S | . | . | trans | -69.3 | 147.7 | 174.7 | -70.7 | -76.5 | 0 | 0 | 0 | 110.9 | D258 K262 S270 D271 E272 | D258-Y268 WeakPolarHBondContact OD2-CD1 3.32Å; K262-Y268 HydrophobicContact CB-CD1 3.85Å; K262-Y268 HydrophobicContact CB-CE1 4.11Å; K262-Y268 HydrophobicContact CB-CG 4.28Å; K262-Y268 HydrophobicContact CD-CD1 3.71Å; K262-Y268 HydrophobicContact CD-CD2 3.74Å; K262-Y268 HydrophobicContact CD-CE1 3.36Å; K262-Y268 HydrophobicContact CD-CE2 3.39Å; K262-Y268 HydrophobicContact CD-CG 3.89Å; K262-Y268 HydrophobicContact CG-CD1 4.41Å; K262-Y268 HydrophobicContact CG-CE1 4.37Å; K262-Y268 PolarHBondContact NZ-OH 3.15Å; Y268-S270 WeakPolarHBondContact CB-OG 3.44Å; Y268-S270 PolarHBondContact O-N 2.91Å; Y268-D271 WeakPolarHBondContact CD2-OD2 3.23Å; Y268-D271 PolarHBondContact O-N 3.29Å; Y268-D271 VanDerWaalsContact O-N 3.12Å; Y268-E272 PolarHBondContact O-N 3.38Å | ||
| 269 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.2 | -38.1 | 172.4 | 172.1 | 60 | 0 | 0 | 0 | 110.1 | I228 L232 L246 L254 I257 D258 Y261 D271 E272 V273 L289 | I228-L269 HydrophobicContact CG1-CD1 4.07Å; I228-L269 HydrophobicContact CG2-CD1 3.88Å; I228-L269 HydrophobicContact CG2-CD2 3.99Å; L232-L269 HydrophobicContact CD1-CD1 3.65Å; L246-L269 HydrophobicContact CD2-CD2 4.1Å; L254-L269 HydrophobicContact CD1-CD2 4.18Å; I257-L269 HydrophobicContact CG2-CD2 4.12Å; D258-L269 HydrophobicContact CB-CB 4.33Å; D258-L269 WeakPolarHBondContact OD1-CA 3.49Å; D258-L269 WeakPolarHBondContact OD1-CB 3.38Å; D258-L269 PolarHBondContact OD1-N 3.15Å; Y261-L269 HydrophobicContact CD1-CB 4.16Å; Y261-L269 HydrophobicContact CD2-CB 3.96Å; Y261-L269 HydrophobicContact CD2-CD1 3.92Å; Y261-L269 HydrophobicContact CD2-CG 4.38Å; Y261-L269 HydrophobicContact CE2-CD1 3.76Å; Y261-L269 HydrophobicContact CG-CB 3.76Å; L269-D271 PolarHBondContact O-N 3.29Å; L269-E272 PolarHBondContact O-N 3.38Å; L269-V273 HydrophobicContact CD1-CG2 3.98Å; L269-V273 HydrophobicContact CG-CG2 4.31Å; L269-V273 WeakPolarHBondContact O-CB 3.44Å; L269-V273 VanDerWaalsContact O-CG2 3.3Å; L269-V273 WeakPolarHBondContact O-CG2 3.19Å; L269-V273 PolarHBondContact O-N 3.29Å; L269-L289 HydrophobicContact CD2-CD2 3.87Å; L269-L289 HydrophobicContact CG-CD2 4.07Å |
| 270 | S | 95.6 | Very high | 96.5 | Very high | 27 Ų | 27 | 70 Ų | 70 | 19% | 0.189 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 173.9 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | D258 Y268 K274 L286 | D258-S270 PolarHBondContact OD1-N 3.3Å; D258-S270 PolarHBondContact OD1-OG 2.96Å; Y268-S270 WeakPolarHBondContact CB-OG 3.44Å; Y268-S270 PolarHBondContact O-N 2.91Å; S270-K274 WeakPolarHBondContact O-CB 3.46Å; S270-K274 PolarHBondContact O-N 2.91Å; S270-K274 VanDerWaalsContact O-N 3.07Å; S270-L286 VanDerWaalsContact O-CD2 3.22Å; S270-L286 WeakPolarHBondContact O-CD2 3.45Å |
