| 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 | 67.9 | Low | 92.9 | Very high | 187 Ų | 187 | 79.7 Ų | 79.7 | 92% | 0.921 | 42% | 0.416 | S | S | * | . | 0 | -45.1 | 0 | -80 | -178.5 | 161.8 | 0 | 0 | 113.6 | M3 L4 A5 | M1-M3 PolarHBondContact O-N 3.1Å; M1-L4 WeakPolarHBondContact O-CB 3.39Å; M1-L4 PolarHBondContact O-N 2.83Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-A5 PolarHBondContact O-N 2.89Å | |||
| 2 | F | 90.2 | Very high | 93.3 | Very high | 147 Ų | 147 | 75.3 Ų | 75.3 | 65% | 0.645 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -56 | -48.2 | 179.3 | -171.3 | -116.2 | 0 | 0 | 0 | 113.9 | L4 A5 W6 | F2-L4 VanDerWaalsContact C-N 3.27Å; F2-L4 PolarHBondContact O-N 3.35Å; F2-A5 WeakPolarHBondContact O-CB 3.4Å; F2-A5 PolarHBondContact O-N 3Å; F2-A5 VanDerWaalsContact O-N 3.1Å; F2-W6 AromaticContact CD1-CD1 3.52Å; F2-W6 AromaticContact CD1-NE1 3.3Å; F2-W6 VanDerWaalsContact CD1-NE1 3.3Å; F2-W6 AromaticContact CD2-NE1 3.67Å; F2-W6 AromaticContact CE1-CD1 3.58Å; F2-W6 AromaticContact CE1-CE2 3.93Å; F2-W6 HydrophobicContact CE1-CZ2 4.45Å; F2-W6 AromaticContact CE1-NE1 2.88Å; F2-W6 HydrophobicContact CE2-CZ2 4.34Å; F2-W6 AromaticContact CE2-NE1 3.26Å; F2-W6 VanDerWaalsContact CE2-NE1 3.26Å; F2-W6 AromaticContact CG-CD1 3.87Å; F2-W6 AromaticContact CG-NE1 3.71Å; F2-W6 AromaticContact CZ-CD1 3.95Å; F2-W6 AromaticContact CZ-CE2 3.66Å; F2-W6 AromaticContact CZ-CZ2 3.85Å; F2-W6 HydrophobicContact CZ-CZ2 3.85Å; F2-W6 AromaticContact CZ-NE1 2.88Å; F2-W6 PolarHBondContact O-N 2.73Å |
| 3 | M | 94.4 | Very high | 93.5 | Very high | 66 Ų | 66 | 71.5 Ų | 71.5 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -33.9 | 177.5 | -68.3 | -56.2 | -177.2 | 0 | 0 | 113.6 | M1 W6 G7 E74 W77 F78 | M1-M3 PolarHBondContact O-N 3.1Å; M3-W6 PolarHBondContact O-N 2.85Å; M3-G7 PolarHBondContact O-N 2.89Å; M3-E74 HydrophobicContact CE-CB 4.31Å; M3-E74 HydrophobicContact CE-CG 4.3Å; M3-E74 HydrophobicContact CG-CB 4.08Å; M3-E74 HydrophobicContact CG-CG 4.31Å; M3-W77 HydrophobicContact CB-CB 3.95Å; M3-F78 HydrophobicContact CB-CB 4.22Å; M3-F78 WeakPolarHBondContact O-CA 3.19Å |
| 4 | L | 94 | Very high | 93.8 | Very high | 55 Ų | 55 | 68.8 Ų | 68.8 | 29% | 0.288 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 175.4 | -179.4 | 70.8 | 0 | 0 | 0 | 111.4 | M1 F2 G7 T8 W77 A80 P81 | M1-L4 WeakPolarHBondContact O-CB 3.39Å; M1-L4 PolarHBondContact O-N 2.83Å; M1-L4 VanDerWaalsContact O-N 3.16Å; F2-L4 VanDerWaalsContact C-N 3.27Å; F2-L4 PolarHBondContact O-N 3.35Å; L4-G7 PolarHBondContact O-N 3.14Å; L4-T8 WeakPolarHBondContact O-CB 3.49Å; L4-T8 PolarHBondContact O-N 2.98Å; L4-T8 PolarHBondContact O-OG1 3.38Å; L4-W77 WeakPolarHBondContact CA-O 3.34Å; L4-W77 HydrophobicContact CB-CE3 4.11Å; L4-W77 HydrophobicContact CD1-CE3 4.15Å; L4-W77 HydrophobicContact CD2-CE3 4.2Å; L4-W77 HydrophobicContact CD2-CZ3 4.13Å; L4-W77 HydrophobicContact CG-CE3 4.39Å; L4-A80 HydrophobicContact CD1-CB 4.43Å; L4-P81 HydrophobicContact CD1-CG 3.55Å; L4-P81 HydrophobicContact CG-CG 4.45Å |
| 5 | A | 95.4 | Very high | 94 | Very high | 60 Ų | 60 | 64.2 Ų | 64.2 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1 F2 T8 A9 | M1-A5 PolarHBondContact O-N 2.89Å; F2-A5 WeakPolarHBondContact O-CB 3.4Å; F2-A5 PolarHBondContact O-N 3Å; F2-A5 VanDerWaalsContact O-N 3.1Å; A5-T8 PolarHBondContact O-N 3.01Å; A5-A9 PolarHBondContact O-N 3.33Å |
| 6 | W | 96.2 | Very high | 94.1 | Very high | 136 Ų | 136 | 67 Ų | 67 | 52% | 0.515 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60 | -47 | 174.5 | -75.9 | 107.9 | 0 | 0 | 0 | 112.7 | F2 M3 T8 A9 F10 F78 | F2-W6 AromaticContact CD1-CD1 3.52Å; F2-W6 AromaticContact CD1-NE1 3.3Å; F2-W6 VanDerWaalsContact CD1-NE1 3.3Å; F2-W6 AromaticContact CD2-NE1 3.67Å; F2-W6 AromaticContact CE1-CD1 3.58Å; F2-W6 AromaticContact CE1-CE2 3.93Å; F2-W6 HydrophobicContact CE1-CZ2 4.45Å; F2-W6 AromaticContact CE1-NE1 2.88Å; F2-W6 HydrophobicContact CE2-CZ2 4.34Å; F2-W6 AromaticContact CE2-NE1 3.26Å; F2-W6 VanDerWaalsContact CE2-NE1 3.26Å; F2-W6 AromaticContact CG-CD1 3.87Å; F2-W6 AromaticContact CG-NE1 3.71Å; F2-W6 AromaticContact CZ-CD1 3.95Å; F2-W6 AromaticContact CZ-CE2 3.66Å; F2-W6 AromaticContact CZ-CZ2 3.85Å; F2-W6 HydrophobicContact CZ-CZ2 3.85Å; F2-W6 AromaticContact CZ-NE1 2.88Å; F2-W6 PolarHBondContact O-N 2.73Å; M3-W6 PolarHBondContact O-N 2.85Å; W6-T8 VanDerWaalsContact C-N 3.29Å; W6-T8 PolarHBondContact O-N 2.98Å; W6-A9 PolarHBondContact O-N 3.38Å; W6-F10 WeakPolarHBondContact O-CB 3.46Å; W6-F10 PolarHBondContact O-N 3.38Å; W6-F78 HydrophobicContact CB-CD2 4.22Å; W6-F78 HydrophobicContact CB-CE2 4.31Å |
| 7 | G | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | M3 L4 A9 F10 F11 F78 | M3-G7 PolarHBondContact O-N 2.89Å; L4-G7 PolarHBondContact O-N 3.14Å; G7-A9 VanDerWaalsContact C-N 3.3Å; G7-A9 PolarHBondContact O-N 3.45Å; G7-F10 PolarHBondContact O-N 3.33Å; G7-F11 WeakPolarHBondContact O-CD2 3.28Å; G7-F11 PolarHBondContact O-N 3.11Å; G7-F11 VanDerWaalsContact O-N 3.08Å; G7-F78 WeakPolarHBondContact CA-O 3.38Å |
| 8 | T | 96.1 | Very high | 94.3 | Very high | 80 Ų | 80 | 66.6 Ų | 66.6 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65 | -32.4 | -179.2 | -55.2 | 0 | 0 | 0 | 0 | 112.5 | L4 A5 W6 P12 P81 | L4-T8 WeakPolarHBondContact O-CB 3.49Å; L4-T8 PolarHBondContact O-N 2.98Å; L4-T8 PolarHBondContact O-OG1 3.38Å; A5-T8 PolarHBondContact O-N 3.01Å; W6-T8 VanDerWaalsContact C-N 3.29Å; W6-T8 PolarHBondContact O-N 2.98Å; T8-P12 WeakPolarHBondContact O-CD 3.4Å; T8-P12 WeakPolarHBondContact O-CG 3.36Å; T8-P81 WeakPolarHBondContact OG1-CG 3.09Å |
| 9 | A | 96.8 | Very high | 94.3 | Very high | 65 Ų | 65 | 66.1 Ų | 66.1 | 54% | 0.537 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -81.4 | -43.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | A5 W6 G7 G13 | A5-A9 PolarHBondContact O-N 3.33Å; W6-A9 PolarHBondContact O-N 3.38Å; G7-A9 VanDerWaalsContact C-N 3.3Å; G7-A9 PolarHBondContact O-N 3.45Å; A9-G13 WeakPolarHBondContact O-CA 3.49Å; A9-G13 PolarHBondContact O-N 3.07Å |
| 10 | F | 97.5 | Very high | 94.3 | Very high | 81 Ų | 81 | 70.9 Ų | 70.9 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.6 | -52.7 | -170.9 | -179.3 | -97.6 | 0 | 0 | 0 | 112.8 | W6 G7 G13 L14 I45 L49 F78 | W6-F10 WeakPolarHBondContact O-CB 3.46Å; W6-F10 PolarHBondContact O-N 3.38Å; G7-F10 PolarHBondContact O-N 3.33Å; F10-G13 PolarHBondContact O-N 3.19Å; F10-L14 HydrophobicContact CE1-CD2 4.01Å; F10-L14 HydrophobicContact CZ-CD2 4.19Å; F10-L14 WeakPolarHBondContact O-CB 3.24Å; F10-L14 PolarHBondContact O-N 2.64Å; F10-I45 HydrophobicContact CE1-CG2 4.28Å; F10-I45 HydrophobicContact CZ-CG2 4.27Å; F10-L49 HydrophobicContact CE1-CD1 4.46Å; F10-F78 HydrophobicContact CB-CE2 4.17Å; F10-F78 HydrophobicContact CB-CZ 4.34Å; F10-F78 HydrophobicContact CD1-CE2 4.32Å; F10-F78 AromaticContact CD1-CZ 3.64Å; F10-F78 HydrophobicContact CD1-CZ 3.64Å; F10-F78 HydrophobicContact CE1-CZ 4.11Å; F10-F78 HydrophobicContact CG-CE2 4.3Å; F10-F78 HydrophobicContact CG-CZ 4.01Å |
| 11 | F | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.4 | -47.5 | -173.2 | -63.9 | -72 | 0 | 0 | 0 | 113.6 | G7 L14 F15 V42 H46 F78 Y82 | G7-F11 WeakPolarHBondContact O-CD2 3.28Å; G7-F11 PolarHBondContact O-N 3.11Å; G7-F11 VanDerWaalsContact O-N 3.08Å; F11-L14 PolarHBondContact O-N 3.39Å; F11-F15 WeakPolarHBondContact O-CB 3.48Å; F11-F15 PolarHBondContact O-N 3.5Å; F11-V42 HydrophobicContact CB-CG1 4.47Å; F11-V42 HydrophobicContact CD1-CG1 3.95Å; F11-H46 HydrophobicContact CE1-CB 3.89Å; F11-H46 AromaticContact CE1-ND1 3.86Å; F11-H46 AromaticContact CZ-ND1 3.62Å; F11-F78 HydrophobicContact CE2-CD1 4.17Å; F11-F78 AromaticContact CE2-CE1 3.8Å; F11-F78 HydrophobicContact CE2-CE1 3.8Å; F11-F78 HydrophobicContact CE2-CE2 4.32Å; F11-F78 AromaticContact CE2-CZ 3.88Å; F11-F78 HydrophobicContact CE2-CZ 3.88Å; F11-F78 VanDerWaalsContact CE2-O 3.3Å; F11-F78 WeakPolarHBondContact CE2-O 3.5Å; F11-F78 HydrophobicContact CZ-CD1 4.08Å; F11-F78 AromaticContact CZ-CE1 3.45Å; F11-F78 HydrophobicContact CZ-CE1 3.45Å; F11-F78 VanDerWaalsContact CZ-CE1 3.45Å; F11-F78 AromaticContact CZ-CZ 3.79Å; F11-F78 HydrophobicContact CZ-CZ 3.79Å; F11-Y82 AromaticContact CD1-CD2 3.77Å; F11-Y82 HydrophobicContact CD1-CD2 3.77Å; F11-Y82 HydrophobicContact CD1-CG 4.2Å; F11-Y82 AromaticContact CE1-CD2 3.98Å; F11-Y82 HydrophobicContact CE1-CD2 3.98Å; F11-Y82 HydrophobicContact CE1-CG 4.16Å; F11-Y82 HydrophobicContact CG-CD2 4.29Å; F11-Y82 HydrophobicContact CG-CG 4.48Å; F11-Y82 HydrophobicContact CZ-CG 4.42Å |
| 12 | P | 96.7 | Very high | 95.6 | Very high | 26 Ų | 26 | 63.1 Ų | 63.1 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 172.8 | -22.4 | 35.7 | 0 | 0 | 0 | 111.8 | T8 L14 F15 F16 F85 | T8-P12 WeakPolarHBondContact O-CD 3.4Å; T8-P12 WeakPolarHBondContact O-CG 3.36Å; P12-L14 PolarHBondContact O-N 2.88Å; P12-F15 WeakPolarHBondContact O-CB 3.46Å; P12-F15 PolarHBondContact O-N 3.02Å; P12-F16 HydrophobicContact CB-CD2 4.44Å; P12-F16 HydrophobicContact CB-CE2 4.18Å; P12-F16 WeakPolarHBondContact O-CD2 3.49Å; P12-F16 PolarHBondContact O-N 3.41Å; P12-F85 HydrophobicContact CB-CD2 4.06Å; P12-F85 HydrophobicContact CB-CE2 3.71Å; P12-F85 HydrophobicContact CB-CZ 4.04Å; P12-F85 HydrophobicContact CG-CD2 3.67Å; P12-F85 HydrophobicContact CG-CE2 3.88Å; P12-F85 HydrophobicContact CG-CG 4.08Å; P12-F85 HydrophobicContact CG-CZ 4.46Å |
| 13 | G | 96.9 | Very high | 95.8 | Very high | 27 Ų | 27 | 61.5 Ų | 61.5 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.6 | -49.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | A9 F10 F15 F16 I17 | A9-G13 WeakPolarHBondContact O-CA 3.49Å; A9-G13 PolarHBondContact O-N 3.07Å; F10-G13 PolarHBondContact O-N 3.19Å; G13-F15 VanDerWaalsContact C-N 3.31Å; G13-F15 PolarHBondContact O-N 3.31Å; G13-F16 PolarHBondContact O-N 3.41Å; G13-I17 WeakPolarHBondContact O-CB 3.45Å; G13-I17 VanDerWaalsContact O-CG1 3.24Å; G13-I17 WeakPolarHBondContact O-CG1 3.2Å; G13-I17 PolarHBondContact O-N 3.37Å |
| 14 | L | 97 | Very high | 95.7 | Very high | 33 Ų | 33 | 62 Ų | 62 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59 | -41.3 | 176.3 | -178.8 | 64.1 | 0 | 0 | 0 | 111.8 | F10 F11 P12 S18 V42 I45 | F10-L14 HydrophobicContact CE1-CD2 4.01Å; F10-L14 HydrophobicContact CZ-CD2 4.19Å; F10-L14 WeakPolarHBondContact O-CB 3.24Å; F10-L14 PolarHBondContact O-N 2.64Å; F11-L14 PolarHBondContact O-N 3.39Å; P12-L14 PolarHBondContact O-N 2.88Å; L14-S18 WeakPolarHBondContact O-CB 3.28Å; L14-S18 PolarHBondContact O-N 3.25Å; L14-S18 PolarHBondContact O-OG 3.27Å; L14-V42 HydrophobicContact CB-CG2 4.35Å; L14-V42 HydrophobicContact CD2-CB 4.44Å; L14-V42 HydrophobicContact CD2-CG1 4.39Å; L14-V42 HydrophobicContact CD2-CG2 4.04Å; L14-V42 HydrophobicContact CG-CG2 3.92Å; L14-I45 HydrophobicContact CD1-CD1 4.04Å; L14-I45 HydrophobicContact CD2-CB 4.19Å; L14-I45 HydrophobicContact CD2-CD1 3.64Å; L14-I45 HydrophobicContact CD2-CG2 4.03Å; L14-I45 HydrophobicContact CG-CD1 4.31Å |
| 15 | F | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 175.7 | -178.1 | -100.7 | 0 | 0 | 0 | 112.2 | F11 P12 G13 S18 R19 F35 E39 V42 F85 A89 | F11-F15 WeakPolarHBondContact O-CB 3.48Å; F11-F15 PolarHBondContact O-N 3.5Å; P12-F15 WeakPolarHBondContact O-CB 3.46Å; P12-F15 PolarHBondContact O-N 3.02Å; G13-F15 VanDerWaalsContact C-N 3.31Å; G13-F15 PolarHBondContact O-N 3.31Å; F15-S18 PolarHBondContact O-N 2.82Å; F15-R19 HydrophobicContact CD1-CG 4.44Å; F15-R19 HydrophobicContact CE1-CG 4.33Å; F15-R19 VanDerWaalsContact O-CG 3.31Å; F15-R19 WeakPolarHBondContact O-CG 3.42Å; F15-R19 PolarHBondContact O-N 3.25Å; F15-F35 HydrophobicContact CE1-CD1 4.23Å; F15-F35 HydrophobicContact CE1-CE1 4.03Å; F15-F35 AromaticContact CZ-CD1 3.65Å; F15-F35 HydrophobicContact CZ-CD1 3.65Å; F15-F35 AromaticContact CZ-CE1 3.91Å; F15-F35 HydrophobicContact CZ-CE1 3.91Å; F15-E39 HydrophobicContact CE2-CB 4.33Å; F15-V42 HydrophobicContact CB-CG2 3.92Å; F15-V42 HydrophobicContact CD2-CG2 4.27Å; F15-F85 HydrophobicContact CB-CE1 3.56Å; F15-F85 HydrophobicContact CB-CZ 3.86Å; F15-F85 AromaticContact CD1-CE1 4Å; F15-F85 HydrophobicContact CD1-CE1 4Å; F15-F85 AromaticContact CD1-CZ 3.68Å; F15-F85 HydrophobicContact CD1-CZ 3.68Å; F15-F85 HydrophobicContact CD2-CE1 4.06Å; F15-F85 HydrophobicContact CE1-CZ 4.25Å; F15-F85 AromaticContact CG-CE1 3.64Å; F15-F85 HydrophobicContact CG-CE1 3.64Å; F15-F85 AromaticContact CG-CZ 3.82Å; F15-F85 HydrophobicContact CG-CZ 3.82Å; F15-A89 HydrophobicContact CD2-CB 4.35Å; F15-A89 HydrophobicContact CE2-CB 3.81Å; F15-A89 HydrophobicContact CZ-CB 4.15Å |
| 16 | F | 96.2 | Very high | 95.4 | Very high | 109 Ų | 109 | 64.6 Ų | 64.6 | 48% | 0.478 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | -179.9 | -70.5 | -64 | 0 | 0 | 0 | 112.6 | P12 G13 R19 K20 | P12-F16 HydrophobicContact CB-CD2 4.44Å; P12-F16 HydrophobicContact CB-CE2 4.18Å; P12-F16 WeakPolarHBondContact O-CD2 3.49Å; P12-F16 PolarHBondContact O-N 3.41Å; G13-F16 PolarHBondContact O-N 3.41Å; F16-R19 PolarHBondContact O-N 2.69Å; F16-K20 WeakPolarHBondContact O-CB 3.24Å; F16-K20 PolarHBondContact O-N 3.32Å |
