| 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 | 86.7 | Confident | 94 | Very high | 131 Ų | 131 | 66.4 Ų | 66.4 | 65% | 0.645 | 35% | 0.353 | S | S | * | . | 0 | -59.2 | 0 | -165.4 | 173.2 | 72.4 | 0 | 0 | 112.8 | F3 N4 I5 | M1-F3 VanDerWaalsContact C-N 3.3Å; M1-F3 PolarHBondContact O-N 3.41Å; M1-N4 PolarHBondContact O-N 3.18Å; M1-I5 HydrophobicContact CE-CD1 4.48Å; M1-I5 HydrophobicContact CG-CD1 3.95Å; M1-I5 HydrophobicContact CG-CG1 4.45Å; M1-I5 PolarHBondContact O-N 3.48Å; M1-I5 VanDerWaalsContact O-N 3.14Å | |||
| 2 | I | 91.3 | Very high | 94.3 | Very high | 127 Ų | 127 | 67.5 Ų | 67.5 | 65% | 0.651 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -50.1 | -47.7 | -177.1 | -63.1 | 171.1 | 0 | 0 | 0 | 112.4 | N4 I5 L6 | I2-N4 PolarHBondContact O-N 2.96Å; I2-I5 PolarHBondContact O-N 3.15Å; I2-I5 VanDerWaalsContact O-N 3.13Å; I2-L6 HydrophobicContact CG2-CD1 4.14Å; I2-L6 HydrophobicContact CG2-CG 4.36Å; I2-L6 WeakPolarHBondContact O-CG 3.38Å; I2-L6 PolarHBondContact O-N 2.98Å |
| 3 | F | 90.2 | Very high | 94.6 | Very high | 60 Ų | 60 | 65.8 Ų | 65.8 | 26% | 0.263 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.2 | -44.8 | 177.6 | -179.2 | -110.1 | 0 | 0 | 0 | 113.6 | M1 I5 L6 I7 L189 C193 | M1-F3 VanDerWaalsContact C-N 3.3Å; M1-F3 PolarHBondContact O-N 3.41Å; F3-I5 PolarHBondContact O-N 3.12Å; F3-L6 PolarHBondContact O-N 3.43Å; F3-I7 HydrophobicContact CD1-CD1 3.75Å; F3-I7 HydrophobicContact CE1-CD1 3.28Å; F3-I7 HydrophobicContact CE1-CG1 4.36Å; F3-I7 HydrophobicContact CE2-CD1 4.18Å; F3-I7 HydrophobicContact CG-CD1 4.39Å; F3-I7 HydrophobicContact CZ-CD1 3.53Å; F3-I7 HydrophobicContact CZ-CG1 4.31Å; F3-I7 WeakPolarHBondContact O-CG1 3.43Å; F3-I7 PolarHBondContact O-N 3.33Å; F3-L189 HydrophobicContact CE2-CB 4.44Å; F3-L189 HydrophobicContact CE2-CD1 4.26Å; F3-L189 HydrophobicContact CZ-CB 4.35Å; F3-C193 VanDerWaalsContact CD1-SG 3.59Å |
| 4 | N | 92.7 | Very high | 94.9 | Very high | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.032 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.1 | -34.1 | 178.3 | -68.1 | -41.1 | 0 | 0 | 0 | 112.4 | M1 I2 I7 F8 G54 G57 V58 Y72 | M1-N4 PolarHBondContact O-N 3.18Å; I2-N4 PolarHBondContact O-N 2.96Å; N4-I7 PolarHBondContact O-N 3.37Å; N4-F8 WeakPolarHBondContact O-CB 3.36Å; N4-F8 PolarHBondContact O-N 3.35Å; N4-G54 WeakPolarHBondContact O-CA 3.36Å; N4-G57 PolarHBondContact ND2-O 3.37Å; N4-V58 HydrophobicContact CB-CG2 3.73Å; N4-Y72 PolarHBondContact OD1-OH 3.11Å |
| 5 | I | 94.6 | Very high | 95.1 | Very high | 80 Ų | 80 | 62.5 Ų | 62.5 | 41% | 0.41 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 173.4 | -64 | 172.5 | 0 | 0 | 0 | 110.6 | M1 I2 F3 F8 A9 V58 | M1-I5 HydrophobicContact CE-CD1 4.48Å; M1-I5 HydrophobicContact CG-CD1 3.95Å; M1-I5 HydrophobicContact CG-CG1 4.45Å; M1-I5 PolarHBondContact O-N 3.48Å; M1-I5 VanDerWaalsContact O-N 3.14Å; I2-I5 PolarHBondContact O-N 3.15Å; I2-I5 VanDerWaalsContact O-N 3.13Å; F3-I5 PolarHBondContact O-N 3.12Å; I5-F8 PolarHBondContact O-N 3.47Å; I5-A9 WeakPolarHBondContact O-CB 3.16Å; I5-A9 PolarHBondContact O-N 3.32Å; I5-V58 HydrophobicContact CG1-CG2 3.94Å |
| 6 | L | 95.3 | Very high | 95.3 | Very high | 111 Ų | 111 | 63.1 Ų | 63.1 | 58% | 0.581 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 175.6 | -67.6 | 175.6 | 0 | 0 | 0 | 111.9 | I2 F3 F8 A9 C10 | I2-L6 HydrophobicContact CG2-CD1 4.14Å; I2-L6 HydrophobicContact CG2-CG 4.36Å; I2-L6 WeakPolarHBondContact O-CG 3.38Å; I2-L6 PolarHBondContact O-N 2.98Å; F3-L6 PolarHBondContact O-N 3.43Å; L6-F8 VanDerWaalsContact C-N 3.34Å; L6-A9 PolarHBondContact O-N 2.62Å; L6-C10 VanDerWaalsContact O-CB 3.3Å; L6-C10 WeakPolarHBondContact O-CB 3.48Å; L6-C10 PolarHBondContact O-N 2.92Å |
| 7 | I | 94.9 | Very high | 95.3 | Very high | 26 Ų | 26 | 65.2 Ų | 65.2 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 173.8 | -71.2 | 172.9 | 0 | 0 | 0 | 110.5 | F3 N4 C10 G11 L50 L53 | F3-I7 HydrophobicContact CD1-CD1 3.75Å; F3-I7 HydrophobicContact CE1-CD1 3.28Å; F3-I7 HydrophobicContact CE1-CG1 4.36Å; F3-I7 HydrophobicContact CE2-CD1 4.18Å; F3-I7 HydrophobicContact CG-CD1 4.39Å; F3-I7 HydrophobicContact CZ-CD1 3.53Å; F3-I7 HydrophobicContact CZ-CG1 4.31Å; F3-I7 WeakPolarHBondContact O-CG1 3.43Å; F3-I7 PolarHBondContact O-N 3.33Å; N4-I7 PolarHBondContact O-N 3.37Å; I7-C10 WeakPolarHBondContact O-CB 3.45Å; I7-C10 PolarHBondContact O-N 3.15Å; I7-G11 PolarHBondContact O-N 3.47Å; I7-L50 HydrophobicContact CG2-CB 4.06Å; I7-L50 HydrophobicContact CG2-CD2 4.27Å; I7-L50 VanDerWaalsContact CG2-O 3.3Å; I7-L50 WeakPolarHBondContact CG2-O 3.46Å; I7-L53 HydrophobicContact CG2-CB 4.43Å |
| 8 | F | 95.9 | Very high | 95.3 | Very high | 78 Ų | 78 | 61.6 Ų | 61.6 | 34% | 0.342 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.2 | -49.1 | 177 | -176.1 | -92.5 | 0 | 0 | 0 | 111.2 | N4 I5 L6 C10 G11 I12 L51 F55 | N4-F8 WeakPolarHBondContact O-CB 3.36Å; N4-F8 PolarHBondContact O-N 3.35Å; I5-F8 PolarHBondContact O-N 3.47Å; L6-F8 VanDerWaalsContact C-N 3.34Å; F8-C10 VanDerWaalsContact C-N 3.33Å; F8-C10 PolarHBondContact O-N 3.01Å; F8-G11 PolarHBondContact O-N 3.24Å; F8-I12 HydrophobicContact CD1-CD1 4.17Å; F8-I12 HydrophobicContact CE1-CD1 3.63Å; F8-I12 HydrophobicContact CE1-CG1 4.34Å; F8-I12 HydrophobicContact CZ-CD1 4.25Å; F8-I12 PolarHBondContact O-N 3.19Å; F8-L51 HydrophobicContact CD1-CD2 4.42Å; F8-L51 HydrophobicContact CD2-CD2 3.79Å; F8-L51 HydrophobicContact CE1-CD2 4.43Å; F8-L51 HydrophobicContact CE2-CD2 3.77Å; F8-L51 HydrophobicContact CG-CD2 4.12Å; F8-L51 HydrophobicContact CZ-CD2 4.11Å; F8-L51 WeakPolarHBondContact O-CD2 3.17Å; F8-F55 HydrophobicContact CD2-CB 4.26Å; F8-F55 HydrophobicContact CE2-CB 4.25Å |
| 9 | A | 97.1 | Very high | 95.3 | Very high | 52 Ų | 52 | 60.5 Ų | 60.5 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I5 L6 I12 A13 | I5-A9 WeakPolarHBondContact O-CB 3.16Å; I5-A9 PolarHBondContact O-N 3.32Å; L6-A9 PolarHBondContact O-N 2.62Å; A9-I12 PolarHBondContact O-N 2.93Å; A9-A13 PolarHBondContact O-N 3.28Å |
| 10 | C | 96.7 | Very high | 95.2 | Very high | 59 Ų | 59 | 63.1 Ų | 63.1 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 175.1 | -172.4 | 0 | 0 | 0 | 0 | 111.7 | L6 I7 F8 I12 A13 L14 | L6-C10 VanDerWaalsContact O-CB 3.3Å; L6-C10 WeakPolarHBondContact O-CB 3.48Å; L6-C10 PolarHBondContact O-N 2.92Å; I7-C10 WeakPolarHBondContact O-CB 3.45Å; I7-C10 PolarHBondContact O-N 3.15Å; F8-C10 VanDerWaalsContact C-N 3.33Å; F8-C10 PolarHBondContact O-N 3.01Å; C10-I12 PolarHBondContact O-N 2.89Å; C10-A13 PolarHBondContact O-N 3.31Å; C10-L14 WeakPolarHBondContact O-CG 3.38Å; C10-L14 PolarHBondContact O-N 2.83Å |
| 11 | G | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.5 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I7 F8 A13 L14 I15 G47 | I7-G11 PolarHBondContact O-N 3.47Å; F8-G11 PolarHBondContact O-N 3.24Å; G11-A13 PolarHBondContact O-N 3.04Å; G11-L14 PolarHBondContact O-N 3.28Å; G11-I15 WeakPolarHBondContact O-CD1 3.47Å; G11-I15 WeakPolarHBondContact O-CG1 3.49Å; G11-I15 PolarHBondContact O-N 3.36Å; G11-I15 VanDerWaalsContact O-N 3.13Å; G11-G47 WeakPolarHBondContact CA-O 3.48Å |
| 12 | I | 98.2 | Very high | 95 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 41% | 0.41 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 175.8 | -60.5 | -175 | 0 | 0 | 0 | 109.8 | F8 A9 C10 L14 I15 V16 L51 | F8-I12 HydrophobicContact CD1-CD1 4.17Å; F8-I12 HydrophobicContact CE1-CD1 3.63Å; F8-I12 HydrophobicContact CE1-CG1 4.34Å; F8-I12 HydrophobicContact CZ-CD1 4.25Å; F8-I12 PolarHBondContact O-N 3.19Å; A9-I12 PolarHBondContact O-N 2.93Å; C10-I12 PolarHBondContact O-N 2.89Å; I12-L14 VanDerWaalsContact C-N 3.35Å; I12-L14 PolarHBondContact O-N 3.39Å; I12-I15 PolarHBondContact O-N 3.21Å; I12-V16 HydrophobicContact CG2-CG2 4.24Å; I12-V16 WeakPolarHBondContact O-CG2 3.43Å; I12-V16 PolarHBondContact O-N 2.98Å; I12-L51 HydrophobicContact CB-CD2 4.39Å; I12-L51 HydrophobicContact CD1-CD2 4.33Å; I12-L51 HydrophobicContact CG1-CD1 4.49Å; I12-L51 HydrophobicContact CG1-CD2 3.37Å; I12-L51 HydrophobicContact CG1-CG 4.43Å |
| 13 | A | 98.2 | Very high | 94.9 | Very high | 46 Ų | 46 | 59.2 Ų | 59.2 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | A9 C10 G11 V16 I17 | A9-A13 PolarHBondContact O-N 3.28Å; C10-A13 PolarHBondContact O-N 3.31Å; G11-A13 PolarHBondContact O-N 3.04Å; A13-V16 PolarHBondContact O-N 3.2Å; A13-I17 WeakPolarHBondContact O-CB 3.2Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.49Å; A13-I17 PolarHBondContact O-N 3.13Å |
| 14 | L | 98.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 58 Ų | 58 | 23% | 0.225 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 178.1 | -70.3 | -178.5 | 0 | 0 | 0 | 112.7 | C10 G11 I12 G18 V43 F46 L50 | C10-L14 WeakPolarHBondContact O-CG 3.38Å; C10-L14 PolarHBondContact O-N 2.83Å; G11-L14 PolarHBondContact O-N 3.28Å; I12-L14 VanDerWaalsContact C-N 3.35Å; I12-L14 PolarHBondContact O-N 3.39Å; L14-G18 PolarHBondContact O-N 2.88Å; L14-V43 HydrophobicContact CB-CG1 4.34Å; L14-V43 HydrophobicContact CD2-CG1 4.33Å; L14-F46 HydrophobicContact CD1-CD1 3.86Å; L14-F46 HydrophobicContact CD1-CE1 4.32Å; L14-L50 HydrophobicContact CD1-CD1 3.86Å |
| 15 | I | 98.1 | Very high | 94 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 20% | 0.2 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 176.9 | -68.4 | 161 | 0 | 0 | 0 | 110.7 | G11 I12 S19 L51 | G11-I15 WeakPolarHBondContact O-CD1 3.47Å; G11-I15 WeakPolarHBondContact O-CG1 3.49Å; G11-I15 PolarHBondContact O-N 3.36Å; G11-I15 VanDerWaalsContact O-N 3.13Å; I12-I15 PolarHBondContact O-N 3.21Å; I15-S19 VanDerWaalsContact O-CB 3.23Å; I15-S19 WeakPolarHBondContact O-CB 3.36Å; I15-S19 PolarHBondContact O-N 3.18Å; I15-S19 PolarHBondContact O-OG 2.89Å; I15-L51 HydrophobicContact CD1-CD1 3.2Å; I15-L51 HydrophobicContact CD1-CG 3.94Å |
| 16 | V | 98 | Very high | 93.4 | Very high | 71 Ų | 71 | 58.8 Ų | 58.8 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | I12 A13 S19 L20 | I12-V16 HydrophobicContact CG2-CG2 4.24Å; I12-V16 WeakPolarHBondContact O-CG2 3.43Å; I12-V16 PolarHBondContact O-N 2.98Å; A13-V16 PolarHBondContact O-N 3.2Å; V16-S19 PolarHBondContact O-OG 3.35Å; V16-L20 HydrophobicContact CG1-CD1 3.8Å; V16-L20 HydrophobicContact CG1-CG 4.37Å; V16-L20 WeakPolarHBondContact O-CB 3.11Å; V16-L20 WeakPolarHBondContact O-CG 3.38Å; V16-L20 PolarHBondContact O-N 3.24Å |
| 17 | I | 96.2 | Very high | 92.6 | Very high | 99 Ų | 99 | 59.4 Ų | 59.4 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -50 | 179 | -67.4 | 165.9 | 0 | 0 | 0 | 110.6 | A13 S19 L20 S21 | A13-I17 WeakPolarHBondContact O-CB 3.2Å; A13-I17 VanDerWaalsContact O-CG1 3.24Å; A13-I17 WeakPolarHBondContact O-CG1 3.49Å; A13-I17 PolarHBondContact O-N 3.13Å; I17-S19 PolarHBondContact O-N 2.97Å; I17-L20 PolarHBondContact O-N 3.42Å; I17-S21 WeakPolarHBondContact O-CB 3.31Å; I17-S21 PolarHBondContact O-N 2.83Å; I17-S21 PolarHBondContact O-OG 3.22Å; I17-S21 VanDerWaalsContact O-OG 3.08Å |
| 18 | G | 95.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L14 R22 | L14-G18 PolarHBondContact O-N 2.88Å; G18-R22 VanDerWaalsContact O-CB 3.29Å; G18-R22 WeakPolarHBondContact O-CB 3.31Å; G18-R22 PolarHBondContact O-N 3Å |
| 19 | S | 95.2 | Very high | 89.8 | Confident | 41 Ų | 41 | 62 Ų | 62 | 29% | 0.287 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.7 | -45.6 | 177.4 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | I15 V16 I17 S21 R22 I23 | I15-S19 VanDerWaalsContact O-CB 3.23Å; I15-S19 WeakPolarHBondContact O-CB 3.36Å; I15-S19 PolarHBondContact O-N 3.18Å; I15-S19 PolarHBondContact O-OG 2.89Å; V16-S19 PolarHBondContact O-OG 3.35Å; I17-S19 PolarHBondContact O-N 2.97Å; S19-S21 PolarHBondContact O-N 2.8Å; S19-R22 PolarHBondContact O-N 3.35Å; S19-I23 WeakPolarHBondContact O-CG1 3.23Å; S19-I23 PolarHBondContact O-N 3.34Å |
| 20 | L | 93 | Very high | 87.9 | Confident | 111 Ų | 111 | 66.1 Ų | 66.1 | 58% | 0.581 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.4 | -44.2 | 175.7 | -70.5 | 176.5 | 0 | 0 | 0 | 111.6 | V16 I17 R22 I23 A24 | V16-L20 HydrophobicContact CG1-CD1 3.8Å; V16-L20 HydrophobicContact CG1-CG 4.37Å; V16-L20 WeakPolarHBondContact O-CB 3.11Å; V16-L20 WeakPolarHBondContact O-CG 3.38Å; V16-L20 PolarHBondContact O-N 3.24Å; I17-L20 PolarHBondContact O-N 3.42Å; L20-R22 VanDerWaalsContact C-N 3.34Å; L20-R22 PolarHBondContact O-N 2.97Å; L20-I23 PolarHBondContact O-N 3.48Å; L20-A24 VanDerWaalsContact O-CB 3.32Å; L20-A24 WeakPolarHBondContact O-CB 3.42Å; L20-A24 PolarHBondContact O-N 2.89Å |
| 21 | S | 89.7 | Confident | 86.1 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 175.6 | -67.2 | 0 | 0 | 0 | 0 | 112.1 | I17 S19 A24 I25 | I17-S21 WeakPolarHBondContact O-CB 3.31Å; I17-S21 PolarHBondContact O-N 2.83Å; I17-S21 PolarHBondContact O-OG 3.22Å; I17-S21 VanDerWaalsContact O-OG 3.08Å; S19-S21 PolarHBondContact O-N 2.8Å; S21-A24 PolarHBondContact O-N 2.94Å; S21-I25 WeakPolarHBondContact O-CG1 3.26Å; S21-I25 PolarHBondContact O-N 3.42Å |
| 22 | R | 88.9 | Confident | 84.3 | Confident | 97 Ų | 97 | 73.7 Ų | 73.7 | 37% | 0.366 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 178.7 | -169 | 175.2 | -175.6 | -164.6 | -0.6 | 112.5 | G18 S19 L20 A24 I25 N26 L40 | G18-R22 VanDerWaalsContact O-CB 3.29Å; G18-R22 WeakPolarHBondContact O-CB 3.31Å; G18-R22 PolarHBondContact O-N 3Å; S19-R22 PolarHBondContact O-N 3.35Å; L20-R22 VanDerWaalsContact C-N 3.34Å; L20-R22 PolarHBondContact O-N 2.97Å; R22-A24 VanDerWaalsContact C-N 3.32Å; R22-I25 PolarHBondContact O-N 2.95Å; R22-N26 PolarHBondContact O-N 3.43Å; R22-L40 HydrophobicContact CB-CD1 3.98Å; R22-L40 HydrophobicContact CG-CD1 4.44Å |
| 23 | I | 87.8 | Confident | 83 | Confident | 98 Ų | 98 | 71 Ų | 71 | 50% | 0.503 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.1 | -66.7 | 165.7 | 0 | 0 | 0 | 110.2 | S19 L20 I25 N26 N27 | S19-I23 WeakPolarHBondContact O-CG1 3.23Å; S19-I23 PolarHBondContact O-N 3.34Å; L20-I23 PolarHBondContact O-N 3.48Å; I23-I25 VanDerWaalsContact C-N 3.35Å; I23-I25 PolarHBondContact O-N 3.45Å; I23-N26 PolarHBondContact O-N 2.96Å; I23-N27 PolarHBondContact O-N 3.21Å; I23-N27 VanDerWaalsContact O-N 3.13Å |
| 24 | A | 84.4 | Confident | 82 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 28% | 0.281 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L20 S21 R22 Y28 N117 | L20-A24 VanDerWaalsContact O-CB 3.32Å; L20-A24 WeakPolarHBondContact O-CB 3.42Å; L20-A24 PolarHBondContact O-N 2.89Å; S21-A24 PolarHBondContact O-N 2.94Å; R22-A24 VanDerWaalsContact C-N 3.32Å; A24-Y28 VanDerWaalsContact O-CD2 3.24Å; A24-Y28 WeakPolarHBondContact O-CD2 3.36Å; A24-N117 PolarHBondContact O-ND2 3.44Å |
| 25 | I | 80.2 | Confident | 81.2 | Confident | 18 Ų | 18 | 74 Ų | 74 | 9% | 0.092 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67.1 | -48.1 | 177.2 | -67.4 | -176.7 | 0 | 0 | 0 | 111.1 | S21 R22 I23 N27 Y28 S29 I36 L40 F118 | S21-I25 WeakPolarHBondContact O-CG1 3.26Å; S21-I25 PolarHBondContact O-N 3.42Å; R22-I25 PolarHBondContact O-N 2.95Å; I23-I25 VanDerWaalsContact C-N 3.35Å; I23-I25 PolarHBondContact O-N 3.45Å; I25-N27 VanDerWaalsContact C-N 3.28Å; I25-N27 PolarHBondContact O-N 2.91Å; I25-Y28 PolarHBondContact O-N 3.28Å; I25-Y28 VanDerWaalsContact O-N 3.16Å; I25-S29 WeakPolarHBondContact CG2-OG 3.35Å; I25-S29 PolarHBondContact O-N 3.44Å; I25-S29 PolarHBondContact O-OG 3.46Å; I25-I36 HydrophobicContact CD1-CG2 3.33Å; I25-L40 HydrophobicContact CD1-CD1 3.6Å; I25-L40 HydrophobicContact CG1-CD1 4.4Å; I25-F118 HydrophobicContact CD1-CE1 4.01Å; I25-F118 HydrophobicContact CD1-CZ 4.34Å; I25-F118 HydrophobicContact CG1-CE1 4.38Å; I25-F118 HydrophobicContact CG2-CZ 4.5Å |
| 26 | N | 81 | Confident | 80.5 | Confident | 84 Ų | 84 | 72.8 Ų | 72.8 | 45% | 0.449 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.3 | -32.2 | -176.8 | -75.3 | 3.1 | 0 | 0 | 0 | 114.3 | R22 I23 | R22-N26 PolarHBondContact O-N 3.43Å; I23-N26 PolarHBondContact O-N 2.96Å |
| 27 | N | 79.6 | Confident | 79.9 | Confident | 125 Ų | 125 | 69.7 Ų | 69.7 | 67% | 0.668 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -75.3 | -25 | -179.4 | -73.7 | -15.6 | 0 | 0 | 0 | 113.7 | I23 I25 | I23-N27 PolarHBondContact O-N 3.21Å; I23-N27 VanDerWaalsContact O-N 3.13Å; I25-N27 VanDerWaalsContact C-N 3.28Å; I25-N27 PolarHBondContact O-N 2.91Å |
| 28 | Y | 69.6 | Low | 79.5 | Confident | 145 Ų | 145 | 69 Ų | 69 | 57% | 0.569 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -109.5 | -23.2 | -172.6 | -73.4 | -80.4 | 0 | 0 | 0 | 113.9 | A24 I25 P116 N117 | A24-Y28 VanDerWaalsContact O-CD2 3.24Å; A24-Y28 WeakPolarHBondContact O-CD2 3.36Å; I25-Y28 PolarHBondContact O-N 3.28Å; I25-Y28 VanDerWaalsContact O-N 3.16Å; Y28-P116 HydrophobicContact CD1-CG 3.47Å; Y28-P116 VanDerWaalsContact CD1-CG 3.47Å; Y28-P116 HydrophobicContact CE1-CG 4.23Å; Y28-P116 HydrophobicContact CG-CG 3.88Å; Y28-N117 VanDerWaalsContact CD2-ND2 3.34Å; Y28-N117 WeakPolarHBondContact CD2-ND2 3.38Å |