| 271 | D | 96.3 | Very high | 96.4 | Very high | 90 Ų | 90 | 66.8 Ų | 66.8 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 175.8 | -65 | -35.9 | 0 | 0 | 0 | 111.3 | Y268 L269 K274 R275 | Y268-D271 WeakPolarHBondContact CD2-OD2 3.23Å; Y268-D271 PolarHBondContact O-N 3.29Å; Y268-D271 VanDerWaalsContact O-N 3.12Å; L269-D271 PolarHBondContact O-N 3.29Å; D271-K274 PolarHBondContact O-N 3.12Å; D271-R275 PolarHBondContact O-N 3.33Å |
| 272 | E | 97 | Very high | 96.2 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.009 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 177 | -172.5 | 58.7 | -148.9 | 0 | 0 | 112.3 | L232 H233 Y261 I267 Y268 L269 K274 R275 I276 | L232-E272 HydrophobicContact CD1-CG 4.05Å; H233-E272 IonicContact CE1-OE1 2.72Å; Y261-E272 HydrophobicContact CE1-CB 4.35Å; I267-E272 HydrophobicContact CD1-CB 4.1Å; I267-E272 HydrophobicContact CD1-CG 4.4Å; I267-E272 WeakPolarHBondContact CD1-OE2 3Å; Y268-E272 PolarHBondContact O-N 3.38Å; L269-E272 PolarHBondContact O-N 3.38Å; E272-K274 VanDerWaalsContact C-N 3.26Å; E272-K274 PolarHBondContact O-N 2.72Å; E272-R275 WeakPolarHBondContact O-CB 3.39Å; E272-R275 PolarHBondContact O-N 2.91Å; E272-R275 IonicContact OE1-CZ 3.22Å; E272-R275 IonicContact OE1-NE 3.15Å; E272-R275 PolarHBondContact OE1-NE 3.31Å; E272-R275 VanDerWaalsContact OE1-NE 3.15Å; E272-R275 IonicContact OE1-NH2 2.65Å; E272-R275 PolarHBondContact OE1-NH2 3.34Å; E272-R275 IonicContact OE2-CZ 3Å; E272-R275 IonicContact OE2-NE 3.17Å; E272-R275 PolarHBondContact OE2-NE 3.5Å; E272-R275 IonicContact OE2-NH1 3.72Å; E272-R275 IonicContact OE2-NH2 2.92Å; E272-R275 PolarHBondContact OE2-NH2 3.16Å; E272-I276 HydrophobicContact CG-CD1 4.09Å; E272-I276 PolarHBondContact O-N 3.45Å; E272-I276 VanDerWaalsContact OE1-CD1 3.31Å; E272-I276 WeakPolarHBondContact OE1-CD1 3.48Å |
| 273 | V | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.5 | -40.8 | 174.9 | 165.5 | 0 | 0 | 0 | 0 | 110.7 | L232 L246 L269 R275 I276 Y277 L285 L286 L289 | L232-V273 HydrophobicContact CD1-CG2 4.37Å; L246-V273 HydrophobicContact CD1-CG2 4.35Å; L269-V273 HydrophobicContact CD1-CG2 3.98Å; L269-V273 HydrophobicContact CG-CG2 4.31Å; L269-V273 WeakPolarHBondContact O-CB 3.44Å; L269-V273 VanDerWaalsContact O-CG2 3.3Å; L269-V273 WeakPolarHBondContact O-CG2 3.19Å; L269-V273 PolarHBondContact O-N 3.29Å; V273-R275 VanDerWaalsContact C-N 3.28Å; V273-R275 PolarHBondContact O-N 3.14Å; V273-I276 PolarHBondContact O-N 3.19Å; V273-Y277 HydrophobicContact CG1-CD2 3.94Å; V273-Y277 WeakPolarHBondContact O-CB 3.48Å; V273-Y277 WeakPolarHBondContact O-CD2 3.47Å; V273-Y277 PolarHBondContact O-N 2.85Å; V273-L285 HydrophobicContact CG1-CB 3.93Å; V273-L285 HydrophobicContact CG1-CD1 4.07Å; V273-L286 HydrophobicContact CG1-CD2 4.49Å; V273-L289 HydrophobicContact CB-CD1 4.4Å; V273-L289 HydrophobicContact CG1-CD1 4.43Å; V273-L289 HydrophobicContact CG2-CD1 4.31Å |