| 17 | I | 96.5 | Very high | 95.1 | Very high | 110 Ų | 110 | 67 Ų | 67 | 56% | 0.564 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.6 | -49.3 | 174.6 | -68.3 | 166.4 | 0 | 0 | 0 | 109.8 | G13 R19 K20 V21 | G13-I17 WeakPolarHBondContact O-CB 3.45Å; G13-I17 VanDerWaalsContact O-CG1 3.24Å; G13-I17 WeakPolarHBondContact O-CG1 3.2Å; G13-I17 PolarHBondContact O-N 3.37Å; I17-R19 VanDerWaalsContact C-N 3.3Å; I17-R19 PolarHBondContact O-N 2.87Å; I17-K20 PolarHBondContact O-N 2.94Å; I17-K20 VanDerWaalsContact O-N 3.12Å; I17-V21 HydrophobicContact CG2-CG2 4.24Å; I17-V21 WeakPolarHBondContact O-CG2 3.44Å; I17-V21 PolarHBondContact O-N 3.42Å |
| 18 | S | 94.9 | Very high | 94.7 | Very high | 16 Ų | 16 | 72.3 Ų | 72.3 | 11% | 0.112 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.8 | -45.8 | 177.5 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | L14 F15 K20 V21 L22 | L14-S18 WeakPolarHBondContact O-CB 3.28Å; L14-S18 PolarHBondContact O-N 3.25Å; L14-S18 PolarHBondContact O-OG 3.27Å; F15-S18 PolarHBondContact O-N 2.82Å; S18-K20 PolarHBondContact O-N 3.24Å; S18-V21 PolarHBondContact O-N 3.34Å; S18-L22 VanDerWaalsContact O-CB 3.28Å; S18-L22 WeakPolarHBondContact O-CB 3.45Å; S18-L22 WeakPolarHBondContact O-CG 3.49Å; S18-L22 PolarHBondContact O-N 3.12Å |
| 19 | R | 95 | Very high | 94.5 | Very high | 58 Ų | 58 | 70.3 Ų | 70.3 | 22% | 0.219 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 176.3 | -74 | -175.4 | 64.2 | -143.9 | -4.4 | 112.5 | F15 F16 I17 K23 V34 F35 S38 | F15-R19 HydrophobicContact CD1-CG 4.44Å; F15-R19 HydrophobicContact CE1-CG 4.33Å; F15-R19 VanDerWaalsContact O-CG 3.31Å; F15-R19 WeakPolarHBondContact O-CG 3.42Å; F15-R19 PolarHBondContact O-N 3.25Å; F16-R19 PolarHBondContact O-N 2.69Å; I17-R19 VanDerWaalsContact C-N 3.3Å; I17-R19 PolarHBondContact O-N 2.87Å; R19-K23 VanDerWaalsContact O-CB 3.28Å; R19-K23 WeakPolarHBondContact O-CB 3.33Å; R19-K23 PolarHBondContact O-N 3.48Å; R19-V34 HydrophobicContact CB-CG1 3.93Å; R19-V34 HydrophobicContact CG-CG1 3.98Å; R19-F35 VanDerWaalsContact NE-CE1 3.34Å; R19-S38 WeakPolarHBondContact CA-OG 3.21Å; R19-S38 WeakPolarHBondContact CG-OG 3.45Å; R19-S38 PolarHBondContact N-OG 3.37Å |
| 20 | K | 94.6 | Very high | 94.2 | Very high | 161 Ų | 161 | 70.1 Ų | 70.1 | 70% | 0.7 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.1 | -44.3 | -179.3 | -172.4 | 177.2 | 180 | -179.4 | 0 | 111.1 | F16 I17 S18 S24 | F16-K20 WeakPolarHBondContact O-CB 3.24Å; F16-K20 PolarHBondContact O-N 3.32Å; I17-K20 PolarHBondContact O-N 2.94Å; I17-K20 VanDerWaalsContact O-N 3.12Å; S18-K20 PolarHBondContact O-N 3.24Å; K20-S24 WeakPolarHBondContact O-CB 3.36Å; K20-S24 PolarHBondContact O-N 2.93Å; K20-S24 VanDerWaalsContact O-N 3.14Å; K20-S24 PolarHBondContact O-OG 3.07Å |
| 21 | V | 95.3 | Very high | 93.8 | Very high | 77 Ų | 77 | 69.4 Ų | 69.4 | 47% | 0.467 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.9 | -50.5 | 178.3 | 173 | 0 | 0 | 0 | 0 | 110.3 | I17 S18 K23 S24 V25 | I17-V21 HydrophobicContact CG2-CG2 4.24Å; I17-V21 WeakPolarHBondContact O-CG2 3.44Å; I17-V21 PolarHBondContact O-N 3.42Å; S18-V21 PolarHBondContact O-N 3.34Å; V21-K23 PolarHBondContact O-N 3.45Å; V21-S24 WeakPolarHBondContact O-CA 3.41Å; V21-S24 WeakPolarHBondContact O-CB 3.42Å; V21-S24 PolarHBondContact O-N 3.01Å; V21-V25 HydrophobicContact CG1-CG2 4.15Å; V21-V25 WeakPolarHBondContact O-CG2 3.3Å; V21-V25 PolarHBondContact O-N 3.5Å |
| 22 | L | 93.9 | Very high | 93.5 | Very high | 18 Ų | 18 | 69.6 Ų | 69.6 | 9% | 0.094 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | -179.2 | -72.5 | 170 | 0 | 0 | 0 | 112.5 | S18 S24 V25 F26 W29 V34 V37 S38 L41 | S18-L22 VanDerWaalsContact O-CB 3.28Å; S18-L22 WeakPolarHBondContact O-CB 3.45Å; S18-L22 WeakPolarHBondContact O-CG 3.49Å; S18-L22 PolarHBondContact O-N 3.12Å; L22-S24 PolarHBondContact O-N 2.9Å; L22-V25 PolarHBondContact O-N 2.99Å; L22-F26 HydrophobicContact CD2-CD2 3.96Å; L22-F26 HydrophobicContact CD2-CE2 3.92Å; L22-F26 WeakPolarHBondContact O-CB 3.27Å; L22-F26 PolarHBondContact O-N 3.22Å; L22-W29 HydrophobicContact CB-CZ3 4.44Å; L22-W29 HydrophobicContact CD1-CZ3 4.48Å; L22-W29 HydrophobicContact CD2-CZ3 3.97Å; L22-V34 HydrophobicContact CB-CG1 4.3Å; L22-V37 HydrophobicContact CD1-CB 3.94Å; L22-V37 HydrophobicContact CD1-CG1 3.64Å; L22-V37 HydrophobicContact CD2-CG1 4.2Å; L22-S38 WeakPolarHBondContact CD1-OG 3.45Å; L22-L41 HydrophobicContact CD1-CD1 3.96Å |
| 23 | K | 93.2 | Very high | 93.3 | Very high | 114 Ų | 114 | 70.2 Ų | 70.2 | 50% | 0.496 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -29.5 | 174.3 | -169.1 | 163.9 | -173.1 | 157.1 | 0 | 112.6 | R19 V21 D31 V34 | R19-K23 VanDerWaalsContact O-CB 3.28Å; R19-K23 WeakPolarHBondContact O-CB 3.33Å; R19-K23 PolarHBondContact O-N 3.48Å; V21-K23 PolarHBondContact O-N 3.45Å; K23-D31 IonicContact NZ-OD1 3.43Å; K23-D31 PolarHBondContact NZ-OD1 3.18Å; K23-V34 HydrophobicContact CB-CG2 4.37Å |
| 24 | S | 92.2 | Very high | 93.2 | Very high | 77 Ų | 77 | 69 Ų | 69 | 54% | 0.538 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -79.1 | -38.8 | 178 | -54.2 | 0 | 0 | 0 | 0 | 112.3 | K20 V21 L22 | K20-S24 WeakPolarHBondContact O-CB 3.36Å; K20-S24 PolarHBondContact O-N 2.93Å; K20-S24 VanDerWaalsContact O-N 3.14Å; K20-S24 PolarHBondContact O-OG 3.07Å; V21-S24 WeakPolarHBondContact O-CA 3.41Å; V21-S24 WeakPolarHBondContact O-CB 3.42Å; V21-S24 PolarHBondContact O-N 3.01Å; L22-S24 PolarHBondContact O-N 2.9Å |
| 25 | V | 93 | Very high | 93.1 | Very high | 98 Ų | 98 | 67.8 Ų | 67.8 | 59% | 0.594 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -77.7 | -46.7 | -178.9 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | V21 L22 | V21-V25 HydrophobicContact CG1-CG2 4.15Å; V21-V25 WeakPolarHBondContact O-CG2 3.3Å; V21-V25 PolarHBondContact O-N 3.5Å; L22-V25 PolarHBondContact O-N 2.99Å |
| 26 | F | 91.6 | Very high | 92.9 | Very high | 70 Ų | 70 | 68.7 Ų | 68.7 | 31% | 0.307 | 35% | 0.351 | S | S | . | . | trans | -105.8 | 74.5 | -177 | -61.2 | -79.9 | 0 | 0 | 0 | 110.7 | L22 S28 W29 L174 | L22-F26 HydrophobicContact CD2-CD2 3.96Å; L22-F26 HydrophobicContact CD2-CE2 3.92Å; L22-F26 WeakPolarHBondContact O-CB 3.27Å; L22-F26 PolarHBondContact O-N 3.22Å; F26-S28 PolarHBondContact O-N 3.39Å; F26-S28 VanDerWaalsContact O-N 3.1Å; F26-W29 HydrophobicContact CB-CB 4.13Å; F26-W29 HydrophobicContact CB-CD2 3.47Å; F26-W29 VanDerWaalsContact CB-CD2 3.47Å; F26-W29 HydrophobicContact CB-CE3 3.9Å; F26-W29 HydrophobicContact CB-CG 3.56Å; F26-W29 AromaticContact CD1-CE2 3.98Å; F26-W29 HydrophobicContact CD1-CZ2 4.11Å; F26-W29 HydrophobicContact CD2-CD2 4.29Å; F26-W29 HydrophobicContact CD2-CE3 4.1Å; F26-W29 AromaticContact CD2-CH2 3.93Å; F26-W29 HydrophobicContact CD2-CH2 3.93Å; F26-W29 HydrophobicContact CD2-CZ2 4.16Å; F26-W29 AromaticContact CD2-CZ3 3.91Å; F26-W29 HydrophobicContact CD2-CZ3 3.91Å; F26-W29 HydrophobicContact CE1-CZ2 4.37Å; F26-W29 HydrophobicContact CE2-CH2 4.1Å; F26-W29 HydrophobicContact CE2-CZ2 4.42Å; F26-W29 HydrophobicContact CE2-CZ3 4.42Å; F26-W29 AromaticContact CG-CD2 3.86Å; F26-W29 HydrophobicContact CG-CD2 3.86Å; F26-W29 AromaticContact CG-CE2 3.78Å; F26-W29 HydrophobicContact CG-CE3 4.14Å; F26-W29 HydrophobicContact CG-CG 4.39Å; F26-W29 HydrophobicContact CG-CH2 4.23Å; F26-W29 HydrophobicContact CG-CZ2 4.01Å; F26-W29 HydrophobicContact CG-CZ3 4.31Å; F26-W29 WeakPolarHBondContact O-CB 3.5Å; F26-W29 PolarHBondContact O-N 3.1Å; F26-L174 HydrophobicContact CE1-CD2 4.12Å; F26-L174 HydrophobicContact CZ-CD2 4.36Å | ||
| 27 | K | 88.9 | Confident | 92.9 | Very high | 188 Ų | 188 | 63.7 Ų | 63.7 | 82% | 0.817 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.7 | -177.6 | -66.8 | -175.1 | 179.4 | 178.4 | 0 | 114.4 | ||
| 28 | S | 88.6 | Confident | 92.9 | Very high | 111 Ų | 111 | 58.4 Ų | 58.4 | 78% | 0.776 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -12.9 | 177.4 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | F26 | F26-S28 PolarHBondContact O-N 3.39Å; F26-S28 VanDerWaalsContact O-N 3.1Å |
| 29 | W | 91 | Very high | 92.9 | Very high | 37 Ų | 37 | 58 Ų | 58 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | trans | -75 | 136.2 | -178.7 | -76.5 | 7.2 | 0 | 0 | 0 | 111.8 | L22 F26 D33 V34 V37 L174 | L22-W29 HydrophobicContact CB-CZ3 4.44Å; L22-W29 HydrophobicContact CD1-CZ3 4.48Å; L22-W29 HydrophobicContact CD2-CZ3 3.97Å; F26-W29 HydrophobicContact CB-CB 4.13Å; F26-W29 HydrophobicContact CB-CD2 3.47Å; F26-W29 VanDerWaalsContact CB-CD2 3.47Å; F26-W29 HydrophobicContact CB-CE3 3.9Å; F26-W29 HydrophobicContact CB-CG 3.56Å; F26-W29 AromaticContact CD1-CE2 3.98Å; F26-W29 HydrophobicContact CD1-CZ2 4.11Å; F26-W29 HydrophobicContact CD2-CD2 4.29Å; F26-W29 HydrophobicContact CD2-CE3 4.1Å; F26-W29 AromaticContact CD2-CH2 3.93Å; F26-W29 HydrophobicContact CD2-CH2 3.93Å; F26-W29 HydrophobicContact CD2-CZ2 4.16Å; F26-W29 AromaticContact CD2-CZ3 3.91Å; F26-W29 HydrophobicContact CD2-CZ3 3.91Å; F26-W29 HydrophobicContact CE1-CZ2 4.37Å; F26-W29 HydrophobicContact CE2-CH2 4.1Å; F26-W29 HydrophobicContact CE2-CZ2 4.42Å; F26-W29 HydrophobicContact CE2-CZ3 4.42Å; F26-W29 AromaticContact CG-CD2 3.86Å; F26-W29 HydrophobicContact CG-CD2 3.86Å; F26-W29 AromaticContact CG-CE2 3.78Å; F26-W29 HydrophobicContact CG-CE3 4.14Å; F26-W29 HydrophobicContact CG-CG 4.39Å; F26-W29 HydrophobicContact CG-CH2 4.23Å; F26-W29 HydrophobicContact CG-CZ2 4.01Å; F26-W29 HydrophobicContact CG-CZ3 4.31Å; F26-W29 WeakPolarHBondContact O-CB 3.5Å; F26-W29 PolarHBondContact O-N 3.1Å; W29-D33 HydrophobicContact CB-CB 4.01Å; W29-D33 HydrophobicContact CD2-CB 4.03Å; W29-D33 HydrophobicContact CE3-CB 4.2Å; W29-D33 HydrophobicContact CG-CB 3.98Å; W29-V34 HydrophobicContact CB-CG2 4.06Å; W29-V34 HydrophobicContact CE3-CG2 4.17Å; W29-V37 HydrophobicContact CH2-CB 4.26Å; W29-V37 HydrophobicContact CH2-CG1 4.21Å; W29-V37 HydrophobicContact CH2-CG2 3.65Å; W29-V37 HydrophobicContact CZ3-CB 3.9Å; W29-V37 HydrophobicContact CZ3-CG1 4.09Å; W29-V37 HydrophobicContact CZ3-CG2 3.62Å; W29-L174 HydrophobicContact CH2-CD2 4.23Å; W29-L174 HydrophobicContact CZ2-CD2 3.5Å; W29-L174 VanDerWaalsContact CZ2-CD2 3.5Å; W29-L174 HydrophobicContact CZ2-CG 4.08Å | ||
| 30 | N | 90.7 | Very high | 93 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | trans | -78 | 170.9 | 169.7 | 65 | 57.3 | 0 | 0 | 0 | 110.2 | A32 D33 V34 | N30-A32 PolarHBondContact O-N 3.01Å; N30-A32 WeakPolarHBondContact OD1-CA 3.46Å; N30-A32 WeakPolarHBondContact OD1-CB 3.44Å; N30-A32 PolarHBondContact OD1-N 3.07Å; N30-D33 PolarHBondContact ND2-OD2 3.34Å; N30-D33 PolarHBondContact O-N 3.11Å; N30-D33 PolarHBondContact OD1-N 3.44Å; N30-D33 PolarHBondContact OD1-OD2 3.4Å; N30-V34 PolarHBondContact O-N 3.35Å | ||
| 31 | D | 89.2 | Confident | 93 | Very high | 66 Ų | 66 | 53 Ų | 53 | 35% | 0.353 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.9 | -35 | -178.8 | -73 | -33.2 | 0 | 0 | 0 | 112 | K23 D33 V34 F35 | K23-D31 IonicContact NZ-OD1 3.43Å; K23-D31 PolarHBondContact NZ-OD1 3.18Å; D31-D33 PolarHBondContact O-N 3.11Å; D31-V34 PolarHBondContact O-N 3.2Å; D31-F35 HydrophobicContact CB-CD2 4.24Å; D31-F35 HydrophobicContact CB-CE2 4.32Å; D31-F35 WeakPolarHBondContact O-CB 3.36Å; D31-F35 WeakPolarHBondContact O-CD2 3.19Å; D31-F35 PolarHBondContact O-N 2.9Å |
| 32 | A | 91.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N30 F35 V36 H96 V100 | N30-A32 PolarHBondContact O-N 3.01Å; N30-A32 WeakPolarHBondContact OD1-CA 3.46Å; N30-A32 WeakPolarHBondContact OD1-CB 3.44Å; N30-A32 PolarHBondContact OD1-N 3.07Å; A32-F35 PolarHBondContact O-N 2.96Å; A32-V36 VanDerWaalsContact O-CG2 3.29Å; A32-V36 WeakPolarHBondContact O-CG2 3.29Å; A32-V36 PolarHBondContact O-N 3.24Å; A32-H96 HydrophobicContact CB-CB 3.87Å; A32-V100 HydrophobicContact CB-CG2 3.86Å |
| 33 | D | 92.8 | Very high | 93.3 | Very high | 39 Ų | 39 | 48.9 Ų | 48.9 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 177.4 | -61.9 | -42.1 | 0 | 0 | 0 | 110.7 | W29 N30 D31 F35 V36 V37 | W29-D33 HydrophobicContact CB-CB 4.01Å; W29-D33 HydrophobicContact CD2-CB 4.03Å; W29-D33 HydrophobicContact CE3-CB 4.2Å; W29-D33 HydrophobicContact CG-CB 3.98Å; N30-D33 PolarHBondContact ND2-OD2 3.34Å; N30-D33 PolarHBondContact O-N 3.11Å; N30-D33 PolarHBondContact OD1-N 3.44Å; N30-D33 PolarHBondContact OD1-OD2 3.4Å; D31-D33 PolarHBondContact O-N 3.11Å; D33-F35 VanDerWaalsContact C-N 3.35Å; D33-F35 PolarHBondContact O-N 3.44Å; D33-V36 PolarHBondContact O-N 3.14Å; D33-V37 WeakPolarHBondContact O-CG2 3.08Å; D33-V37 PolarHBondContact O-N 3.45Å |
| 34 | V | 94.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 177.5 | 176 | 0 | 0 | 0 | 0 | 111.7 | R19 L22 K23 W29 N30 D31 S38 | R19-V34 HydrophobicContact CB-CG1 3.93Å; R19-V34 HydrophobicContact CG-CG1 3.98Å; L22-V34 HydrophobicContact CB-CG1 4.3Å; K23-V34 HydrophobicContact CB-CG2 4.37Å; W29-V34 HydrophobicContact CB-CG2 4.06Å; W29-V34 HydrophobicContact CE3-CG2 4.17Å; N30-V34 PolarHBondContact O-N 3.35Å; D31-V34 PolarHBondContact O-N 3.2Å; V34-S38 VanDerWaalsContact O-CB 3.25Å; V34-S38 WeakPolarHBondContact O-CB 3.25Å; V34-S38 PolarHBondContact O-N 3.46Å; V34-S38 PolarHBondContact O-OG 3.03Å |