| 29 | S | 62.6 | Low | 79.2 | Confident | 14 Ų | 14 | 73 Ų | 73 | 10% | 0.098 | 40% | 0.403 | C | S | . | . | trans | -117.1 | 115 | 175.1 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | I25 E31 N115 | I25-S29 WeakPolarHBondContact CG2-OG 3.35Å; I25-S29 PolarHBondContact O-N 3.44Å; I25-S29 PolarHBondContact O-OG 3.46Å; S29-E31 PolarHBondContact O-N 3.31Å; S29-N115 VanDerWaalsContact CB-ND2 3.34Å; S29-N115 WeakPolarHBondContact CB-ND2 3.5Å; S29-N115 PolarHBondContact OG-ND2 2.96Å | ||
| 30 | S | 57.6 | Low | 79 | Confident | 138 Ų | 138 | 71.7 Ų | 71.7 | 97% | 0.965 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -68.1 | -18.8 | 164.9 | -44.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 31 | E | 57.8 | Low | 79.1 | Confident | 106 Ų | 106 | 69.8 Ų | 69.8 | 50% | 0.495 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -91 | 113.5 | 176.7 | -129.1 | 166.4 | 154.9 | 0 | 0 | 110.2 | S29 D33 K114 | S29-E31 PolarHBondContact O-N 3.31Å; E31-D33 PolarHBondContact O-N 2.88Å; E31-D33 VanDerWaalsContact O-N 3.11Å; E31-K114 IonicContact OE1-NZ 2.73Å; E31-K114 PolarHBondContact OE1-NZ 3.2Å; E31-K114 IonicContact OE2-NZ 2.78Å; E31-K114 PolarHBondContact OE2-NZ 3.22Å |
| 32 | N | 60.5 | Low | 79.3 | Confident | 112 Ų | 112 | 74 Ų | 74 | 60% | 0.599 | 40% | 0.395 | S | S | * | . | trans | -78.8 | 87 | -179.6 | -176.9 | 86.6 | 0 | 0 | 0 | 109.2 | S34 N37 | N32-S34 PolarHBondContact O-N 2.93Å; N32-N37 VanDerWaalsContact CG-ND2 3.27Å; N32-N37 PolarHBondContact OD1-ND2 3.38Å | ||
| 33 | D | 70.1 | Confident | 79.7 | Confident | 24 Ų | 24 | 71 Ų | 71 | 13% | 0.128 | 39% | 0.387 | C | S | . | . | trans | -59.8 | 110.4 | 169.3 | -174.8 | -33.2 | 0 | 0 | 0 | 107.9 | E31 N35 I36 N37 S107 | E31-D33 PolarHBondContact O-N 2.88Å; E31-D33 VanDerWaalsContact O-N 3.11Å; D33-N35 VanDerWaalsContact C-N 3.25Å; D33-N35 PolarHBondContact O-N 2.88Å; D33-N35 WeakPolarHBondContact OD1-CB 3.22Å; D33-N35 PolarHBondContact OD1-N 3.41Å; D33-I36 HydrophobicContact CB-CB 4.45Å; D33-I36 HydrophobicContact CB-CD1 3.93Å; D33-I36 HydrophobicContact CB-CG1 4.26Å; D33-I36 PolarHBondContact O-N 3.31Å; D33-I36 PolarHBondContact OD1-N 2.98Å; D33-N37 WeakPolarHBondContact O-CB 3.43Å; D33-N37 PolarHBondContact O-N 3.42Å; D33-N37 VanDerWaalsContact O-N 3.08Å; D33-N37 PolarHBondContact O-ND2 2.9Å; D33-S107 WeakPolarHBondContact OD2-CB 3.31Å; D33-S107 PolarHBondContact OD2-OG 3.43Å | ||
| 34 | S | 78.6 | Confident | 80.2 | Confident | 77 Ų | 77 | 68 Ų | 68 | 54% | 0.538 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.6 | -34.1 | -174.4 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | N32 C38 | N32-S34 PolarHBondContact O-N 2.93Å; S34-C38 VanDerWaalsContact O-CB 3.22Å; S34-C38 WeakPolarHBondContact O-CB 3.48Å; S34-C38 PolarHBondContact O-N 3.49Å |
| 35 | N | 81.1 | Confident | 80.8 | Confident | 75 Ų | 75 | 70.7 Ų | 70.7 | 40% | 0.401 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.8 | -42.4 | -175.9 | -64.6 | -23.4 | 0 | 0 | 0 | 110.7 | D33 C38 L39 L104 | D33-N35 VanDerWaalsContact C-N 3.25Å; D33-N35 PolarHBondContact O-N 2.88Å; D33-N35 WeakPolarHBondContact OD1-CB 3.22Å; D33-N35 PolarHBondContact OD1-N 3.41Å; N35-C38 WeakPolarHBondContact O-CB 3.29Å; N35-C38 PolarHBondContact O-N 3.38Å; N35-L39 PolarHBondContact O-N 3.02Å; N35-L104 HydrophobicContact CB-CD1 3.84Å |
| 36 | I | 82.1 | Confident | 81.6 | Confident | 12 Ų | 12 | 73.3 Ų | 73.3 | 6% | 0.062 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.8 | -42.9 | 179.5 | -57.8 | 169.8 | 0 | 0 | 0 | 110.8 | I25 D33 C38 L39 L40 F108 F118 | I25-I36 HydrophobicContact CD1-CG2 3.33Å; D33-I36 HydrophobicContact CB-CB 4.45Å; D33-I36 HydrophobicContact CB-CD1 3.93Å; D33-I36 HydrophobicContact CB-CG1 4.26Å; D33-I36 PolarHBondContact O-N 3.31Å; D33-I36 PolarHBondContact OD1-N 2.98Å; I36-C38 VanDerWaalsContact C-N 3.25Å; I36-C38 PolarHBondContact O-N 3.48Å; I36-L39 PolarHBondContact O-N 3.36Å; I36-L39 VanDerWaalsContact O-N 3.15Å; I36-L40 HydrophobicContact CG2-CD1 4.26Å; I36-L40 HydrophobicContact CG2-CG 4.28Å; I36-L40 WeakPolarHBondContact O-CG 3.36Å; I36-L40 PolarHBondContact O-N 3.36Å; I36-F108 HydrophobicContact CD1-CD1 3.53Å; I36-F108 HydrophobicContact CD1-CE1 3.16Å; I36-F108 HydrophobicContact CD1-CZ 4Å; I36-F108 HydrophobicContact CG1-CD1 4.07Å; I36-F108 HydrophobicContact CG1-CE1 3.2Å; I36-F108 HydrophobicContact CG1-CZ 3.86Å; I36-F118 HydrophobicContact CD1-CD1 4.39Å; I36-F118 HydrophobicContact CD1-CD2 4.36Å; I36-F118 HydrophobicContact CD1-CE1 3.49Å; I36-F118 VanDerWaalsContact CD1-CE1 3.49Å; I36-F118 HydrophobicContact CD1-CE2 3.44Å; I36-F118 VanDerWaalsContact CD1-CE2 3.44Å; I36-F118 HydrophobicContact CD1-CZ 2.97Å; I36-F118 HydrophobicContact CG1-CZ 4.38Å |
| 37 | N | 85.6 | Confident | 82.4 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 174.5 | -80.5 | -62.1 | 0 | 0 | 0 | 111.3 | N32 D33 L40 I41 | N32-N37 VanDerWaalsContact CG-ND2 3.27Å; N32-N37 PolarHBondContact OD1-ND2 3.38Å; D33-N37 WeakPolarHBondContact O-CB 3.43Å; D33-N37 PolarHBondContact O-N 3.42Å; D33-N37 VanDerWaalsContact O-N 3.08Å; D33-N37 PolarHBondContact O-ND2 2.9Å; N37-L40 PolarHBondContact O-N 3.44Å; N37-I41 WeakPolarHBondContact O-CB 3.25Å; N37-I41 WeakPolarHBondContact O-CD1 3.49Å; N37-I41 WeakPolarHBondContact O-CG1 3.49Å; N37-I41 PolarHBondContact O-N 3.47Å |
| 38 | C | 88.4 | Confident | 83.3 | Confident | 85 Ų | 85 | 66.5 Ų | 66.5 | 57% | 0.574 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.3 | -46.4 | 173.5 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | S34 N35 I36 L40 I41 F42 | S34-C38 VanDerWaalsContact O-CB 3.22Å; S34-C38 WeakPolarHBondContact O-CB 3.48Å; S34-C38 PolarHBondContact O-N 3.49Å; N35-C38 WeakPolarHBondContact O-CB 3.29Å; N35-C38 PolarHBondContact O-N 3.38Å; I36-C38 VanDerWaalsContact C-N 3.25Å; I36-C38 PolarHBondContact O-N 3.48Å; C38-L40 PolarHBondContact O-N 2.93Å; C38-I41 PolarHBondContact O-N 3.04Å; C38-F42 WeakPolarHBondContact O-CB 3.4Å; C38-F42 PolarHBondContact O-N 3.42Å |
| 39 | L | 88.9 | Confident | 84.5 | Confident | 84 Ų | 84 | 61.8 Ų | 61.8 | 44% | 0.44 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 177.2 | -175.1 | 154.1 | 0 | 0 | 0 | 111.7 | N35 I36 F42 V43 | N35-L39 PolarHBondContact O-N 3.02Å; I36-L39 PolarHBondContact O-N 3.36Å; I36-L39 VanDerWaalsContact O-N 3.15Å; L39-F42 WeakPolarHBondContact O-CB 3.47Å; L39-F42 PolarHBondContact O-N 3.19Å; L39-V43 HydrophobicContact CD2-CG2 4.2Å; L39-V43 WeakPolarHBondContact O-CG2 3.5Å; L39-V43 PolarHBondContact O-N 3.25Å |
| 40 | L | 92.1 | Very high | 86.2 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.6 | -39 | 179.7 | -68.6 | -176.5 | 0 | 0 | 0 | 112.6 | R22 I25 I36 N37 C38 F42 V43 I44 | R22-L40 HydrophobicContact CB-CD1 3.98Å; R22-L40 HydrophobicContact CG-CD1 4.44Å; I25-L40 HydrophobicContact CD1-CD1 3.6Å; I25-L40 HydrophobicContact CG1-CD1 4.4Å; I36-L40 HydrophobicContact CG2-CD1 4.26Å; I36-L40 HydrophobicContact CG2-CG 4.28Å; I36-L40 WeakPolarHBondContact O-CG 3.36Å; I36-L40 PolarHBondContact O-N 3.36Å; N37-L40 PolarHBondContact O-N 3.44Å; C38-L40 PolarHBondContact O-N 2.93Å; L40-F42 VanDerWaalsContact C-N 3.33Å; L40-V43 PolarHBondContact O-N 3.01Å; L40-I44 WeakPolarHBondContact O-CG1 3.43Å; L40-I44 PolarHBondContact O-N 3.25Å; L40-I44 VanDerWaalsContact O-N 3.12Å |
| 41 | I | 94.1 | Very high | 88 | Confident | 71 Ų | 71 | 57.6 Ų | 57.6 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 173 | -69.7 | 165.3 | 0 | 0 | 0 | 110 | N37 C38 V43 I44 V45 | N37-I41 WeakPolarHBondContact O-CB 3.25Å; N37-I41 WeakPolarHBondContact O-CD1 3.49Å; N37-I41 WeakPolarHBondContact O-CG1 3.49Å; N37-I41 PolarHBondContact O-N 3.47Å; C38-I41 PolarHBondContact O-N 3.04Å; I41-V43 PolarHBondContact O-N 2.93Å; I41-I44 PolarHBondContact O-N 2.97Å; I41-V45 HydrophobicContact CG2-CG2 4.15Å; I41-V45 WeakPolarHBondContact O-CB 3.49Å; I41-V45 WeakPolarHBondContact O-CG2 3.42Å; I41-V45 PolarHBondContact O-N 2.87Å |
| 42 | F | 94.7 | Very high | 89.9 | Confident | 134 Ų | 134 | 56.6 Ų | 56.6 | 59% | 0.588 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -57.6 | -46.5 | 176.3 | 175.1 | -95 | 0 | 0 | 0 | 111.8 | C38 L39 L40 I44 V45 F46 | C38-F42 WeakPolarHBondContact O-CB 3.4Å; C38-F42 PolarHBondContact O-N 3.42Å; L39-F42 WeakPolarHBondContact O-CB 3.47Å; L39-F42 PolarHBondContact O-N 3.19Å; L40-F42 VanDerWaalsContact C-N 3.33Å; F42-I44 VanDerWaalsContact C-N 3.33Å; F42-I44 PolarHBondContact O-N 3.45Å; F42-V45 PolarHBondContact O-N 3.43Å; F42-F46 VanDerWaalsContact O-CB 3.23Å; F42-F46 WeakPolarHBondContact O-CB 3.28Å; F42-F46 PolarHBondContact O-N 2.98Å |
| 43 | V | 96.7 | Very high | 91.5 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 21% | 0.212 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 177 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | L14 L39 L40 I41 G47 | L14-V43 HydrophobicContact CB-CG1 4.34Å; L14-V43 HydrophobicContact CD2-CG1 4.33Å; L39-V43 HydrophobicContact CD2-CG2 4.2Å; L39-V43 WeakPolarHBondContact O-CG2 3.5Å; L39-V43 PolarHBondContact O-N 3.25Å; L40-V43 PolarHBondContact O-N 3.01Å; I41-V43 PolarHBondContact O-N 2.93Å; V43-G47 PolarHBondContact O-N 3.47Å |
| 44 | I | 97.9 | Very high | 92.8 | Very high | 35 Ų | 35 | 50.4 Ų | 50.4 | 18% | 0.179 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.9 | -47.9 | 178.3 | -65 | 165.2 | 0 | 0 | 0 | 110.8 | L40 I41 F42 F46 G47 C48 | L40-I44 WeakPolarHBondContact O-CG1 3.43Å; L40-I44 PolarHBondContact O-N 3.25Å; L40-I44 VanDerWaalsContact O-N 3.12Å; I41-I44 PolarHBondContact O-N 2.97Å; F42-I44 VanDerWaalsContact C-N 3.33Å; F42-I44 PolarHBondContact O-N 3.45Å; I44-F46 VanDerWaalsContact C-N 3.34Å; I44-F46 PolarHBondContact O-N 3.02Å; I44-G47 PolarHBondContact O-N 3.29Å; I44-C48 PolarHBondContact O-N 2.92Å; I44-C48 PolarHBondContact O-SG 3.39Å; I44-C48 VanDerWaalsContact O-SG 3.39Å |
| 45 | V | 97.5 | Very high | 93.5 | Very high | 90 Ų | 90 | 52.3 Ų | 52.3 | 55% | 0.545 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | -179.6 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | I41 F42 G47 C48 F49 | I41-V45 HydrophobicContact CG2-CG2 4.15Å; I41-V45 WeakPolarHBondContact O-CB 3.49Å; I41-V45 WeakPolarHBondContact O-CG2 3.42Å; I41-V45 PolarHBondContact O-N 2.87Å; F42-V45 PolarHBondContact O-N 3.43Å; V45-G47 VanDerWaalsContact C-N 3.34Å; V45-G47 PolarHBondContact O-N 2.9Å; V45-C48 WeakPolarHBondContact O-CB 3.41Å; V45-C48 PolarHBondContact O-N 3.38Å; V45-F49 WeakPolarHBondContact O-CB 3.38Å; V45-F49 PolarHBondContact O-N 3.48Å |
| 46 | F | 96.5 | Very high | 94.2 | Very high | 74 Ų | 74 | 49.7 Ų | 49.7 | 33% | 0.325 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 175.1 | -171.3 | -113.9 | 0 | 0 | 0 | 111.5 | L14 F42 I44 C48 F49 L50 | L14-F46 HydrophobicContact CD1-CD1 3.86Å; L14-F46 HydrophobicContact CD1-CE1 4.32Å; F42-F46 VanDerWaalsContact O-CB 3.23Å; F42-F46 WeakPolarHBondContact O-CB 3.28Å; F42-F46 PolarHBondContact O-N 2.98Å; I44-F46 VanDerWaalsContact C-N 3.34Å; I44-F46 PolarHBondContact O-N 3.02Å; F46-C48 PolarHBondContact O-N 3.27Å; F46-F49 WeakPolarHBondContact O-CB 3.3Å; F46-F49 PolarHBondContact O-N 2.93Å; F46-L50 HydrophobicContact CD1-CD1 4.18Å; F46-L50 HydrophobicContact CD1-CG 4.36Å; F46-L50 HydrophobicContact CE1-CD1 3.76Å; F46-L50 HydrophobicContact CE1-CD2 4.32Å; F46-L50 HydrophobicContact CE1-CG 4.08Å; F46-L50 HydrophobicContact CE2-CD2 4.39Å; F46-L50 HydrophobicContact CZ-CD1 4.28Å; F46-L50 HydrophobicContact CZ-CD2 4Å; F46-L50 HydrophobicContact CZ-CG 4.23Å; F46-L50 WeakPolarHBondContact O-CG 3.35Å; F46-L50 PolarHBondContact O-N 3.43Å |
| 47 | G | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G11 V43 I44 V45 F49 L50 L51 | G11-G47 WeakPolarHBondContact CA-O 3.48Å; V43-G47 PolarHBondContact O-N 3.47Å; I44-G47 PolarHBondContact O-N 3.29Å; V45-G47 VanDerWaalsContact C-N 3.34Å; V45-G47 PolarHBondContact O-N 2.9Å; G47-F49 VanDerWaalsContact C-N 3.3Å; G47-F49 PolarHBondContact O-N 2.94Å; G47-L50 PolarHBondContact O-N 3.49Å; G47-L51 PolarHBondContact O-N 3.32Å |
| 48 | C | 98 | Very high | 95.2 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 173.8 | -69.2 | 0 | 0 | 0 | 0 | 112 | I44 V45 F46 L51 L52 | I44-C48 PolarHBondContact O-N 2.92Å; I44-C48 PolarHBondContact O-SG 3.39Å; I44-C48 VanDerWaalsContact O-SG 3.39Å; V45-C48 WeakPolarHBondContact O-CB 3.41Å; V45-C48 PolarHBondContact O-N 3.38Å; F46-C48 PolarHBondContact O-N 3.27Å; C48-L51 WeakPolarHBondContact O-CB 3.36Å; C48-L51 PolarHBondContact O-N 3.39Å; C48-L52 PolarHBondContact O-N 3.05Å |
| 49 | F | 96.3 | Very high | 95.5 | Very high | 46 Ų | 46 | 48 Ų | 48 | 20% | 0.202 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -44.6 | 176.9 | 177.1 | -97.8 | 0 | 0 | 0 | 112 | V45 F46 G47 L51 L52 L53 L75 M79 | V45-F49 WeakPolarHBondContact O-CB 3.38Å; V45-F49 PolarHBondContact O-N 3.48Å; F46-F49 WeakPolarHBondContact O-CB 3.3Å; F46-F49 PolarHBondContact O-N 2.93Å; G47-F49 VanDerWaalsContact C-N 3.3Å; G47-F49 PolarHBondContact O-N 2.94Å; F49-L51 VanDerWaalsContact C-N 3.35Å; F49-L51 PolarHBondContact O-N 3.35Å; F49-L52 PolarHBondContact O-N 2.89Å; F49-L53 HydrophobicContact CD1-CD1 3.98Å; F49-L53 HydrophobicContact CD1-CG 4.42Å; F49-L53 HydrophobicContact CE1-CD1 3.24Å; F49-L53 HydrophobicContact CE1-CG 3.86Å; F49-L53 HydrophobicContact CE2-CG 4.42Å; F49-L53 HydrophobicContact CZ-CD1 3.61Å; F49-L53 HydrophobicContact CZ-CD2 4.18Å; F49-L53 HydrophobicContact CZ-CG 3.87Å; F49-L53 PolarHBondContact O-N 3.33Å; F49-L75 HydrophobicContact CE2-CD2 4.37Å; F49-M79 HydrophobicContact CD1-SD 4.13Å; F49-M79 HydrophobicContact CE1-CE 3.85Å; F49-M79 HydrophobicContact CE1-CG 3.39Å; F49-M79 HydrophobicContact CE1-SD 3.21Å; F49-M79 WeakPolarHBondContact CE1-SD 3.21Å; F49-M79 HydrophobicContact CE2-CE 4.47Å; F49-M79 HydrophobicContact CZ-CE 3.71Å; F49-M79 HydrophobicContact CZ-CG 3.42Å; F49-M79 VanDerWaalsContact CZ-CG 3.42Å; F49-M79 HydrophobicContact CZ-SD 3.62Å |
| 50 | L | 96.7 | Very high | 95.7 | Very high | 25 Ų | 25 | 44 Ų | 44 | 13% | 0.131 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -40.4 | 173.8 | -66.9 | -172 | 0 | 0 | 0 | 112.1 | I7 L14 F46 G47 L52 L53 G54 | I7-L50 HydrophobicContact CG2-CB 4.06Å; I7-L50 HydrophobicContact CG2-CD2 4.27Å; I7-L50 VanDerWaalsContact CG2-O 3.3Å; I7-L50 WeakPolarHBondContact CG2-O 3.46Å; L14-L50 HydrophobicContact CD1-CD1 3.86Å; F46-L50 HydrophobicContact CD1-CD1 4.18Å; F46-L50 HydrophobicContact CD1-CG 4.36Å; F46-L50 HydrophobicContact CE1-CD1 3.76Å; F46-L50 HydrophobicContact CE1-CD2 4.32Å; F46-L50 HydrophobicContact CE1-CG 4.08Å; F46-L50 HydrophobicContact CE2-CD2 4.39Å; F46-L50 HydrophobicContact CZ-CD1 4.28Å; F46-L50 HydrophobicContact CZ-CD2 4Å; F46-L50 HydrophobicContact CZ-CG 4.23Å; F46-L50 WeakPolarHBondContact O-CG 3.35Å; F46-L50 PolarHBondContact O-N 3.43Å; G47-L50 PolarHBondContact O-N 3.49Å; L50-L52 VanDerWaalsContact C-N 3.32Å; L50-L52 PolarHBondContact O-N 2.8Å; L50-L53 HydrophobicContact CD2-CD1 4.47Å; L50-L53 PolarHBondContact O-N 3.26Å; L50-G54 PolarHBondContact O-N 3.4Å |
| 51 | L | 96.8 | Very high | 95.7 | Very high | 39 Ų | 39 | 45.3 Ų | 45.3 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57 | -47.1 | 174 | -82.2 | -176.8 | 0 | 0 | 0 | 112 | F8 I12 I15 G47 C48 F49 G54 F55 | F8-L51 HydrophobicContact CD1-CD2 4.42Å; F8-L51 HydrophobicContact CD2-CD2 3.79Å; F8-L51 HydrophobicContact CE1-CD2 4.43Å; F8-L51 HydrophobicContact CE2-CD2 3.77Å; F8-L51 HydrophobicContact CG-CD2 4.12Å; F8-L51 HydrophobicContact CZ-CD2 4.11Å; F8-L51 WeakPolarHBondContact O-CD2 3.17Å; I12-L51 HydrophobicContact CB-CD2 4.39Å; I12-L51 HydrophobicContact CD1-CD2 4.33Å; I12-L51 HydrophobicContact CG1-CD1 4.49Å; I12-L51 HydrophobicContact CG1-CD2 3.37Å; I12-L51 HydrophobicContact CG1-CG 4.43Å; I15-L51 HydrophobicContact CD1-CD1 3.2Å; I15-L51 HydrophobicContact CD1-CG 3.94Å; G47-L51 PolarHBondContact O-N 3.32Å; C48-L51 WeakPolarHBondContact O-CB 3.36Å; C48-L51 PolarHBondContact O-N 3.39Å; F49-L51 VanDerWaalsContact C-N 3.35Å; F49-L51 PolarHBondContact O-N 3.35Å; L51-G54 PolarHBondContact O-N 2.9Å; L51-F55 VanDerWaalsContact O-CB 3.29Å; L51-F55 WeakPolarHBondContact O-CB 3.47Å; L51-F55 PolarHBondContact O-N 3.43Å |
| 52 | L | 96.1 | Very high | 95.6 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 45% | 0.445 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62 | -46.4 | 179.3 | -179.1 | 63.9 | 0 | 0 | 0 | 111.1 | C48 F49 L50 F55 L56 L75 | C48-L52 PolarHBondContact O-N 3.05Å; F49-L52 PolarHBondContact O-N 2.89Å; L50-L52 VanDerWaalsContact C-N 3.32Å; L50-L52 PolarHBondContact O-N 2.8Å; L52-F55 PolarHBondContact O-N 3.32Å; L52-L56 HydrophobicContact CD1-CD1 4Å; L52-L56 HydrophobicContact CD1-CG 4.1Å; L52-L56 HydrophobicContact CG-CD1 3.9Å; L52-L56 HydrophobicContact CG-CG 4.39Å; L52-L56 WeakPolarHBondContact O-CB 3.43Å; L52-L56 VanDerWaalsContact O-CG 3.26Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 2.98Å; L52-L75 HydrophobicContact CD2-CD1 4.45Å |