| 274 | K | 95.3 | Very high | 95.9 | Very high | 132 Ų | 132 | 63.8 Ų | 63.8 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.9 | -25 | 176.5 | -166.3 | -178.7 | -175.7 | -171.5 | 0 | 113.3 | S270 D271 E272 Y277 L286 | S270-K274 WeakPolarHBondContact O-CB 3.46Å; S270-K274 PolarHBondContact O-N 2.91Å; S270-K274 VanDerWaalsContact O-N 3.07Å; D271-K274 PolarHBondContact O-N 3.12Å; E272-K274 VanDerWaalsContact C-N 3.26Å; E272-K274 PolarHBondContact O-N 2.72Å; K274-Y277 CarbonylContact C-O 3.58Å; K274-L286 HydrophobicContact CB-CD1 4.16Å; K274-L286 HydrophobicContact CB-CD2 4.44Å; K274-L286 HydrophobicContact CD-CD1 4.12Å; K274-L286 HydrophobicContact CG-CD1 4.08Å |
| 275 | R | 95.6 | Very high | 95.8 | Very high | 165 Ų | 165 | 58.9 Ų | 58.9 | 62% | 0.623 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -76 | -38.8 | 175.9 | -175.1 | 175.5 | 73.8 | 170.7 | 8.4 | 111.7 | D271 E272 V273 | D271-R275 PolarHBondContact O-N 3.33Å; E272-R275 WeakPolarHBondContact O-CB 3.39Å; E272-R275 PolarHBondContact O-N 2.91Å; E272-R275 IonicContact OE1-CZ 3.22Å; E272-R275 IonicContact OE1-NE 3.15Å; E272-R275 PolarHBondContact OE1-NE 3.31Å; E272-R275 VanDerWaalsContact OE1-NE 3.15Å; E272-R275 IonicContact OE1-NH2 2.65Å; E272-R275 PolarHBondContact OE1-NH2 3.34Å; E272-R275 IonicContact OE2-CZ 3Å; E272-R275 IonicContact OE2-NE 3.17Å; E272-R275 PolarHBondContact OE2-NE 3.5Å; E272-R275 IonicContact OE2-NH1 3.72Å; E272-R275 IonicContact OE2-NH2 2.92Å; E272-R275 PolarHBondContact OE2-NH2 3.16Å; V273-R275 VanDerWaalsContact C-N 3.28Å; V273-R275 PolarHBondContact O-N 3.14Å |
| 276 | I | 95.7 | Very high | 95.6 | Very high | 40 Ų | 40 | 56.9 Ų | 56.9 | 21% | 0.205 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -83.6 | -43.1 | -175.7 | -71 | 169.2 | 0 | 0 | 0 | 111.8 | L232 I237 E272 V273 | L232-I276 HydrophobicContact CB-CD1 3.6Å; L232-I276 HydrophobicContact CD1-CD1 4.46Å; L232-I276 HydrophobicContact CD2-CD1 3.7Å; L232-I276 HydrophobicContact CG-CD1 4.09Å; L232-I276 WeakPolarHBondContact O-CD1 3.39Å; I237-I276 HydrophobicContact CD1-CD1 4.24Å; I237-I276 HydrophobicContact CD1-CG2 3.6Å; E272-I276 HydrophobicContact CG-CD1 4.09Å; E272-I276 PolarHBondContact O-N 3.45Å; E272-I276 VanDerWaalsContact OE1-CD1 3.31Å; E272-I276 WeakPolarHBondContact OE1-CD1 3.48Å; V273-I276 PolarHBondContact O-N 3.19Å |