| 35 | F | 94.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.8 | -50.5 | 179.2 | -89.2 | -71.1 | 0 | 0 | 0 | 112.3 | F15 R19 D31 A32 D33 V37 S38 E39 L92 S93 H96 | F15-F35 HydrophobicContact CE1-CD1 4.23Å; F15-F35 HydrophobicContact CE1-CE1 4.03Å; F15-F35 AromaticContact CZ-CD1 3.65Å; F15-F35 HydrophobicContact CZ-CD1 3.65Å; F15-F35 AromaticContact CZ-CE1 3.91Å; F15-F35 HydrophobicContact CZ-CE1 3.91Å; R19-F35 VanDerWaalsContact NE-CE1 3.34Å; D31-F35 HydrophobicContact CB-CD2 4.24Å; D31-F35 HydrophobicContact CB-CE2 4.32Å; D31-F35 WeakPolarHBondContact O-CB 3.36Å; D31-F35 WeakPolarHBondContact O-CD2 3.19Å; D31-F35 PolarHBondContact O-N 2.9Å; A32-F35 PolarHBondContact O-N 2.96Å; D33-F35 VanDerWaalsContact C-N 3.35Å; D33-F35 PolarHBondContact O-N 3.44Å; F35-V37 PolarHBondContact O-N 3.38Å; F35-S38 PolarHBondContact O-N 3.12Å; F35-E39 WeakPolarHBondContact O-CB 3.29Å; F35-E39 PolarHBondContact O-N 3.11Å; F35-L92 HydrophobicContact CD1-CB 3.96Å; F35-L92 HydrophobicContact CD1-CD1 4.31Å; F35-L92 HydrophobicContact CE1-CB 3.95Å; F35-L92 HydrophobicContact CE1-CD1 3.6Å; F35-L92 HydrophobicContact CE1-CG 4.38Å; F35-L92 HydrophobicContact CZ-CD1 4.3Å; F35-S93 PolarHBondContact O-OG 3.41Å; F35-H96 HydrophobicContact CD2-CB 4.12Å; F35-H96 AromaticContact CD2-CD2 3.36Å; F35-H96 WeakPolarHBondContact CD2-CD2 3.35Å; F35-H96 AromaticContact CD2-CG 3.6Å; F35-H96 AromaticContact CD2-NE2 3.78Å; F35-H96 AromaticContact CE2-CD2 3.27Å; F35-H96 WeakPolarHBondContact CE2-CD2 3.45Å; F35-H96 AromaticContact CE2-CE1 3.6Å; F35-H96 AromaticContact CE2-CG 3.8Å; F35-H96 AromaticContact CE2-ND1 3.97Å; F35-H96 AromaticContact CE2-NE2 3.17Å; F35-H96 WeakPolarHBondContact CE2-NE2 3.4Å; F35-H96 AromaticContact CZ-CD2 3.86Å; F35-H96 AromaticContact CZ-NE2 3.63Å |
| 36 | V | 94.3 | Very high | 94 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 12% | 0.115 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | -178.9 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | A32 D33 S38 E39 R40 C97 Q173 | A32-V36 VanDerWaalsContact O-CG2 3.29Å; A32-V36 WeakPolarHBondContact O-CG2 3.29Å; A32-V36 PolarHBondContact O-N 3.24Å; D33-V36 PolarHBondContact O-N 3.14Å; V36-S38 VanDerWaalsContact C-N 3.34Å; V36-S38 PolarHBondContact O-N 3.09Å; V36-E39 PolarHBondContact O-N 2.87Å; V36-R40 HydrophobicContact CG1-CG 4.4Å; V36-R40 WeakPolarHBondContact O-CB 3.06Å; V36-R40 WeakPolarHBondContact O-CG 3.36Å; V36-R40 PolarHBondContact O-N 3.45Å; V36-R40 VanDerWaalsContact O-N 3.07Å; V36-C97 WeakPolarHBondContact CG2-SG 3.32Å; V36-Q173 VanDerWaalsContact CB-NE2 3.26Å; V36-Q173 VanDerWaalsContact CG1-CD 3.48Å |
| 37 | V | 95.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.1 | -39.6 | 179.7 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | L22 W29 D33 F35 R40 L41 V170 | L22-V37 HydrophobicContact CD1-CB 3.94Å; L22-V37 HydrophobicContact CD1-CG1 3.64Å; L22-V37 HydrophobicContact CD2-CG1 4.2Å; W29-V37 HydrophobicContact CH2-CB 4.26Å; W29-V37 HydrophobicContact CH2-CG1 4.21Å; W29-V37 HydrophobicContact CH2-CG2 3.65Å; W29-V37 HydrophobicContact CZ3-CB 3.9Å; W29-V37 HydrophobicContact CZ3-CG1 4.09Å; W29-V37 HydrophobicContact CZ3-CG2 3.62Å; D33-V37 WeakPolarHBondContact O-CG2 3.08Å; D33-V37 PolarHBondContact O-N 3.45Å; F35-V37 PolarHBondContact O-N 3.38Å; V37-R40 PolarHBondContact O-N 3.2Å; V37-L41 HydrophobicContact CG1-CD1 4.08Å; V37-L41 HydrophobicContact CG1-CG 4.27Å; V37-L41 VanDerWaalsContact O-CG 3.29Å; V37-L41 WeakPolarHBondContact O-CG 3.47Å; V37-L41 PolarHBondContact O-N 3.38Å; V37-V170 HydrophobicContact CG1-CG1 4.24Å; V37-V170 HydrophobicContact CG1-CG2 4.19Å; V37-V170 HydrophobicContact CG2-CG1 4.4Å; V37-V170 HydrophobicContact CG2-CG2 4.35Å |
| 38 | S | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.1 | -44.4 | 178.3 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | R19 L22 V34 F35 V36 R40 L41 V42 | R19-S38 WeakPolarHBondContact CA-OG 3.21Å; R19-S38 WeakPolarHBondContact CG-OG 3.45Å; R19-S38 PolarHBondContact N-OG 3.37Å; L22-S38 WeakPolarHBondContact CD1-OG 3.45Å; V34-S38 VanDerWaalsContact O-CB 3.25Å; V34-S38 WeakPolarHBondContact O-CB 3.25Å; V34-S38 PolarHBondContact O-N 3.46Å; V34-S38 PolarHBondContact O-OG 3.03Å; F35-S38 PolarHBondContact O-N 3.12Å; V36-S38 VanDerWaalsContact C-N 3.34Å; V36-S38 PolarHBondContact O-N 3.09Å; S38-R40 VanDerWaalsContact C-N 3.32Å; S38-R40 PolarHBondContact O-N 3.4Å; S38-L41 PolarHBondContact O-N 2.92Å; S38-V42 VanDerWaalsContact O-CG2 3.32Å; S38-V42 WeakPolarHBondContact O-CG2 3.13Å; S38-V42 PolarHBondContact O-N 3.5Å; S38-V42 VanDerWaalsContact O-N 3.09Å |
| 39 | E | 95.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 3% | 0.033 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.3 | -49.9 | 172.3 | 175.2 | -144.8 | 143.4 | 0 | 0 | 110.5 | F15 F35 V36 L41 V42 S43 A89 S93 | F15-E39 HydrophobicContact CE2-CB 4.33Å; F35-E39 WeakPolarHBondContact O-CB 3.29Å; F35-E39 PolarHBondContact O-N 3.11Å; V36-E39 PolarHBondContact O-N 2.87Å; E39-L41 VanDerWaalsContact C-N 3.35Å; E39-L41 PolarHBondContact O-N 3.46Å; E39-V42 PolarHBondContact O-N 2.97Å; E39-S43 WeakPolarHBondContact O-CB 3.42Å; E39-S43 PolarHBondContact O-N 3Å; E39-A89 HydrophobicContact CB-CB 4.38Å; E39-A89 HydrophobicContact CG-CB 4.21Å; E39-S93 WeakPolarHBondContact OE2-CB 3.31Å; E39-S93 PolarHBondContact OE2-OG 3.21Å |
| 40 | R | 95.8 | Very high | 95.5 | Very high | 48 Ų | 48 | 26.1 Ų | 26.1 | 18% | 0.181 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | -176.8 | -65.2 | -70.1 | 156.4 | -168 | -9.6 | 113 | V36 V37 S38 S44 S166 V170 | V36-R40 HydrophobicContact CG1-CG 4.4Å; V36-R40 WeakPolarHBondContact O-CB 3.06Å; V36-R40 WeakPolarHBondContact O-CG 3.36Å; V36-R40 PolarHBondContact O-N 3.45Å; V36-R40 VanDerWaalsContact O-N 3.07Å; V37-R40 PolarHBondContact O-N 3.2Å; S38-R40 VanDerWaalsContact C-N 3.32Å; S38-R40 PolarHBondContact O-N 3.4Å; R40-S44 WeakPolarHBondContact O-CB 3.17Å; R40-S44 PolarHBondContact O-N 3.33Å; R40-S44 PolarHBondContact O-OG 3.46Å; R40-S166 WeakPolarHBondContact CD-OG 3.29Å; R40-V170 HydrophobicContact CB-CG2 4Å |
| 41 | L | 96.3 | Very high | 95.9 | Very high | 66 Ų | 66 | 24.2 Ų | 24.2 | 35% | 0.346 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.7 | -48.9 | 174.1 | -73.6 | 173.3 | 0 | 0 | 0 | 111.5 | L22 V37 S38 E39 S43 S44 I45 | L22-L41 HydrophobicContact CD1-CD1 3.96Å; V37-L41 HydrophobicContact CG1-CD1 4.08Å; V37-L41 HydrophobicContact CG1-CG 4.27Å; V37-L41 VanDerWaalsContact O-CG 3.29Å; V37-L41 WeakPolarHBondContact O-CG 3.47Å; V37-L41 PolarHBondContact O-N 3.38Å; S38-L41 PolarHBondContact O-N 2.92Å; E39-L41 VanDerWaalsContact C-N 3.35Å; E39-L41 PolarHBondContact O-N 3.46Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-S43 PolarHBondContact O-N 3.32Å; L41-S44 PolarHBondContact O-N 3.01Å; L41-I45 WeakPolarHBondContact O-CG1 3.4Å; L41-I45 PolarHBondContact O-N 3.27Å |
| 42 | V | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | 177.9 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | F11 L14 F15 S38 E39 S44 I45 H46 Y82 | F11-V42 HydrophobicContact CB-CG1 4.47Å; F11-V42 HydrophobicContact CD1-CG1 3.95Å; L14-V42 HydrophobicContact CB-CG2 4.35Å; L14-V42 HydrophobicContact CD2-CB 4.44Å; L14-V42 HydrophobicContact CD2-CG1 4.39Å; L14-V42 HydrophobicContact CD2-CG2 4.04Å; L14-V42 HydrophobicContact CG-CG2 3.92Å; F15-V42 HydrophobicContact CB-CG2 3.92Å; F15-V42 HydrophobicContact CD2-CG2 4.27Å; S38-V42 VanDerWaalsContact O-CG2 3.32Å; S38-V42 WeakPolarHBondContact O-CG2 3.13Å; S38-V42 PolarHBondContact O-N 3.5Å; S38-V42 VanDerWaalsContact O-N 3.09Å; E39-V42 PolarHBondContact O-N 2.97Å; V42-S44 PolarHBondContact O-N 3.39Å; V42-I45 PolarHBondContact O-N 3.02Å; V42-H46 PolarHBondContact O-N 3.27Å; V42-Y82 HydrophobicContact CG1-CD2 4.13Å; V42-Y82 HydrophobicContact CG1-CE2 4.2Å |
| 43 | S | 96.8 | Very high | 96.7 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | E39 L41 I45 H46 A47 Y82 T162 | E39-S43 WeakPolarHBondContact O-CB 3.42Å; E39-S43 PolarHBondContact O-N 3Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-S43 PolarHBondContact O-N 3.32Å; S43-I45 PolarHBondContact O-N 3.35Å; S43-H46 PolarHBondContact O-N 3.43Å; S43-A47 VanDerWaalsContact O-CB 3.23Å; S43-A47 WeakPolarHBondContact O-CB 2.97Å; S43-A47 PolarHBondContact O-N 2.67Å; S43-Y82 WeakPolarHBondContact CA-OH 3.08Å; S43-Y82 WeakPolarHBondContact CB-OH 3.48Å; S43-Y82 PolarHBondContact OG-OH 3.03Å; S43-T162 WeakPolarHBondContact OG-CG2 3.4Å |
| 44 | S | 97.7 | Very high | 96.9 | Very high | 23 Ų | 23 | 24.3 Ų | 24.3 | 16% | 0.161 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.1 | -38 | 177.4 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | R40 L41 V42 T48 S166 | R40-S44 WeakPolarHBondContact O-CB 3.17Å; R40-S44 PolarHBondContact O-N 3.33Å; R40-S44 PolarHBondContact O-OG 3.46Å; L41-S44 PolarHBondContact O-N 3.01Å; V42-S44 PolarHBondContact O-N 3.39Å; S44-T48 WeakPolarHBondContact O-CB 3.44Å; S44-T48 PolarHBondContact O-N 2.97Å; S44-T48 PolarHBondContact O-OG1 3.27Å; S44-S166 WeakPolarHBondContact OG-CB 3.4Å |
| 45 | I | 97.9 | Very high | 97.1 | Very high | 64 Ų | 64 | 29.9 Ų | 29.9 | 33% | 0.328 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.4 | -48.5 | 176.7 | -72.3 | 165.6 | 0 | 0 | 0 | 110.3 | F10 L14 L41 V42 S43 A47 T48 L49 | F10-I45 HydrophobicContact CE1-CG2 4.28Å; F10-I45 HydrophobicContact CZ-CG2 4.27Å; L14-I45 HydrophobicContact CD1-CD1 4.04Å; L14-I45 HydrophobicContact CD2-CB 4.19Å; L14-I45 HydrophobicContact CD2-CD1 3.64Å; L14-I45 HydrophobicContact CD2-CG2 4.03Å; L14-I45 HydrophobicContact CG-CD1 4.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.4Å; L41-I45 PolarHBondContact O-N 3.27Å; V42-I45 PolarHBondContact O-N 3.02Å; S43-I45 PolarHBondContact O-N 3.35Å; I45-A47 VanDerWaalsContact C-N 3.31Å; I45-A47 PolarHBondContact O-N 2.88Å; I45-T48 PolarHBondContact O-N 3.37Å; I45-L49 HydrophobicContact CG2-CD1 4.15Å; I45-L49 WeakPolarHBondContact O-CG 3.44Å; I45-L49 PolarHBondContact O-N 2.93Å |
| 46 | H | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.9 | -48 | 175.5 | 177.6 | 75.2 | 0 | 0 | 0 | 111.4 | F11 V42 S43 T48 L49 A50 F75 Y82 | F11-H46 HydrophobicContact CE1-CB 3.89Å; F11-H46 AromaticContact CE1-ND1 3.86Å; F11-H46 AromaticContact CZ-ND1 3.62Å; V42-H46 PolarHBondContact O-N 3.27Å; S43-H46 PolarHBondContact O-N 3.43Å; H46-T48 VanDerWaalsContact C-N 3.32Å; H46-T48 PolarHBondContact O-N 2.91Å; H46-L49 PolarHBondContact O-N 3.39Å; H46-A50 WeakPolarHBondContact O-CB 3.43Å; H46-A50 PolarHBondContact O-N 3.09Å; H46-F75 AromaticContact CE1-CZ 3.84Å; H46-Y82 HydrophobicContact CB-CD1 4.12Å; H46-Y82 HydrophobicContact CB-CD2 3.67Å; H46-Y82 HydrophobicContact CB-CE1 4.09Å; H46-Y82 HydrophobicContact CB-CE2 3.61Å; H46-Y82 HydrophobicContact CB-CG 3.92Å; H46-Y82 AromaticContact CD2-CD1 3.29Å; H46-Y82 WeakPolarHBondContact CD2-CD1 3.45Å; H46-Y82 AromaticContact CD2-CE1 3.17Å; H46-Y82 WeakPolarHBondContact CD2-CE1 3.48Å; H46-Y82 AromaticContact CD2-CG 3.95Å; H46-Y82 AromaticContact CD2-CZ 3.73Å; H46-Y82 AromaticContact CE1-CD1 3.6Å; H46-Y82 AromaticContact CG-CD1 3.37Å; H46-Y82 AromaticContact CG-CD2 3.82Å; H46-Y82 AromaticContact CG-CE1 3.56Å; H46-Y82 AromaticContact CG-CE2 3.96Å; H46-Y82 AromaticContact CG-CG 3.51Å; H46-Y82 AromaticContact CG-CZ 3.84Å; H46-Y82 AromaticContact ND1-CD1 3.56Å; H46-Y82 AromaticContact ND1-CG 3.57Å; H46-Y82 AromaticContact NE2-CD1 3.44Å; H46-Y82 WeakPolarHBondContact NE2-CD1 3.44Å; H46-Y82 AromaticContact NE2-CE1 3.69Å |
| 47 | A | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -37.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S43 I45 A50 T51 E159 T162 P163 | S43-A47 VanDerWaalsContact O-CB 3.23Å; S43-A47 WeakPolarHBondContact O-CB 2.97Å; S43-A47 PolarHBondContact O-N 2.67Å; I45-A47 VanDerWaalsContact C-N 3.31Å; I45-A47 PolarHBondContact O-N 2.88Å; A47-A50 PolarHBondContact O-N 3.47Å; A47-T51 WeakPolarHBondContact O-CB 3.39Å; A47-T51 PolarHBondContact O-N 3.48Å; A47-T51 PolarHBondContact O-OG1 3.01Å; A47-E159 HydrophobicContact CB-CB 3.93Å; A47-E159 WeakPolarHBondContact CB-O 3.31Å; A47-T162 HydrophobicContact CB-CG2 3.91Å; A47-P163 HydrophobicContact CB-CG 4.12Å |
| 48 | T | 98.1 | Very high | 97.4 | Very high | 65 Ų | 65 | 32.2 Ų | 32.2 | 40% | 0.399 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.6 | -46.3 | 175.2 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | S44 I45 H46 A50 T51 I52 | S44-T48 WeakPolarHBondContact O-CB 3.44Å; S44-T48 PolarHBondContact O-N 2.97Å; S44-T48 PolarHBondContact O-OG1 3.27Å; I45-T48 PolarHBondContact O-N 3.37Å; H46-T48 VanDerWaalsContact C-N 3.32Å; H46-T48 PolarHBondContact O-N 2.91Å; T48-A50 PolarHBondContact O-N 3.48Å; T48-T51 PolarHBondContact O-N 2.82Å; T48-I52 HydrophobicContact CG2-CD1 3.97Å; T48-I52 VanDerWaalsContact O-CG1 3.31Å; T48-I52 WeakPolarHBondContact O-CG1 3.48Å; T48-I52 PolarHBondContact O-N 3Å |