| 53 | L | 95.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -48.2 | 176.2 | -77.9 | -176.9 | 0 | 0 | 0 | 112.4 | I7 F49 L50 L56 G57 Y72 L75 L76 M79 | I7-L53 HydrophobicContact CG2-CB 4.43Å; F49-L53 HydrophobicContact CD1-CD1 3.98Å; F49-L53 HydrophobicContact CD1-CG 4.42Å; F49-L53 HydrophobicContact CE1-CD1 3.24Å; F49-L53 HydrophobicContact CE1-CG 3.86Å; F49-L53 HydrophobicContact CE2-CG 4.42Å; F49-L53 HydrophobicContact CZ-CD1 3.61Å; F49-L53 HydrophobicContact CZ-CD2 4.18Å; F49-L53 HydrophobicContact CZ-CG 3.87Å; F49-L53 PolarHBondContact O-N 3.33Å; L50-L53 HydrophobicContact CD2-CD1 4.47Å; L50-L53 PolarHBondContact O-N 3.26Å; L53-L56 PolarHBondContact O-N 3.18Å; L53-G57 PolarHBondContact O-N 3.43Å; L53-Y72 WeakPolarHBondContact O-CD2 3.29Å; L53-L75 HydrophobicContact CD2-CB 3.52Å; L53-L75 HydrophobicContact CD2-CD1 4.06Å; L53-L75 HydrophobicContact CD2-CG 4.46Å; L53-L76 HydrophobicContact CD1-CD2 4.12Å; L53-L76 HydrophobicContact CD2-CD2 4.25Å; L53-M79 HydrophobicContact CD1-CG 4.35Å |
| 54 | G | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N4 L50 L51 G57 V58 | N4-G54 WeakPolarHBondContact O-CA 3.36Å; L50-G54 PolarHBondContact O-N 3.4Å; L51-G54 PolarHBondContact O-N 2.9Å; G54-G57 PolarHBondContact O-N 3.5Å; G54-V58 WeakPolarHBondContact O-CG2 3.45Å; G54-V58 PolarHBondContact O-N 2.89Å |
| 55 | F | 94.8 | Very high | 94.9 | Very high | 117 Ų | 117 | 49.5 Ų | 49.5 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.1 | -49.9 | 177.2 | 177.6 | -100.9 | 0 | 0 | 0 | 112 | F8 L51 L52 G57 V58 C59 | F8-F55 HydrophobicContact CD2-CB 4.26Å; F8-F55 HydrophobicContact CE2-CB 4.25Å; L51-F55 VanDerWaalsContact O-CB 3.29Å; L51-F55 WeakPolarHBondContact O-CB 3.47Å; L51-F55 PolarHBondContact O-N 3.43Å; L52-F55 PolarHBondContact O-N 3.32Å; F55-G57 VanDerWaalsContact C-N 3.31Å; F55-G57 PolarHBondContact O-N 3.13Å; F55-V58 PolarHBondContact O-N 3.39Å; F55-C59 HydrophobicContact CE1-CB 4.4Å; F55-C59 HydrophobicContact CZ-CB 4.43Å; F55-C59 WeakPolarHBondContact O-CB 3.48Å; F55-C59 PolarHBondContact O-N 3.34Å |
| 56 | L | 95.3 | Very high | 94.7 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 177.9 | -70.9 | 172.9 | 0 | 0 | 0 | 111.6 | L52 L53 G60 V71 Y72 L75 | L52-L56 HydrophobicContact CD1-CD1 4Å; L52-L56 HydrophobicContact CD1-CG 4.1Å; L52-L56 HydrophobicContact CG-CD1 3.9Å; L52-L56 HydrophobicContact CG-CG 4.39Å; L52-L56 WeakPolarHBondContact O-CB 3.43Å; L52-L56 VanDerWaalsContact O-CG 3.26Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 2.98Å; L53-L56 PolarHBondContact O-N 3.18Å; L56-G60 PolarHBondContact O-N 2.91Å; L56-V71 HydrophobicContact CD1-CG1 3.85Å; L56-Y72 HydrophobicContact CB-CD2 4.44Å; L56-L75 HydrophobicContact CD1-CD1 3.74Å |
| 57 | G | 94.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -34.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N4 L53 G54 F55 L61 | N4-G57 PolarHBondContact ND2-O 3.37Å; L53-G57 PolarHBondContact O-N 3.43Å; G54-G57 PolarHBondContact O-N 3.5Å; F55-G57 VanDerWaalsContact C-N 3.31Å; F55-G57 PolarHBondContact O-N 3.13Å; G57-L61 WeakPolarHBondContact O-CD1 3.43Å; G57-L61 VanDerWaalsContact O-CG 3.25Å; G57-L61 WeakPolarHBondContact O-CG 3.38Å |
| 58 | V | 94.6 | Very high | 94.5 | Very high | 38 Ų | 38 | 52.7 Ų | 52.7 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -76.9 | -50.8 | 173 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | N4 I5 G54 F55 G60 L61 S62 | N4-V58 HydrophobicContact CB-CG2 3.73Å; I5-V58 HydrophobicContact CG1-CG2 3.94Å; G54-V58 WeakPolarHBondContact O-CG2 3.45Å; G54-V58 PolarHBondContact O-N 2.89Å; F55-V58 PolarHBondContact O-N 3.39Å; V58-G60 PolarHBondContact O-N 3.26Å; V58-L61 PolarHBondContact O-N 2.9Å; V58-S62 WeakPolarHBondContact O-CB 3.32Å; V58-S62 PolarHBondContact O-N 2.96Å; V58-S62 PolarHBondContact O-OG 3.2Å |
| 59 | C | 93.9 | Very high | 94.3 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.9 | -49.3 | -178.9 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | F55 L61 S62 T63 | F55-C59 HydrophobicContact CE1-CB 4.4Å; F55-C59 HydrophobicContact CZ-CB 4.43Å; F55-C59 WeakPolarHBondContact O-CB 3.48Å; F55-C59 PolarHBondContact O-N 3.34Å; C59-L61 VanDerWaalsContact C-N 3.31Å; C59-L61 PolarHBondContact O-N 3.45Å; C59-S62 PolarHBondContact O-N 3.24Å; C59-T63 WeakPolarHBondContact O-CB 3.19Å; C59-T63 WeakPolarHBondContact O-CG2 3.41Å; C59-T63 PolarHBondContact O-N 2.95Å; C59-T63 PolarHBondContact O-OG1 3.47Å |
| 60 | G | 93.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -36.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L56 V58 E64 N65 | L56-G60 PolarHBondContact O-N 2.91Å; V58-G60 PolarHBondContact O-N 3.26Å; G60-E64 WeakPolarHBondContact O-CA 3.34Å; G60-E64 PolarHBondContact O-N 3.13Å; G60-N65 PolarHBondContact O-N 3.35Å |
| 61 | L | 92.1 | Very high | 94.3 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -77.5 | -39.9 | 177.1 | -68.9 | 176.8 | 0 | 0 | 0 | 112.9 | G57 V58 C59 L69 F196 | G57-L61 WeakPolarHBondContact O-CD1 3.43Å; G57-L61 VanDerWaalsContact O-CG 3.25Å; G57-L61 WeakPolarHBondContact O-CG 3.38Å; V58-L61 PolarHBondContact O-N 2.9Å; C59-L61 VanDerWaalsContact C-N 3.31Å; C59-L61 PolarHBondContact O-N 3.45Å; L61-L69 HydrophobicContact CD2-CD1 4.3Å; L61-F196 HydrophobicContact CD1-CE1 4.27Å; L61-F196 HydrophobicContact CD2-CD1 4.4Å; L61-F196 HydrophobicContact CD2-CE1 3.65Å |
| 62 | S | 91.7 | Very high | 94.3 | Very high | 81 Ų | 81 | 51.3 Ų | 51.3 | 57% | 0.566 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -77.8 | -29 | -177 | -65 | 0 | 0 | 0 | 0 | 113.5 | V58 C59 | V58-S62 WeakPolarHBondContact O-CB 3.32Å; V58-S62 PolarHBondContact O-N 2.96Å; V58-S62 PolarHBondContact O-OG 3.2Å; C59-S62 PolarHBondContact O-N 3.24Å |
| 63 | T | 92 | Very high | 94.3 | Very high | 82 Ų | 82 | 48 Ų | 48 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -2.2 | -179.8 | 62.9 | 0 | 0 | 0 | 0 | 113 | C59 N65 | C59-T63 WeakPolarHBondContact O-CB 3.19Å; C59-T63 WeakPolarHBondContact O-CG2 3.41Å; C59-T63 PolarHBondContact O-N 2.95Å; C59-T63 PolarHBondContact O-OG1 3.47Å; T63-N65 PolarHBondContact O-N 3.02Å; T63-N65 WeakPolarHBondContact OG1-CB 3.23Å; T63-N65 PolarHBondContact OG1-N 3.22Å |
| 64 | E | 90.5 | Very high | 94.4 | Very high | 137 Ų | 137 | 51.7 Ų | 51.7 | 64% | 0.64 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 30.3 | -171 | -61.7 | -179.4 | -176.2 | 0 | 0 | 112.2 | G60 T66 I204 | G60-E64 WeakPolarHBondContact O-CA 3.34Å; G60-E64 PolarHBondContact O-N 3.13Å; E64-T66 PolarHBondContact O-N 3.14Å; E64-I204 HydrophobicContact CB-CD1 4.01Å; E64-I204 HydrophobicContact CB-CG1 4.43Å; E64-I204 WeakPolarHBondContact O-CD1 3.5Å |
| 65 | N | 92.7 | Very high | 94.4 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 33% | 0.332 | 28% | 0.284 | S | S | . | . | trans | -84.3 | 104.2 | -177.6 | -173.8 | -29 | 0 | 0 | 0 | 110.3 | G60 T63 Y67 C68 L69 | G60-N65 PolarHBondContact O-N 3.35Å; T63-N65 PolarHBondContact O-N 3.02Å; T63-N65 WeakPolarHBondContact OG1-CB 3.23Å; T63-N65 PolarHBondContact OG1-N 3.22Å; N65-Y67 PolarHBondContact O-N 3.44Å; N65-Y67 WeakPolarHBondContact OD1-CB 3.21Å; N65-Y67 PolarHBondContact OD1-N 3.44Å; N65-C68 HydrophobicContact CB-CB 4.3Å; N65-C68 PolarHBondContact O-N 3.38Å; N65-C68 PolarHBondContact OD1-N 2.97Å; N65-L69 PolarHBondContact O-N 2.84Å; N65-L69 VanDerWaalsContact O-N 3.13Å | ||
| 66 | T | 94.1 | Very high | 94.4 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52.7 | -36.5 | 178 | -66.1 | 0 | 0 | 0 | 0 | 113.4 | E64 L69 I70 I201 I204 | E64-T66 PolarHBondContact O-N 3.14Å; T66-L69 PolarHBondContact O-N 3.15Å; T66-I70 HydrophobicContact CG2-CD1 3.67Å; T66-I70 HydrophobicContact CG2-CG1 4.23Å; T66-I70 WeakPolarHBondContact O-CB 3.32Å; T66-I70 WeakPolarHBondContact O-CG1 3.44Å; T66-I70 PolarHBondContact O-N 2.88Å; T66-I201 HydrophobicContact CG2-CG2 3.93Å; T66-I204 WeakPolarHBondContact OG1-CG2 3.49Å |
| 67 | Y | 94.8 | Very high | 94.5 | Very high | 186 Ų | 186 | 49.8 Ų | 49.8 | 73% | 0.729 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.4 | -46.7 | 179.8 | -66 | -81.1 | 0 | 0 | 0 | 112.2 | N65 L69 I70 V71 | N65-Y67 PolarHBondContact O-N 3.44Å; N65-Y67 WeakPolarHBondContact OD1-CB 3.21Å; N65-Y67 PolarHBondContact OD1-N 3.44Å; Y67-L69 PolarHBondContact O-N 3.12Å; Y67-I70 PolarHBondContact O-N 3.32Å; Y67-V71 WeakPolarHBondContact O-CG2 3.31Å; Y67-V71 PolarHBondContact O-N 2.89Å |
| 68 | C | 94.4 | Very high | 94.6 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 175.3 | -70.9 | 0 | 0 | 0 | 0 | 111.1 | N65 V71 Y72 | N65-C68 HydrophobicContact CB-CB 4.3Å; N65-C68 PolarHBondContact O-N 3.38Å; N65-C68 PolarHBondContact OD1-N 2.97Å; C68-V71 PolarHBondContact O-N 3.48Å; C68-Y72 WeakPolarHBondContact O-CB 3.42Å; C68-Y72 PolarHBondContact O-N 3.28Å |
| 69 | L | 94.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.6 | -37.7 | -179 | -162.2 | 56.1 | 0 | 0 | 0 | 112 | L61 N65 T66 Y67 Y72 T73 A197 V200 I201 | L61-L69 HydrophobicContact CD2-CD1 4.3Å; N65-L69 PolarHBondContact O-N 2.84Å; N65-L69 VanDerWaalsContact O-N 3.13Å; T66-L69 PolarHBondContact O-N 3.15Å; Y67-L69 PolarHBondContact O-N 3.12Å; L69-Y72 HydrophobicContact CD1-CD1 4.13Å; L69-Y72 PolarHBondContact O-N 3.16Å; L69-T73 WeakPolarHBondContact O-CB 3.33Å; L69-T73 PolarHBondContact O-N 3.44Å; L69-T73 PolarHBondContact O-OG1 3.48Å; L69-A197 HydrophobicContact CD1-CB 3.63Å; L69-A197 WeakPolarHBondContact CD2-O 3.29Å; L69-A197 HydrophobicContact CG-CB 3.98Å; L69-V200 HydrophobicContact CD2-CB 3.82Å; L69-V200 HydrophobicContact CD2-CG1 3.56Å; L69-I201 HydrophobicContact CB-CD1 4.13Å; L69-I201 HydrophobicContact CB-CG1 3.88Å; L69-I201 HydrophobicContact CD2-CD1 4.31Å; L69-I201 HydrophobicContact CD2-CG1 3.52Å; L69-I201 HydrophobicContact CG-CD1 3.88Å; L69-I201 HydrophobicContact CG-CG1 3.63Å |
| 70 | I | 96.5 | Very high | 94.6 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 33% | 0.333 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 172.7 | -71.9 | 165.1 | 0 | 0 | 0 | 110.9 | T66 Y67 Y72 T73 V74 I201 | T66-I70 HydrophobicContact CG2-CD1 3.67Å; T66-I70 HydrophobicContact CG2-CG1 4.23Å; T66-I70 WeakPolarHBondContact O-CB 3.32Å; T66-I70 WeakPolarHBondContact O-CG1 3.44Å; T66-I70 PolarHBondContact O-N 2.88Å; Y67-I70 PolarHBondContact O-N 3.32Å; I70-Y72 VanDerWaalsContact C-N 3.32Å; I70-Y72 PolarHBondContact O-N 3.45Å; I70-T73 PolarHBondContact O-N 3.49Å; I70-V74 HydrophobicContact CG2-CG2 4.47Å; I70-V74 WeakPolarHBondContact O-CG2 3.44Å; I70-V74 PolarHBondContact O-N 3.22Å; I70-I201 HydrophobicContact CG1-CD1 3.79Å; I70-I201 HydrophobicContact CG1-CG1 4.49Å |
| 71 | V | 96.5 | Very high | 94.8 | Very high | 72 Ų | 72 | 56 Ų | 56 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 179.2 | 177 | 0 | 0 | 0 | 0 | 110.3 | L56 Y67 C68 T73 V74 L75 | L56-V71 HydrophobicContact CD1-CG1 3.85Å; Y67-V71 WeakPolarHBondContact O-CG2 3.31Å; Y67-V71 PolarHBondContact O-N 2.89Å; C68-V71 PolarHBondContact O-N 3.48Å; V71-T73 PolarHBondContact O-N 3.49Å; V71-V74 PolarHBondContact O-N 3.28Å; V71-L75 HydrophobicContact CG1-CD1 3.95Å; V71-L75 HydrophobicContact CG1-CG 4.32Å; V71-L75 VanDerWaalsContact O-CG 3.31Å; V71-L75 WeakPolarHBondContact O-CG 3.49Å; V71-L75 PolarHBondContact O-N 2.94Å |
| 72 | Y | 95.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 3% | 0.027 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.6 | -48.4 | 174 | 171.7 | -101.9 | 0 | 0 | 0 | 112.3 | N4 L53 L56 C68 L69 I70 V74 L75 L76 A197 | N4-Y72 PolarHBondContact OD1-OH 3.11Å; L53-Y72 WeakPolarHBondContact O-CD2 3.29Å; L56-Y72 HydrophobicContact CB-CD2 4.44Å; C68-Y72 WeakPolarHBondContact O-CB 3.42Å; C68-Y72 PolarHBondContact O-N 3.28Å; L69-Y72 HydrophobicContact CD1-CD1 4.13Å; L69-Y72 PolarHBondContact O-N 3.16Å; I70-Y72 VanDerWaalsContact C-N 3.32Å; I70-Y72 PolarHBondContact O-N 3.45Å; Y72-V74 PolarHBondContact O-N 2.95Å; Y72-L75 PolarHBondContact O-N 3.39Å; Y72-L76 HydrophobicContact CD1-CD1 4.19Å; Y72-L76 HydrophobicContact CD2-CD1 4.48Å; Y72-L76 HydrophobicContact CD2-CG 4.37Å; Y72-L76 HydrophobicContact CE1-CD1 3.47Å; Y72-L76 VanDerWaalsContact CE1-CD1 3.47Å; Y72-L76 HydrophobicContact CE1-CG 4.29Å; Y72-L76 HydrophobicContact CE2-CD1 3.82Å; Y72-L76 HydrophobicContact CE2-CD2 4.46Å; Y72-L76 HydrophobicContact CE2-CG 4Å; Y72-L76 PolarHBondContact O-N 2.94Å; Y72-L76 WeakPolarHBondContact OH-CD1 3.43Å; Y72-A197 HydrophobicContact CD1-CB 4.24Å; Y72-A197 HydrophobicContact CE1-CB 4.32Å |
| 73 | T | 96.6 | Very high | 95 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 9% | 0.092 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | 178 | -62 | 0 | 0 | 0 | 0 | 111.9 | L69 I70 V71 L76 S77 I194 A197 I198 | L69-T73 WeakPolarHBondContact O-CB 3.33Å; L69-T73 PolarHBondContact O-N 3.44Å; L69-T73 PolarHBondContact O-OG1 3.48Å; I70-T73 PolarHBondContact O-N 3.49Å; V71-T73 PolarHBondContact O-N 3.49Å; T73-L76 PolarHBondContact O-N 3.17Å; T73-S77 PolarHBondContact O-N 2.84Å; T73-S77 PolarHBondContact O-OG 3.45Å; T73-S77 VanDerWaalsContact O-OG 3.04Å; T73-I194 HydrophobicContact CG2-CG2 4.07Å; T73-A197 VanDerWaalsContact OG1-CB 3.31Å; T73-A197 WeakPolarHBondContact OG1-CB 3.44Å; T73-I198 HydrophobicContact CG2-CD1 4.28Å; T73-I198 HydrophobicContact CG2-CG1 4.02Å |
| 74 | V | 97.3 | Very high | 95.1 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | I70 V71 Y72 L76 S77 V78 | I70-V74 HydrophobicContact CG2-CG2 4.47Å; I70-V74 WeakPolarHBondContact O-CG2 3.44Å; I70-V74 PolarHBondContact O-N 3.22Å; V71-V74 PolarHBondContact O-N 3.28Å; Y72-V74 PolarHBondContact O-N 2.95Å; V74-L76 PolarHBondContact O-N 3.13Å; V74-S77 PolarHBondContact O-N 2.93Å; V74-V78 WeakPolarHBondContact O-CG2 3.45Å; V74-V78 PolarHBondContact O-N 3.38Å |
| 75 | L | 96.2 | Very high | 95.4 | Very high | 43 Ų | 43 | 50 Ų | 50 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | -179.9 | -67.7 | 174.7 | 0 | 0 | 0 | 112.2 | F49 L52 L53 L56 V71 Y72 V78 M79 | F49-L75 HydrophobicContact CE2-CD2 4.37Å; L52-L75 HydrophobicContact CD2-CD1 4.45Å; L53-L75 HydrophobicContact CD2-CB 3.52Å; L53-L75 HydrophobicContact CD2-CD1 4.06Å; L53-L75 HydrophobicContact CD2-CG 4.46Å; L56-L75 HydrophobicContact CD1-CD1 3.74Å; V71-L75 HydrophobicContact CG1-CD1 3.95Å; V71-L75 HydrophobicContact CG1-CG 4.32Å; V71-L75 VanDerWaalsContact O-CG 3.31Å; V71-L75 WeakPolarHBondContact O-CG 3.49Å; V71-L75 PolarHBondContact O-N 2.94Å; Y72-L75 PolarHBondContact O-N 3.39Å; L75-V78 PolarHBondContact O-N 3.12Å; L75-M79 WeakPolarHBondContact O-CG 3.33Å; L75-M79 PolarHBondContact O-N 3.19Å |
| 76 | L | 95.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 173.9 | -79.1 | -168.8 | 0 | 0 | 0 | 112.4 | L53 Y72 T73 V74 V78 M79 V80 C193 I194 | L53-L76 HydrophobicContact CD1-CD2 4.12Å; L53-L76 HydrophobicContact CD2-CD2 4.25Å; Y72-L76 HydrophobicContact CD1-CD1 4.19Å; Y72-L76 HydrophobicContact CD2-CD1 4.48Å; Y72-L76 HydrophobicContact CD2-CG 4.37Å; Y72-L76 HydrophobicContact CE1-CD1 3.47Å; Y72-L76 VanDerWaalsContact CE1-CD1 3.47Å; Y72-L76 HydrophobicContact CE1-CG 4.29Å; Y72-L76 HydrophobicContact CE2-CD1 3.82Å; Y72-L76 HydrophobicContact CE2-CD2 4.46Å; Y72-L76 HydrophobicContact CE2-CG 4Å; Y72-L76 PolarHBondContact O-N 2.94Å; Y72-L76 WeakPolarHBondContact OH-CD1 3.43Å; T73-L76 PolarHBondContact O-N 3.17Å; V74-L76 PolarHBondContact O-N 3.13Å; L76-V78 VanDerWaalsContact C-N 3.3Å; L76-V78 PolarHBondContact O-N 2.96Å; L76-M79 PolarHBondContact O-N 3.49Å; L76-M79 VanDerWaalsContact O-N 3.15Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 3.4Å; L76-C193 HydrophobicContact CD1-CB 3.81Å; L76-I194 HydrophobicContact CB-CD1 4Å; L76-I194 HydrophobicContact CB-CG1 3.77Å; L76-I194 HydrophobicContact CD1-CG1 4.21Å |
| 77 | S | 96.6 | Very high | 95.4 | Very high | 52 Ų | 52 | 51 Ų | 51 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 176.1 | -63.7 | 0 | 0 | 0 | 0 | 112 | T73 V74 M79 A81 | T73-S77 PolarHBondContact O-N 2.84Å; T73-S77 PolarHBondContact O-OG 3.45Å; T73-S77 VanDerWaalsContact O-OG 3.04Å; V74-S77 PolarHBondContact O-N 2.93Å; S77-M79 VanDerWaalsContact C-N 3.32Å; S77-A81 WeakPolarHBondContact O-CB 3.44Å; S77-A81 PolarHBondContact O-N 3.38Å; S77-A81 VanDerWaalsContact O-N 3.12Å |
| 78 | V | 96.5 | Very high | 95.4 | Very high | 85 Ų | 85 | 47.5 Ų | 47.5 | 52% | 0.515 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 173.7 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | V74 L75 L76 A81 A82 | V74-V78 WeakPolarHBondContact O-CG2 3.45Å; V74-V78 PolarHBondContact O-N 3.38Å; L75-V78 PolarHBondContact O-N 3.12Å; L76-V78 VanDerWaalsContact C-N 3.3Å; L76-V78 PolarHBondContact O-N 2.96Å; V78-A81 PolarHBondContact O-N 3.48Å; V78-A82 VanDerWaalsContact O-CB 3.32Å; V78-A82 WeakPolarHBondContact O-CB 3.24Å; V78-A82 PolarHBondContact O-N 3.24Å |
| 79 | M | 94.1 | Very high | 95.4 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 17% | 0.167 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.1 | -48.8 | 176.9 | -76.5 | -66.6 | 104.3 | 0 | 0 | 113.2 | F49 L53 L75 L76 S77 A81 A82 E83 | F49-M79 HydrophobicContact CD1-SD 4.13Å; F49-M79 HydrophobicContact CE1-CE 3.85Å; F49-M79 HydrophobicContact CE1-CG 3.39Å; F49-M79 HydrophobicContact CE1-SD 3.21Å; F49-M79 WeakPolarHBondContact CE1-SD 3.21Å; F49-M79 HydrophobicContact CE2-CE 4.47Å; F49-M79 HydrophobicContact CZ-CE 3.71Å; F49-M79 HydrophobicContact CZ-CG 3.42Å; F49-M79 VanDerWaalsContact CZ-CG 3.42Å; F49-M79 HydrophobicContact CZ-SD 3.62Å; L53-M79 HydrophobicContact CD1-CG 4.35Å; L75-M79 WeakPolarHBondContact O-CG 3.33Å; L75-M79 PolarHBondContact O-N 3.19Å; L76-M79 PolarHBondContact O-N 3.49Å; L76-M79 VanDerWaalsContact O-N 3.15Å; S77-M79 VanDerWaalsContact C-N 3.32Å; M79-A81 PolarHBondContact O-N 2.99Å; M79-A82 HydrophobicContact CE-CB 4.31Å; M79-A82 CarbonylContact O-C 3.55Å; M79-A82 PolarHBondContact O-N 2.9Å; M79-E83 WeakPolarHBondContact O-CB 3.3Å; M79-E83 WeakPolarHBondContact O-CG 3.32Å; M79-E83 PolarHBondContact O-N 2.82Å |