| 277 | Y | 95 | Very high | 95.4 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 6% | 0.059 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -104.7 | 157.2 | -178.4 | -56 | -72 | 0 | 0 | 0 | 111.1 | L232 V239 V242 V273 K274 Y281 A282 L285 | L232-Y277 HydrophobicContact CD2-CE2 3.94Å; V239-Y277 HydrophobicContact CB-CE1 4.34Å; V239-Y277 HydrophobicContact CG1-CE1 3.72Å; V239-Y277 HydrophobicContact CG2-CE1 3.96Å; V242-Y277 HydrophobicContact CG1-CE2 4.08Å; V273-Y277 HydrophobicContact CG1-CD2 3.94Å; V273-Y277 WeakPolarHBondContact O-CB 3.48Å; V273-Y277 WeakPolarHBondContact O-CD2 3.47Å; V273-Y277 PolarHBondContact O-N 2.85Å; K274-Y277 CarbonylContact C-O 3.58Å; Y277-Y281 AromaticContact CD1-CD1 3.98Å; Y277-Y281 HydrophobicContact CD1-CD1 3.98Å; Y277-Y281 AromaticContact CD1-CE1 3.66Å; Y277-Y281 HydrophobicContact CD1-CE1 3.66Å; Y277-Y281 HydrophobicContact CE1-CE1 4.03Å; Y277-Y281 HydrophobicContact CG-CD1 4.18Å; Y277-Y281 HydrophobicContact CG-CE1 4.03Å; Y277-A282 WeakPolarHBondContact O-CB 3.23Å; Y277-L285 HydrophobicContact CD2-CD1 3.89Å; Y277-L285 HydrophobicContact CE2-CD1 4.16Å; Y277-L285 HydrophobicContact CG-CD1 4.25Å |
| 278 | Y | 92.9 | Very high | 95.1 | Very high | 199 Ų | 199 | 55.5 Ų | 55.5 | 78% | 0.78 | 26% | 0.263 | S | S | * | . | trans | -136.2 | 164.1 | -175.8 | 40.3 | -91.5 | 0 | 0 | 0 | 112.8 | A282 | Y278-A282 PolarHBondContact O-N 3.11Š| ||
| 279 | G | 93.4 | Very high | 94.7 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 53% | 0.526 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | 63.8 | -153.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y281 A282 D283 | G279-Y281 PolarHBondContact O-N 2.95Å; G279-Y281 VanDerWaalsContact O-N 3.11Å; G279-A282 PolarHBondContact O-N 3.16Å; G279-A282 VanDerWaalsContact O-N 3.12Å; G279-D283 PolarHBondContact O-N 3.44Å; G279-D283 VanDerWaalsContact O-N 3.1Å |
| 280 | E | 92.8 | Very high | 93.9 | Very high | 145 Ų | 145 | 60 Ų | 60 | 68% | 0.678 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -58.4 | -28 | -175.6 | -61 | -173.9 | 163.4 | 0 | 0 | 113.3 | M41 A284 | M41-E280 HydrophobicContact CE-CB 4.43Å; M41-E280 HydrophobicContact SD-CB 4.41Å; E280-A284 WeakPolarHBondContact O-CB 3.31Å; E280-A284 PolarHBondContact O-N 3.14Å |
| 281 | Y | 94.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.5 | -48.7 | 176.8 | -176.9 | -110.3 | 0 | 0 | 0 | 112 | L40 M41 L44 V239 Q243 Y277 G279 D283 A284 L285 | L40-Y281 HydrophobicContact CB-CD1 4.34Å; L40-Y281 HydrophobicContact CB-CD2 3.7Å; L40-Y281 HydrophobicContact CB-CE1 4.45Å; L40-Y281 HydrophobicContact CB-CE2 3.82Å; L40-Y281 HydrophobicContact CB-CG 3.96Å; L40-Y281 HydrophobicContact CD1-CD1 3.97Å; L40-Y281 HydrophobicContact CD1-CE1 4.07Å; L40-Y281 HydrophobicContact CD1-CG 4.33Å; M41-Y281 VanDerWaalsContact SD-CA 3.51Å; M41-Y281 HydrophobicContact SD-CD2 4.04Å; L44-Y281 HydrophobicContact CB-CE2 4.22Å; L44-Y281 HydrophobicContact CD2-CD2 4.4Å; L44-Y281 HydrophobicContact CD2-CE2 