| 49 | L | 98.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 36.5 Ų | 36.5 | 32% | 0.319 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 176 | -66.2 | 172.4 | 0 | 0 | 0 | 111.5 | F10 I45 H46 T51 I52 V53 F75 F78 | F10-L49 HydrophobicContact CE1-CD1 4.46Å; I45-L49 HydrophobicContact CG2-CD1 4.15Å; I45-L49 WeakPolarHBondContact O-CG 3.44Å; I45-L49 PolarHBondContact O-N 2.93Å; H46-L49 PolarHBondContact O-N 3.39Å; L49-T51 VanDerWaalsContact C-N 3.34Å; L49-T51 PolarHBondContact O-N 3.2Å; L49-I52 PolarHBondContact O-N 3.37Å; L49-V53 WeakPolarHBondContact O-CB 3.5Å; L49-V53 WeakPolarHBondContact O-CG2 3.39Å; L49-V53 PolarHBondContact O-N 3.02Å; L49-F75 HydrophobicContact CB-CE2 3.89Å; L49-F75 HydrophobicContact CB-CZ 4.3Å; L49-F78 HydrophobicContact CD1-CE1 4.08Å |
| 50 | A | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.6 | -47.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | H46 A47 T48 I52 V53 G54 F75 F156 E159 | H46-A50 WeakPolarHBondContact O-CB 3.43Å; H46-A50 PolarHBondContact O-N 3.09Å; A47-A50 PolarHBondContact O-N 3.47Å; T48-A50 PolarHBondContact O-N 3.48Å; A50-I52 PolarHBondContact O-N 3.41Å; A50-V53 PolarHBondContact O-N 3.47Å; A50-G54 PolarHBondContact O-N 2.99Å; A50-F75 HydrophobicContact CB-CE1 3.59Å; A50-F75 HydrophobicContact CB-CZ 3.58Å; A50-F156 HydrophobicContact CB-CB 4.38Å; A50-F156 WeakPolarHBondContact O-CB 3.34Å; A50-E159 HydrophobicContact CB-CB 4.07Å; A50-E159 HydrophobicContact CB-CG 4.21Å |
| 51 | T | 98.3 | Very high | 97.2 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 13% | 0.129 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 179.3 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | A47 T48 L49 G54 F55 F160 | A47-T51 WeakPolarHBondContact O-CB 3.39Å; A47-T51 PolarHBondContact O-N 3.48Å; A47-T51 PolarHBondContact O-OG1 3.01Å; T48-T51 PolarHBondContact O-N 2.82Å; L49-T51 VanDerWaalsContact C-N 3.34Å; L49-T51 PolarHBondContact O-N 3.2Å; T51-G54 PolarHBondContact O-N 3.46Å; T51-F55 WeakPolarHBondContact O-CB 3.33Å; T51-F55 PolarHBondContact O-N 2.94Å; T51-F160 HydrophobicContact CG2-CB 3.82Å; T51-F160 HydrophobicContact CG2-CD2 3.9Å; T51-F160 HydrophobicContact CG2-CG 4.24Å; T51-F160 VanDerWaalsContact OG1-CA 3.29Å; T51-F160 WeakPolarHBondContact OG1-CA 3.39Å; T51-F160 PolarHBondContact OG1-N 3.2Å; T51-F160 VanDerWaalsContact OG1-N 3.13Å |
| 52 | I | 98.4 | Very high | 97 | Very high | 91 Ų | 91 | 39.7 Ų | 39.7 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.6 | -49.2 | 179.1 | -68.3 | 165.3 | 0 | 0 | 0 | 110.4 | T48 L49 A50 G54 F55 I56 | T48-I52 HydrophobicContact CG2-CD1 3.97Å; T48-I52 VanDerWaalsContact O-CG1 3.31Å; T48-I52 WeakPolarHBondContact O-CG1 3.48Å; T48-I52 PolarHBondContact O-N 3Å; L49-I52 PolarHBondContact O-N 3.37Å; A50-I52 PolarHBondContact O-N 3.41Å; I52-G54 VanDerWaalsContact C-N 3.3Å; I52-G54 PolarHBondContact O-N 2.96Å; I52-F55 PolarHBondContact O-N 3.43Å; I52-I56 HydrophobicContact CG2-CD1 3.91Å; I52-I56 VanDerWaalsContact O-CG1 3.32Å; I52-I56 WeakPolarHBondContact O-CG1 3.35Å; I52-I56 PolarHBondContact O-N 3.36Å |
| 53 | V | 98.4 | Very high | 96.7 | Very high | 20 Ų | 20 | 42 Ų | 42 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 178 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | L49 A50 F55 I56 I57 L71 F75 F156 | L49-V53 WeakPolarHBondContact O-CB 3.5Å; L49-V53 WeakPolarHBondContact O-CG2 3.39Å; L49-V53 PolarHBondContact O-N 3.02Å; A50-V53 PolarHBondContact O-N 3.47Å; V53-F55 PolarHBondContact O-N 2.99Å; V53-I56 PolarHBondContact O-N 2.98Å; V53-I57 HydrophobicContact CG1-CD1 3.53Å; V53-I57 HydrophobicContact CG1-CG1 4.32Å; V53-I57 WeakPolarHBondContact O-CD1 3.29Å; V53-I57 VanDerWaalsContact O-CG1 3.25Å; V53-I57 WeakPolarHBondContact O-CG1 3.38Å; V53-I57 PolarHBondContact O-N 3.34Å; V53-L71 HydrophobicContact CG1-CB 4.14Å; V53-F75 HydrophobicContact CB-CD2 4.31Å; V53-F75 HydrophobicContact CB-CG 4.22Å; V53-F75 HydrophobicContact CG1-CB 3.83Å; V53-F75 HydrophobicContact CG1-CD1 4.3Å; V53-F75 HydrophobicContact CG1-CD2 4.44Å; V53-F75 HydrophobicContact CG1-CG 3.93Å; V53-F75 HydrophobicContact CG2-CB 4.46Å; V53-F75 HydrophobicContact CG2-CD2 3.78Å; V53-F75 HydrophobicContact CG2-CE2 4.27Å; V53-F75 HydrophobicContact CG2-CG 4.11Å; V53-F156 HydrophobicContact CG1-CD2 4.17Å; V53-F156 HydrophobicContact CG1-CE2 4.36Å |
| 54 | G | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | A50 T51 I52 I57 A58 G153 | A50-G54 PolarHBondContact O-N 2.99Å; T51-G54 PolarHBondContact O-N 3.46Å; I52-G54 VanDerWaalsContact C-N 3.3Å; I52-G54 PolarHBondContact O-N 2.96Å; G54-I57 PolarHBondContact O-N 3.11Å; G54-A58 VanDerWaalsContact O-CB 3.31Å; G54-A58 WeakPolarHBondContact O-CB 3.38Å; G54-A58 PolarHBondContact O-N 3.44Å; G54-G153 CarbonylContact C-O 3.3Å; G54-G153 WeakPolarHBondContact CA-O 3.21Å; G54-G153 WeakPolarHBondContact O-CA 3.41Å |
| 55 | F | 97.8 | Very high | 96.2 | Very high | 118 Ų | 118 | 42.5 Ų | 42.5 | 52% | 0.518 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 175.7 | 179.2 | -99.3 | 0 | 0 | 0 | 112.2 | T51 I52 V53 A58 T59 M157 | T51-F55 WeakPolarHBondContact O-CB 3.33Å; T51-F55 PolarHBondContact O-N 2.94Å; I52-F55 PolarHBondContact O-N 3.43Å; V53-F55 PolarHBondContact O-N 2.99Å; F55-A58 PolarHBondContact O-N 3.32Å; F55-T59 HydrophobicContact CD2-CG2 4.2Å; F55-T59 HydrophobicContact CE1-CG2 4.17Å; F55-T59 HydrophobicContact CE2-CG2 3.82Å; F55-T59 HydrophobicContact CZ-CG2 3.8Å; F55-T59 WeakPolarHBondContact O-CB 3.44Å; F55-T59 WeakPolarHBondContact O-CG2 3.35Å; F55-T59 PolarHBondContact O-N 3.12Å; F55-T59 PolarHBondContact O-OG1 3.35Å; F55-M157 HydrophobicContact CB-SD 4.34Å; F55-M157 HydrophobicContact CD2-CE 4.21Å |
| 56 | I | 98.3 | Very high | 95.8 | Very high | 66 Ų | 66 | 47 Ų | 47 | 34% | 0.338 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 177.3 | -67 | 165.1 | 0 | 0 | 0 | 110.5 | I52 V53 A58 T59 A60 L71 | I52-I56 HydrophobicContact CG2-CD1 3.91Å; I52-I56 VanDerWaalsContact O-CG1 3.32Å; I52-I56 WeakPolarHBondContact O-CG1 3.35Å; I52-I56 PolarHBondContact O-N 3.36Å; V53-I56 PolarHBondContact O-N 2.98Å; I56-A58 PolarHBondContact O-N 3.1Å; I56-T59 PolarHBondContact O-N 3.12Å; I56-T59 PolarHBondContact O-OG1 3.45Å; I56-A60 WeakPolarHBondContact O-CB 3.19Å; I56-A60 PolarHBondContact O-N 3.14Å; I56-L71 HydrophobicContact CB-CD1 4.37Å; I56-L71 HydrophobicContact CD1-CD1 4.45Å; I56-L71 HydrophobicContact CG2-CD1 3.76Å |
| 57 | I | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 180 | -66.7 | 161.8 | 0 | 0 | 0 | 110.7 | V53 G54 T59 A60 S61 H69 L71 T72 D149 F156 | V53-I57 HydrophobicContact CG1-CD1 3.53Å; V53-I57 HydrophobicContact CG1-CG1 4.32Å; V53-I57 WeakPolarHBondContact O-CD1 3.29Å; V53-I57 VanDerWaalsContact O-CG1 3.25Å; V53-I57 WeakPolarHBondContact O-CG1 3.38Å; V53-I57 PolarHBondContact O-N 3.34Å; G54-I57 PolarHBondContact O-N 3.11Å; I57-T59 VanDerWaalsContact C-N 3.33Å; I57-T59 PolarHBondContact O-N 3.48Å; I57-A60 PolarHBondContact O-N 2.83Å; I57-S61 PolarHBondContact O-N 2.94Å; I57-S61 PolarHBondContact O-OG 3.22Å; I57-H69 HydrophobicContact CB-CB 4.49Å; I57-H69 HydrophobicContact CG1-CB 4.06Å; I57-H69 HydrophobicContact CG2-CB 4.02Å; I57-L71 HydrophobicContact CD1-CB 4.38Å; I57-L71 HydrophobicContact CG1-CB 4.3Å; I57-T72 WeakPolarHBondContact CD1-OG1 3.16Å; I57-D149 HydrophobicContact CG2-CB 3.87Å; I57-D149 WeakPolarHBondContact CG2-O 3.37Å; I57-F156 HydrophobicContact CD1-CD2 4.21Å; I57-F156 HydrophobicContact CD1-CE2 4.22Å |
| 58 | A | 95.9 | Very high | 95.3 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.5 | -37 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G54 F55 I56 F150 M157 | G54-A58 VanDerWaalsContact O-CB 3.31Å; G54-A58 WeakPolarHBondContact O-CB 3.38Å; G54-A58 PolarHBondContact O-N 3.44Å; F55-A58 PolarHBondContact O-N 3.32Å; I56-A58 PolarHBondContact O-N 3.1Å; A58-F150 HydrophobicContact CB-CD2 4.15Å; A58-F150 HydrophobicContact CB-CE2 4.23Å; A58-M157 HydrophobicContact CB-SD 4.24Å |
| 59 | T | 95.4 | Very high | 95.1 | Very high | 90 Ų | 90 | 53 Ų | 53 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -81.8 | -25.5 | 179.7 | 53 | 0 | 0 | 0 | 0 | 113.8 | F55 I56 I57 S61 | F55-T59 HydrophobicContact CD2-CG2 4.2Å; F55-T59 HydrophobicContact CE1-CG2 4.17Å; F55-T59 HydrophobicContact CE2-CG2 3.82Å; F55-T59 HydrophobicContact CZ-CG2 3.8Å; F55-T59 WeakPolarHBondContact O-CB 3.44Å; F55-T59 WeakPolarHBondContact O-CG2 3.35Å; F55-T59 PolarHBondContact O-N 3.12Å; F55-T59 PolarHBondContact O-OG1 3.35Å; I56-T59 PolarHBondContact O-N 3.12Å; I56-T59 PolarHBondContact O-OG1 3.45Å; I57-T59 VanDerWaalsContact C-N 3.33Å; I57-T59 PolarHBondContact O-N 3.48Å; T59-S61 VanDerWaalsContact C-N 3.33Å |
| 60 | A | 95 | Very high | 94.9 | Very high | 54 Ų | 54 | 59 Ų | 59 | 45% | 0.446 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -80.1 | -13.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I56 I57 | I56-A60 WeakPolarHBondContact O-CB 3.19Å; I56-A60 PolarHBondContact O-N 3.14Å; I57-A60 PolarHBondContact O-N 2.83Å |
| 61 | S | 92.6 | Very high | 94.8 | Very high | 22 Ų | 22 | 61.1 Ų | 61.1 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | trans | -79.8 | 122.9 | -178 | -59.2 | 0 | 0 | 0 | 0 | 110.9 | I57 T59 | I57-S61 PolarHBondContact O-N 2.94Å; I57-S61 PolarHBondContact O-OG 3.22Å; T59-S61 VanDerWaalsContact C-N 3.33Å | ||
| 62 | S | 91.1 | Very high | 94.7 | Very high | 113 Ų | 113 | 60.1 Ų | 60.1 | 79% | 0.79 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -93.3 | -34.1 | 171.1 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | D67 | S62-D67 WeakPolarHBondContact CA-OD2 3.36Å; S62-D67 PolarHBondContact N-OD2 3.22Å |
| 63 | D | 92.2 | Very high | 94.6 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -115.7 | 112 | 172.6 | -170.8 | -46.8 | 0 | 0 | 0 | 110.5 | M65 Y66 D67 Q211 | D63-M65 PolarHBondContact O-N 3.32Å; D63-M65 WeakPolarHBondContact OD1-CA 3.32Å; D63-M65 PolarHBondContact OD1-N 3.4Å; D63-Y66 WeakPolarHBondContact OD1-CD2 3.31Å; D63-Y66 PolarHBondContact OD1-N 3.2Å; D63-D67 PolarHBondContact N-OD2 2.92Å; D63-D67 VanDerWaalsContact O-CB 3.22Å; D63-D67 WeakPolarHBondContact O-CB 3.37Å; D63-D67 PolarHBondContact O-N 2.9Å; D63-Q211 VanDerWaalsContact CG-NE2 3.26Å; D63-Q211 PolarHBondContact OD1-NE2 2.88Å; D63-Q211 PolarHBondContact OD2-NE2 3.12Å |
| 64 | V | 92.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -20.6 | -175.6 | -55.3 | 0 | 0 | 0 | 0 | 114 | G148 F150 F151 V207 Y208 | V64-G148 VanDerWaalsContact O-CA 3.23Å; V64-G148 WeakPolarHBondContact O-CA 3.35Å; V64-G148 PolarHBondContact O-N 3.32Å; V64-F150 HydrophobicContact CB-CB 3.92Å; V64-F150 HydrophobicContact CB-CD1 3.63Å; V64-F150 HydrophobicContact CB-CE1 4.31Å; V64-F150 HydrophobicContact CB-CG 3.79Å; V64-F150 HydrophobicContact CG1-CB 4.12Å; V64-F150 HydrophobicContact CG1-CD1 3.65Å; V64-F150 HydrophobicContact CG1-CD2 3.94Å; V64-F150 HydrophobicContact CG1-CE1 4.01Å; V64-F150 HydrophobicContact CG1-CE2 4.28Å; V64-F150 HydrophobicContact CG1-CG 3.61Å; V64-F150 HydrophobicContact CG1-CZ 4.32Å; V64-F151 HydrophobicContact CB-CE2 4.21Å; V64-F151 HydrophobicContact CB-CZ 4.23Å; V64-F151 HydrophobicContact CG2-CE2 4.15Å; V64-F151 HydrophobicContact CG2-CZ 3.93Å; V64-F151 WeakPolarHBondContact O-CD2 3.46Å; V64-F151 WeakPolarHBondContact O-CE2 3.43Å; V64-V207 HydrophobicContact CG1-CG1 3.66Å; V64-Y208 HydrophobicContact CG2-CD2 4.27Å |
| 65 | M | 90.7 | Very high | 94.4 | Very high | 35 Ų | 35 | 60.6 Ų | 60.6 | 17% | 0.172 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -30.7 | -175.9 | -74.1 | -57.6 | -62.3 | 0 | 0 | 113.4 | D63 G147 G148 F151 Y208 Y212 | D63-M65 PolarHBondContact O-N 3.32Å; D63-M65 WeakPolarHBondContact OD1-CA 3.32Å; D63-M65 PolarHBondContact OD1-N 3.4Å; M65-G147 CarbonylContact O-C 3.59Å; M65-G147 VanDerWaalsContact O-C 3.3Å; M65-G148 VanDerWaalsContact O-CA 3.28Å; M65-G148 WeakPolarHBondContact O-CA 3.41Å; M65-G148 PolarHBondContact O-N 3.43Å; M65-F151 HydrophobicContact SD-CE2 3.58Å; M65-F151 VanDerWaalsContact SD-CE2 3.58Å; M65-F151 HydrophobicContact SD-CZ 4.06Å; M65-Y208 HydrophobicContact CE-CE2 4.5Å; M65-Y208 HydrophobicContact CG-CD2 3.95Å; M65-Y208 HydrophobicContact CG-CE2 3.7Å; M65-Y208 HydrophobicContact SD-CD2 3.76Å; M65-Y208 HydrophobicContact SD-CE2 3.57Å; M65-Y208 VanDerWaalsContact SD-CE2 3.57Å; M65-Y212 HydrophobicContact CG-CE2 3.78Å; M65-Y212 WeakPolarHBondContact CG-OH 3.36Å |
| 66 | Y | 90.3 | Very high | 94.4 | Very high | 158 Ų | 158 | 55.6 Ų | 55.6 | 62% | 0.62 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | -21.5 | -169.9 | -59.4 | -70.4 | 0 | 0 | 0 | 114.4 | D63 | D63-Y66 WeakPolarHBondContact OD1-CD2 3.31Å; D63-Y66 PolarHBondContact OD1-N 3.2Å |