| 80 | V | 95.6 | Very high | 95.3 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.9 | -43.3 | 175.2 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | L76 T84 Q190 I194 | L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 3.4Å; V80-T84 HydrophobicContact CG1-CG2 4.5Å; V80-T84 WeakPolarHBondContact O-CB 3.36Å; V80-T84 VanDerWaalsContact O-CG2 3.28Å; V80-T84 WeakPolarHBondContact O-CG2 3.21Å; V80-T84 PolarHBondContact O-N 2.98Å; V80-T84 PolarHBondContact O-OG1 3.38Å; V80-Q190 HydrophobicContact CG2-CB 3.53Å; V80-Q190 HydrophobicContact CG2-CG 4.4Å; V80-I194 HydrophobicContact CG2-CD1 4.09Å |
| 81 | A | 96.1 | Very high | 95 | Very high | 55 Ų | 55 | 50.9 Ų | 50.9 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S77 V78 M79 T84 A85 | S77-A81 WeakPolarHBondContact O-CB 3.44Å; S77-A81 PolarHBondContact O-N 3.38Å; S77-A81 VanDerWaalsContact O-N 3.12Å; V78-A81 PolarHBondContact O-N 3.48Å; M79-A81 PolarHBondContact O-N 2.99Å; A81-T84 WeakPolarHBondContact CA-OG1 3.45Å; A81-T84 PolarHBondContact O-OG1 2.73Å; A81-A85 WeakPolarHBondContact O-CB 3.23Å; A81-A85 PolarHBondContact O-N 3.42Å |
| 82 | A | 95.4 | Very high | 95.1 | Very high | 45 Ų | 45 | 52.9 Ų | 52.9 | 37% | 0.372 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.5 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V78 M79 A85 A86 | V78-A82 VanDerWaalsContact O-CB 3.32Å; V78-A82 WeakPolarHBondContact O-CB 3.24Å; V78-A82 PolarHBondContact O-N 3.24Å; M79-A82 HydrophobicContact CE-CB 4.31Å; M79-A82 CarbonylContact O-C 3.55Å; M79-A82 PolarHBondContact O-N 2.9Å; A82-A85 PolarHBondContact O-N 2.94Å; A82-A86 VanDerWaalsContact O-CB 3.23Å; A82-A86 WeakPolarHBondContact O-CB 3.41Å; A82-A86 PolarHBondContact O-N 2.93Å |
| 83 | E | 93.6 | Very high | 95.1 | Very high | 51 Ų | 51 | 56.4 Ų | 56.4 | 24% | 0.238 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 178.2 | -72.2 | 177 | -150.9 | 0 | 0 | 110.7 | M79 A86 G87 Q190 | M79-E83 WeakPolarHBondContact O-CB 3.3Å; M79-E83 WeakPolarHBondContact O-CG 3.32Å; M79-E83 PolarHBondContact O-N 2.82Å; E83-A86 PolarHBondContact O-N 2.87Å; E83-G87 PolarHBondContact O-N 3.02Å; E83-Q190 PolarHBondContact OE1-NE2 3.33Å; E83-Q190 PolarHBondContact OE2-NE2 2.8Å |
| 84 | T | 94.4 | Very high | 94.9 | Very high | 62 Ų | 62 | 63.9 Ų | 63.9 | 38% | 0.38 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 175 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | V80 A81 G87 I88 | V80-T84 HydrophobicContact CG1-CG2 4.5Å; V80-T84 WeakPolarHBondContact O-CB 3.36Å; V80-T84 VanDerWaalsContact O-CG2 3.28Å; V80-T84 WeakPolarHBondContact O-CG2 3.21Å; V80-T84 PolarHBondContact O-N 2.98Å; V80-T84 PolarHBondContact O-OG1 3.38Å; A81-T84 WeakPolarHBondContact CA-OG1 3.45Å; A81-T84 PolarHBondContact O-OG1 2.73Å; T84-G87 PolarHBondContact O-N 3.01Å; T84-I88 VanDerWaalsContact O-CG1 3.31Å; T84-I88 WeakPolarHBondContact O-CG1 3.48Å; T84-I88 PolarHBondContact O-N 2.9Å |
| 85 | A | 96.2 | Very high | 94.7 | Very high | 55 Ų | 55 | 64.9 Ų | 64.9 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A81 A82 I88 A89 | A81-A85 WeakPolarHBondContact O-CB 3.23Å; A81-A85 PolarHBondContact O-N 3.42Å; A82-A85 PolarHBondContact O-N 2.94Å; A85-I88 PolarHBondContact O-N 3.19Å; A85-A89 VanDerWaalsContact O-CB 3.31Å; A85-A89 WeakPolarHBondContact O-CB 3.28Å; A85-A89 PolarHBondContact O-N 3.05Å |
| 86 | A | 93.7 | Very high | 94.7 | Very high | 59 Ų | 59 | 66.9 Ų | 66.9 | 49% | 0.488 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A82 E83 A89 A90 | A82-A86 VanDerWaalsContact O-CB 3.23Å; A82-A86 WeakPolarHBondContact O-CB 3.41Å; A82-A86 PolarHBondContact O-N 2.93Å; E83-A86 PolarHBondContact O-N 2.87Å; A86-A89 PolarHBondContact O-N 3.27Å; A86-A90 VanDerWaalsContact O-CB 3.31Å; A86-A90 WeakPolarHBondContact O-CB 3.47Å; A86-A90 PolarHBondContact O-N 3.08Å |
| 87 | G | 92.7 | Very high | 94.5 | Very high | 44 Ų | 44 | 70.4 Ų | 70.4 | 45% | 0.454 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E83 T84 A90 A91 | E83-G87 PolarHBondContact O-N 3.02Å; T84-G87 PolarHBondContact O-N 3.01Å; G87-A90 PolarHBondContact O-N 3.39Å; G87-A91 PolarHBondContact O-N 2.84Å; G87-A91 VanDerWaalsContact O-N 3.09Å |
| 88 | I | 94.4 | Very high | 94.3 | Very high | 113 Ų | 113 | 71.9 Ų | 71.9 | 58% | 0.579 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.3 | -47.4 | 175.1 | -65.5 | 163.8 | 0 | 0 | 0 | 110.4 | T84 A85 A90 A91 V92 | T84-I88 VanDerWaalsContact O-CG1 3.31Å; T84-I88 WeakPolarHBondContact O-CG1 3.48Å; T84-I88 PolarHBondContact O-N 2.9Å; A85-I88 PolarHBondContact O-N 3.19Å; I88-A90 PolarHBondContact O-N 2.75Å; I88-A91 PolarHBondContact O-N 2.8Å; I88-A91 VanDerWaalsContact O-N 3.16Å; I88-V92 HydrophobicContact CG2-CG2 4.28Å; I88-V92 WeakPolarHBondContact O-CG2 3.43Å; I88-V92 PolarHBondContact O-N 3.02Å |
| 89 | A | 95.9 | Very high | 94.2 | Very high | 42 Ų | 42 | 72 Ų | 72 | 35% | 0.347 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A85 A86 A91 V92 L93 | A85-A89 VanDerWaalsContact O-CB 3.31Å; A85-A89 WeakPolarHBondContact O-CB 3.28Å; A85-A89 PolarHBondContact O-N 3.05Å; A86-A89 PolarHBondContact O-N 3.27Å; A89-A91 VanDerWaalsContact C-N 3.29Å; A89-A91 PolarHBondContact O-N 3.04Å; A89-V92 PolarHBondContact O-N 2.9Å; A89-L93 HydrophobicContact CB-CD1 4.26Å; A89-L93 WeakPolarHBondContact O-CA 3.46Å; A89-L93 WeakPolarHBondContact O-CB 3.38Å; A89-L93 PolarHBondContact O-N 2.87Å |
| 90 | A | 92.2 | Very high | 94.1 | Very high | 50 Ų | 50 | 77 Ų | 77 | 41% | 0.413 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.7 | -34.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A86 G87 I88 R94 | A86-A90 VanDerWaalsContact O-CB 3.31Å; A86-A90 WeakPolarHBondContact O-CB 3.47Å; A86-A90 PolarHBondContact O-N 3.08Å; G87-A90 PolarHBondContact O-N 3.39Å; I88-A90 PolarHBondContact O-N 2.75Å; A90-R94 WeakPolarHBondContact O-CA 3.22Å; A90-R94 PolarHBondContact O-N 3.15Å |
| 91 | A | 91 | Very high | 93.9 | Very high | 70 Ų | 70 | 78.6 Ų | 78.6 | 58% | 0.579 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.4 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G87 I88 A89 | G87-A91 PolarHBondContact O-N 2.84Å; G87-A91 VanDerWaalsContact O-N 3.09Å; I88-A91 PolarHBondContact O-N 2.8Å; I88-A91 VanDerWaalsContact O-N 3.16Å; A89-A91 VanDerWaalsContact C-N 3.29Å; A89-A91 PolarHBondContact O-N 3.04Å |
| 92 | V | 97.1 | Very high | 93.8 | Very high | 114 Ų | 114 | 77.2 Ų | 77.2 | 69% | 0.691 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -73.5 | -42 | 179.7 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | I88 A89 R94 | I88-V92 HydrophobicContact CG2-CG2 4.28Å; I88-V92 WeakPolarHBondContact O-CG2 3.43Å; I88-V92 PolarHBondContact O-N 3.02Å; A89-V92 PolarHBondContact O-N 2.9Å; V92-R94 PolarHBondContact O-N 2.93Å |
| 93 | L | 95.3 | Very high | 93.6 | Very high | 82 Ų | 82 | 78.4 Ų | 78.4 | 43% | 0.429 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 32.2 | -174.9 | -59.6 | 156.6 | 0 | 0 | 0 | 112 | A89 E95 D96 V97 | A89-L93 HydrophobicContact CB-CD1 4.26Å; A89-L93 WeakPolarHBondContact O-CA 3.46Å; A89-L93 WeakPolarHBondContact O-CB 3.38Å; A89-L93 PolarHBondContact O-N 2.87Å; L93-E95 VanDerWaalsContact C-N 3.27Å; L93-E95 PolarHBondContact O-N 2.96Å; L93-D96 HydrophobicContact CB-CB 4.34Å; L93-D96 WeakPolarHBondContact CD2-OD2 3.35Å; L93-D96 PolarHBondContact O-N 3.48Å; L93-D96 VanDerWaalsContact O-N 3.09Å; L93-V97 WeakPolarHBondContact O-CG2 3.5Å; L93-V97 PolarHBondContact O-N 2.89Å |
| 94 | R | 92.7 | Very high | 93.4 | Very high | 172 Ų | 172 | 78 Ų | 78 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -57.2 | -36.3 | -173.2 | 69.4 | -175 | -173.4 | -155.7 | -5.1 | 114.1 | A90 V92 K98 | A90-R94 WeakPolarHBondContact O-CA 3.22Å; A90-R94 PolarHBondContact O-N 3.15Å; V92-R94 PolarHBondContact O-N 2.93Å; R94-K98 WeakPolarHBondContact O-CB 3.43Å; R94-K98 PolarHBondContact O-N 3.38Å |
| 95 | E | 94.4 | Very high | 93.4 | Very high | 105 Ų | 105 | 75.7 Ų | 75.7 | 49% | 0.491 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.4 | -36 | 179.2 | -59.9 | -55.2 | 150.8 | 0 | 0 | 111.5 | L93 K98 T99 | L93-E95 VanDerWaalsContact C-N 3.27Å; L93-E95 PolarHBondContact O-N 2.96Å; E95-K98 PolarHBondContact O-N 2.92Å; E95-T99 WeakPolarHBondContact O-CB 3.4Å; E95-T99 PolarHBondContact O-N 3.29Å; E95-T99 PolarHBondContact O-OG1 3.35Å |
| 96 | D | 95 | Very high | 93.2 | Very high | 85 Ų | 85 | 78 Ų | 78 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 175.9 | -65.2 | -36.1 | 0 | 0 | 0 | 110.8 | L93 K98 T99 Q100 | L93-D96 HydrophobicContact CB-CB 4.34Å; L93-D96 WeakPolarHBondContact CD2-OD2 3.35Å; L93-D96 PolarHBondContact O-N 3.48Å; L93-D96 VanDerWaalsContact O-N 3.09Å; D96-K98 VanDerWaalsContact C-N 3.3Å; D96-K98 PolarHBondContact O-N 3.4Å; D96-T99 PolarHBondContact O-N 3.46Å; D96-T99 VanDerWaalsContact O-N 3.16Å; D96-Q100 WeakPolarHBondContact O-CB 3.39Å; D96-Q100 WeakPolarHBondContact O-CG 3.38Å; D96-Q100 PolarHBondContact O-N 3.48Å |
| 97 | V | 91.8 | Very high | 93 | Very high | 76 Ų | 76 | 76 Ų | 76 | 46% | 0.461 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | L93 Q100 F101 | L93-V97 WeakPolarHBondContact O-CG2 3.5Å; L93-V97 PolarHBondContact O-N 2.89Å; V97-Q100 PolarHBondContact O-N 2.79Å; V97-F101 PolarHBondContact O-N 3.4Å |
| 98 | K | 92.7 | Very high | 92.9 | Very high | 84 Ų | 84 | 75.2 Ų | 75.2 | 37% | 0.365 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 174.9 | 176.9 | 174.2 | 178.2 | -168.2 | 0 | 111.4 | R94 E95 D96 Q100 F101 L102 I169 | R94-K98 WeakPolarHBondContact O-CB 3.43Å; R94-K98 PolarHBondContact O-N 3.38Å; E95-K98 PolarHBondContact O-N 2.92Å; D96-K98 VanDerWaalsContact C-N 3.3Å; D96-K98 PolarHBondContact O-N 3.4Å; K98-Q100 PolarHBondContact O-N 3.45Å; K98-F101 WeakPolarHBondContact O-CB 3.42Å; K98-F101 PolarHBondContact O-N 2.97Å; K98-L102 HydrophobicContact CG-CD1 3.92Å; K98-L102 WeakPolarHBondContact O-CD1 3.34Å; K98-L102 PolarHBondContact O-N 3.43Å; K98-I169 HydrophobicContact CD-CD1 4.31Å; K98-I169 HydrophobicContact CG-CD1 3.82Å |
| 99 | T | 94.6 | Very high | 92.8 | Very high | 87 Ų | 87 | 70 Ų | 70 | 53% | 0.534 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | -179.1 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | E95 D96 L102 S103 | E95-T99 WeakPolarHBondContact O-CB 3.4Å; E95-T99 PolarHBondContact O-N 3.29Å; E95-T99 PolarHBondContact O-OG1 3.35Å; D96-T99 PolarHBondContact O-N 3.46Å; D96-T99 VanDerWaalsContact O-N 3.16Å; T99-L102 PolarHBondContact O-N 2.81Å; T99-S103 PolarHBondContact O-N 3.06Å |
| 100 | Q | 91.3 | Very high | 92.6 | Very high | 138 Ų | 138 | 70.3 Ų | 70.3 | 65% | 0.645 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 174.3 | -72.8 | -176.9 | 24.4 | 0 | 0 | 111.8 | D96 V97 K98 S103 L104 | D96-Q100 WeakPolarHBondContact O-CB 3.39Å; D96-Q100 WeakPolarHBondContact O-CG 3.38Å; D96-Q100 PolarHBondContact O-N 3.48Å; V97-Q100 PolarHBondContact O-N 2.79Å; K98-Q100 PolarHBondContact O-N 3.45Å; Q100-S103 PolarHBondContact O-N 2.98Å; Q100-L104 WeakPolarHBondContact O-CB 3.24Å; Q100-L104 PolarHBondContact O-N 3.01Å |
| 101 | F | 92.2 | Very high | 92.4 | Very high | 61 Ų | 61 | 68.7 Ų | 68.7 | 27% | 0.268 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 174.9 | 179.8 | -103 | 0 | 0 | 0 | 111.9 | V97 K98 S103 L104 V105 V168 I169 | V97-F101 PolarHBondContact O-N 3.4Å; K98-F101 WeakPolarHBondContact O-CB 3.42Å; K98-F101 PolarHBondContact O-N 2.97Å; F101-S103 VanDerWaalsContact C-N 3.32Å; F101-S103 PolarHBondContact O-N 3.14Å; F101-L104 WeakPolarHBondContact O-CB 3.38Å; F101-L104 PolarHBondContact O-N 3.02Å; F101-V105 HydrophobicContact CD1-CG2 4.41Å; F101-V105 HydrophobicContact CE1-CG2 3.95Å; F101-V105 HydrophobicContact CE2-CG2 4.1Å; F101-V105 HydrophobicContact CZ-CG2 3.76Å; F101-V105 WeakPolarHBondContact O-CG2 3.28Å; F101-V105 PolarHBondContact O-N 3.21Å; F101-V168 HydrophobicContact CE1-CB 4.26Å; F101-V168 HydrophobicContact CE1-CG1 4.15Å; F101-V168 HydrophobicContact CZ-CB 4.09Å; F101-V168 HydrophobicContact CZ-CG1 3.6Å; F101-I169 HydrophobicContact CD1-CD1 3.91Å; F101-I169 HydrophobicContact CD1-CG1 3.92Å; F101-I169 HydrophobicContact CE1-CD1 4.33Å; F101-I169 HydrophobicContact CE1-CG1 4.02Å |
| 102 | L | 93.8 | Very high | 92.4 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 174.9 | -94.2 | 66.3 | 0 | 0 | 0 | 111.7 | K98 T99 L104 V105 K106 S134 E135 I169 | K98-L102 HydrophobicContact CG-CD1 3.92Å; K98-L102 WeakPolarHBondContact O-CD1 3.34Å; K98-L102 PolarHBondContact O-N 3.43Å; T99-L102 PolarHBondContact O-N 2.81Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-V105 PolarHBondContact O-N 3.02Å; L102-K106 VanDerWaalsContact O-CB 3.29Å; L102-K106 WeakPolarHBondContact O-CB 3.34Å; L102-K106 PolarHBondContact O-N 3.02Å; L102-S134 PolarHBondContact O-OG 2.86Å; L102-S134 VanDerWaalsContact O-OG 3.05Å; L102-E135 HydrophobicContact CD2-CG 4.11Å; L102-I169 HydrophobicContact CD1-CD1 3.78Å |
| 103 | S | 91.1 | Very high | 92.1 | Very high | 70 Ų | 70 | 64.6 Ų | 64.6 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 177.3 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | T99 Q100 F101 K106 S107 | T99-S103 PolarHBondContact O-N 3.06Å; Q100-S103 PolarHBondContact O-N 2.98Å; F101-S103 VanDerWaalsContact C-N 3.32Å; F101-S103 PolarHBondContact O-N 3.14Å; S103-K106 PolarHBondContact O-N 3.42Å; S103-S107 PolarHBondContact O-N 2.94Å |
| 104 | L | 90 | Very high | 91.7 | Very high | 41 Ų | 41 | 66 Ų | 66 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.6 | -47.9 | 176.5 | -180 | 65.5 | 0 | 0 | 0 | 111.4 | N35 Q100 F101 L102 K106 S107 F108 | N35-L104 HydrophobicContact CB-CD1 3.84Å; Q100-L104 WeakPolarHBondContact O-CB 3.24Å; Q100-L104 PolarHBondContact O-N 3.01Å; F101-L104 WeakPolarHBondContact O-CB 3.38Å; F101-L104 PolarHBondContact O-N 3.02Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 3.33Å; L104-S107 PolarHBondContact O-N 3.48Å; L104-S107 PolarHBondContact O-OG 3.36Å; L104-F108 HydrophobicContact CD1-CE1 3.56Å; L104-F108 HydrophobicContact CD1-CZ 3.73Å; L104-F108 HydrophobicContact CD2-CZ 4.33Å; L104-F108 HydrophobicContact CG-CE1 3.99Å; L104-F108 HydrophobicContact CG-CE2 4.46Å; L104-F108 HydrophobicContact CG-CZ 3.8Å; L104-F108 WeakPolarHBondContact O-CD1 3.47Å; L104-F108 PolarHBondContact O-N 3.16Å |
| 105 | V | 92.7 | Very high | 91.2 | Very high | 15 Ų | 15 | 57.9 Ų | 57.9 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 176.9 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | F101 L102 S107 F108 V109 S165 | F101-V105 HydrophobicContact CD1-CG2 4.41Å; F101-V105 HydrophobicContact CE1-CG2 3.95Å; F101-V105 HydrophobicContact CE2-CG2 4.1Å; F101-V105 HydrophobicContact CZ-CG2 3.76Å; F101-V105 WeakPolarHBondContact O-CG2 3.28Å; F101-V105 PolarHBondContact O-N 3.21Å; L102-V105 PolarHBondContact O-N 3.02Å; V105-S107 VanDerWaalsContact C-N 3.33Å; V105-S107 PolarHBondContact O-N 3.08Å; V105-F108 WeakPolarHBondContact O-CB 3.41Å; V105-F108 PolarHBondContact O-N 2.88Å; V105-V109 WeakPolarHBondContact O-CG2 3.34Å; V105-V109 PolarHBondContact O-N 3.02Å; V105-S165 WeakPolarHBondContact CB-OG 3.33Å |
| 106 | K | 92.9 | Very high | 90.9 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 44% | 0.443 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 176.2 | -165.5 | 167.7 | -168 | 158.5 | 0 | 112.5 | L102 S103 L104 F108 V109 S110 E135 | L102-K106 VanDerWaalsContact O-CB 3.29Å; L102-K106 WeakPolarHBondContact O-CB 3.34Å; L102-K106 PolarHBondContact O-N 3.02Å; S103-K106 PolarHBondContact O-N 3.42Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 3.33Å; K106-F108 VanDerWaalsContact C-N 3.33Å; K106-V109 PolarHBondContact O-N 2.97Å; K106-S110 PolarHBondContact O-N 3.39Å; K106-E135 IonicContact NZ-OE2 2.85Å |
| 107 | S | 89.3 | Confident | 90.4 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 173.8 | 85.1 | 0 | 0 | 0 | 0 | 111.2 | D33 S103 L104 V105 V109 S110 E111 | D33-S107 WeakPolarHBondContact OD2-CB 3.31Å; D33-S107 PolarHBondContact OD2-OG 3.43Å; S103-S107 PolarHBondContact O-N 2.94Å; L104-S107 PolarHBondContact O-N 3.48Å; L104-S107 PolarHBondContact O-OG 3.36Å; V105-S107 VanDerWaalsContact C-N 3.33Å; V105-S107 PolarHBondContact O-N 3.08Å; S107-V109 VanDerWaalsContact C-N 3.34Å; S107-V109 PolarHBondContact O-N 2.88Å; S107-S110 PolarHBondContact O-N 2.87Å; S107-S110 PolarHBondContact O-OG 2.97Å; S107-E111 PolarHBondContact O-N 3.39Å; S107-E111 VanDerWaalsContact O-N 3.13Å |