4.28Å; V239-Y281 HydrophobicContact CG1-CE1 4.14Å; Q243-Y281 PolarHBondContact OE1-OH 3.49Å; Y277-Y281 AromaticContact CD1-CD1 3.98Å; Y277-Y281 HydrophobicContact CD1-CD1 3.98Å; Y277-Y281 AromaticContact CD1-CE1 3.66Å; Y277-Y281 HydrophobicContact CD1-CE1 3.66Å; Y277-Y281 HydrophobicContact CE1-CE1 4.03Å; Y277-Y281 HydrophobicContact CG-CD1 4.18Å; Y277-Y281 HydrophobicContact CG-CE1 4.03Å; G279-Y281 PolarHBondContact O-N 2.95Å; G279-Y281 VanDerWaalsContact O-N 3.11Å; Y281-D283 VanDerWaalsContact C-N 3.31Å; Y281-D283 PolarHBondContact O-N 3.38Å; Y281-A284 WeakPolarHBondContact O-CB 3.28Å; Y281-A284 PolarHBondContact O-N 3.32Å; Y281-A284 VanDerWaalsContact O-N 3.16Å; Y281-L285 HydrophobicContact CD1-CD1 4.15Å; Y281-L285 HydrophobicContact CE1-CD1 3.54Å; Y281-L285 HydrophobicContact CE1-CG 4.19Å; Y281-L285 HydrophobicContact CE2-CD2 4.4Å; Y281-L285 HydrophobicContact CE2-CG 4.42Å; Y281-L285 WeakPolarHBondContact O-CG 3.01Å; Y281-L285 PolarHBondContact O-N 3.12Å |
| 282 | A | 95.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 3% | 0.033 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y277 Y278 G279 A284 L285 L286 | Y277-A282 WeakPolarHBondContact O-CB 3.23Å; Y278-A282 PolarHBondContact O-N 3.11Å; G279-A282 PolarHBondContact O-N 3.16Å; G279-A282 VanDerWaalsContact O-N 3.12Å; A282-A284 VanDerWaalsContact C-N 3.25Å; A282-A284 PolarHBondContact O-N 3.35Å; A282-L285 PolarHBondContact O-N 3.41Å; A282-L286 WeakPolarHBondContact O-CB 3.29Å; A282-L286 WeakPolarHBondContact O-CG 3.44Å; A282-L286 PolarHBondContact O-N 2.94Å |
| 283 | D | 94.7 | Very high | 92.1 | Very high | 91 Ų | 91 | 65.6 Ų | 65.6 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61 | -34.8 | 177.7 | -72.1 | -23 | 0 | 0 | 0 | 112.7 | G279 Y281 K287 | G279-D283 PolarHBondContact O-N 3.44Å; G279-D283 VanDerWaalsContact O-N 3.1Å; Y281-D283 VanDerWaalsContact C-N 3.31Å; Y281-D283 PolarHBondContact O-N 3.38Å; D283-K287 WeakPolarHBondContact O-CG 3.45Å; D283-K287 PolarHBondContact O-N 3.46Å |
| 284 | A | 94.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 69.3 Ų | 69.3 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.9 | -47 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 M41 L44 E280 Y281 A282 L286 K287 L288 | L7-A284 HydrophobicContact CD1-CB 3.78Å; L7-A284 HydrophobicContact CD2-CB 4.22Å; M41-A284 HydrophobicContact CE-CB 4.3Å; M41-A284 HydrophobicContact SD-CB 4.08Å; L44-A284 HydrophobicContact CD2-CB 3.52Å; E280-A284 WeakPolarHBondContact O-CB 3.31Å; E280-A284 PolarHBondContact O-N 3.14Å; Y281-A284 WeakPolarHBondContact O-CB 3.28Å; Y281-A284 PolarHBondContact O-N 3.32Å; Y281-A284 VanDerWaalsContact O-N 3.16Å; A282-A284 VanDerWaalsContact C-N 3.25Å; A282-A284 PolarHBondContact O-N 3.35Å; A284-L286 VanDerWaalsContact C-N 3.32Å; A284-L286 PolarHBondContact O-N 3.25Å; A284-K287 WeakPolarHBondContact O-CB 3.22Å; A284-K287 PolarHBondContact O-N 2.94Å; A284-K287 VanDerWaalsContact O-N 3.14Å; A284-L288 PolarHBondContact O-N 3.05Å |