| 67 | D | 92.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 55.7 Ų | 55.7 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | trans | -65.8 | 141.2 | -177.9 | -77.5 | -11 | 0 | 0 | 0 | 112.3 | S62 D63 D149 | S62-D67 WeakPolarHBondContact CA-OD2 3.36Å; S62-D67 PolarHBondContact N-OD2 3.22Å; D63-D67 PolarHBondContact N-OD2 2.92Å; D63-D67 VanDerWaalsContact O-CB 3.22Å; D63-D67 WeakPolarHBondContact O-CB 3.37Å; D63-D67 PolarHBondContact O-N 2.9Å; D67-D149 PolarHBondContact O-N 3.26Å | ||
| 68 | R | 93.1 | Very high | 94.3 | Very high | 96 Ų | 96 | 57.1 Ų | 57.1 | 36% | 0.362 | 29% | 0.286 | S | S | . | . | trans | -119.9 | 135.5 | 178.2 | -62.4 | -57.2 | -172.8 | -164.3 | -7.7 | 109.8 | R143 G147 D149 | R68-R143 VanDerWaalsContact NH1-CD 3.27Å; R68-R143 PolarHBondContact NH2-O 3.36Å; R68-G147 PolarHBondContact NH1-O 3.21Å; R68-G147 PolarHBondContact NH2-O 2.85Å; R68-D149 WeakPolarHBondContact CD-OD1 3.47Å; R68-D149 IonicContact CZ-OD1 3.81Å; R68-D149 IonicContact NE-OD1 3.94Å; R68-D149 IonicContact NH1-OD1 2.89Å; R68-D149 PolarHBondContact NH1-OD1 3.33Å | ||
| 69 | H | 94.3 | Very high | 94.3 | Very high | 48 Ų | 48 | 56.7 Ų | 56.7 | 22% | 0.222 | 28% | 0.283 | C | S | . | . | trans | -120.5 | 131.8 | 179.2 | -159.6 | -78 | 0 | 0 | 0 | 110.5 | I57 L71 T72 D149 | I57-H69 HydrophobicContact CB-CB 4.49Å; I57-H69 HydrophobicContact CG1-CB 4.06Å; I57-H69 HydrophobicContact CG2-CB 4.02Å; H69-L71 VanDerWaalsContact C-N 3.29Å; H69-L71 VanDerWaalsContact CE1-CG 3.5Å; H69-L71 WeakPolarHBondContact CE1-CG 3.38Å; H69-L71 WeakPolarHBondContact ND1-CB 3.23Å; H69-L71 PolarHBondContact ND1-N 3Å; H69-L71 PolarHBondContact O-N 3.2Å; H69-T72 WeakPolarHBondContact O-CB 3.12Å; H69-T72 PolarHBondContact O-N 3.09Å; H69-T72 VanDerWaalsContact O-N 3.13Å; H69-T72 PolarHBondContact O-OG1 2.83Å; H69-T72 VanDerWaalsContact O-OG1 3.09Å; H69-D149 HydrophobicContact CB-CB 4.22Å; H69-D149 PolarHBondContact N-OD2 3.45Å | ||
| 70 | R | 94.3 | Very high | 94.3 | Very high | 185 Ų | 185 | 52.8 Ų | 52.8 | 70% | 0.698 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.2 | -40.2 | -177 | -166.1 | -179.4 | 78.8 | -160 | -2 | 112.3 | T72 N73 E74 | R70-T72 PolarHBondContact O-N 3.05Å; R70-T72 VanDerWaalsContact O-N 3.13Å; R70-N73 PolarHBondContact O-N 3.33Å; R70-E74 VanDerWaalsContact CD-OE1 3.3Å; R70-E74 WeakPolarHBondContact CD-OE1 3.41Å; R70-E74 HydrophobicContact CG-CG 4.4Å; R70-E74 WeakPolarHBondContact CG-OE1 3.38Å; R70-E74 IonicContact CZ-OE1 3.81Å; R70-E74 IonicContact NE-OE1 3.85Å; R70-E74 PolarHBondContact NE-OE1 3.4Å; R70-E74 IonicContact NE-OE2 3.83Å; R70-E74 IonicContact NH2-OE1 3.01Å; R70-E74 PolarHBondContact O-N 3.32Å |
| 71 | L | 95.6 | Very high | 94.4 | Very high | 47 Ų | 47 | 51 Ų | 51 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.2 | -27.7 | 178.9 | -68.1 | 177.7 | 0 | 0 | 0 | 113 | V53 I56 I57 H69 F75 | V53-L71 HydrophobicContact CG1-CB 4.14Å; I56-L71 HydrophobicContact CB-CD1 4.37Å; I56-L71 HydrophobicContact CD1-CD1 4.45Å; I56-L71 HydrophobicContact CG2-CD1 3.76Å; I57-L71 HydrophobicContact CD1-CB 4.38Å; I57-L71 HydrophobicContact CG1-CB 4.3Å; H69-L71 VanDerWaalsContact C-N 3.29Å; H69-L71 VanDerWaalsContact CE1-CG 3.5Å; H69-L71 WeakPolarHBondContact CE1-CG 3.38Å; H69-L71 WeakPolarHBondContact ND1-CB 3.23Å; H69-L71 PolarHBondContact ND1-N 3Å; H69-L71 PolarHBondContact O-N 3.2Å; L71-F75 WeakPolarHBondContact O-CB 3.34Å; L71-F75 PolarHBondContact O-N 3.41Å |
| 72 | T | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -51.6 | 178.1 | -45 | 0 | 0 | 0 | 0 | 110.8 | I57 H69 R70 V76 I139 D149 I152 F156 | I57-T72 WeakPolarHBondContact CD1-OG1 3.16Å; H69-T72 WeakPolarHBondContact O-CB 3.12Å; H69-T72 PolarHBondContact O-N 3.09Å; H69-T72 VanDerWaalsContact O-N 3.13Å; H69-T72 PolarHBondContact O-OG1 2.83Å; H69-T72 VanDerWaalsContact O-OG1 3.09Å; R70-T72 PolarHBondContact O-N 3.05Å; R70-T72 VanDerWaalsContact O-N 3.13Å; T72-V76 VanDerWaalsContact O-CG2 3.28Å; T72-V76 WeakPolarHBondContact O-CG2 3.27Å; T72-V76 PolarHBondContact O-N 2.94Å; T72-I139 HydrophobicContact CG2-CG2 3.98Å; T72-D149 WeakPolarHBondContact CB-OD2 3.48Å; T72-D149 PolarHBondContact OG1-OD2 3.45Å; T72-I152 HydrophobicContact CG2-CB 4.01Å; T72-I152 HydrophobicContact CG2-CD1 3.82Å; T72-I152 HydrophobicContact CG2-CG2 3.51Å; T72-F156 HydrophobicContact CG2-CE2 4.44Å |
| 73 | N | 95.4 | Very high | 94.8 | Very high | 56 Ų | 56 | 46.1 Ų | 46.1 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.7 | -43.9 | -179.4 | -68.9 | -14.5 | 0 | 0 | 0 | 111.4 | R70 F75 V76 W77 L140 R143 | R70-N73 PolarHBondContact O-N 3.33Å; N73-F75 VanDerWaalsContact C-N 3.35Å; N73-F75 PolarHBondContact O-N 2.99Å; N73-V76 PolarHBondContact O-N 3.47Å; N73-W77 PolarHBondContact O-N 2.87Å; N73-L140 HydrophobicContact CB-CD2 4.2Å; N73-R143 VanDerWaalsContact OD1-CZ 3.23Å; N73-R143 PolarHBondContact OD1-NH1 3.22Å; N73-R143 PolarHBondContact OD1-NH2 3.02Å; N73-R143 VanDerWaalsContact OD1-NH2 3.15Å |
| 74 | E | 96.4 | Very high | 94.9 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 23% | 0.229 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 179.5 | -71.5 | 177.1 | 178.8 | 0 | 0 | 111.5 | M3 R70 W77 F78 | M3-E74 HydrophobicContact CE-CB 4.31Å; M3-E74 HydrophobicContact CE-CG 4.3Å; M3-E74 HydrophobicContact CG-CB 4.08Å; M3-E74 HydrophobicContact CG-CG 4.31Å; R70-E74 VanDerWaalsContact CD-OE1 3.3Å; R70-E74 WeakPolarHBondContact CD-OE1 3.41Å; R70-E74 HydrophobicContact CG-CG 4.4Å; R70-E74 WeakPolarHBondContact CG-OE1 3.38Å; R70-E74 IonicContact CZ-OE1 3.81Å; R70-E74 IonicContact NE-OE1 3.85Å; R70-E74 PolarHBondContact NE-OE1 3.4Å; R70-E74 IonicContact NE-OE2 3.83Å; R70-E74 IonicContact NH2-OE1 3.01Å; R70-E74 PolarHBondContact O-N 3.32Å; E74-W77 PolarHBondContact O-N 2.68Å; E74-F78 WeakPolarHBondContact O-CB 3.49Å; E74-F78 PolarHBondContact O-N 3.34Å |
| 75 | F | 97.5 | Very high | 95.1 | Very high | 16 Ų | 16 | 47.2 Ų | 47.2 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.6 | -36.7 | -179.3 | -170.8 | -103.4 | 0 | 0 | 0 | 112.7 | H46 L49 A50 V53 L71 N73 F78 G79 F156 | H46-F75 AromaticContact CE1-CZ 3.84Å; L49-F75 HydrophobicContact CB-CE2 3.89Å; L49-F75 HydrophobicContact CB-CZ 4.3Å; A50-F75 HydrophobicContact CB-CE1 3.59Å; A50-F75 HydrophobicContact CB-CZ 3.58Å; V53-F75 HydrophobicContact CB-CD2 4.31Å; V53-F75 HydrophobicContact CB-CG 4.22Å; V53-F75 HydrophobicContact CG1-CB 3.83Å; V53-F75 HydrophobicContact CG1-CD1 4.3Å; V53-F75 HydrophobicContact CG1-CD2 4.44Å; V53-F75 HydrophobicContact CG1-CG 3.93Å; V53-F75 HydrophobicContact CG2-CB 4.46Å; V53-F75 HydrophobicContact CG2-CD2 3.78Å; V53-F75 HydrophobicContact CG2-CE2 4.27Å; V53-F75 HydrophobicContact CG2-CG 4.11Å; L71-F75 WeakPolarHBondContact O-CB 3.34Å; L71-F75 PolarHBondContact O-N 3.41Å; N73-F75 VanDerWaalsContact C-N 3.35Å; N73-F75 PolarHBondContact O-N 2.99Å; F75-F78 HydrophobicContact CD2-CD1 4.17Å; F75-F78 HydrophobicContact CE2-CD1 4.08Å; F75-F78 PolarHBondContact O-N 3.23Å; F75-G79 PolarHBondContact O-N 2.75Å; F75-F156 HydrophobicContact CD1-CD2 4.11Å; F75-F156 HydrophobicContact CD1-CE1 4.27Å; F75-F156 AromaticContact CD1-CE2 3.74Å; F75-F156 HydrophobicContact CD1-CE2 3.74Å; F75-F156 AromaticContact CD1-CZ 3.84Å; F75-F156 HydrophobicContact CD1-CZ 3.84Å |
| 76 | V | 96.8 | Very high | 95.3 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -44 | 173.7 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | T72 N73 F78 G79 A80 M136 I139 L140 F156 | T72-V76 VanDerWaalsContact O-CG2 3.28Å; T72-V76 WeakPolarHBondContact O-CG2 3.27Å; T72-V76 PolarHBondContact O-N 2.94Å; N73-V76 PolarHBondContact O-N 3.47Å; V76-F78 VanDerWaalsContact C-N 3.33Å; V76-F78 PolarHBondContact O-N 3Å; V76-G79 PolarHBondContact O-N 3.28Å; V76-A80 WeakPolarHBondContact O-CB 3.48Å; V76-A80 PolarHBondContact O-N 3.49Å; V76-M136 HydrophobicContact CG1-CB 4.16Å; V76-M136 HydrophobicContact CG1-CG 3.55Å; V76-I139 HydrophobicContact CG2-CB 4.36Å; V76-I139 HydrophobicContact CG2-CD1 4.18Å; V76-I139 HydrophobicContact CG2-CG2 3.74Å; V76-L140 HydrophobicContact CB-CD2 4.1Å; V76-L140 HydrophobicContact CB-CG 4.39Å; V76-L140 HydrophobicContact CG1-CD1 3.86Å; V76-L140 HydrophobicContact CG1-CD2 4.02Å; V76-L140 HydrophobicContact CG1-CG 3.76Å; V76-F156 HydrophobicContact CG2-CE1 4.45Å; V76-F156 HydrophobicContact CG2-CZ 3.71Å |
| 77 | W | 96.9 | Very high | 95.5 | Very high | 68 Ų | 68 | 39.7 Ų | 39.7 | 26% | 0.258 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 174.5 | -81.2 | 118.6 | 0 | 0 | 0 | 112.3 | M3 L4 N73 E74 P81 M136 L140 F141 | M3-W77 HydrophobicContact CB-CB 3.95Å; L4-W77 WeakPolarHBondContact CA-O 3.34Å; L4-W77 HydrophobicContact CB-CE3 4.11Å; L4-W77 HydrophobicContact CD1-CE3 4.15Å; L4-W77 HydrophobicContact CD2-CE3 4.2Å; L4-W77 HydrophobicContact CD2-CZ3 4.13Å; L4-W77 HydrophobicContact CG-CE3 4.39Å; N73-W77 PolarHBondContact O-N 2.87Å; E74-W77 PolarHBondContact O-N 2.68Å; W77-P81 WeakPolarHBondContact O-CD 3.3Å; W77-M136 HydrophobicContact CE3-CE 3.75Å; W77-M136 HydrophobicContact CH2-CE 3.9Å; W77-M136 HydrophobicContact CZ3-CE 3.4Å; W77-M136 VanDerWaalsContact CZ3-CE 3.4Å; W77-L140 HydrophobicContact CD2-CD1 3.88Å; W77-L140 HydrophobicContact CE3-CD1 4.27Å; W77-L140 HydrophobicContact CG-CD1 4.43Å; W77-L140 HydrophobicContact CG-CD2 4.49Å; W77-L140 HydrophobicContact CH2-CD1 4.03Å; W77-L140 HydrophobicContact CZ2-CD1 3.61Å; W77-L140 HydrophobicContact CZ3-CD1 4.34Å; W77-F141 HydrophobicContact CH2-CZ 4.17Å; W77-F141 AromaticContact CZ2-CZ 3.87Å; W77-F141 HydrophobicContact CZ2-CZ 3.87Å |
| 78 | F | 97.3 | Very high | 95.6 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 13% | 0.132 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.5 | -40.4 | 176.3 | 177.2 | -106 | 0 | 0 | 0 | 112.5 | M3 W6 G7 F10 F11 L49 E74 F75 V76 P81 | M3-F78 HydrophobicContact CB-CB 4.22Å; M3-F78 WeakPolarHBondContact O-CA 3.19Å; W6-F78 HydrophobicContact CB-CD2 4.22Å; W6-F78 HydrophobicContact CB-CE2 4.31Å; G7-F78 WeakPolarHBondContact CA-O 3.38Å; F10-F78 HydrophobicContact CB-CE2 4.17Å; F10-F78 HydrophobicContact CB-CZ 4.34Å; F10-F78 HydrophobicContact CD1-CE2 4.32Å; F10-F78 AromaticContact CD1-CZ 3.64Å; F10-F78 HydrophobicContact CD1-CZ 3.64Å; F10-F78 HydrophobicContact CE1-CZ 4.11Å; F10-F78 HydrophobicContact CG-CE2 4.3Å; F10-F78 HydrophobicContact CG-CZ 4.01Å; F11-F78 HydrophobicContact CE2-CD1 4.17Å; F11-F78 AromaticContact CE2-CE1 3.8Å; F11-F78 HydrophobicContact CE2-CE1 3.8Å; F11-F78 HydrophobicContact CE2-CE2 4.32Å; F11-F78 AromaticContact CE2-CZ 3.88Å; F11-F78 HydrophobicContact CE2-CZ 3.88Å; F11-F78 VanDerWaalsContact CE2-O 3.3Å; F11-F78 WeakPolarHBondContact CE2-O 3.5Å; F11-F78 HydrophobicContact CZ-CD1 4.08Å; F11-F78 AromaticContact CZ-CE1 3.45Å; F11-F78 HydrophobicContact CZ-CE1 3.45Å; F11-F78 VanDerWaalsContact CZ-CE1 3.45Å; F11-F78 AromaticContact CZ-CZ 3.79Å; F11-F78 HydrophobicContact CZ-CZ 3.79Å; L49-F78 HydrophobicContact CD1-CE1 4.08Å; E74-F78 WeakPolarHBondContact O-CB 3.49Å; E74-F78 PolarHBondContact O-N 3.34Å; F75-F78 HydrophobicContact CD2-CD1 4.17Å; F75-F78 HydrophobicContact CE2-CD1 4.08Å; F75-F78 PolarHBondContact O-N 3.23Å; V76-F78 VanDerWaalsContact C-N 3.33Å; V76-F78 PolarHBondContact O-N 3Å; F78-P81 VanDerWaalsContact O-CD 3.31Å; F78-P81 WeakPolarHBondContact O-CD 3.4Å |
| 79 | G | 96 | Very high | 95.7 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -82.7 | -19.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | F75 V76 Y82 M83 | F75-G79 PolarHBondContact O-N 2.75Å; V76-G79 PolarHBondContact O-N 3.28Å; G79-Y82 WeakPolarHBondContact O-CA 3.2Å; G79-Y82 VanDerWaalsContact O-CB 3.29Å; G79-Y82 WeakPolarHBondContact O-CB 3.4Å; G79-Y82 PolarHBondContact O-N 3.25Å; G79-M83 PolarHBondContact O-N 3.39Å; G79-M83 VanDerWaalsContact O-N 3.12Å |
| 80 | A | 95.2 | Very high | 95.7 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.6 | -43.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L4 V76 Y82 M83 A84 L132 M136 | L4-A80 HydrophobicContact CD1-CB 4.43Å; V76-A80 WeakPolarHBondContact O-CB 3.48Å; V76-A80 PolarHBondContact O-N 3.49Å; A80-Y82 VanDerWaalsContact C-N 3.28Å; A80-Y82 PolarHBondContact O-N 2.99Å; A80-M83 PolarHBondContact O-N 2.92Å; A80-A84 PolarHBondContact O-N 3.4Å; A80-A84 VanDerWaalsContact O-N 3.17Å; A80-L132 HydrophobicContact CB-CD1 4.04Å; A80-M136 HydrophobicContact CB-CE 4.1Å; A80-M136 HydrophobicContact CB-CG 4.34Å |
| 81 | P | 96.5 | Very high | 95.7 | Very high | 15 Ų | 15 | 29 Ų | 29 | 10% | 0.097 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.9 | -34.2 | 172.2 | -25.1 | 35.2 | 0 | 0 | 0 | 113.8 | L4 T8 W77 F78 F85 | L4-P81 HydrophobicContact CD1-CG 3.55Å; L4-P81 HydrophobicContact CG-CG 4.45Å; T8-P81 WeakPolarHBondContact OG1-CG 3.09Å; W77-P81 WeakPolarHBondContact O-CD 3.3Å; F78-P81 VanDerWaalsContact O-CD 3.31Å; F78-P81 WeakPolarHBondContact O-CD 3.4Å; P81-F85 WeakPolarHBondContact O-CB 3.45Å; P81-F85 PolarHBondContact O-N 3.46Å |