| 108 | F | 89.9 | Confident | 90.1 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.4 | -61.1 | -1.5 | 0 | 0 | 0 | 111.7 | I36 L104 V105 K106 S110 E111 Y112 F121 L122 | I36-F108 HydrophobicContact CD1-CD1 3.53Å; I36-F108 HydrophobicContact CD1-CE1 3.16Å; I36-F108 HydrophobicContact CD1-CZ 4Å; I36-F108 HydrophobicContact CG1-CD1 4.07Å; I36-F108 HydrophobicContact CG1-CE1 3.2Å; I36-F108 HydrophobicContact CG1-CZ 3.86Å; L104-F108 HydrophobicContact CD1-CE1 3.56Å; L104-F108 HydrophobicContact CD1-CZ 3.73Å; L104-F108 HydrophobicContact CD2-CZ 4.33Å; L104-F108 HydrophobicContact CG-CE1 3.99Å; L104-F108 HydrophobicContact CG-CE2 4.46Å; L104-F108 HydrophobicContact CG-CZ 3.8Å; L104-F108 WeakPolarHBondContact O-CD1 3.47Å; L104-F108 PolarHBondContact O-N 3.16Å; V105-F108 WeakPolarHBondContact O-CB 3.41Å; V105-F108 PolarHBondContact O-N 2.88Å; K106-F108 VanDerWaalsContact C-N 3.33Å; F108-S110 VanDerWaalsContact C-N 3.32Å; F108-E111 CarbonylContact O-C 3.32Å; F108-E111 PolarHBondContact O-N 3.47Å; F108-Y112 PolarHBondContact O-N 3.39Å; F108-Y112 VanDerWaalsContact O-N 3.13Å; F108-F121 HydrophobicContact CD2-CD1 4.13Å; F108-F121 AromaticContact CD2-CE1 3.85Å; F108-F121 HydrophobicContact CD2-CE1 3.85Å; F108-F121 HydrophobicContact CE2-CD1 4.43Å; F108-F121 AromaticContact CE2-CE1 3.89Å; F108-F121 HydrophobicContact CE2-CE1 3.89Å; F108-L122 VanDerWaalsContact C-CD1 3.49Å; F108-L122 HydrophobicContact CB-CD1 3.88Å; F108-L122 HydrophobicContact CB-CD2 4.3Å; F108-L122 HydrophobicContact CB-CG 4.25Å; F108-L122 WeakPolarHBondContact O-CD1 3.28Å |
| 109 | V | 93.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 176.3 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | V105 K106 S107 E111 Y112 L122 D139 Y140 Q145 | V105-V109 WeakPolarHBondContact O-CG2 3.34Å; V105-V109 PolarHBondContact O-N 3.02Å; K106-V109 PolarHBondContact O-N 2.97Å; S107-V109 VanDerWaalsContact C-N 3.34Å; S107-V109 PolarHBondContact O-N 2.88Å; V109-E111 VanDerWaalsContact C-N 3.26Å; V109-E111 PolarHBondContact O-N 3.45Å; V109-Y112 WeakPolarHBondContact O-CB 3.42Å; V109-Y112 PolarHBondContact O-N 3.11Å; V109-Y112 VanDerWaalsContact O-N 3.14Å; V109-L122 HydrophobicContact CG2-CD1 4.11Å; V109-L122 HydrophobicContact CG2-CD2 4.48Å; V109-D139 HydrophobicContact CG1-CB 3.97Å; V109-Y140 HydrophobicContact CG1-CD1 3.93Å; V109-Y140 HydrophobicContact CG1-CD2 4.44Å; V109-Y140 HydrophobicContact CG1-CE1 3.71Å; V109-Y140 HydrophobicContact CG1-CE2 4.25Å; V109-Y140 HydrophobicContact CG1-CG 4.29Å; V109-Q145 PolarHBondContact O-OE1 2.83Å |
| 110 | S | 91 | Very high | 89.9 | Confident | 50 Ų | 50 | 55 Ų | 55 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.7 | -33.1 | 178.7 | 72.8 | 0 | 0 | 0 | 0 | 113.7 | K106 S107 F108 Q145 | K106-S110 PolarHBondContact O-N 3.39Å; S107-S110 PolarHBondContact O-N 2.87Å; S107-S110 PolarHBondContact O-OG 2.97Å; F108-S110 VanDerWaalsContact C-N 3.32Å; S110-Q145 PolarHBondContact O-NE2 3.46Å; S110-Q145 VanDerWaalsContact O-NE2 3.1Å |
| 111 | E | 88.3 | Confident | 89.9 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 6.9 | 178.6 | -78.2 | -64.3 | 128.9 | 0 | 0 | 113.6 | S107 F108 V109 D113 K114 N115 F118 | S107-E111 PolarHBondContact O-N 3.39Å; S107-E111 VanDerWaalsContact O-N 3.13Å; F108-E111 CarbonylContact O-C 3.32Å; F108-E111 PolarHBondContact O-N 3.47Å; V109-E111 VanDerWaalsContact C-N 3.26Å; V109-E111 PolarHBondContact O-N 3.45Å; E111-D113 PolarHBondContact O-N 2.91Å; E111-K114 PolarHBondContact O-N 2.93Å; E111-K114 VanDerWaalsContact O-N 3.16Å; E111-K114 WeakPolarHBondContact OE1-CD 3.29Å; E111-K114 IonicContact OE1-NZ 3.42Å; E111-K114 PolarHBondContact OE1-NZ 2.99Å; E111-K114 WeakPolarHBondContact OE2-CB 3.29Å; E111-K114 VanDerWaalsContact OE2-CD 3.29Å; E111-K114 WeakPolarHBondContact OE2-CD 3.46Å; E111-N115 PolarHBondContact O-N 3.3Å; E111-F118 HydrophobicContact CB-CD2 3.64Å; E111-F118 HydrophobicContact CB-CE2 4.03Å |
| 112 | Y | 91.3 | Very high | 90 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -48.6 | -173.6 | 176.4 | -89.4 | 0 | 0 | 0 | 113.3 | F108 V109 K114 K119 L122 D123 Y140 P148 | F108-Y112 PolarHBondContact O-N 3.39Å; F108-Y112 VanDerWaalsContact O-N 3.13Å; V109-Y112 WeakPolarHBondContact O-CB 3.42Å; V109-Y112 PolarHBondContact O-N 3.11Å; V109-Y112 VanDerWaalsContact O-N 3.14Å; Y112-K114 VanDerWaalsContact C-N 3.35Å; Y112-K119 HydrophobicContact CD2-CB 4.46Å; Y112-K119 HydrophobicContact CE1-CD 4.18Å; Y112-K119 HydrophobicContact CE1-CG 4.14Å; Y112-K119 HydrophobicContact CE2-CB 4.25Å; Y112-K119 HydrophobicContact CE2-CG 3.87Å; Y112-K119 WeakPolarHBondContact O-CB 3.42Å; Y112-K119 WeakPolarHBondContact OH-CE 3.44Å; Y112-L122 HydrophobicContact CD2-CB 3.99Å; Y112-L122 HydrophobicContact CD2-CD1 3.82Å; Y112-L122 HydrophobicContact CE2-CB 4.19Å; Y112-D123 WeakPolarHBondContact CE2-OD1 3.45Å; Y112-D123 PolarHBondContact OH-OD1 3.35Å; Y112-D123 PolarHBondContact OH-OD2 2.8Å; Y112-Y140 HydrophobicContact CD1-CE1 4.05Å; Y112-Y140 HydrophobicContact CD2-CE1 4.14Å; Y112-Y140 AromaticContact CG-CE1 3.75Å; Y112-Y140 HydrophobicContact CG-CE1 3.75Å; Y112-P148 HydrophobicContact CD1-CG 4.17Å; Y112-P148 HydrophobicContact CD2-CG 4.48Å; Y112-P148 HydrophobicContact CE1-CB 4.21Å; Y112-P148 HydrophobicContact CE1-CG 3.58Å; Y112-P148 HydrophobicContact CE2-CB 4.36Å; Y112-P148 HydrophobicContact CE2-CG 3.92Å; Y112-P148 VanDerWaalsContact CZ-CG 3.44Å; Y112-P148 WeakPolarHBondContact OH-CB 3.31Å |
| 113 | D | 89.8 | Confident | 90.2 | Very high | 90 Ų | 90 | 51.1 Ų | 51.1 | 48% | 0.481 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -20 | -177.4 | -77.1 | -34.1 | 0 | 0 | 0 | 113.6 | E111 Q145 | E111-D113 PolarHBondContact O-N 2.91Å; D113-Q145 WeakPolarHBondContact OD2-CG 3.42Å |
| 114 | K | 86.9 | Confident | 90.4 | Very high | 111 Ų | 111 | 54.9 Ų | 54.9 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -35.1 | -176.1 | -63.4 | 172.7 | -177.2 | 177.8 | 0 | 112.3 | E31 E111 Y112 | E31-K114 IonicContact OE1-NZ 2.73Å; E31-K114 PolarHBondContact OE1-NZ 3.2Å; E31-K114 IonicContact OE2-NZ 2.78Å; E31-K114 PolarHBondContact OE2-NZ 3.22Å; E111-K114 PolarHBondContact O-N 2.93Å; E111-K114 VanDerWaalsContact O-N 3.16Å; E111-K114 WeakPolarHBondContact OE1-CD 3.29Å; E111-K114 IonicContact OE1-NZ 3.42Å; E111-K114 PolarHBondContact OE1-NZ 2.99Å; E111-K114 WeakPolarHBondContact OE2-CB 3.29Å; E111-K114 VanDerWaalsContact OE2-CD 3.29Å; E111-K114 WeakPolarHBondContact OE2-CD 3.46Å; Y112-K114 VanDerWaalsContact C-N 3.35Å |
| 115 | N | 84.1 | Confident | 90.7 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | trans | -110.8 | 110.1 | -175 | -169.2 | -37.9 | 0 | 0 | 0 | 111.7 | S29 E111 N117 F118 K119 | S29-N115 VanDerWaalsContact CB-ND2 3.34Å; S29-N115 WeakPolarHBondContact CB-ND2 3.5Å; S29-N115 PolarHBondContact OG-ND2 2.96Å; E111-N115 PolarHBondContact O-N 3.3Å; N115-N117 PolarHBondContact O-N 2.89Å; N115-N117 WeakPolarHBondContact OD1-CA 3.21Å; N115-N117 VanDerWaalsContact OD1-CB 3.29Å; N115-N117 WeakPolarHBondContact OD1-CB 3.5Å; N115-N117 PolarHBondContact OD1-N 3.28Å; N115-F118 HydrophobicContact CB-CB 4.04Å; N115-F118 HydrophobicContact CB-CD2 3.59Å; N115-F118 HydrophobicContact CB-CE2 4.04Å; N115-F118 HydrophobicContact CB-CG 3.85Å; N115-F118 WeakPolarHBondContact ND2-CE2 3.36Å; N115-F118 VanDerWaalsContact ND2-CZ 3.29Å; N115-F118 WeakPolarHBondContact ND2-CZ 3.49Å; N115-F118 PolarHBondContact O-N 2.95Å; N115-F118 VanDerWaalsContact O-N 3.12Å; N115-F118 PolarHBondContact OD1-N 3.27Å; N115-K119 WeakPolarHBondContact O-CB 3.48Å; N115-K119 PolarHBondContact O-N 2.8Å | ||
| 116 | P | 86.4 | Confident | 90.9 | Very high | 62 Ų | 62 | 53.9 Ų | 53.9 | 40% | 0.403 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -26.7 | -179.8 | 25.3 | -34.3 | 0 | 0 | 0 | 113.5 | Y28 K120 | Y28-P116 HydrophobicContact CD1-CG 3.47Å; Y28-P116 VanDerWaalsContact CD1-CG 3.47Å; Y28-P116 HydrophobicContact CE1-CG 4.23Å; Y28-P116 HydrophobicContact CG-CG 3.88Å; P116-K120 WeakPolarHBondContact O-CB 3.39Å; P116-K120 PolarHBondContact O-N 2.68Å |
| 117 | N | 84.1 | Confident | 91.1 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -72.6 | -42 | 175.5 | -62.9 | -59.3 | 0 | 0 | 0 | 111.1 | A24 Y28 N115 K120 F121 | A24-N117 PolarHBondContact O-ND2 3.44Å; Y28-N117 VanDerWaalsContact CD2-ND2 3.34Å; Y28-N117 WeakPolarHBondContact CD2-ND2 3.38Å; N115-N117 PolarHBondContact O-N 2.89Å; N115-N117 WeakPolarHBondContact OD1-CA 3.21Å; N115-N117 VanDerWaalsContact OD1-CB 3.29Å; N115-N117 WeakPolarHBondContact OD1-CB 3.5Å; N115-N117 PolarHBondContact OD1-N 3.28Å; N117-K120 PolarHBondContact O-N 3.33Å; N117-F121 VanDerWaalsContact O-CB 3.29Å; N117-F121 WeakPolarHBondContact O-CB 3.31Å; N117-F121 PolarHBondContact O-N 3.38Å |
| 118 | F | 87.2 | Confident | 91.4 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 7% | 0.066 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 175.5 | -59.6 | -12.7 | 0 | 0 | 0 | 111.2 | I25 I36 E111 N115 K120 F121 L122 | I25-F118 HydrophobicContact CD1-CE1 4.01Å; I25-F118 HydrophobicContact CD1-CZ 4.34Å; I25-F118 HydrophobicContact CG1-CE1 4.38Å; I25-F118 HydrophobicContact CG2-CZ 4.5Å; I36-F118 HydrophobicContact CD1-CD1 4.39Å; I36-F118 HydrophobicContact CD1-CD2 4.36Å; I36-F118 HydrophobicContact CD1-CE1 3.49Å; I36-F118 VanDerWaalsContact CD1-CE1 3.49Å; I36-F118 HydrophobicContact CD1-CE2 3.44Å; I36-F118 VanDerWaalsContact CD1-CE2 3.44Å; I36-F118 HydrophobicContact CD1-CZ 2.97Å; I36-F118 HydrophobicContact CG1-CZ 4.38Å; E111-F118 HydrophobicContact CB-CD2 3.64Å; E111-F118 HydrophobicContact CB-CE2 4.03Å; N115-F118 HydrophobicContact CB-CB 4.04Å; N115-F118 HydrophobicContact CB-CD2 3.59Å; N115-F118 HydrophobicContact CB-CE2 4.04Å; N115-F118 HydrophobicContact CB-CG 3.85Å; N115-F118 WeakPolarHBondContact ND2-CE2 3.36Å; N115-F118 VanDerWaalsContact ND2-CZ 3.29Å; N115-F118 WeakPolarHBondContact ND2-CZ 3.49Å; N115-F118 PolarHBondContact O-N 2.95Å; N115-F118 VanDerWaalsContact O-N 3.12Å; N115-F118 PolarHBondContact OD1-N 3.27Å; F118-K120 PolarHBondContact O-N 2.95Å; F118-F121 PolarHBondContact O-N 2.88Å; F118-L122 VanDerWaalsContact O-CB 3.32Å; F118-L122 WeakPolarHBondContact O-CB 3.31Å; F118-L122 PolarHBondContact O-N 3.3Å |
| 119 | K | 91.9 | Very high | 91.7 | Very high | 87 Ų | 87 | 61.6 Ų | 61.6 | 38% | 0.378 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -51.8 | -54.5 | 169.7 | -178.1 | 160.9 | -172.9 | 165.8 | 0 | 111.8 | Y112 N115 F121 D123 | Y112-K119 HydrophobicContact CD2-CB 4.46Å; Y112-K119 HydrophobicContact CE1-CD 4.18Å; Y112-K119 HydrophobicContact CE1-CG 4.14Å; Y112-K119 HydrophobicContact CE2-CB 4.25Å; Y112-K119 HydrophobicContact CE2-CG 3.87Å; Y112-K119 WeakPolarHBondContact O-CB 3.42Å; Y112-K119 WeakPolarHBondContact OH-CE 3.44Å; N115-K119 WeakPolarHBondContact O-CB 3.48Å; N115-K119 PolarHBondContact O-N 2.8Å; K119-F121 PolarHBondContact O-N 2.94Å; K119-D123 WeakPolarHBondContact O-CB 3.48Å; K119-D123 PolarHBondContact O-N 2.84Å |
| 120 | K | 91.3 | Very high | 91.8 | Very high | 160 Ų | 160 | 66.6 Ų | 66.6 | 70% | 0.696 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63 | -40.7 | 179.9 | -172.6 | 179.7 | -179.8 | 179.7 | 0 | 112.4 | P116 N117 F118 K124 | P116-K120 WeakPolarHBondContact O-CB 3.39Å; P116-K120 PolarHBondContact O-N 2.68Å; N117-K120 PolarHBondContact O-N 3.33Å; F118-K120 PolarHBondContact O-N 2.95Å; K120-K124 PolarHBondContact O-N 3.37Å; K120-K124 VanDerWaalsContact O-N 3.17Å |
| 121 | F | 90.6 | Very high | 92.1 | Very high | 103 Ų | 103 | 64.2 Ų | 64.2 | 45% | 0.452 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.2 | -52.4 | 178.3 | 175.7 | -105.5 | 0 | 0 | 0 | 111.6 | F108 N117 F118 K119 K124 I125 | F108-F121 HydrophobicContact CD2-CD1 4.13Å; F108-F121 AromaticContact CD2-CE1 3.85Å; F108-F121 HydrophobicContact CD2-CE1 3.85Å; F108-F121 HydrophobicContact CE2-CD1 4.43Å; F108-F121 AromaticContact CE2-CE1 3.89Å; F108-F121 HydrophobicContact CE2-CE1 3.89Å; N117-F121 VanDerWaalsContact O-CB 3.29Å; N117-F121 WeakPolarHBondContact O-CB 3.31Å; N117-F121 PolarHBondContact O-N 3.38Å; F118-F121 PolarHBondContact O-N 2.88Å; K119-F121 PolarHBondContact O-N 2.94Å; F121-K124 WeakPolarHBondContact O-CB 3.29Å; F121-K124 PolarHBondContact O-N 2.99Å; F121-I125 HydrophobicContact CE1-CG1 4.21Å; F121-I125 HydrophobicContact CE2-CD1 4.4Å; F121-I125 HydrophobicContact CE2-CG1 4.21Å; F121-I125 HydrophobicContact CZ-CD1 4.34Å; F121-I125 HydrophobicContact CZ-CG1 4.01Å; F121-I125 WeakPolarHBondContact O-CG1 3.48Å; F121-I125 PolarHBondContact O-N 3.2Å |
| 122 | L | 94.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 178 | -76.2 | 174.6 | 0 | 0 | 0 | 111.9 | F108 V109 Y112 F118 K124 I125 Q126 | F108-L122 VanDerWaalsContact C-CD1 3.49Å; F108-L122 HydrophobicContact CB-CD1 3.88Å; F108-L122 HydrophobicContact CB-CD2 4.3Å; F108-L122 HydrophobicContact CB-CG 4.25Å; F108-L122 WeakPolarHBondContact O-CD1 3.28Å; V109-L122 HydrophobicContact CG2-CD1 4.11Å; V109-L122 HydrophobicContact CG2-CD2 4.48Å; Y112-L122 HydrophobicContact CD2-CB 3.99Å; Y112-L122 HydrophobicContact CD2-CD1 3.82Å; Y112-L122 HydrophobicContact CE2-CB 4.19Å; F118-L122 VanDerWaalsContact O-CB 3.32Å; F118-L122 WeakPolarHBondContact O-CB 3.31Å; F118-L122 PolarHBondContact O-N 3.3Å; L122-K124 PolarHBondContact O-N 3.16Å; L122-I125 PolarHBondContact O-N 3.44Å; L122-Q126 VanDerWaalsContact O-CB 3.3Å; L122-Q126 WeakPolarHBondContact O-CB 3.41Å; L122-Q126 WeakPolarHBondContact O-CG 3.32Å; L122-Q126 PolarHBondContact O-N 3.48Å |
| 123 | D | 97.2 | Very high | 92.8 | Very high | 37 Ų | 37 | 63 Ų | 63 | 20% | 0.198 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.8 | -39.2 | 174.8 | -80.1 | -12.2 | 0 | 0 | 0 | 111.8 | Y112 K119 R127 S150 | Y112-D123 WeakPolarHBondContact CE2-OD1 3.45Å; Y112-D123 PolarHBondContact OH-OD1 3.35Å; Y112-D123 PolarHBondContact OH-OD2 2.8Å; K119-D123 WeakPolarHBondContact O-CB 3.48Å; K119-D123 PolarHBondContact O-N 2.84Å; D123-R127 WeakPolarHBondContact O-CB 3.47Å; D123-R127 VanDerWaalsContact O-CG 3.26Å; D123-R127 WeakPolarHBondContact O-CG 3.11Å; D123-R127 PolarHBondContact O-N 3.09Å; D123-S150 VanDerWaalsContact OD1-CB 3.23Å; D123-S150 WeakPolarHBondContact OD1-CB 3.21Å; D123-S150 PolarHBondContact OD1-OG 3.42Å |
| 124 | K | 95.9 | Very high | 93.1 | Very high | 149 Ų | 149 | 58.8 Ų | 58.8 | 65% | 0.648 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -66.9 | -48.9 | 175.7 | -173.2 | 177.1 | -179.5 | -178.4 | 0 | 111.1 | K120 F121 L122 Q126 R127 E128 | K120-K124 PolarHBondContact O-N 3.37Å; K120-K124 VanDerWaalsContact O-N 3.17Å; F121-K124 WeakPolarHBondContact O-CB 3.29Å; F121-K124 PolarHBondContact O-N 2.99Å; L122-K124 PolarHBondContact O-N 3.16Å; K124-Q126 PolarHBondContact O-N 2.78Å; K124-R127 PolarHBondContact O-N 2.68Å; K124-E128 VanDerWaalsContact O-CB 3.23Å; K124-E128 WeakPolarHBondContact O-CB 3.4Å; K124-E128 PolarHBondContact O-N 3.13Å |
| 125 | I | 96.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.179 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 179.6 | -65.8 | -63 | 0 | 0 | 0 | 111.2 | F121 L122 R127 E128 F129 C164 V168 | F121-I125 HydrophobicContact CE1-CG1 4.21Å; F121-I125 HydrophobicContact CE2-CD1 4.4Å; F121-I125 HydrophobicContact CE2-CG1 4.21Å; F121-I125 HydrophobicContact CZ-CD1 4.34Å; F121-I125 HydrophobicContact CZ-CG1 4.01Å; F121-I125 WeakPolarHBondContact O-CG1 3.48Å; F121-I125 PolarHBondContact O-N 3.2Å; L122-I125 PolarHBondContact O-N 3.44Å; I125-R127 PolarHBondContact O-N 3.39Å; I125-E128 PolarHBondContact O-N 3.17Å; I125-F129 HydrophobicContact CD1-CD2 4.27Å; I125-F129 HydrophobicContact CD1-CE2 4.01Å; I125-F129 HydrophobicContact CG2-CD2 4.02Å; I125-F129 WeakPolarHBondContact O-CB 3.38Å; I125-F129 WeakPolarHBondContact O-CD2 3.36Å; I125-F129 PolarHBondContact O-N 3.43Å; I125-C164 HydrophobicContact CG2-CB 4.12Å; I125-V168 HydrophobicContact CG2-CG2 4.37Å |
| 126 | Q | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | -178.9 | -71.6 | 178 | 157.9 | 0 | 0 | 112.3 | L122 K124 Q130 C131 G133 Y140 S150 C151 | L122-Q126 VanDerWaalsContact O-CB 3.3Å; L122-Q126 WeakPolarHBondContact O-CB 3.41Å; L122-Q126 WeakPolarHBondContact O-CG 3.32Å; L122-Q126 PolarHBondContact O-N 3.48Å; K124-Q126 PolarHBondContact O-N 2.78Å; Q126-Q130 VanDerWaalsContact O-CA 3.25Å; Q126-Q130 WeakPolarHBondContact O-CA 3.49Å; Q126-Q130 PolarHBondContact O-N 3.25Å; Q126-C131 WeakPolarHBondContact CA-O 3.46Å; Q126-C131 VanDerWaalsContact CB-O 3.31Å; Q126-C131 WeakPolarHBondContact CB-O 3.3Å; Q126-C131 WeakPolarHBondContact CG-O 3.37Å; Q126-C131 PolarHBondContact O-N 2.89Å; Q126-C131 VanDerWaalsContact O-N 3.11Å; Q126-G133 VanDerWaalsContact OE1-N 3.17Å; Q126-Y140 PolarHBondContact OE1-OH 3.27Å; Q126-S150 PolarHBondContact NE2-OG 3.16Å; Q126-C151 PolarHBondContact NE2-SG 3.04Å; Q126-C151 VanDerWaalsContact NE2-SG 3.42Å; Q126-C151 PolarHBondContact OE1-SG 3.01Å; Q126-C151 VanDerWaalsContact OE1-SG 3.39Å |
| 127 | R | 96.1 | Very high | 94.6 | Very high | 121 Ų | 121 | 57.5 Ų | 57.5 | 46% | 0.457 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.8 | -46.1 | 175.3 | -70 | 179.1 | -168.7 | -70.4 | -1 | 112.5 | D123 K124 I125 | D123-R127 WeakPolarHBondContact O-CB 3.47Å; D123-R127 VanDerWaalsContact O-CG 3.26Å; D123-R127 WeakPolarHBondContact O-CG 3.11Å; D123-R127 PolarHBondContact O-N 3.09Å; K124-R127 PolarHBondContact O-N 2.68Å; I125-R127 PolarHBondContact O-N 3.39Å |
| 128 | E | 95.1 | Very high | 95.1 | Very high | 142 Ų | 142 | 59.5 Ų | 59.5 | 66% | 0.664 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66.9 | -43.9 | -175.4 | -168.2 | 69.3 | -157.2 | 0 | 0 | 111.8 | K124 I125 | K124-E128 VanDerWaalsContact O-CB 3.23Å; K124-E128 WeakPolarHBondContact O-CB 3.4Å; K124-E128 PolarHBondContact O-N 3.13Å; I125-E128 PolarHBondContact O-N 3.17Å |