| 285 | L | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 175.8 | -64.6 | -175.8 | 0 | 0 | 0 | 112 | L44 Q243 L246 V273 Y277 Y281 A282 K287 L288 L289 | L44-L285 HydrophobicContact CD2-CD2 4.37Å; Q243-L285 HydrophobicContact CG-CD2 4.27Å; L246-L285 HydrophobicContact CD1-CB 4.24Å; L246-L285 HydrophobicContact CD1-CD1 4.28Å; L246-L285 HydrophobicContact CD1-CD2 4.18Å; L246-L285 HydrophobicContact CD1-CG 4.47Å; V273-L285 HydrophobicContact CG1-CB 3.93Å; V273-L285 HydrophobicContact CG1-CD1 4.07Å; Y277-L285 HydrophobicContact CD2-CD1 3.89Å; Y277-L285 HydrophobicContact CE2-CD1 4.16Å; Y277-L285 HydrophobicContact CG-CD1 4.25Å; Y281-L285 HydrophobicContact CD1-CD1 4.15Å; Y281-L285 HydrophobicContact CE1-CD1 3.54Å; Y281-L285 HydrophobicContact CE1-CG 4.19Å; Y281-L285 HydrophobicContact CE2-CD2 4.4Å; Y281-L285 HydrophobicContact CE2-CG 4.42Å; Y281-L285 WeakPolarHBondContact O-CG 3.01Å; Y281-L285 PolarHBondContact O-N 3.12Å; A282-L285 PolarHBondContact O-N 3.41Å; L285-K287 PolarHBondContact O-N 3.33Å; L285-L288 HydrophobicContact CD2-CD1 4.26Å; L285-L288 WeakPolarHBondContact O-CB 3.45Å; L285-L288 PolarHBondContact O-N 3.21Å; L285-L288 VanDerWaalsContact O-N 3.11Å; L285-L289 PolarHBondContact O-N 3.09Å |
| 286 | L | 94.8 | Very high | 91.4 | Very high | 18 Ų | 18 | 59.4 Ų | 59.4 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -26.1 | 176.5 | -70.6 | 175.4 | 0 | 0 | 0 | 113.3 | S270 V273 K274 A282 A284 L289 K290 | S270-L286 VanDerWaalsContact O-CD2 3.22Å; S270-L286 WeakPolarHBondContact O-CD2 3.45Å; V273-L286 HydrophobicContact CG1-CD2 4.49Å; K274-L286 HydrophobicContact CB-CD1 4.16Å; K274-L286 HydrophobicContact CB-CD2 4.44Å; K274-L286 HydrophobicContact CD-CD1 4.12Å; K274-L286 HydrophobicContact CG-CD1 4.08Å; A282-L286 WeakPolarHBondContact O-CB 3.29Å; A282-L286 WeakPolarHBondContact O-CG 3.44Å; A282-L286 PolarHBondContact O-N 2.94Å; A284-L286 VanDerWaalsContact C-N 3.32Å; A284-L286 PolarHBondContact O-N 3.25Å; L286-L289 HydrophobicContact CD2-CD1 4.14Å; L286-L289 PolarHBondContact O-N 3.49Å; L286-K290 WeakPolarHBondContact O-CG 3.49Å; L286-K290 PolarHBondContact O-N 2.94Å |
| 287 | K | 93.9 | Very high | 91.2 | Very high | 88 Ų | 88 | 60.7 Ų | 60.7 | 38% | 0.383 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.1 | -35.8 | 173.1 | -77.2 | 172.9 | 178.5 | 177.7 | 0 | 112.1 | L7 D283 A284 L285 L289 K290 | L7-K287 HydrophobicContact CB-CB 4.5Å; L7-K287 HydrophobicContact CB-CD 4.43Å; L7-K287 HydrophobicContact CD1-CD 3.95Å; D283-K287 WeakPolarHBondContact O-CG 3.45Å; D283-K287 PolarHBondContact O-N 3.46Å; A284-K287 WeakPolarHBondContact O-CB 3.22Å; A284-K287 PolarHBondContact O-N 2.94Å; A284-K287 VanDerWaalsContact O-N 3.14Å; L285-K287 PolarHBondContact O-N 3.33Å; K287-L289 VanDerWaalsContact C-N 3.27Å; K287-L289 PolarHBondContact O-N 2.98Å; K287-K290 PolarHBondContact O-N 3.07Å |