| 82 | Y | 96.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 2% | 0.02 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.3 | -49.9 | 172.6 | 163.8 | -94.9 | 0 | 0 | 0 | 110.6 | F11 V42 S43 H46 G79 A80 A84 F85 D86 | F11-Y82 AromaticContact CD1-CD2 3.77Å; F11-Y82 HydrophobicContact CD1-CD2 3.77Å; F11-Y82 HydrophobicContact CD1-CG 4.2Å; F11-Y82 AromaticContact CE1-CD2 3.98Å; F11-Y82 HydrophobicContact CE1-CD2 3.98Å; F11-Y82 HydrophobicContact CE1-CG 4.16Å; F11-Y82 HydrophobicContact CG-CD2 4.29Å; F11-Y82 HydrophobicContact CG-CG 4.48Å; F11-Y82 HydrophobicContact CZ-CG 4.42Å; V42-Y82 HydrophobicContact CG1-CD2 4.13Å; V42-Y82 HydrophobicContact CG1-CE2 4.2Å; S43-Y82 WeakPolarHBondContact CA-OH 3.08Å; S43-Y82 WeakPolarHBondContact CB-OH 3.48Å; S43-Y82 PolarHBondContact OG-OH 3.03Å; H46-Y82 HydrophobicContact CB-CD1 4.12Å; H46-Y82 HydrophobicContact CB-CD2 3.67Å; H46-Y82 HydrophobicContact CB-CE1 4.09Å; H46-Y82 HydrophobicContact CB-CE2 3.61Å; H46-Y82 HydrophobicContact CB-CG 3.92Å; H46-Y82 AromaticContact CD2-CD1 3.29Å; H46-Y82 WeakPolarHBondContact CD2-CD1 3.45Å; H46-Y82 AromaticContact CD2-CE1 3.17Å; H46-Y82 WeakPolarHBondContact CD2-CE1 3.48Å; H46-Y82 AromaticContact CD2-CG 3.95Å; H46-Y82 AromaticContact CD2-CZ 3.73Å; H46-Y82 AromaticContact CE1-CD1 3.6Å; H46-Y82 AromaticContact CG-CD1 3.37Å; H46-Y82 AromaticContact CG-CD2 3.82Å; H46-Y82 AromaticContact CG-CE1 3.56Å; H46-Y82 AromaticContact CG-CE2 3.96Å; H46-Y82 AromaticContact CG-CG 3.51Å; H46-Y82 AromaticContact CG-CZ 3.84Å; H46-Y82 AromaticContact ND1-CD1 3.56Å; H46-Y82 AromaticContact ND1-CG 3.57Å; H46-Y82 AromaticContact NE2-CD1 3.44Å; H46-Y82 WeakPolarHBondContact NE2-CD1 3.44Å; H46-Y82 AromaticContact NE2-CE1 3.69Å; G79-Y82 WeakPolarHBondContact O-CA 3.2Å; G79-Y82 VanDerWaalsContact O-CB 3.29Å; G79-Y82 WeakPolarHBondContact O-CB 3.4Å; G79-Y82 PolarHBondContact O-N 3.25Å; A80-Y82 VanDerWaalsContact C-N 3.28Å; A80-Y82 PolarHBondContact O-N 2.99Å; Y82-A84 VanDerWaalsContact C-N 3.26Å; Y82-A84 PolarHBondContact O-N 2.83Å; Y82-F85 PolarHBondContact O-N 3.26Å; Y82-F85 VanDerWaalsContact O-N 3.15Å; Y82-D86 HydrophobicContact CD2-CB 4.48Å; Y82-D86 HydrophobicContact CE1-CB 4.45Å; Y82-D86 HydrophobicContact CE2-CB 4.09Å; Y82-D86 VanDerWaalsContact O-CB 3.3Å; Y82-D86 WeakPolarHBondContact O-CB 3.45Å; Y82-D86 PolarHBondContact O-N 3.46Å |
| 83 | M | 94.9 | Very high | 95.5 | Very high | 28 Ų | 28 | 27.5 Ų | 27.5 | 14% | 0.138 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58 | -40.1 | -178.6 | -64 | -63.6 | 174 | 0 | 0 | 112 | G79 A80 L131 L132 | G79-M83 PolarHBondContact O-N 3.39Å; G79-M83 VanDerWaalsContact O-N 3.12Å; A80-M83 PolarHBondContact O-N 2.92Å; M83-L131 HydrophobicContact CE-CD1 3.73Å; M83-L131 HydrophobicContact SD-CB 4.22Å; M83-L131 HydrophobicContact SD-CD1 3.79Å; M83-L132 HydrophobicContact CB-CB 4.25Å; M83-L132 HydrophobicContact CB-CD1 4.34Å |
| 84 | A | 94.8 | Very high | 95.4 | Very high | 50 Ų | 50 | 25.3 Ų | 25.3 | 41% | 0.413 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -70 | -46.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A80 Y82 L132 | A80-A84 PolarHBondContact O-N 3.4Å; A80-A84 VanDerWaalsContact O-N 3.17Å; Y82-A84 VanDerWaalsContact C-N 3.26Å; Y82-A84 PolarHBondContact O-N 2.83Å; A84-L132 HydrophobicContact CB-CD2 3.97Å |
| 85 | F | 96.1 | Very high | 95.2 | Very high | 27 Ų | 27 | 23.3 Ų | 23.3 | 12% | 0.118 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.2 | -32.4 | -177.1 | -174.2 | -96.1 | 0 | 0 | 0 | 112.7 | P12 F15 P81 Y82 I87 Y88 A89 | P12-F85 HydrophobicContact CB-CD2 4.06Å; P12-F85 HydrophobicContact CB-CE2 3.71Å; P12-F85 HydrophobicContact CB-CZ 4.04Å; P12-F85 HydrophobicContact CG-CD2 3.67Å; P12-F85 HydrophobicContact CG-CE2 3.88Å; P12-F85 HydrophobicContact CG-CG 4.08Å; P12-F85 HydrophobicContact CG-CZ 4.46Å; F15-F85 HydrophobicContact CB-CE1 3.56Å; F15-F85 HydrophobicContact CB-CZ 3.86Å; F15-F85 AromaticContact CD1-CE1 4Å; F15-F85 HydrophobicContact CD1-CE1 4Å; F15-F85 AromaticContact CD1-CZ 3.68Å; F15-F85 HydrophobicContact CD1-CZ 3.68Å; F15-F85 HydrophobicContact CD2-CE1 4.06Å; F15-F85 HydrophobicContact CE1-CZ 4.25Å; F15-F85 AromaticContact CG-CE1 3.64Å; F15-F85 HydrophobicContact CG-CE1 3.64Å; F15-F85 AromaticContact CG-CZ 3.82Å; F15-F85 HydrophobicContact CG-CZ 3.82Å; P81-F85 WeakPolarHBondContact O-CB 3.45Å; P81-F85 PolarHBondContact O-N 3.46Å; Y82-F85 PolarHBondContact O-N 3.26Å; Y82-F85 VanDerWaalsContact O-N 3.15Å; F85-I87 VanDerWaalsContact C-N 3.34Å; F85-I87 PolarHBondContact O-N 3.31Å; F85-Y88 HydrophobicContact CD2-CD1 4.16Å; F85-Y88 AromaticContact CE2-CD1 3.8Å; F85-Y88 HydrophobicContact CE2-CD1 3.8Å; F85-Y88 HydrophobicContact CE2-CE1 4.19Å; F85-Y88 HydrophobicContact CZ-CD1 4.28Å; F85-Y88 CarbonylContact O-C 3.32Å; F85-Y88 WeakPolarHBondContact O-CA 3.48Å; F85-Y88 WeakPolarHBondContact O-CB 3.4Å; F85-Y88 PolarHBondContact O-N 3.46Å; F85-Y88 VanDerWaalsContact O-N 3.11Å; F85-A89 HydrophobicContact CD1-CB 4.46Å; F85-A89 HydrophobicContact CE1-CB 4.21Å; F85-A89 PolarHBondContact O-N 2.72Å |
| 86 | D | 95.1 | Very high | 95 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.027 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.1 | -36.9 | -179.5 | -161.7 | 57.3 | 0 | 0 | 0 | 111.4 | Y82 Y88 A89 M90 H128 | Y82-D86 HydrophobicContact CD2-CB 4.48Å; Y82-D86 HydrophobicContact CE1-CB 4.45Å; Y82-D86 HydrophobicContact CE2-CB 4.09Å; Y82-D86 VanDerWaalsContact O-CB 3.3Å; Y82-D86 WeakPolarHBondContact O-CB 3.45Å; Y82-D86 PolarHBondContact O-N 3.46Å; D86-Y88 VanDerWaalsContact C-N 3.27Å; D86-Y88 PolarHBondContact O-N 2.94Å; D86-A89 PolarHBondContact O-N 3.42Å; D86-M90 VanDerWaalsContact O-CB 3.31Å; D86-M90 WeakPolarHBondContact O-CB 3.36Å; D86-M90 WeakPolarHBondContact O-CG 3.12Å; D86-M90 PolarHBondContact O-N 2.91Å; D86-H128 IonicContact OD2-CD2 3.98Å; D86-H128 IonicContact OD2-CE1 2.85Å; D86-H128 IonicContact OD2-NE2 3.81Å; D86-H128 PolarHBondContact OD2-NE2 2.93Å |
| 87 | I | 94.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 25.1 Ų | 25.1 | 15% | 0.154 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.4 | -42.8 | 171.7 | -63.2 | 170.7 | 0 | 0 | 0 | 110.7 | F85 Y91 H128 M129 | F85-I87 VanDerWaalsContact C-N 3.34Å; F85-I87 PolarHBondContact O-N 3.31Å; I87-Y91 PolarHBondContact O-N 3.07Å; I87-H128 HydrophobicContact CD1-CB 3.81Å; I87-H128 HydrophobicContact CG1-CB 3.73Å; I87-M129 HydrophobicContact CD1-CG 4.05Å; I87-M129 HydrophobicContact CD1-SD 3.53Å; I87-M129 VanDerWaalsContact CD1-SD 3.53Å |
| 88 | Y | 94.9 | Very high | 94.4 | Very high | 116 Ų | 116 | 22.2 Ų | 22.2 | 46% | 0.455 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -66.5 | -45.1 | 176.3 | 172.1 | -105.5 | 0 | 0 | 0 | 112 | F85 D86 Y91 L92 | F85-Y88 HydrophobicContact CD2-CD1 4.16Å; F85-Y88 AromaticContact CE2-CD1 3.8Å; F85-Y88 HydrophobicContact CE2-CD1 3.8Å; F85-Y88 HydrophobicContact CE2-CE1 4.19Å; F85-Y88 HydrophobicContact CZ-CD1 4.28Å; F85-Y88 CarbonylContact O-C 3.32Å; F85-Y88 WeakPolarHBondContact O-CA 3.48Å; F85-Y88 WeakPolarHBondContact O-CB 3.4Å; F85-Y88 PolarHBondContact O-N 3.46Å; F85-Y88 VanDerWaalsContact O-N 3.11Å; D86-Y88 VanDerWaalsContact C-N 3.27Å; D86-Y88 PolarHBondContact O-N 2.94Å; Y88-Y91 WeakPolarHBondContact O-CB 3.23Å; Y88-Y91 PolarHBondContact O-N 3.36Å; Y88-L92 HydrophobicContact CD1-CD1 4.17Å; Y88-L92 HydrophobicContact CE1-CD1 3.47Å; Y88-L92 VanDerWaalsContact CE1-CD1 3.47Å; Y88-L92 HydrophobicContact CE1-CG 4.16Å; Y88-L92 HydrophobicContact CE2-CD1 4.24Å; Y88-L92 HydrophobicContact CE2-CD2 4.26Å; Y88-L92 HydrophobicContact CE2-CG 4.14Å; Y88-L92 PolarHBondContact O-N 3.33Å |
| 89 | A | 94.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F15 E39 F85 D86 Y91 L92 S93 | F15-A89 HydrophobicContact CD2-CB 4.35Å; F15-A89 HydrophobicContact CE2-CB 3.81Å; F15-A89 HydrophobicContact CZ-CB 4.15Å; E39-A89 HydrophobicContact CB-CB 4.38Å; E39-A89 HydrophobicContact CG-CB 4.21Å; F85-A89 HydrophobicContact CD1-CB 4.46Å; F85-A89 HydrophobicContact CE1-CB 4.21Å; F85-A89 PolarHBondContact O-N 2.72Å; D86-A89 PolarHBondContact O-N 3.42Å; A89-Y91 VanDerWaalsContact C-N 3.32Å; A89-Y91 PolarHBondContact O-N 3.48Å; A89-L92 PolarHBondContact O-N 3.44Å; A89-S93 WeakPolarHBondContact O-CB 3.42Å; A89-S93 PolarHBondContact O-N 3.27Å; A89-S93 PolarHBondContact O-OG 3.05Å |
| 90 | M | 94.3 | Very high | 93.7 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 6% | 0.059 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.8 | -41.9 | 173.6 | -74.9 | -180 | 61.3 | 0 | 0 | 112.2 | D86 N94 F117 L124 | D86-M90 VanDerWaalsContact O-CB 3.31Å; D86-M90 WeakPolarHBondContact O-CB 3.36Å; D86-M90 WeakPolarHBondContact O-CG 3.12Å; D86-M90 PolarHBondContact O-N 2.91Å; M90-N94 WeakPolarHBondContact O-CB 3.42Å; M90-N94 PolarHBondContact O-N 3.35Å; M90-F117 HydrophobicContact CB-CE2 4.03Å; M90-F117 HydrophobicContact CB-CZ 3.85Å; M90-F117 HydrophobicContact CE-CZ 4.39Å; M90-L124 HydrophobicContact CE-CB 3.72Å; M90-L124 HydrophobicContact CE-CD1 3.97Å; M90-L124 HydrophobicContact CE-CG 4.47Å |
| 91 | Y | 95.1 | Very high | 93.4 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 11% | 0.11 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.8 | 164.7 | -104.9 | 0 | 0 | 0 | 111.2 | I87 Y88 A89 N94 Y95 H109 T113 I114 F117 | I87-Y91 PolarHBondContact O-N 3.07Å; Y88-Y91 WeakPolarHBondContact O-CB 3.23Å; Y88-Y91 PolarHBondContact O-N 3.36Å; A89-Y91 VanDerWaalsContact C-N 3.32Å; A89-Y91 PolarHBondContact O-N 3.48Å; Y91-N94 PolarHBondContact O-N 3.34Å; Y91-Y95 VanDerWaalsContact O-CB 3.27Å; Y91-Y95 WeakPolarHBondContact O-CB 3.47Å; Y91-Y95 PolarHBondContact O-N 3.31Å; Y91-H109 AromaticContact CE1-ND1 3.91Å; Y91-H109 AromaticContact CZ-ND1 3.76Å; Y91-H109 PolarHBondContact OH-ND1 3.33Å; Y91-T113 PolarHBondContact OH-OG1 2.97Å; Y91-I114 HydrophobicContact CE2-CG1 3.84Å; Y91-F117 HydrophobicContact CD2-CB 3.99Å; Y91-F117 HydrophobicContact CD2-CD1 4.11Å; Y91-F117 AromaticContact CD2-CG 3.98Å; Y91-F117 HydrophobicContact CD2-CG 3.98Å |
| 92 | L | 94.2 | Very high | 92.9 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -47.7 | 177.4 | -70.4 | -175 | 0 | 0 | 0 | 112 | F35 Y88 A89 N94 Y95 H96 | F35-L92 HydrophobicContact CD1-CB 3.96Å; F35-L92 HydrophobicContact CD1-CD1 4.31Å; F35-L92 HydrophobicContact CE1-CB 3.95Å; F35-L92 HydrophobicContact CE1-CD1 3.6Å; F35-L92 HydrophobicContact CE1-CG 4.38Å; F35-L92 HydrophobicContact CZ-CD1 4.3Å; Y88-L92 HydrophobicContact CD1-CD1 4.17Å; Y88-L92 HydrophobicContact CE1-CD1 3.47Å; Y88-L92 VanDerWaalsContact CE1-CD1 3.47Å; Y88-L92 HydrophobicContact CE1-CG 4.16Å; Y88-L92 HydrophobicContact CE2-CD1 4.24Å; Y88-L92 HydrophobicContact CE2-CD2 4.26Å; Y88-L92 HydrophobicContact CE2-CG 4.14Å; Y88-L92 PolarHBondContact O-N 3.33Å; A89-L92 PolarHBondContact O-N 3.44Å; L92-N94 VanDerWaalsContact C-N 3.33Å; L92-N94 PolarHBondContact O-N 3.33Å; L92-Y95 PolarHBondContact O-N 3.02Å; L92-H96 PolarHBondContact O-CD2 3.31Å; L92-H96 VanDerWaalsContact O-CD2 3.28Å; L92-H96 PolarHBondContact O-N 3.36Å |
| 93 | S | 92.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54 | -49.7 | 174.8 | -69.9 | 0 | 0 | 0 | 0 | 111.1 | F35 E39 A89 C97 | F35-S93 PolarHBondContact O-OG 3.41Å; E39-S93 WeakPolarHBondContact OE2-CB 3.31Å; E39-S93 PolarHBondContact OE2-OG 3.21Å; A89-S93 WeakPolarHBondContact O-CB 3.42Å; A89-S93 PolarHBondContact O-N 3.27Å; A89-S93 PolarHBondContact O-OG 3.05Å; S93-C97 WeakPolarHBondContact O-CB 3.36Å; S93-C97 PolarHBondContact O-N 3.41Å; S93-C97 PolarHBondContact O-SG 3.28Å |
| 94 | N | 92.8 | Very high | 91.7 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -46.4 | 176.9 | 178.8 | 77.4 | 0 | 0 | 0 | 111.5 | M90 Y91 L92 H96 C97 Q98 F117 H121 | M90-N94 WeakPolarHBondContact O-CB 3.42Å; M90-N94 PolarHBondContact O-N 3.35Å; Y91-N94 PolarHBondContact O-N 3.34Å; L92-N94 VanDerWaalsContact C-N 3.33Å; L92-N94 PolarHBondContact O-N 3.33Å; N94-H96 PolarHBondContact O-N 3.46Å; N94-C97 PolarHBondContact O-N 3.18Å; N94-Q98 VanDerWaalsContact O-CG 3.25Å; N94-Q98 WeakPolarHBondContact O-CG 3.2Å; N94-Q98 PolarHBondContact O-N 2.9Å; N94-F117 HydrophobicContact CB-CD2 3.77Å; N94-F117 HydrophobicContact CB-CE2 4.24Å; N94-H121 PolarHBondContact OD1-NE2 3.29Å |
| 95 | Y | 93.3 | Very high | 91 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.5 | -51 | -179.7 | 175.5 | -91.6 | 0 | 0 | 0 | 111.4 | Y91 L92 Q98 K99 Y106 H109 T113 | Y91-Y95 VanDerWaalsContact O-CB 3.27Å; Y91-Y95 WeakPolarHBondContact O-CB 3.47Å; Y91-Y95 PolarHBondContact O-N 3.31Å; L92-Y95 PolarHBondContact O-N 3.02Å; Y95-Q98 PolarHBondContact O-N 3.18Å; Y95-K99 HydrophobicContact CE1-CD 4.21Å; Y95-K99 WeakPolarHBondContact O-CB 3.49Å; Y95-K99 PolarHBondContact O-N 2.94Å; Y95-Y106 AromaticContact CD2-CD1 3.6Å; Y95-Y106 HydrophobicContact CD2-CD1 3.6Å; Y95-Y106 HydrophobicContact CD2-CE1 4.35Å; Y95-Y106 HydrophobicContact CE2-CD1 4.12Å; Y95-Y106 HydrophobicContact CG-CD1 4.24Å; Y95-Y106 PolarHBondContact OH-O 2.92Å; Y95-H109 AromaticContact CD1-CE1 3.4Å; Y95-H109 VanDerWaalsContact CD1-CE1 3.4Å; Y95-H109 WeakPolarHBondContact CD1-CE1 3.3Å; Y95-H109 AromaticContact CD2-CE1 3.75Å; Y95-H109 AromaticContact CD2-ND1 3.54Å; Y95-H109 AromaticContact CE1-CE1 3.38Å; Y95-H109 WeakPolarHBondContact CE1-CE1 3.29Å; Y95-H109 AromaticContact CE1-ND1 3.98Å; Y95-H109 AromaticContact CE1-NE2 3.75Å; Y95-H109 AromaticContact CE2-CE1 3.77Å; Y95-H109 AromaticContact CE2-ND1 3.49Å; Y95-H109 WeakPolarHBondContact CE2-ND1 3.42Å; Y95-H109 AromaticContact CG-CE1 3.6Å; Y95-H109 AromaticContact CG-ND1 3.87Å; Y95-H109 AromaticContact CZ-CE1 3.59Å; Y95-H109 AromaticContact CZ-ND1 3.72Å; Y95-H109 AromaticContact CZ-NE2 3.98Å; Y95-T113 HydrophobicContact CD2-CG2 4.29Å; Y95-T113 HydrophobicContact CE2-CG2 4.22Å |