| 129 | F | 95.7 | Very high | 95.5 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -95.6 | 0.7 | -177.6 | -70.4 | -84.1 | 0 | 0 | 0 | 113.8 | I125 C131 K167 V168 F171 | I125-F129 HydrophobicContact CD1-CD2 4.27Å; I125-F129 HydrophobicContact CD1-CE2 4.01Å; I125-F129 HydrophobicContact CG2-CD2 4.02Å; I125-F129 WeakPolarHBondContact O-CB 3.38Å; I125-F129 WeakPolarHBondContact O-CD2 3.36Å; I125-F129 PolarHBondContact O-N 3.43Å; F129-C131 VanDerWaalsContact C-N 3.32Å; F129-C131 HydrophobicContact CB-CB 4.45Å; F129-C131 PolarHBondContact O-N 3.47Å; F129-K167 HydrophobicContact CB-CB 4.21Å; F129-V168 HydrophobicContact CD2-CG2 4.39Å; F129-V168 HydrophobicContact CE2-CG2 4.41Å; F129-F171 HydrophobicContact CE1-CB 3.73Å; F129-F171 HydrophobicContact CE1-CD1 4.27Å; F129-F171 AromaticContact CE1-CD2 3.79Å; F129-F171 HydrophobicContact CE1-CD2 3.79Å; F129-F171 HydrophobicContact CE1-CE2 4.46Å; F129-F171 AromaticContact CE1-CG 3.67Å; F129-F171 HydrophobicContact CE1-CG 3.67Å; F129-F171 HydrophobicContact CZ-CD1 4.38Å; F129-F171 HydrophobicContact CZ-CD2 4.42Å; F129-F171 HydrophobicContact CZ-CG 4.21Å |
| 130 | Q | 96.6 | Very high | 95.7 | Very high | 107 Ų | 107 | 55.4 Ų | 55.4 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 54.1 | -179.4 | -60.8 | -176.2 | -31.4 | 0 | 0 | 111.5 | Q126 Y160 | Q126-Q130 VanDerWaalsContact O-CA 3.25Å; Q126-Q130 WeakPolarHBondContact O-CA 3.49Å; Q126-Q130 PolarHBondContact O-N 3.25Å; Q130-Y160 VanDerWaalsContact C-CD2 3.5Å; Q130-Y160 VanDerWaalsContact C-CG 3.41Å; Q130-Y160 HydrophobicContact CB-CD1 3.95Å; Q130-Y160 HydrophobicContact CB-CE1 3.62Å; Q130-Y160 HydrophobicContact CB-CE2 4.25Å; Q130-Y160 HydrophobicContact CB-CG 4.4Å; Q130-Y160 HydrophobicContact CG-CE1 4.06Å; Q130-Y160 WeakPolarHBondContact O-CB 3.26Å |
| 131 | C | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -134.3 | 166.9 | -173.1 | 64 | 0 | 0 | 0 | 0 | 110.5 | Q126 F129 D162 C164 K167 | Q126-C131 WeakPolarHBondContact CA-O 3.46Å; Q126-C131 VanDerWaalsContact CB-O 3.31Å; Q126-C131 WeakPolarHBondContact CB-O 3.3Å; Q126-C131 WeakPolarHBondContact CG-O 3.37Å; Q126-C131 PolarHBondContact O-N 2.89Å; Q126-C131 VanDerWaalsContact O-N 3.11Å; F129-C131 VanDerWaalsContact C-N 3.32Å; F129-C131 HydrophobicContact CB-CB 4.45Å; F129-C131 PolarHBondContact O-N 3.47Å; C131-D162 CarbonylContact C-O 3.42Å; C131-D162 WeakPolarHBondContact CA-O 3.47Å; C131-D162 WeakPolarHBondContact CB-O 3.2Å; C131-C164 VanDerWaalsContact C-SG 3.54Å; C131-C164 HydrophobicContact CB-CB 3.91Å; C131-C164 WeakPolarHBondContact CB-SG 3.2Å; C131-C164 WeakPolarHBondContact SG-CA 3.23Å; C131-C164 WeakPolarHBondContact SG-CB 3.44Å; C131-C164 CovalentContact SG-SG 2.04Å; C131-C164 PolarHBondContact SG-SG 3.29Å; C131-K167 HydrophobicContact CB-CB 4.39Å; C131-K167 HydrophobicContact CB-CG 3.99Å | ||
| 132 | C | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -142 | 133.5 | 176.1 | -168 | 0 | 0 | 0 | 0 | 112.3 | S136 S137 C151 D162 | C132-S136 CarbonylContact O-C 3.56Å; C132-S136 WeakPolarHBondContact O-CA 3.4Å; C132-S137 PolarHBondContact O-N 3.4Å; C132-S137 VanDerWaalsContact SG-CB 3.55Å; C132-C151 WeakPolarHBondContact CA-SG 3.44Å; C132-C151 HydrophobicContact CB-CB 3.56Å; C132-C151 WeakPolarHBondContact CB-SG 3.49Å; C132-C151 WeakPolarHBondContact SG-CB 3.29Å; C132-C151 CovalentContact SG-SG 2.04Å; C132-C151 PolarHBondContact SG-SG 2.98Å; C132-D162 PolarHBondContact N-O 3.44Å | ||
| 133 | G | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 67.3 | -165.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q126 C164 | Q126-G133 VanDerWaalsContact OE1-N 3.17Å; G133-C164 WeakPolarHBondContact O-CB 3.32Å; G133-C164 PolarHBondContact O-N 3.22Å; G133-C164 PolarHBondContact O-SG 3.31Å; G133-C164 VanDerWaalsContact O-SG 3.36Å |
| 134 | S | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -79.9 | -58.5 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | L102 D139 G163 C164 S165 | L102-S134 PolarHBondContact O-OG 2.86Å; L102-S134 VanDerWaalsContact O-OG 3.05Å; S134-D139 WeakPolarHBondContact CA-OD2 3.45Å; S134-D139 WeakPolarHBondContact CB-OD2 3.48Å; S134-D139 PolarHBondContact N-OD2 2.88Å; S134-G163 CarbonylContact O-C 3.58Å; S134-G163 WeakPolarHBondContact O-CA 3.39Å; S134-C164 PolarHBondContact O-N 2.91Å; S134-C164 VanDerWaalsContact O-N 3.13Å; S134-S165 VanDerWaalsContact O-CB 3.22Å; S134-S165 WeakPolarHBondContact O-CB 3.44Å; S134-S165 PolarHBondContact O-N 3.05Å; S134-S165 PolarHBondContact O-OG 3.28Å; S134-S165 PolarHBondContact OG-OG 3Å |
| 135 | E | 96.8 | Very high | 95.7 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -105.5 | -32.8 | -179 | -62.2 | -176.5 | 87.3 | 0 | 0 | 111.6 | L102 K106 D139 G163 | L102-E135 HydrophobicContact CD2-CG 4.11Å; K106-E135 IonicContact NZ-OE2 2.85Å; E135-D139 PolarHBondContact N-OD2 3.19Å; E135-G163 WeakPolarHBondContact O-CA 3.3Å; E135-G163 PolarHBondContact O-N 3Å |
| 136 | S | 96.4 | Very high | 95.6 | Very high | 30 Ų | 30 | 62 Ų | 62 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | trans | -165.4 | 172.9 | 175 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | C132 N138 D139 | C132-S136 CarbonylContact O-C 3.56Å; C132-S136 WeakPolarHBondContact O-CA 3.4Å; S136-N138 PolarHBondContact O-N 2.97Å; S136-N138 VanDerWaalsContact O-N 3.11Å; S136-N138 WeakPolarHBondContact OG-CB 3.43Å; S136-N138 PolarHBondContact OG-N 2.96Å; S136-D139 PolarHBondContact N-OD2 3.12Å; S136-D139 WeakPolarHBondContact O-CB 3.29Å; S136-D139 PolarHBondContact O-N 3.44Å | ||
| 137 | S | 94.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 63.8 Ų | 63.8 | 15% | 0.154 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.9 | 172.1 | 60.1 | 0 | 0 | 0 | 0 | 114.1 | C132 D139 Y140 | C132-S137 PolarHBondContact O-N 3.4Å; C132-S137 VanDerWaalsContact SG-CB 3.55Å; S137-D139 PolarHBondContact O-N 3.16Å; S137-Y140 PolarHBondContact O-N 2.96Å |
| 138 | N | 95.5 | Very high | 95.5 | Very high | 95 Ų | 95 | 58.4 Ų | 58.4 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.9 | -17.1 | 175.2 | -67.9 | -27.5 | 0 | 0 | 0 | 113 | S136 Y140 T141 S142 | S136-N138 PolarHBondContact O-N 2.97Å; S136-N138 VanDerWaalsContact O-N 3.11Å; S136-N138 WeakPolarHBondContact OG-CB 3.43Å; S136-N138 PolarHBondContact OG-N 2.96Å; N138-Y140 PolarHBondContact O-N 3.33Å; N138-T141 WeakPolarHBondContact CA-OG1 3.32Å; N138-T141 PolarHBondContact O-N 3.45Å; N138-T141 PolarHBondContact O-OG1 3.01Å; N138-S142 VanDerWaalsContact O-CB 3.24Å; N138-S142 WeakPolarHBondContact O-CB 3.16Å; N138-S142 PolarHBondContact O-N 2.89Å; N138-S142 PolarHBondContact O-OG 3.45Å |
| 139 | D | 95.8 | Very high | 95.5 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 9% | 0.086 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -36 | 177.4 | -68.8 | -33.5 | 0 | 0 | 0 | 111.7 | V109 S134 E135 S136 S137 I143 | V109-D139 HydrophobicContact CG1-CB 3.97Å; S134-D139 WeakPolarHBondContact CA-OD2 3.45Å; S134-D139 WeakPolarHBondContact CB-OD2 3.48Å; S134-D139 PolarHBondContact N-OD2 2.88Å; E135-D139 PolarHBondContact N-OD2 3.19Å; S136-D139 PolarHBondContact N-OD2 3.12Å; S136-D139 WeakPolarHBondContact O-CB 3.29Å; S136-D139 PolarHBondContact O-N 3.44Å; S137-D139 PolarHBondContact O-N 3.16Å; D139-I143 WeakPolarHBondContact O-CG1 3.33Å |
| 140 | Y | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.7 | -48.1 | 174.5 | -69 | -75.5 | 0 | 0 | 0 | 111.8 | V109 Y112 Q126 S137 N138 S142 I143 R144 Q145 P148 | V109-Y140 HydrophobicContact CG1-CD1 3.93Å; V109-Y140 HydrophobicContact CG1-CD2 4.44Å; V109-Y140 HydrophobicContact CG1-CE1 3.71Å; V109-Y140 HydrophobicContact CG1-CE2 4.25Å; V109-Y140 HydrophobicContact CG1-CG 4.29Å; Y112-Y140 HydrophobicContact CD1-CE1 4.05Å; Y112-Y140 HydrophobicContact CD2-CE1 4.14Å; Y112-Y140 AromaticContact CG-CE1 3.75Å; Y112-Y140 HydrophobicContact CG-CE1 3.75Å; Q126-Y140 PolarHBondContact OE1-OH 3.27Å; S137-Y140 PolarHBondContact O-N 2.96Å; N138-Y140 PolarHBondContact O-N 3.33Å; Y140-S142 VanDerWaalsContact C-N 3.3Å; Y140-S142 PolarHBondContact O-N 2.79Å; Y140-I143 CarbonylContact O-C 3.07Å; Y140-I143 WeakPolarHBondContact O-CG1 3.42Å; Y140-I143 PolarHBondContact O-N 3.17Å; Y140-R144 PolarHBondContact O-N 3.09Å; Y140-Q145 CarbonylContact C-O 3.49Å; Y140-Q145 HydrophobicContact CD1-CB 4.21Å; Y140-Q145 WeakPolarHBondContact O-CB 3.18Å; Y140-Q145 PolarHBondContact O-N 2.93Å; Y140-P148 HydrophobicContact CD1-CG 4.24Å; Y140-P148 HydrophobicContact CD2-CG 4.44Å; Y140-P148 HydrophobicContact CE1-CG 3.72Å; Y140-P148 HydrophobicContact CE2-CG 3.94Å |
| 141 | T | 94.6 | Very high | 95.5 | Very high | 67 Ų | 67 | 49.5 Ų | 49.5 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.1 | -30.8 | -175.2 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | N138 I143 R144 I147 | N138-T141 WeakPolarHBondContact CA-OG1 3.32Å; N138-T141 PolarHBondContact O-N 3.45Å; N138-T141 PolarHBondContact O-OG1 3.01Å; T141-I143 PolarHBondContact O-N 3.39Å; T141-R144 PolarHBondContact O-N 3.47Å; T141-I147 HydrophobicContact CG2-CD1 4.02Å; T141-I147 HydrophobicContact CG2-CG1 3.93Å |
| 142 | S | 94.7 | Very high | 95.5 | Very high | 95 Ų | 95 | 52.2 Ų | 52.2 | 66% | 0.664 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.6 | -29.3 | 175.7 | -61.4 | 0 | 0 | 0 | 0 | 112.8 | N138 Y140 | N138-S142 VanDerWaalsContact O-CB 3.24Å; N138-S142 WeakPolarHBondContact O-CB 3.16Å; N138-S142 PolarHBondContact O-N 2.89Å; N138-S142 PolarHBondContact O-OG 3.45Å; Y140-S142 VanDerWaalsContact C-N 3.3Å; Y140-S142 PolarHBondContact O-N 2.79Å |
| 143 | I | 93 | Very high | 95.3 | Very high | 79 Ų | 79 | 54.6 Ų | 54.6 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 18.2 | 175.2 | 61.7 | 177.6 | 0 | 0 | 0 | 112.6 | D139 Y140 T141 Q145 | D139-I143 WeakPolarHBondContact O-CG1 3.33Å; Y140-I143 CarbonylContact O-C 3.07Å; Y140-I143 WeakPolarHBondContact O-CG1 3.42Å; Y140-I143 PolarHBondContact O-N 3.17Å; T141-I143 PolarHBondContact O-N 3.39Å; I143-Q145 VanDerWaalsContact CD1-CD 3.43Å; I143-Q145 HydrophobicContact CD1-CG 4.04Å; I143-Q145 VanDerWaalsContact CD1-OE1 3.3Å; I143-Q145 HydrophobicContact CG1-CB 4.21Å; I143-Q145 HydrophobicContact CG1-CG 3.91Å; I143-Q145 PolarHBondContact O-N 3.3Å |
| 144 | R | 93 | Very high | 94.9 | Very high | 239 Ų | 239 | 59.5 Ų | 59.5 | 90% | 0.902 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 24.8 | 178.9 | -52 | 179.8 | -179.5 | 178.4 | -0.1 | 114.2 | Y140 T141 | Y140-R144 PolarHBondContact O-N 3.09Å; T141-R144 PolarHBondContact O-N 3.47Å |
| 145 | Q | 92.8 | Very high | 94.6 | Very high | 29 Ų | 29 | 65.9 Ų | 65.9 | 14% | 0.136 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 153.2 | 170.3 | -70.5 | 179.3 | -9.8 | 0 | 0 | 110.7 | V109 S110 D113 Y140 I143 | V109-Q145 PolarHBondContact O-OE1 2.83Å; S110-Q145 PolarHBondContact O-NE2 3.46Å; S110-Q145 VanDerWaalsContact O-NE2 3.1Å; D113-Q145 WeakPolarHBondContact OD2-CG 3.42Å; Y140-Q145 CarbonylContact C-O 3.49Å; Y140-Q145 HydrophobicContact CD1-CB 4.21Å; Y140-Q145 WeakPolarHBondContact O-CB 3.18Å; Y140-Q145 PolarHBondContact O-N 2.93Å; I143-Q145 VanDerWaalsContact CD1-CD 3.43Å; I143-Q145 HydrophobicContact CD1-CG 4.04Å; I143-Q145 VanDerWaalsContact CD1-OE1 3.3Å; I143-Q145 HydrophobicContact CG1-CB 4.21Å; I143-Q145 HydrophobicContact CG1-CG 3.91Å; I143-Q145 PolarHBondContact O-N 3.3Å |
| 146 | T | 94.4 | Very high | 94.4 | Very high | 116 Ų | 116 | 64.7 Ų | 64.7 | 71% | 0.712 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -80 | 138.3 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | P148 | T146-P148 VanDerWaalsContact O-CD 3.29Å; T146-P148 WeakPolarHBondContact O-CD 3.19Å |
| 147 | I | 95.3 | Very high | 94.1 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 20% | 0.2 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 122.1 | 175 | -63.1 | 171.3 | 0 | 0 | 0 | 109.4 | T141 C151 T159 | T141-I147 HydrophobicContact CG2-CD1 4.02Å; T141-I147 HydrophobicContact CG2-CG1 3.93Å; I147-C151 HydrophobicContact CG2-CB 3.75Å; I147-T159 HydrophobicContact CG2-CG2 3.88Å |
| 148 | P | 96 | Very high | 94.1 | Very high | 8 Ų | 8 | 73.4 Ų | 73.4 | 5% | 0.052 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 150.6 | -179.7 | -29.9 | 38.6 | 0 | 0 | 0 | 114.1 | Y112 Y140 T146 S150 C151 | Y112-P148 HydrophobicContact CD1-CG 4.17Å; Y112-P148 HydrophobicContact CD2-CG 4.48Å; Y112-P148 HydrophobicContact CE1-CB 4.21Å; Y112-P148 HydrophobicContact CE1-CG 3.58Å; Y112-P148 HydrophobicContact CE2-CB 4.36Å; Y112-P148 HydrophobicContact CE2-CG 3.92Å; Y112-P148 VanDerWaalsContact CZ-CG 3.44Å; Y112-P148 WeakPolarHBondContact OH-CB 3.31Å; Y140-P148 HydrophobicContact CD1-CG 4.24Å; Y140-P148 HydrophobicContact CD2-CG 4.44Å; Y140-P148 HydrophobicContact CE1-CG 3.72Å; Y140-P148 HydrophobicContact CE2-CG 3.94Å; T146-P148 VanDerWaalsContact O-CD 3.29Å; T146-P148 WeakPolarHBondContact O-CD 3.19Å; P148-S150 WeakPolarHBondContact CB-OG 3.2Å; P148-S150 PolarHBondContact O-N 3.48Å; P148-C151 VanDerWaalsContact O-CB 3.29Å; P148-C151 WeakPolarHBondContact O-CB 3.47Å; P148-C151 PolarHBondContact O-N 2.87Å |
| 149 | D | 95.3 | Very high | 94.1 | Very high | 108 Ų | 108 | 71.2 Ų | 71.2 | 58% | 0.578 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -68.8 | -17.8 | 173.1 | -72.7 | -30.2 | 0 | 0 | 0 | 113.3 | C151 K152 | D149-C151 PolarHBondContact O-N 3.4Å; D149-K152 PolarHBondContact O-N 3.37Å; D149-K152 IonicContact OD1-NZ 3.85Å; D149-K152 PolarHBondContact OD1-NZ 3.2Å |
| 150 | S | 96.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.007 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -69.1 | -19.4 | 170.1 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | D123 Q126 P148 K152 | D123-S150 VanDerWaalsContact OD1-CB 3.23Å; D123-S150 WeakPolarHBondContact OD1-CB 3.21Å; D123-S150 PolarHBondContact OD1-OG 3.42Å; Q126-S150 PolarHBondContact NE2-OG 3.16Å; P148-S150 WeakPolarHBondContact CB-OG 3.2Å; P148-S150 PolarHBondContact O-N 3.48Å; S150-K152 VanDerWaalsContact C-N 3.28Å |
| 151 | C | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -80.9 | -2.9 | 172.5 | -73.8 | 0 | 0 | 0 | 0 | 114 | Q126 C132 I147 P148 D149 T159 Y160 | Q126-C151 PolarHBondContact NE2-SG 3.04Å; Q126-C151 VanDerWaalsContact NE2-SG 3.42Å; Q126-C151 PolarHBondContact OE1-SG 3.01Å; Q126-C151 VanDerWaalsContact OE1-SG 3.39Å; C132-C151 WeakPolarHBondContact CA-SG 3.44Å; C132-C151 HydrophobicContact CB-CB 3.56Å; C132-C151 WeakPolarHBondContact CB-SG 3.49Å; C132-C151 WeakPolarHBondContact SG-CB 3.29Å; C132-C151 CovalentContact SG-SG 2.04Å; C132-C151 PolarHBondContact SG-SG 2.98Å; I147-C151 HydrophobicContact CG2-CB 3.75Å; P148-C151 VanDerWaalsContact O-CB 3.29Å; P148-C151 WeakPolarHBondContact O-CB 3.47Å; P148-C151 PolarHBondContact O-N 2.87Å; D149-C151 PolarHBondContact O-N 3.4Å; C151-T159 HydrophobicContact CB-CG2 4.22Å; C151-T159 CarbonylContact O-C 3.58Å; C151-T159 WeakPolarHBondContact O-CA 3.43Å; C151-Y160 VanDerWaalsContact C-CD2 3.41Å; C151-Y160 WeakPolarHBondContact O-CD2 3.36Å; C151-Y160 PolarHBondContact O-N 3.42Å |
| 152 | K | 95.9 | Very high | 93.9 | Very high | 57 Ų | 57 | 76.9 Ų | 76.9 | 25% | 0.248 | 42% | 0.418 | C | S | . | . | B | Isolated β-bridge | trans | -110.3 | 139.1 | -175 | -61.6 | 173.7 | -165.6 | 154 | 0 | 110.4 | D149 S150 T154 V158 | D149-K152 PolarHBondContact O-N 3.37Å; D149-K152 IonicContact OD1-NZ 3.85Å; D149-K152 PolarHBondContact OD1-NZ 3.2Å; S150-K152 VanDerWaalsContact C-N 3.28Å; K152-T154 PolarHBondContact O-N 3.21Å; K152-V158 WeakPolarHBondContact CA-O 3.23Å |
| 153 | N | 94.3 | Very high | 94 | Very high | 49 Ų | 49 | 72.5 Ų | 72.5 | 26% | 0.262 | 39% | 0.388 | S | S | . | . | trans | -60.2 | 130.7 | 170.1 | -176.3 | -63.7 | 0 | 0 | 0 | 110 | T155 S156 K157 V158 Y160 | N153-T155 PolarHBondContact O-N 2.69Å; N153-T155 PolarHBondContact OD1-N 2.99Å; N153-S156 WeakPolarHBondContact CB-OG 3.41Å; N153-S156 PolarHBondContact OD1-N 3.47Å; N153-K157 WeakPolarHBondContact O-CA 3.36Å; N153-K157 PolarHBondContact O-N 3.34Å; N153-V158 PolarHBondContact N-O 3.38Å; N153-Y160 HydrophobicContact CB-CE1 4.24Å | ||
| 154 | T | 88.8 | Confident | 94.2 | Very high | 104 Ų | 104 | 68.9 Ų | 68.9 | 64% | 0.638 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -37.7 | -175.5 | -51.7 | 0 | 0 | 0 | 0 | 112.9 | K152 | K152-T154 PolarHBondContact O-N 3.21Š|
| 155 | T | 89.9 | Confident | 94.4 | Very high | 133 Ų | 133 | 57.5 Ų | 57.5 | 82% | 0.816 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -56.7 | -174.8 | -50.1 | 0 | 0 | 0 | 0 | 111.7 | N153 K157 | N153-T155 PolarHBondContact O-N 2.69Å; N153-T155 PolarHBondContact OD1-N 2.99Å; T155-K157 VanDerWaalsContact C-N 3.34Å |
| 156 | S | 91.6 | Very high | 94.4 | Very high | 71 Ų | 71 | 60.1 Ų | 60.1 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -13.2 | -174.4 | 65.5 | 0 | 0 | 0 | 0 | 113.6 | N153 V158 | N153-S156 WeakPolarHBondContact CB-OG 3.41Å; N153-S156 PolarHBondContact OD1-N 3.47Å; S156-V158 PolarHBondContact O-N 2.98Å; S156-V158 PolarHBondContact OG-N 3.39Å |