| 288 | L | 92.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 175 | -58.4 | 175.6 | 0 | 0 | 0 | 111.4 | L7 L246 L247 L254 A284 L285 K290 | L7-L288 HydrophobicContact CD2-CD2 3.92Å; L7-L288 HydrophobicContact CD2-CG 4.22Å; L246-L288 HydrophobicContact CB-CD1 4.41Å; L247-L288 HydrophobicContact CD2-CD1 3.57Å; L247-L288 HydrophobicContact CD2-CD2 3.9Å; L247-L288 HydrophobicContact CD2-CG 4.4Å; L247-L288 HydrophobicContact CG-CD1 3.99Å; L254-L288 HydrophobicContact CD2-CB 4.41Å; A284-L288 PolarHBondContact O-N 3.05Å; L285-L288 HydrophobicContact CD2-CD1 4.26Å; L285-L288 WeakPolarHBondContact O-CB 3.45Å; L285-L288 PolarHBondContact O-N 3.21Å; L285-L288 VanDerWaalsContact O-N 3.11Å; L288-K290 VanDerWaalsContact C-N 3.3Å; L288-K290 PolarHBondContact O-N 3.32Å |
| 289 | L | 88.6 | Confident | 90.7 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.9 | 179.9 | -76.9 | 151.9 | 0 | 0 | 0 | 114.7 | L246 L254 D258 L269 V273 L285 L286 K287 | L246-L289 HydrophobicContact CD2-CD2 4.23Å; L246-L289 HydrophobicContact CD2-CG 4.45Å; L254-L289 HydrophobicContact CD1-CD2 3.77Å; L254-L289 HydrophobicContact CD2-CD2 3.93Å; L254-L289 HydrophobicContact CD2-CG 4Å; L254-L289 HydrophobicContact CG-CD2 3.71Å; L254-L289 HydrophobicContact CG-CG 4.32Å; D258-L289 HydrophobicContact CB-CD2 4.42Å; L269-L289 HydrophobicContact CD2-CD2 3.87Å; L269-L289 HydrophobicContact CG-CD2 4.07Å; V273-L289 HydrophobicContact CB-CD1 4.4Å; V273-L289 HydrophobicContact CG1-CD1 4.43Å; V273-L289 HydrophobicContact CG2-CD1 4.31Å; L285-L289 PolarHBondContact O-N 3.09Å; L286-L289 HydrophobicContact CD2-CD1 4.14Å; L286-L289 PolarHBondContact O-N 3.49Å; K287-L289 VanDerWaalsContact C-N 3.27Å; K287-L289 PolarHBondContact O-N 2.98Å |
| 290 | K | 80.3 | Confident | 90.5 | Very high | 173 Ų | 173 | 53.8 Ų | 53.8 | 75% | 0.752 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -0.8 | -177.5 | -72.3 | 176.7 | -177 | -178.4 | 0 | 113.8 | L286 K287 L288 | L286-K290 WeakPolarHBondContact O-CG 3.49Å; L286-K290 PolarHBondContact O-N 2.94Å; K287-K290 PolarHBondContact O-N 3.07Å; L288-K290 VanDerWaalsContact C-N 3.3Å; L288-K290 PolarHBondContact O-N 3.32Å |
| 291 | K | 68 | Low | 90.3 | Very high | 106 Ų | 106 | 45.5 Ų | 45.5 | 46% | 0.461 | 21% | 0.21 | S | C | . | . | trans | -77.6 | 0 | 176.1 | -161.1 | 175.7 | -176.5 | -179.5 | 0 | 110.3 | S9 | S9-K291 PolarHBondContact O-NZ 3.21Š|
Retrieved 291 of 291 residues in 73.9 ms
(Link to these results)