| 96 | H | 91.8 | Very high | 90.5 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 13% | 0.134 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.4 | -40.1 | 179.9 | -77.7 | -83.7 | 0 | 0 | 0 | 112.1 | A32 F35 L92 N94 Q98 K99 V100 | A32-H96 HydrophobicContact CB-CB 3.87Å; F35-H96 HydrophobicContact CD2-CB 4.12Å; F35-H96 AromaticContact CD2-CD2 3.36Å; F35-H96 WeakPolarHBondContact CD2-CD2 3.35Å; F35-H96 AromaticContact CD2-CG 3.6Å; F35-H96 AromaticContact CD2-NE2 3.78Å; F35-H96 AromaticContact CE2-CD2 3.27Å; F35-H96 WeakPolarHBondContact CE2-CD2 3.45Å; F35-H96 AromaticContact CE2-CE1 3.6Å; F35-H96 AromaticContact CE2-CG 3.8Å; F35-H96 AromaticContact CE2-ND1 3.97Å; F35-H96 AromaticContact CE2-NE2 3.17Å; F35-H96 WeakPolarHBondContact CE2-NE2 3.4Å; F35-H96 AromaticContact CZ-CD2 3.86Å; F35-H96 AromaticContact CZ-NE2 3.63Å; L92-H96 PolarHBondContact O-CD2 3.31Å; L92-H96 VanDerWaalsContact O-CD2 3.28Å; L92-H96 PolarHBondContact O-N 3.36Å; N94-H96 PolarHBondContact O-N 3.46Å; H96-Q98 PolarHBondContact O-N 3.42Å; H96-K99 PolarHBondContact O-N 3.19Å; H96-V100 WeakPolarHBondContact O-CG2 3.45Å; H96-V100 PolarHBondContact O-N 2.85Å |
| 97 | C | 90.4 | Very high | 89.8 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 174.3 | -77.6 | 0 | 0 | 0 | 0 | 112.6 | V36 S93 N94 K101 | V36-C97 WeakPolarHBondContact CG2-SG 3.32Å; S93-C97 WeakPolarHBondContact O-CB 3.36Å; S93-C97 PolarHBondContact O-N 3.41Å; S93-C97 PolarHBondContact O-SG 3.28Å; N94-C97 PolarHBondContact O-N 3.18Å; C97-K101 WeakPolarHBondContact O-CG 3.4Å; C97-K101 PolarHBondContact O-N 2.79Å |
| 98 | Q | 91.1 | Very high | 89.4 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73 | -32.1 | 180 | -62.5 | -57.4 | -21.3 | 0 | 0 | 112.2 | N94 Y95 H96 K101 G102 H103 Y106 R120 | N94-Q98 VanDerWaalsContact O-CG 3.25Å; N94-Q98 WeakPolarHBondContact O-CG 3.2Å; N94-Q98 PolarHBondContact O-N 2.9Å; Y95-Q98 PolarHBondContact O-N 3.18Å; H96-Q98 PolarHBondContact O-N 3.42Å; Q98-K101 PolarHBondContact O-N 3.28Å; Q98-G102 PolarHBondContact O-N 2.95Å; Q98-H103 PolarHBondContact O-N 3.08Å; Q98-H103 PolarHBondContact O-ND1 2.93Å; Q98-H103 PolarHBondContact OE1-CE1 3.28Å; Q98-H103 PolarHBondContact OE1-ND1 3.04Å; Q98-H103 VanDerWaalsContact OE1-ND1 3.08Å; Q98-Y106 HydrophobicContact CB-CD1 3.65Å; Q98-Y106 HydrophobicContact CB-CD2 3.52Å; Q98-Y106 HydrophobicContact CB-CE1 3.64Å; Q98-Y106 HydrophobicContact CB-CE2 3.51Å; Q98-Y106 HydrophobicContact CB-CG 3.59Å; Q98-Y106 HydrophobicContact CG-CD1 4.39Å; Q98-Y106 HydrophobicContact CG-CD2 4.39Å; Q98-Y106 HydrophobicContact CG-CE1 3.87Å; Q98-Y106 HydrophobicContact CG-CE2 3.87Å; Q98-R120 VanDerWaalsContact NE2-CZ 3.3Å |
| 99 | K | 90.5 | Very high | 89.1 | Confident | 106 Ų | 106 | 60 Ų | 60 | 46% | 0.461 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 173.2 | -174.8 | 176.5 | 178.9 | 177.9 | 0 | 111.8 | Y95 H96 K101 G102 | Y95-K99 HydrophobicContact CE1-CD 4.21Å; Y95-K99 WeakPolarHBondContact O-CB 3.49Å; Y95-K99 PolarHBondContact O-N 2.94Å; H96-K99 PolarHBondContact O-N 3.19Å; K99-K101 PolarHBondContact O-N 3.39Å; K99-G102 PolarHBondContact O-N 3.41Å |
| 100 | V | 89.4 | Confident | 88.9 | Confident | 91 Ų | 91 | 62.2 Ų | 62.2 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.6 | -31.5 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | A32 H96 G102 | A32-V100 HydrophobicContact CB-CG2 3.86Å; H96-V100 WeakPolarHBondContact O-CG2 3.45Å; H96-V100 PolarHBondContact O-N 2.85Å; V100-G102 PolarHBondContact O-N 2.91Å |
| 101 | K | 87.8 | Confident | 88.8 | Confident | 138 Ų | 138 | 68.8 Ų | 68.8 | 60% | 0.6 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -0.7 | 174.4 | -69.9 | 176.5 | -178.6 | -174.9 | 0 | 114.5 | C97 Q98 K99 | C97-K101 WeakPolarHBondContact O-CG 3.4Å; C97-K101 PolarHBondContact O-N 2.79Å; Q98-K101 PolarHBondContact O-N 3.28Å; K99-K101 PolarHBondContact O-N 3.39Å |
| 102 | G | 85.4 | Confident | 88.5 | Confident | 57 Ų | 57 | 72 Ų | 72 | 59% | 0.588 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 18.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q98 K99 V100 E104 | Q98-G102 PolarHBondContact O-N 2.95Å; K99-G102 PolarHBondContact O-N 3.41Å; V100-G102 PolarHBondContact O-N 2.91Å; G102-E104 PolarHBondContact O-N 3.38Å |
| 103 | H | 85.4 | Confident | 88.4 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 43% | 0.431 | 36% | 0.362 | S | S | . | . | trans | -72.1 | 117.8 | 176.7 | -67.2 | 101.2 | 0 | 0 | 0 | 111.2 | Q98 A105 Y106 | Q98-H103 PolarHBondContact O-N 3.08Å; Q98-H103 PolarHBondContact O-ND1 2.93Å; Q98-H103 PolarHBondContact OE1-CE1 3.28Å; Q98-H103 PolarHBondContact OE1-ND1 3.04Å; Q98-H103 VanDerWaalsContact OE1-ND1 3.08Å; H103-A105 PolarHBondContact O-N 2.95Å; H103-A105 VanDerWaalsContact O-N 3.11Å; H103-Y106 HydrophobicContact CB-CD2 3.69Å; H103-Y106 HydrophobicContact CB-CE2 4.24Å; H103-Y106 PolarHBondContact O-N 3.1Å | ||
| 104 | E | 81.2 | Confident | 88.4 | Confident | 125 Ų | 125 | 74.7 Ų | 74.7 | 58% | 0.584 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -50.4 | -38.3 | -177.6 | -77.1 | -68.9 | 150 | 0 | 0 | 114 | G102 Y106 R107 | G102-E104 PolarHBondContact O-N 3.38Å; E104-Y106 PolarHBondContact O-N 3.1Å; E104-R107 PolarHBondContact O-N 3.36Å; E104-R107 IonicContact OE1-CZ 3.59Å; E104-R107 IonicContact OE1-NH1 2.76Å; E104-R107 WeakPolarHBondContact OE2-CD 3.41Å; E104-R107 IonicContact OE2-CZ 2.99Å; E104-R107 VanDerWaalsContact OE2-CZ 3.27Å; E104-R107 IonicContact OE2-NE 3.79Å; E104-R107 PolarHBondContact OE2-NE 3.04Å; E104-R107 IonicContact OE2-NH1 3.54Å; E104-R107 PolarHBondContact OE2-NH1 3.24Å |
| 105 | A | 80.6 | Confident | 88.3 | Confident | 38 Ų | 38 | 80.6 Ų | 80.6 | 31% | 0.314 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -59 | -20.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | H103 L112 T113 L116 | H103-A105 PolarHBondContact O-N 2.95Å; H103-A105 VanDerWaalsContact O-N 3.11Å; A105-L112 HydrophobicContact CB-CD2 4.22Å; A105-T113 WeakPolarHBondContact O-CG2 3.43Å; A105-L116 HydrophobicContact CB-CD1 3.97Å |
| 106 | Y | 86.3 | Confident | 88.3 | Confident | 11 Ų | 11 | 83.1 Ų | 83.1 | 4% | 0.043 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -99.3 | 16.1 | -175.7 | -66.5 | -95.5 | 0 | 0 | 0 | 113.6 | Y95 Q98 H103 E104 K108 T113 L116 | Y95-Y106 AromaticContact CD2-CD1 3.6Å; Y95-Y106 HydrophobicContact CD2-CD1 3.6Å; Y95-Y106 HydrophobicContact CD2-CE1 4.35Å; Y95-Y106 HydrophobicContact CE2-CD1 4.12Å; Y95-Y106 HydrophobicContact CG-CD1 4.24Å; Y95-Y106 PolarHBondContact OH-O 2.92Å; Q98-Y106 HydrophobicContact CB-CD1 3.65Å; Q98-Y106 HydrophobicContact CB-CD2 3.52Å; Q98-Y106 HydrophobicContact CB-CE1 3.64Å; Q98-Y106 HydrophobicContact CB-CE2 3.51Å; Q98-Y106 HydrophobicContact CB-CG 3.59Å; Q98-Y106 HydrophobicContact CG-CD1 4.39Å; Q98-Y106 HydrophobicContact CG-CD2 4.39Å; Q98-Y106 HydrophobicContact CG-CE1 3.87Å; Q98-Y106 HydrophobicContact CG-CE2 3.87Å; H103-Y106 HydrophobicContact CB-CD2 3.69Å; H103-Y106 HydrophobicContact CB-CE2 4.24Å; H103-Y106 PolarHBondContact O-N 3.1Å; E104-Y106 PolarHBondContact O-N 3.1Å; Y106-K108 VanDerWaalsContact C-N 3.35Å; Y106-T113 HydrophobicContact CD1-CG2 3.93Å; Y106-T113 HydrophobicContact CE1-CG2 4.17Å; Y106-T113 HydrophobicContact CG-CG2 4.3Å; Y106-L116 HydrophobicContact CE2-CD1 4.12Å |
| 107 | R | 80.4 | Confident | 88.3 | Confident | 178 Ų | 178 | 82 Ų | 82 | 67% | 0.672 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -64.2 | -36.3 | 173.4 | -83.9 | -179.1 | 155.9 | 172.2 | -10.3 | 113.5 | E104 | E104-R107 PolarHBondContact O-N 3.36Å; E104-R107 IonicContact OE1-CZ 3.59Å; E104-R107 IonicContact OE1-NH1 2.76Å; E104-R107 WeakPolarHBondContact OE2-CD 3.41Å; E104-R107 IonicContact OE2-CZ 2.99Å; E104-R107 VanDerWaalsContact OE2-CZ 3.27Å; E104-R107 IonicContact OE2-NE 3.79Å; E104-R107 PolarHBondContact OE2-NE 3.04Å; E104-R107 IonicContact OE2-NH1 3.54Å; E104-R107 PolarHBondContact OE2-NH1 3.24Å |
| 108 | K | 85.6 | Confident | 88.4 | Confident | 169 Ų | 169 | 84 Ų | 84 | 74% | 0.735 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -138.3 | 152 | 177.8 | -66.6 | -175.6 | 179.6 | -179.6 | 0 | 110.2 | Y106 S110 | Y106-K108 VanDerWaalsContact C-N 3.35Å; K108-S110 PolarHBondContact O-N 3.27Å |
| 109 | H | 88.9 | Confident | 88.5 | Confident | 107 Ų | 107 | 89.4 Ų | 89.4 | 50% | 0.495 | 45% | 0.449 | S | S | . | . | trans | -62.7 | 130.6 | 168.7 | -66.4 | -65.9 | 0 | 0 | 0 | 109.5 | Y91 Y95 | Y91-H109 AromaticContact CE1-ND1 3.91Å; Y91-H109 AromaticContact CZ-ND1 3.76Å; Y91-H109 PolarHBondContact OH-ND1 3.33Å; Y95-H109 AromaticContact CD1-CE1 3.4Å; Y95-H109 VanDerWaalsContact CD1-CE1 3.4Å; Y95-H109 WeakPolarHBondContact CD1-CE1 3.3Å; Y95-H109 AromaticContact CD2-CE1 3.75Å; Y95-H109 AromaticContact CD2-ND1 3.54Å; Y95-H109 AromaticContact CE1-CE1 3.38Å; Y95-H109 WeakPolarHBondContact CE1-CE1 3.29Å; Y95-H109 AromaticContact CE1-ND1 3.98Å; Y95-H109 AromaticContact CE1-NE2 3.75Å; Y95-H109 AromaticContact CE2-CE1 3.77Å; Y95-H109 AromaticContact CE2-ND1 3.49Å; Y95-H109 WeakPolarHBondContact CE2-ND1 3.42Å; Y95-H109 AromaticContact CG-CE1 3.6Å; Y95-H109 AromaticContact CG-ND1 3.87Å; Y95-H109 AromaticContact CZ-CE1 3.59Å; Y95-H109 AromaticContact CZ-ND1 3.72Å; Y95-H109 AromaticContact CZ-NE2 3.98Å | ||
| 110 | S | 90.9 | Very high | 88.4 | Confident | 47 Ų | 47 | 90.9 Ų | 90.9 | 33% | 0.329 | 45% | 0.452 | S | S | . | . | trans | -153.2 | 162.9 | -178.7 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | K108 L112 T113 I114 | K108-S110 PolarHBondContact O-N 3.27Å; S110-L112 PolarHBondContact O-N 3.17Å; S110-T113 PolarHBondContact N-OG1 2.87Å; S110-T113 PolarHBondContact O-N 3.17Å; S110-T113 PolarHBondContact O-OG1 3.37Å; S110-T113 PolarHBondContact OG-N 3.25Å; S110-I114 PolarHBondContact O-N 3.1Å | ||
| 111 | L | 90.3 | Very high | 88.5 | Confident | 150 Ų | 150 | 89.4 Ų | 89.4 | 79% | 0.785 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -57 | -31.3 | 172.2 | -65.4 | 178.7 | 0 | 0 | 0 | 112 | I114 K115 | L111-I114 HydrophobicContact CD2-CD1 4.48Å; L111-I114 PolarHBondContact O-N 2.98Å; L111-K115 WeakPolarHBondContact O-CB 3.46Å; L111-K115 PolarHBondContact O-N 2.88Å |
| 112 | L | 90.3 | Very high | 88.7 | Confident | 95 Ų | 95 | 86 Ų | 86 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 173.7 | -179.9 | 62.4 | 0 | 0 | 0 | 111.6 | A105 S110 I114 K115 L116 | A105-L112 HydrophobicContact CB-CD2 4.22Å; S110-L112 PolarHBondContact O-N 3.17Å; L112-I114 VanDerWaalsContact C-N 3.29Å; L112-I114 PolarHBondContact O-N 2.95Å; L112-K115 PolarHBondContact O-N 3.4Å; L112-L116 HydrophobicContact CD1-CD1 4.36Å; L112-L116 HydrophobicContact CD1-CG 4.26Å; L112-L116 HydrophobicContact CG-CD1 4.13Å; L112-L116 HydrophobicContact CG-CG 4.45Å; L112-L116 WeakPolarHBondContact O-CB 3.48Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.21Å; L112-L116 PolarHBondContact O-N 3.45Å |
| 113 | T | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.4 | -35 | 177.9 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | Y91 Y95 A105 Y106 S110 F117 | Y91-T113 PolarHBondContact OH-OG1 2.97Å; Y95-T113 HydrophobicContact CD2-CG2 4.29Å; Y95-T113 HydrophobicContact CE2-CG2 4.22Å; A105-T113 WeakPolarHBondContact O-CG2 3.43Å; Y106-T113 HydrophobicContact CD1-CG2 3.93Å; Y106-T113 HydrophobicContact CE1-CG2 4.17Å; Y106-T113 HydrophobicContact CG-CG2 4.3Å; S110-T113 PolarHBondContact N-OG1 2.87Å; S110-T113 PolarHBondContact O-N 3.17Å; S110-T113 PolarHBondContact O-OG1 3.37Å; S110-T113 PolarHBondContact OG-N 3.25Å; T113-F117 WeakPolarHBondContact O-CB 3.44Å; T113-F117 PolarHBondContact O-N 3.37Å |
| 114 | I | 91.4 | Very high | 89.2 | Confident | 73 Ų | 73 | 84.9 Ų | 84.9 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68 | -47.9 | 174.7 | -62.7 | 171.5 | 0 | 0 | 0 | 110 | Y91 S110 L111 L112 L116 F117 L118 | Y91-I114 HydrophobicContact CE2-CG1 3.84Å; S110-I114 PolarHBondContact O-N 3.1Å; L111-I114 HydrophobicContact CD2-CD1 4.48Å; L111-I114 PolarHBondContact O-N 2.98Å; L112-I114 VanDerWaalsContact C-N 3.29Å; L112-I114 PolarHBondContact O-N 2.95Å; I114-L116 VanDerWaalsContact C-N 3.33Å; I114-L116 PolarHBondContact O-N 3.45Å; I114-F117 WeakPolarHBondContact O-CB 3.25Å; I114-F117 PolarHBondContact O-N 2.93Å; I114-F117 VanDerWaalsContact O-N 3.12Å; I114-L118 HydrophobicContact CG2-CD1 4.2Å; I114-L118 HydrophobicContact CG2-CG 4.43Å; I114-L118 WeakPolarHBondContact O-CG 3.25Å; I114-L118 PolarHBondContact O-N 2.91Å |