| 157 | K | 90.9 | Very high | 94.5 | Very high | 144 Ų | 144 | 58 Ų | 58 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | trans | 57.4 | 11.8 | -172.2 | -58 | -63 | -174.9 | -179 | 0 | 114.5 | N153 T155 | N153-K157 WeakPolarHBondContact O-CA 3.36Å; N153-K157 PolarHBondContact O-N 3.34Å; T155-K157 VanDerWaalsContact C-N 3.34Å | ||
| 158 | V | 94.2 | Very high | 94.5 | Very high | 92 Ų | 92 | 56.9 Ų | 56.9 | 56% | 0.558 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 131.9 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | K152 N153 S156 | K152-V158 WeakPolarHBondContact CA-O 3.23Å; N153-V158 PolarHBondContact N-O 3.38Å; S156-V158 PolarHBondContact O-N 2.98Å; S156-V158 PolarHBondContact OG-N 3.39Å |
| 159 | T | 95.5 | Very high | 94.3 | Very high | 48 Ų | 48 | 59.2 Ų | 59.2 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -70.2 | 135.2 | 174.8 | -55 | 0 | 0 | 0 | 0 | 110.6 | I147 C151 S161 | I147-T159 HydrophobicContact CG2-CG2 3.88Å; C151-T159 HydrophobicContact CB-CG2 4.22Å; C151-T159 CarbonylContact O-C 3.58Å; C151-T159 WeakPolarHBondContact O-CA 3.43Å; T159-S161 PolarHBondContact O-N 2.92Å |
| 160 | Y | 95.6 | Very high | 94.2 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 133.1 | 173.6 | -58.6 | -58.3 | 0 | 0 | 0 | 111.1 | Q130 C151 N153 | Q130-Y160 VanDerWaalsContact C-CD2 3.5Å; Q130-Y160 VanDerWaalsContact C-CG 3.41Å; Q130-Y160 HydrophobicContact CB-CD1 3.95Å; Q130-Y160 HydrophobicContact CB-CE1 3.62Å; Q130-Y160 HydrophobicContact CB-CE2 4.25Å; Q130-Y160 HydrophobicContact CB-CG 4.4Å; Q130-Y160 HydrophobicContact CG-CE1 4.06Å; Q130-Y160 WeakPolarHBondContact O-CB 3.26Å; C151-Y160 VanDerWaalsContact C-CD2 3.41Å; C151-Y160 WeakPolarHBondContact O-CD2 3.36Å; C151-Y160 PolarHBondContact O-N 3.42Å; N153-Y160 HydrophobicContact CB-CE1 4.24Å |
| 161 | S | 91.8 | Very high | 94 | Very high | 93 Ų | 93 | 61.3 Ų | 61.3 | 65% | 0.65 | 34% | 0.342 | S | S | * | . | trans | -80.3 | -29.8 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | T159 | T159-S161 PolarHBondContact O-N 2.92Š| ||
| 162 | D | 95.5 | Very high | 93.7 | Very high | 72 Ų | 72 | 66.9 Ų | 66.9 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -82 | 134.7 | -171.1 | -60.6 | -25.5 | 0 | 0 | 0 | 111.6 | C131 C132 K167 | C131-D162 CarbonylContact C-O 3.42Å; C131-D162 WeakPolarHBondContact CA-O 3.47Å; C131-D162 WeakPolarHBondContact CB-O 3.2Å; C132-D162 PolarHBondContact N-O 3.44Å; D162-K167 HydrophobicContact CB-CD 4.5Å; D162-K167 HydrophobicContact CB-CG 4.22Å; D162-K167 WeakPolarHBondContact OD2-CE 3.38Å; D162-K167 IonicContact OD2-NZ 2.68Å; D162-K167 PolarHBondContact OD2-NZ 3.2Å |
| 163 | G | 96.7 | Very high | 93.5 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | trans | -68.6 | 143.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S134 E135 S165 N166 K167 | S134-G163 CarbonylContact O-C 3.58Å; S134-G163 WeakPolarHBondContact O-CA 3.39Å; E135-G163 WeakPolarHBondContact O-CA 3.3Å; E135-G163 PolarHBondContact O-N 3Å; G163-S165 VanDerWaalsContact C-N 3.31Å; G163-S165 PolarHBondContact O-N 2.94Å; G163-N166 PolarHBondContact O-N 3.31Å; G163-K167 PolarHBondContact O-N 3.13Å | ||
| 164 | C | 97.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.014 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.7 | -31.9 | -179.7 | -65 | 0 | 0 | 0 | 0 | 113.2 | I125 C131 G133 S134 N166 K167 V168 | I125-C164 HydrophobicContact CG2-CB 4.12Å; C131-C164 VanDerWaalsContact C-SG 3.54Å; C131-C164 HydrophobicContact CB-CB 3.91Å; C131-C164 WeakPolarHBondContact CB-SG 3.2Å; C131-C164 WeakPolarHBondContact SG-CA 3.23Å; C131-C164 WeakPolarHBondContact SG-CB 3.44Å; C131-C164 CovalentContact SG-SG 2.04Å; C131-C164 PolarHBondContact SG-SG 3.29Å; G133-C164 WeakPolarHBondContact O-CB 3.32Å; G133-C164 PolarHBondContact O-N 3.22Å; G133-C164 PolarHBondContact O-SG 3.31Å; G133-C164 VanDerWaalsContact O-SG 3.36Å; S134-C164 PolarHBondContact O-N 2.91Å; S134-C164 VanDerWaalsContact O-N 3.13Å; C164-N166 PolarHBondContact O-N 3.33Å; C164-K167 PolarHBondContact O-N 3.03Å; C164-V168 WeakPolarHBondContact O-CB 3.35Å; C164-V168 VanDerWaalsContact O-CG2 3.22Å; C164-V168 WeakPolarHBondContact O-CG2 3.35Å; C164-V168 PolarHBondContact O-N 3.43Å |
| 165 | S | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 179.7 | -64.9 | 0 | 0 | 0 | 0 | 111.5 | V105 S134 G163 V168 I169 | V105-S165 WeakPolarHBondContact CB-OG 3.33Å; S134-S165 VanDerWaalsContact O-CB 3.22Å; S134-S165 WeakPolarHBondContact O-CB 3.44Å; S134-S165 PolarHBondContact O-N 3.05Å; S134-S165 PolarHBondContact O-OG 3.28Å; S134-S165 PolarHBondContact OG-OG 3Å; G163-S165 VanDerWaalsContact C-N 3.31Å; G163-S165 PolarHBondContact O-N 2.94Å; S165-V168 PolarHBondContact O-N 3.23Å; S165-I169 WeakPolarHBondContact O-CB 3.48Å; S165-I169 WeakPolarHBondContact O-CD1 3.35Å; S165-I169 WeakPolarHBondContact O-CG1 3.22Å; S165-I169 PolarHBondContact O-N 3.1Å |
| 166 | N | 94.3 | Very high | 93.7 | Very high | 84 Ų | 84 | 70.7 Ų | 70.7 | 45% | 0.449 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 178.6 | -75.7 | -24.6 | 0 | 0 | 0 | 112.6 | G163 C164 S170 | G163-N166 PolarHBondContact O-N 3.31Å; C164-N166 PolarHBondContact O-N 3.33Å; N166-S170 VanDerWaalsContact O-CB 3.28Å; N166-S170 WeakPolarHBondContact O-CB 3.44Å; N166-S170 PolarHBondContact O-N 3.14Å |
| 167 | K | 95.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 72 Ų | 72 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 175.5 | -73.5 | -80.6 | -172.3 | -177.1 | 0 | 111.8 | F129 C131 D162 G163 C164 S170 F171 | F129-K167 HydrophobicContact CB-CB 4.21Å; C131-K167 HydrophobicContact CB-CB 4.39Å; C131-K167 HydrophobicContact CB-CG 3.99Å; D162-K167 HydrophobicContact CB-CD 4.5Å; D162-K167 HydrophobicContact CB-CG 4.22Å; D162-K167 WeakPolarHBondContact OD2-CE 3.38Å; D162-K167 IonicContact OD2-NZ 2.68Å; D162-K167 PolarHBondContact OD2-NZ 3.2Å; G163-K167 PolarHBondContact O-N 3.13Å; C164-K167 PolarHBondContact O-N 3.03Å; K167-S170 PolarHBondContact O-N 2.98Å; K167-F171 WeakPolarHBondContact O-CB 3.15Å; K167-F171 PolarHBondContact O-N 2.62Å |
| 168 | V | 94.3 | Very high | 94 | Very high | 17 Ų | 17 | 68 Ų | 68 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 178.1 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | F101 I125 F129 C164 S165 S170 F171 F172 | F101-V168 HydrophobicContact CE1-CB 4.26Å; F101-V168 HydrophobicContact CE1-CG1 4.15Å; F101-V168 HydrophobicContact CZ-CB 4.09Å; F101-V168 HydrophobicContact CZ-CG1 3.6Å; I125-V168 HydrophobicContact CG2-CG2 4.37Å; F129-V168 HydrophobicContact CD2-CG2 4.39Å; F129-V168 HydrophobicContact CE2-CG2 4.41Å; C164-V168 WeakPolarHBondContact O-CB 3.35Å; C164-V168 VanDerWaalsContact O-CG2 3.22Å; C164-V168 WeakPolarHBondContact O-CG2 3.35Å; C164-V168 PolarHBondContact O-N 3.43Å; S165-V168 PolarHBondContact O-N 3.23Å; V168-S170 VanDerWaalsContact C-N 3.34Å; V168-S170 PolarHBondContact O-N 3.41Å; V168-F171 WeakPolarHBondContact O-CB 3.4Å; V168-F171 PolarHBondContact O-N 3.23Å; V168-F172 HydrophobicContact CG1-CD2 3.59Å; V168-F172 HydrophobicContact CG1-CE2 3.36Å; V168-F172 WeakPolarHBondContact O-CD2 3.18Å; V168-F172 PolarHBondContact O-N 2.99Å |
| 169 | I | 93.3 | Very high | 93.9 | Very high | 57 Ų | 57 | 67 Ų | 67 | 29% | 0.292 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 174.1 | -69.8 | 161.9 | 0 | 0 | 0 | 111 | K98 F101 L102 S165 F171 F172 G173 | K98-I169 HydrophobicContact CD-CD1 4.31Å; K98-I169 HydrophobicContact CG-CD1 3.82Å; F101-I169 HydrophobicContact CD1-CD1 3.91Å; F101-I169 HydrophobicContact CD1-CG1 3.92Å; F101-I169 HydrophobicContact CE1-CD1 4.33Å; F101-I169 HydrophobicContact CE1-CG1 4.02Å; L102-I169 HydrophobicContact CD1-CD1 3.78Å; S165-I169 WeakPolarHBondContact O-CB 3.48Å; S165-I169 WeakPolarHBondContact O-CD1 3.35Å; S165-I169 WeakPolarHBondContact O-CG1 3.22Å; S165-I169 PolarHBondContact O-N 3.1Å; I169-F171 VanDerWaalsContact C-N 3.31Å; I169-F171 PolarHBondContact O-N 2.82Å; I169-F172 PolarHBondContact O-N 3.19Å; I169-G173 PolarHBondContact O-N 3.49Å |
| 170 | S | 93.1 | Very high | 93.7 | Very high | 72 Ų | 72 | 68.9 Ų | 68.9 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 177.5 | -178.5 | 0 | 0 | 0 | 0 | 112 | N166 K167 V168 G173 K174 | N166-S170 VanDerWaalsContact O-CB 3.28Å; N166-S170 WeakPolarHBondContact O-CB 3.44Å; N166-S170 PolarHBondContact O-N 3.14Å; K167-S170 PolarHBondContact O-N 2.98Å; V168-S170 VanDerWaalsContact C-N 3.34Å; V168-S170 PolarHBondContact O-N 3.41Å; S170-G173 PolarHBondContact O-N 2.8Å; S170-K174 PolarHBondContact O-N 3.29Å |
| 171 | F | 92.1 | Very high | 93.7 | Very high | 81 Ų | 81 | 71.2 Ų | 71.2 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -50.7 | 173.6 | 177.9 | -92.5 | 0 | 0 | 0 | 111.4 | F129 K167 V168 I169 G173 K174 Y175 | F129-F171 HydrophobicContact CE1-CB 3.73Å; F129-F171 HydrophobicContact CE1-CD1 4.27Å; F129-F171 AromaticContact CE1-CD2 3.79Å; F129-F171 HydrophobicContact CE1-CD2 3.79Å; F129-F171 HydrophobicContact CE1-CE2 4.46Å; F129-F171 AromaticContact CE1-CG 3.67Å; F129-F171 HydrophobicContact CE1-CG 3.67Å; F129-F171 HydrophobicContact CZ-CD1 4.38Å; F129-F171 HydrophobicContact CZ-CD2 4.42Å; F129-F171 HydrophobicContact CZ-CG 4.21Å; K167-F171 WeakPolarHBondContact O-CB 3.15Å; K167-F171 PolarHBondContact O-N 2.62Å; V168-F171 WeakPolarHBondContact O-CB 3.4Å; V168-F171 PolarHBondContact O-N 3.23Å; I169-F171 VanDerWaalsContact C-N 3.31Å; I169-F171 PolarHBondContact O-N 2.82Å; F171-G173 VanDerWaalsContact C-N 3.25Å; F171-G173 PolarHBondContact O-N 3.18Å; F171-K174 WeakPolarHBondContact O-CB 3.28Å; F171-K174 PolarHBondContact O-N 3.02Å; F171-Y175 HydrophobicContact CD1-CD2 4.28Å; F171-Y175 HydrophobicContact CD1-CE2 4.46Å; F171-Y175 HydrophobicContact CD2-CE2 4.11Å; F171-Y175 AromaticContact CE1-CD2 3.92Å; F171-Y175 HydrophobicContact CE1-CD2 3.92Å; F171-Y175 AromaticContact CE1-CE2 3.93Å; F171-Y175 HydrophobicContact CE1-CE2 3.93Å; F171-Y175 HydrophobicContact CE2-CD2 4.3Å; F171-Y175 AromaticContact CE2-CE2 3.56Å; F171-Y175 HydrophobicContact CE2-CE2 3.56Å; F171-Y175 AromaticContact CZ-CD2 3.94Å; F171-Y175 HydrophobicContact CZ-CD2 3.94Å; F171-Y175 AromaticContact CZ-CE2 3.45Å; F171-Y175 HydrophobicContact CZ-CE2 3.45Å; F171-Y175 VanDerWaalsContact CZ-CE2 3.45Å; F171-Y175 WeakPolarHBondContact O-CD2 3.4Å |
| 172 | F | 90.2 | Very high | 93.8 | Very high | 116 Ų | 116 | 69.4 Ų | 69.4 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.5 | -35.3 | 175.1 | -76.1 | -64.1 | 0 | 0 | 0 | 112.2 | V168 I169 K174 Y175 I176 | V168-F172 HydrophobicContact CG1-CD2 3.59Å; V168-F172 HydrophobicContact CG1-CE2 3.36Å; V168-F172 WeakPolarHBondContact O-CD2 3.18Å; V168-F172 PolarHBondContact O-N 2.99Å; I169-F172 PolarHBondContact O-N 3.19Å; F172-K174 PolarHBondContact O-N 2.55Å; F172-Y175 CarbonylContact O-C 3.6Å; F172-Y175 PolarHBondContact O-N 3.19Å; F172-I176 PolarHBondContact O-N 2.82Å |
| 173 | G | 91.3 | Very high | 93.6 | Very high | 46 Ų | 46 | 69 Ų | 69 | 47% | 0.474 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.7 | -29 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I169 S170 F171 I176 | I169-G173 PolarHBondContact O-N 3.49Å; S170-G173 PolarHBondContact O-N 2.8Å; F171-G173 VanDerWaalsContact C-N 3.25Å; F171-G173 PolarHBondContact O-N 3.18Å; G173-I176 WeakPolarHBondContact O-CG2 3.22Å |
| 174 | K | 93.7 | Very high | 93.5 | Very high | 163 Ų | 163 | 74.9 Ų | 74.9 | 71% | 0.709 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -72.9 | -32.2 | 173.3 | -66.3 | 176.5 | -179.4 | -179.4 | 0 | 112.7 | S170 F171 F172 | S170-K174 PolarHBondContact O-N 3.29Å; F171-K174 WeakPolarHBondContact O-CB 3.28Å; F171-K174 PolarHBondContact O-N 3.02Å; F172-K174 PolarHBondContact O-N 2.55Å |
| 175 | Y | 93.2 | Very high | 93.3 | Very high | 132 Ų | 132 | 77.4 Ų | 77.4 | 52% | 0.518 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -100.3 | 1.1 | -178.5 | -65.1 | -77.2 | 0 | 0 | 0 | 113.6 | F171 F172 V177 A178 V179 | F171-Y175 HydrophobicContact CD1-CD2 4.28Å; F171-Y175 HydrophobicContact CD1-CE2 4.46Å; F171-Y175 HydrophobicContact CD2-CE2 4.11Å; F171-Y175 AromaticContact CE1-CD2 3.92Å; F171-Y175 HydrophobicContact CE1-CD2 3.92Å; F171-Y175 AromaticContact CE1-CE2 3.93Å; F171-Y175 HydrophobicContact CE1-CE2 3.93Å; F171-Y175 HydrophobicContact CE2-CD2 4.3Å; F171-Y175 AromaticContact CE2-CE2 3.56Å; F171-Y175 HydrophobicContact CE2-CE2 3.56Å; F171-Y175 AromaticContact CZ-CD2 3.94Å; F171-Y175 HydrophobicContact CZ-CD2 3.94Å; F171-Y175 AromaticContact CZ-CE2 3.45Å; F171-Y175 HydrophobicContact CZ-CE2 3.45Å; F171-Y175 VanDerWaalsContact CZ-CE2 3.45Å; F171-Y175 WeakPolarHBondContact O-CD2 3.4Å; F172-Y175 CarbonylContact O-C 3.6Å; F172-Y175 PolarHBondContact O-N 3.19Å; Y175-V177 PolarHBondContact O-N 3.43Å; Y175-A178 WeakPolarHBondContact O-CB 3.36Å; Y175-A178 PolarHBondContact O-N 3.49Å; Y175-V179 PolarHBondContact O-N 3.21Å |
| 176 | I | 92.2 | Very high | 93.2 | Very high | 82 Ų | 82 | 80.1 Ų | 80.1 | 42% | 0.421 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.7 | -37.3 | -173.1 | -167.6 | 60.5 | 0 | 0 | 0 | 112.2 | F172 G173 A178 V179 L180 | F172-I176 PolarHBondContact O-N 2.82Å; G173-I176 WeakPolarHBondContact O-CG2 3.22Å; I176-A178 PolarHBondContact O-N 2.93Å; I176-V179 PolarHBondContact O-N 2.78Å; I176-L180 HydrophobicContact CG1-CD1 4.43Å; I176-L180 VanDerWaalsContact O-CG 3.32Å; I176-L180 WeakPolarHBondContact O-CG 3.29Å; I176-L180 PolarHBondContact O-N 2.84Å |
| 177 | V | 93.4 | Very high | 93.2 | Very high | 99 Ų | 99 | 77 Ų | 77 | 60% | 0.6 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.5 | -42.5 | 176.5 | 178 | 0 | 0 | 0 | 0 | 111.1 | Y175 L180 V181 | Y175-V177 PolarHBondContact O-N 3.43Å; V177-L180 PolarHBondContact O-N 3.24Å; V177-V181 VanDerWaalsContact O-CG2 3.3Å; V177-V181 WeakPolarHBondContact O-CG2 3.02Å; V177-V181 PolarHBondContact O-N 2.89Å |
| 178 | A | 94.6 | Very high | 93.2 | Very high | 61 Ų | 61 | 78.6 Ų | 78.6 | 50% | 0.504 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y175 I176 V181 A182 | Y175-A178 WeakPolarHBondContact O-CB 3.36Å; Y175-A178 PolarHBondContact O-N 3.49Å; I176-A178 PolarHBondContact O-N 2.93Å; A178-V181 PolarHBondContact O-N 3.32Å; A178-A182 WeakPolarHBondContact O-CB 3.45Å; A178-A182 PolarHBondContact O-N 3.01Å |
| 179 | V | 91.9 | Very high | 93.2 | Very high | 71 Ų | 71 | 81.6 Ų | 81.6 | 43% | 0.43 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 174.9 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | Y175 I176 V181 A182 V183 | Y175-V179 PolarHBondContact O-N 3.21Å; I176-V179 PolarHBondContact O-N 2.78Å; V179-V181 PolarHBondContact O-N 3.29Å; V179-A182 WeakPolarHBondContact O-CB 3.43Å; V179-A182 PolarHBondContact O-N 3.21Å; V179-V183 WeakPolarHBondContact O-CG2 3Å; V179-V183 PolarHBondContact O-N 3.39Å |
| 180 | L | 92.4 | Very high | 93.2 | Very high | 86 Ų | 86 | 79.6 Ų | 79.6 | 45% | 0.45 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.5 | -72.1 | 173.5 | 0 | 0 | 0 | 111.7 | I176 V177 A182 V183 F184 | I176-L180 HydrophobicContact CG1-CD1 4.43Å; I176-L180 VanDerWaalsContact O-CG 3.32Å; I176-L180 WeakPolarHBondContact O-CG 3.29Å; I176-L180 PolarHBondContact O-N 2.84Å; V177-L180 PolarHBondContact O-N 3.24Å; L180-A182 VanDerWaalsContact C-N 3.29Å; L180-A182 PolarHBondContact O-N 3.38Å; L180-V183 PolarHBondContact O-N 2.8Å; L180-F184 HydrophobicContact CB-CD2 4.45Å; L180-F184 HydrophobicContact CB-CE2 4.37Å; L180-F184 WeakPolarHBondContact O-CD2 3.45Å; L180-F184 PolarHBondContact O-N 3.21Å |
| 181 | V | 95.4 | Very high | 93.3 | Very high | 87 Ų | 87 | 78.7 Ų | 78.7 | 53% | 0.527 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 175.2 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | V177 A178 V179 S185 | V177-V181 VanDerWaalsContact O-CG2 3.3Å; V177-V181 WeakPolarHBondContact O-CG2 3.02Å; V177-V181 PolarHBondContact O-N 2.89Å; A178-V181 PolarHBondContact O-N 3.32Å; V179-V181 PolarHBondContact O-N 3.29Å; V181-S185 VanDerWaalsContact O-CB 3.31Å; V181-S185 WeakPolarHBondContact O-CB 3.4Å; V181-S185 PolarHBondContact O-N 2.87Å; V181-S185 PolarHBondContact O-OG 3.4Å |
| 182 | A | 93 | Very high | 93.4 | Very high | 55 Ų | 55 | 80 Ų | 80 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A178 V179 L180 S185 V186 | A178-A182 WeakPolarHBondContact O-CB 3.45Å; A178-A182 PolarHBondContact O-N 3.01Å; V179-A182 WeakPolarHBondContact O-CB 3.43Å; V179-A182 PolarHBondContact O-N 3.21Å; L180-A182 VanDerWaalsContact C-N 3.29Å; L180-A182 PolarHBondContact O-N 3.38Å; A182-S185 WeakPolarHBondContact O-CB 3.21Å; A182-S185 PolarHBondContact O-N 3.34Å; A182-V186 WeakPolarHBondContact O-CG2 3.35Å; A182-V186 PolarHBondContact O-N 3.13Å |
| 183 | V | 92.8 | Very high | 93.6 | Very high | 63 Ų | 63 | 75.6 Ų | 75.6 | 38% | 0.382 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62 | -51.3 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 111 | V179 L180 S185 V186 D187 | V179-V183 WeakPolarHBondContact O-CG2 3Å; V179-V183 PolarHBondContact O-N 3.39Å; L180-V183 PolarHBondContact O-N 2.8Å; V183-S185 PolarHBondContact O-N 3.27Å; V183-V186 WeakPolarHBondContact O-CA 3.46Å; V183-V186 WeakPolarHBondContact O-CB 3.08Å; V183-V186 PolarHBondContact O-N 2.76Å; V183-D187 PolarHBondContact O-N 3.05Å |
| 184 | F | 93.7 | Very high | 93.8 | Very high | 128 Ų | 128 | 74.5 Ų | 74.5 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.7 | -32.9 | 177 | -74 | -56.6 | 0 | 0 | 0 | 112.8 | L180 D187 I188 | L180-F184 HydrophobicContact CB-CD2 4.45Å; L180-F184 HydrophobicContact CB-CE2 4.37Å; L180-F184 WeakPolarHBondContact O-CD2 3.45Å; L180-F184 PolarHBondContact O-N 3.21Å; F184-D187 PolarHBondContact O-N 3.36Å; F184-I188 VanDerWaalsContact O-CG1 3.28Å; F184-I188 WeakPolarHBondContact O-CG1 3.3Å; F184-I188 PolarHBondContact O-N 3.32Å |
| 185 | S | 93.9 | Very high | 94 | Very high | 55 Ų | 55 | 70.9 Ų | 70.9 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 174.6 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | V181 A182 V183 I188 L189 | V181-S185 VanDerWaalsContact O-CB 3.31Å; V181-S185 WeakPolarHBondContact O-CB 3.4Å; V181-S185 PolarHBondContact O-N 2.87Å; V181-S185 PolarHBondContact O-OG 3.4Å; A182-S185 WeakPolarHBondContact O-CB 3.21Å; A182-S185 PolarHBondContact O-N 3.34Å; V183-S185 PolarHBondContact O-N 3.27Å; S185-I188 PolarHBondContact O-N 2.88Å; S185-L189 VanDerWaalsContact O-CG 3.28Å; S185-L189 WeakPolarHBondContact O-CG 3.44Å; S185-L189 PolarHBondContact O-N 3.49Å |
| 186 | V | 92.9 | Very high | 94 | Very high | 57 Ų | 57 | 70 Ų | 70 | 35% | 0.345 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 174.3 | 172 | 0 | 0 | 0 | 0 | 110.6 | A182 V183 I188 L189 Q190 | A182-V186 WeakPolarHBondContact O-CG2 3.35Å; A182-V186 PolarHBondContact O-N 3.13Å; V183-V186 WeakPolarHBondContact O-CA 3.46Å; V183-V186 WeakPolarHBondContact O-CB 3.08Å; V183-V186 PolarHBondContact O-N 2.76Å; V186-I188 VanDerWaalsContact C-N 3.31Å; V186-I188 PolarHBondContact O-N 3.43Å; V186-L189 PolarHBondContact O-N 3.44Å; V186-L189 VanDerWaalsContact O-N 3.14Å; V186-Q190 HydrophobicContact CG1-CG 4.19Å; V186-Q190 WeakPolarHBondContact O-CB 3.5Å; V186-Q190 VanDerWaalsContact O-CG 3.32Å; V186-Q190 WeakPolarHBondContact O-CG 3.24Å; V186-Q190 PolarHBondContact O-N 2.91Å |
| 187 | D | 94.5 | Very high | 94.2 | Very high | 17 Ų | 17 | 66.1 Ų | 66.1 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.9 | -43.3 | 176.3 | -73.1 | -37.6 | 0 | 0 | 0 | 112.2 | V183 F184 Q190 S191 | V183-D187 PolarHBondContact O-N 3.05Å; F184-D187 PolarHBondContact O-N 3.36Å; D187-Q190 PolarHBondContact O-N 2.87Å; D187-S191 WeakPolarHBondContact O-CB 3.31Å; D187-S191 PolarHBondContact O-N 3.21Å; D187-S191 PolarHBondContact O-OG 3.3Å |
| 188 | I | 95.2 | Very high | 94.3 | Very high | 106 Ų | 106 | 64.1 Ų | 64.1 | 54% | 0.544 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 176.6 | -69.3 | 167.2 | 0 | 0 | 0 | 110.5 | F184 S185 V186 Q190 S191 L192 | F184-I188 VanDerWaalsContact O-CG1 3.28Å; F184-I188 WeakPolarHBondContact O-CG1 3.3Å; F184-I188 PolarHBondContact O-N 3.32Å; S185-I188 PolarHBondContact O-N 2.88Å; V186-I188 VanDerWaalsContact C-N 3.31Å; V186-I188 PolarHBondContact O-N 3.43Å; I188-Q190 PolarHBondContact O-N 3.44Å; I188-S191 WeakPolarHBondContact O-CB 3.36Å; I188-S191 PolarHBondContact O-N 2.92Å; I188-L192 HydrophobicContact CG2-CD1 4.15Å; I188-L192 HydrophobicContact CG2-CG 4.5Å; I188-L192 WeakPolarHBondContact O-CG 3.25Å; I188-L192 PolarHBondContact O-N 3.34Å |
| 189 | L | 94 | Very high | 94.4 | Very high | 80 Ų | 80 | 64.5 Ų | 64.5 | 42% | 0.419 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 178.3 | -72.8 | 171.9 | 0 | 0 | 0 | 112 | F3 S185 V186 L192 C193 | F3-L189 HydrophobicContact CE2-CB 4.44Å; F3-L189 HydrophobicContact CE2-CD1 4.26Å; F3-L189 HydrophobicContact CZ-CB 4.35Å; S185-L189 VanDerWaalsContact O-CG 3.28Å; S185-L189 WeakPolarHBondContact O-CG 3.44Å; S185-L189 PolarHBondContact O-N 3.49Å; V186-L189 PolarHBondContact O-N 3.44Å; V186-L189 VanDerWaalsContact O-N 3.14Å; L189-L192 PolarHBondContact O-N 3.33Å; L189-C193 PolarHBondContact O-N 3.39Å; L189-C193 PolarHBondContact O-SG 2.04Å |
| 190 | Q | 94.3 | Very high | 94.5 | Very high | 15 Ų | 15 | 62.7 Ų | 62.7 | 7% | 0.07 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 175 | -71.2 | 179.4 | 2.9 | 0 | 0 | 111 | V80 E83 V186 D187 I188 L192 C193 I194 | V80-Q190 HydrophobicContact CG2-CB 3.53Å; V80-Q190 HydrophobicContact CG2-CG 4.4Å; E83-Q190 PolarHBondContact OE1-NE2 3.33Å; E83-Q190 PolarHBondContact OE2-NE2 2.8Å; V186-Q190 HydrophobicContact CG1-CG 4.19Å; V186-Q190 WeakPolarHBondContact O-CB 3.5Å; V186-Q190 VanDerWaalsContact O-CG 3.32Å; V186-Q190 WeakPolarHBondContact O-CG 3.24Å; V186-Q190 PolarHBondContact O-N 2.91Å; D187-Q190 PolarHBondContact O-N 2.87Å; I188-Q190 PolarHBondContact O-N 3.44Å; Q190-L192 PolarHBondContact O-N 3.35Å; Q190-C193 WeakPolarHBondContact O-CB 3.41Å; Q190-C193 PolarHBondContact O-N 3.44Å; Q190-C193 VanDerWaalsContact O-N 3.16Å; Q190-I194 WeakPolarHBondContact O-CG1 2.92Å; Q190-I194 PolarHBondContact O-N 3.42Å |
| 191 | S | 94.8 | Very high | 94.7 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 37% | 0.371 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 176.7 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | D187 I188 I194 V195 | D187-S191 WeakPolarHBondContact O-CB 3.31Å; D187-S191 PolarHBondContact O-N 3.21Å; D187-S191 PolarHBondContact O-OG 3.3Å; I188-S191 WeakPolarHBondContact O-CB 3.36Å; I188-S191 PolarHBondContact O-N 2.92Å; S191-I194 WeakPolarHBondContact O-CB 3.12Å; S191-I194 PolarHBondContact O-N 2.68Å; S191-V195 WeakPolarHBondContact O-CG2 3.46Å; S191-V195 PolarHBondContact O-N 2.89Å |
| 192 | L | 95.1 | Very high | 94.7 | Very high | 108 Ų | 108 | 63.7 Ų | 63.7 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.6 | -39.8 | 174.5 | -69.9 | 173.6 | 0 | 0 | 0 | 112.1 | I188 L189 Q190 I194 V195 F196 | I188-L192 HydrophobicContact CG2-CD1 4.15Å; I188-L192 HydrophobicContact CG2-CG 4.5Å; I188-L192 WeakPolarHBondContact O-CG 3.25Å; I188-L192 PolarHBondContact O-N 3.34Å; L189-L192 PolarHBondContact O-N 3.33Å; Q190-L192 PolarHBondContact O-N 3.35Å; L192-I194 VanDerWaalsContact C-N 3.33Å; L192-I194 PolarHBondContact O-N 2.04Å; L192-V195 PolarHBondContact O-N 3.05Å; L192-F196 VanDerWaalsContact O-CB 3.31Å; L192-F196 WeakPolarHBondContact O-CB 3.39Å; L192-F196 PolarHBondContact O-N 3.22Å |
| 193 | C | 93.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 63.9 Ų | 63.9 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 175.2 | -69 | 0 | 0 | 0 | 0 | 112 | F3 L76 L189 Q190 A197 | F3-C193 VanDerWaalsContact CD1-SG 3.59Å; L76-C193 HydrophobicContact CD1-CB 3.81Å; L189-C193 PolarHBondContact O-N 3.39Å; L189-C193 PolarHBondContact O-SG 2.04Å; Q190-C193 WeakPolarHBondContact O-CB 3.41Å; Q190-C193 PolarHBondContact O-N 3.44Å; Q190-C193 VanDerWaalsContact O-N 3.16Å; C193-A197 WeakPolarHBondContact O-CB 2.89Å; C193-A197 PolarHBondContact O-N 3.27Å |
| 194 | I | 95.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 62.3 Ų | 62.3 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.9 | -51.4 | 174.6 | -72.3 | 163.1 | 0 | 0 | 0 | 110.5 | T73 L76 V80 Q190 S191 L192 F196 A197 I198 | T73-I194 HydrophobicContact CG2-CG2 4.07Å; L76-I194 HydrophobicContact CB-CD1 4Å; L76-I194 HydrophobicContact CB-CG1 3.77Å; L76-I194 HydrophobicContact CD1-CG1 4.21Å; V80-I194 HydrophobicContact CG2-CD1 4.09Å; Q190-I194 WeakPolarHBondContact O-CG1 2.92Å; Q190-I194 PolarHBondContact O-N 3.42Å; S191-I194 WeakPolarHBondContact O-CB 3.12Å; S191-I194 PolarHBondContact O-N 2.68Å; L192-I194 VanDerWaalsContact C-N 3.33Å; L192-I194 PolarHBondContact O-N 2.04Å; I194-F196 VanDerWaalsContact C-N 3.34Å; I194-F196 PolarHBondContact O-N 3.46Å; I194-A197 PolarHBondContact O-N 3.36Å; I194-I198 HydrophobicContact CG2-CD1 3.75Å; I194-I198 VanDerWaalsContact O-CG1 3.28Å; I194-I198 WeakPolarHBondContact O-CG1 3.35Å; I194-I198 PolarHBondContact O-N 3.05Å |
| 195 | V | 96.6 | Very high | 94.8 | Very high | 87 Ų | 87 | 61.4 Ų | 61.4 | 53% | 0.527 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 179.2 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | S191 L192 I198 C199 | S191-V195 WeakPolarHBondContact O-CG2 3.46Å; S191-V195 PolarHBondContact O-N 2.89Å; L192-V195 PolarHBondContact O-N 3.05Å; V195-I198 PolarHBondContact O-N 2.9Å; V195-C199 PolarHBondContact O-N 3.18Å; V195-C199 PolarHBondContact O-SG 3.3Å |
| 196 | F | 94.4 | Very high | 94.8 | Very high | 114 Ų | 114 | 62 Ų | 62 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 177.5 | 178.8 | -102.3 | 0 | 0 | 0 | 112.2 | L61 L192 I194 I198 C199 V200 | L61-F196 HydrophobicContact CD1-CE1 4.27Å; L61-F196 HydrophobicContact CD2-CD1 4.4Å; L61-F196 HydrophobicContact CD2-CE1 3.65Å; L192-F196 VanDerWaalsContact O-CB 3.31Å; L192-F196 WeakPolarHBondContact O-CB 3.39Å; L192-F196 PolarHBondContact O-N 3.22Å; I194-F196 VanDerWaalsContact C-N 3.34Å; I194-F196 PolarHBondContact O-N 3.46Å; F196-I198 VanDerWaalsContact C-N 3.33Å; F196-I198 PolarHBondContact O-N 2.68Å; F196-C199 WeakPolarHBondContact O-CB 3.33Å; F196-C199 PolarHBondContact O-N 3.04Å; F196-V200 HydrophobicContact CD1-CG2 4.36Å; F196-V200 HydrophobicContact CE1-CG2 3.91Å; F196-V200 HydrophobicContact CE2-CG2 4.08Å; F196-V200 HydrophobicContact CZ-CG2 3.75Å; F196-V200 WeakPolarHBondContact O-CG2 3.19Å; F196-V200 PolarHBondContact O-N 2.8Å |
| 197 | A | 95.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L69 Y72 T73 C193 I194 C199 V200 I201 | L69-A197 HydrophobicContact CD1-CB 3.63Å; L69-A197 WeakPolarHBondContact CD2-O 3.29Å; L69-A197 HydrophobicContact CG-CB 3.98Å; Y72-A197 HydrophobicContact CD1-CB 4.24Å; Y72-A197 HydrophobicContact CE1-CB 4.32Å; T73-A197 VanDerWaalsContact OG1-CB 3.31Å; T73-A197 WeakPolarHBondContact OG1-CB 3.44Å; C193-A197 WeakPolarHBondContact O-CB 2.89Å; C193-A197 PolarHBondContact O-N 3.27Å; I194-A197 PolarHBondContact O-N 3.36Å; A197-C199 PolarHBondContact O-N 3.42Å; A197-V200 PolarHBondContact O-N 3.11Å; A197-I201 VanDerWaalsContact O-CG1 3.23Å; A197-I201 WeakPolarHBondContact O-CG1 3.01Å; A197-I201 PolarHBondContact O-N 3.26Å |
| 198 | I | 96.2 | Very high | 94 | Very high | 57 Ų | 57 | 66.7 Ų | 66.7 | 29% | 0.292 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 176.3 | -68.1 | 166.7 | 0 | 0 | 0 | 111.4 | T73 I194 V195 F196 I201 R202 | T73-I198 HydrophobicContact CG2-CD1 4.28Å; T73-I198 HydrophobicContact CG2-CG1 4.02Å; I194-I198 HydrophobicContact CG2-CD1 3.75Å; I194-I198 VanDerWaalsContact O-CG1 3.28Å; I194-I198 WeakPolarHBondContact O-CG1 3.35Å; I194-I198 PolarHBondContact O-N 3.05Å; V195-I198 PolarHBondContact O-N 2.9Å; F196-I198 VanDerWaalsContact C-N 3.33Å; F196-I198 PolarHBondContact O-N 2.68Å; I198-I201 PolarHBondContact O-N 2.87Å; I198-R202 WeakPolarHBondContact O-CG 3.5Å; I198-R202 PolarHBondContact O-N 3.05Å |
| 199 | C | 95.7 | Very high | 93.1 | Very high | 69 Ų | 69 | 66.4 Ų | 66.4 | 47% | 0.466 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 176.5 | -70.6 | 0 | 0 | 0 | 0 | 111.7 | V195 F196 A197 R202 A203 | V195-C199 PolarHBondContact O-N 3.18Å; V195-C199 PolarHBondContact O-SG 3.3Å; F196-C199 WeakPolarHBondContact O-CB 3.33Å; F196-C199 PolarHBondContact O-N 3.04Å; A197-C199 PolarHBondContact O-N 3.42Å; C199-R202 PolarHBondContact O-N 3.32Å; C199-A203 PolarHBondContact O-N 3.17Å |
| 200 | V | 95 | Very high | 91.8 | Very high | 33 Ų | 33 | 72.4 Ų | 72.4 | 20% | 0.2 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 177.6 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L69 F196 A197 R202 A203 I204 | L69-V200 HydrophobicContact CD2-CB 3.82Å; L69-V200 HydrophobicContact CD2-CG1 3.56Å; F196-V200 HydrophobicContact CD1-CG2 4.36Å; F196-V200 HydrophobicContact CE1-CG2 3.91Å; F196-V200 HydrophobicContact CE2-CG2 4.08Å; F196-V200 HydrophobicContact CZ-CG2 3.75Å; F196-V200 WeakPolarHBondContact O-CG2 3.19Å; F196-V200 PolarHBondContact O-N 2.8Å; A197-V200 PolarHBondContact O-N 3.11Å; V200-R202 VanDerWaalsContact C-N 3.26Å; V200-R202 PolarHBondContact O-N 3.11Å; V200-A203 PolarHBondContact O-N 2.86Å; V200-I204 HydrophobicContact CG1-CD1 3.73Å; V200-I204 HydrophobicContact CG1-CG1 4.44Å; V200-I204 WeakPolarHBondContact O-CG1 3.42Å; V200-I204 PolarHBondContact O-N 2.73Å |
| 201 | I | 95.9 | Very high | 91.7 | Very high | 17 Ų | 17 | 75.3 Ų | 75.3 | 9% | 0.087 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -54.8 | -44.7 | 174.2 | -71 | 165.2 | 0 | 0 | 0 | 110.9 | T66 L69 I70 A197 I198 K205 | T66-I201 HydrophobicContact CG2-CG2 3.93Å; L69-I201 HydrophobicContact CB-CD1 4.13Å; L69-I201 HydrophobicContact CB-CG1 3.88Å; L69-I201 HydrophobicContact CD2-CD1 4.31Å; L69-I201 HydrophobicContact CD2-CG1 3.52Å; L69-I201 HydrophobicContact CG-CD1 3.88Å; L69-I201 HydrophobicContact CG-CG1 3.63Å; I70-I201 HydrophobicContact CG1-CD1 3.79Å; I70-I201 HydrophobicContact CG1-CG1 4.49Å; A197-I201 VanDerWaalsContact O-CG1 3.23Å; A197-I201 WeakPolarHBondContact O-CG1 3.01Å; A197-I201 PolarHBondContact O-N 3.26Å; I198-I201 PolarHBondContact O-N 2.87Å; I201-K205 HydrophobicContact CG2-CD 4.27Å; I201-K205 WeakPolarHBondContact O-CG 3.19Å; I201-K205 PolarHBondContact O-N 2.85Å; I201-K205 VanDerWaalsContact O-N 3.15Å |
| 202 | R | 95.6 | Very high | 91.5 | Very high | 176 Ų | 176 | 76.5 Ų | 76.5 | 66% | 0.664 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.3 | -42.2 | 179.8 | -75.2 | 177.8 | 175.1 | 169 | -0.3 | 111.9 | I198 C199 V200 K205 S206 | I198-R202 WeakPolarHBondContact O-CG 3.5Å; I198-R202 PolarHBondContact O-N 3.05Å; C199-R202 PolarHBondContact O-N 3.32Å; V200-R202 VanDerWaalsContact C-N 3.26Å; V200-R202 PolarHBondContact O-N 3.11Å; R202-K205 PolarHBondContact O-N 3.28Å; R202-S206 PolarHBondContact O-N 2.86Å; R202-S206 PolarHBondContact O-OG 3.42Å |
| 203 | A | 94.7 | Very high | 91.3 | Very high | 60 Ų | 60 | 74.7 Ų | 74.7 | 50% | 0.496 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C199 V200 S206 G207 | C199-A203 PolarHBondContact O-N 3.17Å; V200-A203 PolarHBondContact O-N 2.86Å; A203-S206 WeakPolarHBondContact CA-OG 3.36Å; A203-S206 PolarHBondContact O-N 3.39Å; A203-S206 PolarHBondContact O-OG 3.49Å; A203-G207 PolarHBondContact O-N 2.91Å; A203-G207 VanDerWaalsContact O-N 3.15Å |
| 204 | I | 93.6 | Very high | 91.2 | Very high | 29 Ų | 29 | 77.7 Ų | 77.7 | 15% | 0.149 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.2 | -48.9 | 176.2 | -64.4 | 159.4 | 0 | 0 | 0 | 110 | E64 T66 V200 S206 G207 D208 | E64-I204 HydrophobicContact CB-CD1 4.01Å; E64-I204 HydrophobicContact CB-CG1 4.43Å; E64-I204 WeakPolarHBondContact O-CD1 3.5Å; T66-I204 WeakPolarHBondContact OG1-CG2 3.49Å; V200-I204 HydrophobicContact CG1-CD1 3.73Å; V200-I204 HydrophobicContact CG1-CG1 4.44Å; V200-I204 WeakPolarHBondContact O-CG1 3.42Å; V200-I204 PolarHBondContact O-N 2.73Å; I204-S206 VanDerWaalsContact C-N 3.32Å; I204-S206 PolarHBondContact O-N 3.37Å; I204-G207 PolarHBondContact O-N 3.47Å; I204-G207 VanDerWaalsContact O-N 3.12Å; I204-D208 PolarHBondContact O-N 3.04Å; I204-D208 VanDerWaalsContact O-N 3.11Å |
| 205 | K | 93.5 | Very high | 90.9 | Very high | 109 Ų | 109 | 81.2 Ų | 81.2 | 47% | 0.474 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63 | -33.6 | 179.9 | -73.8 | -175.8 | 177.4 | -170.9 | 0 | 114.2 | I201 R202 S209 | I201-K205 HydrophobicContact CG2-CD 4.27Å; I201-K205 WeakPolarHBondContact O-CG 3.19Å; I201-K205 PolarHBondContact O-N 2.85Å; I201-K205 VanDerWaalsContact O-N 3.15Å; R202-K205 PolarHBondContact O-N 3.28Å; K205-S209 PolarHBondContact O-OG 2.92Å |
| 206 | S | 92.9 | Very high | 90.5 | Very high | 68 Ų | 68 | 80.8 Ų | 80.8 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.6 | -37.9 | 174.5 | 50.7 | 0 | 0 | 0 | 0 | 112 | R202 A203 I204 D208 S209 | R202-S206 PolarHBondContact O-N 2.86Å; R202-S206 PolarHBondContact O-OG 3.42Å; A203-S206 WeakPolarHBondContact CA-OG 3.36Å; A203-S206 PolarHBondContact O-N 3.39Å; A203-S206 PolarHBondContact O-OG 3.49Å; I204-S206 VanDerWaalsContact C-N 3.32Å; I204-S206 PolarHBondContact O-N 3.37Å; S206-D208 VanDerWaalsContact C-N 3.32Å; S206-D208 PolarHBondContact O-N 2.9Å; S206-S209 PolarHBondContact O-N 3.2Å |
| 207 | G | 88.3 | Confident | 90.2 | Very high | 46 Ų | 46 | 78.4 Ų | 78.4 | 47% | 0.474 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.7 | -30.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A203 I204 S209 | A203-G207 PolarHBondContact O-N 2.91Å; A203-G207 VanDerWaalsContact O-N 3.15Å; I204-G207 PolarHBondContact O-N 3.47Å; I204-G207 VanDerWaalsContact O-N 3.12Å; G207-S209 PolarHBondContact O-N 3.19Å |
| 208 | D | 82.3 | Confident | 89.8 | Confident | 127 Ų | 127 | 84.4 Ų | 84.4 | 68% | 0.679 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -12.4 | 174 | -68.4 | -24.6 | 0 | 0 | 0 | 113.6 | I204 S206 | I204-D208 PolarHBondContact O-N 3.04Å; I204-D208 VanDerWaalsContact O-N 3.11Å; S206-D208 VanDerWaalsContact C-N 3.32Å; S206-D208 PolarHBondContact O-N 2.9Å |
| 209 | S | 76.6 | Confident | 89.3 | Confident | 100 Ų | 100 | 86.7 Ų | 86.7 | 70% | 0.699 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -10.5 | -176.7 | -57.9 | 0 | 0 | 0 | 0 | 114 | K205 S206 G207 | K205-S209 PolarHBondContact O-OG 2.92Å; S206-S209 PolarHBondContact O-N 3.2Å; G207-S209 PolarHBondContact O-N 3.19Å |
| 210 | D | 67.1 | Low | 88.7 | Confident | 206 Ų | 206 | 88.3 Ų | 88.3 | 100% | 1.102 | 50% | 0.5 | S | S | * | . | trans | -96.1 | 0 | 176.4 | -68.4 | -32.8 | 0 | 0 | 0 | 111.3 |
Retrieved 210 of 210 residues in 156.1 ms
(Link to these results)