| 115 | K | 92.3 | Very high | 89.8 | Confident | 134 Ų | 134 | 79.5 Ų | 79.5 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -57.8 | -44.7 | 177 | -175 | 177.8 | 179.6 | 178.9 | 0 | 111.7 | L111 L112 F117 L118 L119 | L111-K115 WeakPolarHBondContact O-CB 3.46Å; L111-K115 PolarHBondContact O-N 2.88Å; L112-K115 PolarHBondContact O-N 3.4Å; K115-F117 VanDerWaalsContact C-N 3.33Å; K115-F117 PolarHBondContact O-N 3.13Å; K115-L118 PolarHBondContact O-N 2.96Å; K115-L119 HydrophobicContact CG-CD1 4.1Å; K115-L119 WeakPolarHBondContact O-CG 3.19Å; K115-L119 PolarHBondContact O-N 2.66Å |
| 116 | L | 92.1 | Very high | 90.4 | Very high | 61 Ų | 61 | 81.9 Ų | 81.9 | 32% | 0.319 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 176.8 | -70.7 | 174.6 | 0 | 0 | 0 | 112.3 | A105 Y106 L112 I114 R120 | A105-L116 HydrophobicContact CB-CD1 3.97Å; Y106-L116 HydrophobicContact CE2-CD1 4.12Å; L112-L116 HydrophobicContact CD1-CD1 4.36Å; L112-L116 HydrophobicContact CD1-CG 4.26Å; L112-L116 HydrophobicContact CG-CD1 4.13Å; L112-L116 HydrophobicContact CG-CG 4.45Å; L112-L116 WeakPolarHBondContact O-CB 3.48Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.21Å; L112-L116 PolarHBondContact O-N 3.45Å; I114-L116 VanDerWaalsContact C-N 3.33Å; I114-L116 PolarHBondContact O-N 3.45Å; L116-R120 VanDerWaalsContact O-CB 3.25Å; L116-R120 WeakPolarHBondContact O-CB 3.33Å; L116-R120 PolarHBondContact O-N 3.24Å |
| 117 | F | 92.5 | Very high | 90.8 | Very high | 5 Ų | 5 | 83.2 Ų | 83.2 | 2% | 0.022 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 174.2 | 165.4 | -107.4 | 0 | 0 | 0 | 111.8 | M90 Y91 N94 T113 I114 K115 L119 R120 H121 V125 | M90-F117 HydrophobicContact CB-CE2 4.03Å; M90-F117 HydrophobicContact CB-CZ 3.85Å; M90-F117 HydrophobicContact CE-CZ 4.39Å; Y91-F117 HydrophobicContact CD2-CB 3.99Å; Y91-F117 HydrophobicContact CD2-CD1 4.11Å; Y91-F117 AromaticContact CD2-CG 3.98Å; Y91-F117 HydrophobicContact CD2-CG 3.98Å; N94-F117 HydrophobicContact CB-CD2 3.77Å; N94-F117 HydrophobicContact CB-CE2 4.24Å; T113-F117 WeakPolarHBondContact O-CB 3.44Å; T113-F117 PolarHBondContact O-N 3.37Å; I114-F117 WeakPolarHBondContact O-CB 3.25Å; I114-F117 PolarHBondContact O-N 2.93Å; I114-F117 VanDerWaalsContact O-N 3.12Å; K115-F117 VanDerWaalsContact C-N 3.33Å; K115-F117 PolarHBondContact O-N 3.13Å; F117-L119 VanDerWaalsContact C-N 3.34Å; F117-L119 PolarHBondContact O-N 3.21Å; F117-R120 PolarHBondContact O-N 2.89Å; F117-R120 VanDerWaalsContact O-N 3.12Å; F117-H121 AromaticContact CD2-CD2 3.79Å; F117-H121 AromaticContact CE2-CD2 3.86Å; F117-H121 PolarHBondContact O-N 3.2Å; F117-V125 HydrophobicContact CE1-CG2 3.67Å; F117-V125 HydrophobicContact CZ-CG2 3.69Å |
| 118 | L | 92.6 | Very high | 91.5 | Very high | 78 Ų | 78 | 75.5 Ų | 75.5 | 41% | 0.408 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 179.6 | -65.8 | 176.7 | 0 | 0 | 0 | 112.1 | I114 K115 R120 P122 V125 | I114-L118 HydrophobicContact CG2-CD1 4.2Å; I114-L118 HydrophobicContact CG2-CG 4.43Å; I114-L118 WeakPolarHBondContact O-CG 3.25Å; I114-L118 PolarHBondContact O-N 2.91Å; K115-L118 PolarHBondContact O-N 2.96Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 3.24Å; L118-P122 VanDerWaalsContact O-CA 3.26Å; L118-P122 WeakPolarHBondContact O-CA 3.25Å; L118-P122 WeakPolarHBondContact O-CB 3.5Å; L118-P122 WeakPolarHBondContact O-CD 3.17Å; L118-V125 HydrophobicContact CD2-CB 4.4Å; L118-V125 HydrophobicContact CD2-CG1 3.73Å; L118-V125 HydrophobicContact CD2-CG2 4.3Å |
| 119 | L | 91.9 | Very high | 91.9 | Very high | 122 Ų | 122 | 71.5 Ų | 71.5 | 64% | 0.639 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.7 | -27 | 177.1 | -69.9 | 173.7 | 0 | 0 | 0 | 113 | K115 F117 P122 | K115-L119 HydrophobicContact CG-CD1 4.1Å; K115-L119 WeakPolarHBondContact O-CG 3.19Å; K115-L119 PolarHBondContact O-N 2.66Å; F117-L119 VanDerWaalsContact C-N 3.34Å; F117-L119 PolarHBondContact O-N 3.21Å; L119-P122 WeakPolarHBondContact O-CD 3.44Å |
| 120 | R | 90.3 | Very high | 92.2 | Very high | 137 Ų | 137 | 69 Ų | 69 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -82.9 | -35.3 | -178.8 | -169 | 174.6 | -169.7 | 107 | 5.8 | 112.9 | Q98 L116 F117 L118 | Q98-R120 VanDerWaalsContact NE2-CZ 3.3Å; L116-R120 VanDerWaalsContact O-CB 3.25Å; L116-R120 WeakPolarHBondContact O-CB 3.33Å; L116-R120 PolarHBondContact O-N 3.24Å; F117-R120 PolarHBondContact O-N 2.89Å; F117-R120 VanDerWaalsContact O-N 3.12Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 3.24Å |
| 121 | H | 91.3 | Very high | 92.3 | Very high | 59 Ų | 59 | 68.5 Ų | 68.5 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -125.5 | 46.3 | -176.8 | -54.8 | -73.5 | 0 | 0 | 0 | 112.9 | N94 F117 L123 L124 V125 | N94-H121 PolarHBondContact OD1-NE2 3.29Å; F117-H121 AromaticContact CD2-CD2 3.79Å; F117-H121 AromaticContact CE2-CD2 3.86Å; F117-H121 PolarHBondContact O-N 3.2Å; H121-L123 VanDerWaalsContact C-N 3.32Å; H121-L123 PolarHBondContact O-N 3.08Å; H121-L124 PolarHBondContact O-N 3.13Å; H121-V125 WeakPolarHBondContact O-CG2 3.39Å; H121-V125 PolarHBondContact O-N 3.31Å; H121-V125 VanDerWaalsContact O-N 3.17Å |
| 122 | P | 91.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 63.5 Ų | 63.5 | 44% | 0.442 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | -168.4 | 24.8 | -34.3 | 0 | 0 | 0 | 111.8 | L118 L119 V125 V126 | L118-P122 VanDerWaalsContact O-CA 3.26Å; L118-P122 WeakPolarHBondContact O-CA 3.25Å; L118-P122 WeakPolarHBondContact O-CB 3.5Å; L118-P122 WeakPolarHBondContact O-CD 3.17Å; L119-P122 WeakPolarHBondContact O-CD 3.44Å; P122-V125 PolarHBondContact O-N 3.25Å; P122-V126 VanDerWaalsContact O-CB 3.31Å; P122-V126 WeakPolarHBondContact O-CB 3.39Å; P122-V126 WeakPolarHBondContact O-CG2 3.12Å; P122-V126 PolarHBondContact O-N 2.76Å |
| 123 | L | 90.4 | Very high | 92.7 | Very high | 65 Ų | 65 | 62.8 Ų | 62.8 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.4 | -36.5 | -172.2 | -170.4 | 147.4 | 0 | 0 | 0 | 112.6 | H121 H127 Y240 W241 | H121-L123 VanDerWaalsContact C-N 3.32Å; H121-L123 PolarHBondContact O-N 3.08Å; L123-H127 VanDerWaalsContact O-CB 3.25Å; L123-H127 WeakPolarHBondContact O-CB 3.27Å; L123-H127 PolarHBondContact O-N 2.72Å; L123-Y240 HydrophobicContact CD1-CD1 3.78Å; L123-Y240 HydrophobicContact CD1-CE1 3.72Å; L123-W241 HydrophobicContact CD2-CD2 4.12Å; L123-W241 HydrophobicContact CD2-CH2 4.07Å; L123-W241 HydrophobicContact CD2-CZ2 3.07Å; L123-W241 HydrophobicContact CG-CZ2 4.42Å |
| 124 | L | 91.1 | Very high | 92.8 | Very high | 61 Ų | 61 | 66.2 Ų | 66.2 | 32% | 0.319 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.7 | -39.1 | 174 | -76.3 | 168 | 0 | 0 | 0 | 112 | M90 H121 H127 H128 W241 | M90-L124 HydrophobicContact CE-CB 3.72Å; M90-L124 HydrophobicContact CE-CD1 3.97Å; M90-L124 HydrophobicContact CE-CG 4.47Å; H121-L124 PolarHBondContact O-N 3.13Å; L124-H127 WeakPolarHBondContact O-CB 3.29Å; L124-H127 PolarHBondContact O-N 3.3Å; L124-H128 PolarHBondContact O-N 3.18Å; L124-H128 VanDerWaalsContact O-N 3.14Å; L124-H128 PolarHBondContact O-ND1 2.76Å; L124-W241 HydrophobicContact CD2-CZ2 4.06Å |
| 125 | V | 93.1 | Very high | 92.9 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 7% | 0.067 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.3 | -47.8 | 178.2 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | F117 L118 H121 P122 H127 H128 M129 | F117-V125 HydrophobicContact CE1-CG2 3.67Å; F117-V125 HydrophobicContact CZ-CG2 3.69Å; L118-V125 HydrophobicContact CD2-CB 4.4Å; L118-V125 HydrophobicContact CD2-CG1 3.73Å; L118-V125 HydrophobicContact CD2-CG2 4.3Å; H121-V125 WeakPolarHBondContact O-CG2 3.39Å; H121-V125 PolarHBondContact O-N 3.31Å; H121-V125 VanDerWaalsContact O-N 3.17Å; P122-V125 PolarHBondContact O-N 3.25Å; V125-H127 VanDerWaalsContact C-N 3.27Å; V125-H127 PolarHBondContact O-N 2.89Å; V125-H128 PolarHBondContact O-N 2.8Å; V125-M129 HydrophobicContact CG1-CG 4.2Å; V125-M129 WeakPolarHBondContact O-CB 3.44Å; V125-M129 VanDerWaalsContact O-CG 3.29Å; V125-M129 WeakPolarHBondContact O-CG 3.3Å; V125-M129 PolarHBondContact O-N 3.04Å |
| 126 | V | 93.8 | Very high | 93 | Very high | 88 Ų | 88 | 60.8 Ų | 60.8 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 176.4 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | P122 M129 V130 | P122-V126 VanDerWaalsContact O-CB 3.31Å; P122-V126 WeakPolarHBondContact O-CB 3.39Å; P122-V126 WeakPolarHBondContact O-CG2 3.12Å; P122-V126 PolarHBondContact O-N 2.76Å; V126-M129 PolarHBondContact O-N 2.97Å; V126-V130 HydrophobicContact CG1-CG2 4.13Å; V126-V130 WeakPolarHBondContact O-CB 3.21Å; V126-V130 VanDerWaalsContact O-CG2 3.27Å; V126-V130 WeakPolarHBondContact O-CG2 3.31Å; V126-V130 PolarHBondContact O-N 3.39Å |
| 127 | H | 93.4 | Very high | 93.1 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 19% | 0.185 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56 | -52.6 | 175.3 | 173.5 | 72.8 | 0 | 0 | 0 | 112.4 | L123 L124 V125 M129 V130 L131 W241 | L123-H127 VanDerWaalsContact O-CB 3.25Å; L123-H127 WeakPolarHBondContact O-CB 3.27Å; L123-H127 PolarHBondContact O-N 2.72Å; L124-H127 WeakPolarHBondContact O-CB 3.29Å; L124-H127 PolarHBondContact O-N 3.3Å; V125-H127 VanDerWaalsContact C-N 3.27Å; V125-H127 PolarHBondContact O-N 2.89Å; H127-M129 PolarHBondContact O-N 3.49Å; H127-V130 PolarHBondContact O-N 3.31Å; H127-L131 WeakPolarHBondContact NE2-CD1 3.37Å; H127-L131 WeakPolarHBondContact O-CG 3.45Å; H127-L131 PolarHBondContact O-N 3.33Å; H127-W241 HydrophobicContact CB-CH2 4.09Å; H127-W241 AromaticContact CG-CH2 3.78Å; H127-W241 AromaticContact ND1-CH2 3.8Å |
| 128 | H | 94.9 | Very high | 93 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.6 | -38 | 179.2 | -71.7 | 81.6 | 0 | 0 | 0 | 112.5 | D86 I87 L124 V125 L131 L132 | D86-H128 IonicContact OD2-CD2 3.98Å; D86-H128 IonicContact OD2-CE1 2.85Å; D86-H128 IonicContact OD2-NE2 3.81Å; D86-H128 PolarHBondContact OD2-NE2 2.93Å; I87-H128 HydrophobicContact CD1-CB 3.81Å; I87-H128 HydrophobicContact CG1-CB 3.73Å; L124-H128 PolarHBondContact O-N 3.18Å; L124-H128 VanDerWaalsContact O-N 3.14Å; L124-H128 PolarHBondContact O-ND1 2.76Å; V125-H128 PolarHBondContact O-N 2.8Å; H128-L131 PolarHBondContact O-N 2.91Å; H128-L132 WeakPolarHBondContact O-CB 3.46Å; H128-L132 PolarHBondContact O-N 3.46Å |
| 129 | M | 94.4 | Very high | 93.1 | Very high | 84 Ų | 84 | 58.8 Ų | 58.8 | 41% | 0.414 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 175.1 | -70.9 | -59.3 | -62.6 | 0 | 0 | 111.1 | I87 V125 V126 H127 L131 L132 T133 | I87-M129 HydrophobicContact CD1-CG 4.05Å; I87-M129 HydrophobicContact CD1-SD 3.53Å; I87-M129 VanDerWaalsContact CD1-SD 3.53Å; V125-M129 HydrophobicContact CG1-CG 4.2Å; V125-M129 WeakPolarHBondContact O-CB 3.44Å; V125-M129 VanDerWaalsContact O-CG 3.29Å; V125-M129 WeakPolarHBondContact O-CG 3.3Å; V125-M129 PolarHBondContact O-N 3.04Å; V126-M129 PolarHBondContact O-N 2.97Å; H127-M129 PolarHBondContact O-N 3.49Å; M129-L131 PolarHBondContact O-N 3.43Å; M129-L132 PolarHBondContact O-N 3.36Å; M129-T133 HydrophobicContact CE-CG2 4.23Å; M129-T133 WeakPolarHBondContact O-CB 3.33Å; M129-T133 WeakPolarHBondContact O-CG2 3.29Å; M129-T133 PolarHBondContact O-N 2.78Å; M129-T133 PolarHBondContact O-OG1 2.97Å |
| 130 | V | 94.9 | Very high | 93.1 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 34% | 0.339 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 177.4 | 167.9 | 0 | 0 | 0 | 0 | 111.3 | V126 H127 L132 V134 F135 | V126-V130 HydrophobicContact CG1-CG2 4.13Å; V126-V130 WeakPolarHBondContact O-CB 3.21Å; V126-V130 VanDerWaalsContact O-CG2 3.27Å; V126-V130 WeakPolarHBondContact O-CG2 3.31Å; V126-V130 PolarHBondContact O-N 3.39Å; H127-V130 PolarHBondContact O-N 3.31Å; V130-L132 VanDerWaalsContact C-N 3.29Å; V130-L132 PolarHBondContact O-N 3.02Å; V130-V134 HydrophobicContact CG1-CB 4.24Å; V130-V134 HydrophobicContact CG1-CG2 4.39Å; V130-V134 WeakPolarHBondContact O-CA 3.43Å; V130-V134 VanDerWaalsContact O-CB 3.29Å; V130-V134 WeakPolarHBondContact O-CB 3.31Å; V130-V134 PolarHBondContact O-N 3.43Å; V130-F135 HydrophobicContact CG1-CD2 3.82Å; V130-F135 HydrophobicContact CG1-CE2 3.73Å; V130-F135 PolarHBondContact O-N 3.49Å |
| 131 | L | 94.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 53.9 Ų | 53.9 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -59.7 | -42.3 | 174.8 | -72.2 | -180 | 0 | 0 | 0 | 111.8 | M83 H127 H128 M129 F135 M136 | M83-L131 HydrophobicContact CE-CD1 3.73Å; M83-L131 HydrophobicContact SD-CB 4.22Å; M83-L131 HydrophobicContact SD-CD1 3.79Å; H127-L131 WeakPolarHBondContact NE2-CD1 3.37Å; H127-L131 WeakPolarHBondContact O-CG 3.45Å; H127-L131 PolarHBondContact O-N 3.33Å; H128-L131 PolarHBondContact O-N 2.91Å; M129-L131 PolarHBondContact O-N 3.43Å; L131-F135 HydrophobicContact CD2-CB 4.27Å; L131-F135 HydrophobicContact CD2-CD2 3.97Å; L131-F135 HydrophobicContact CD2-CG 4.05Å; L131-F135 WeakPolarHBondContact O-CB 3.49Å; L131-M136 WeakPolarHBondContact O-CB 3.16Å; L131-M136 PolarHBondContact O-N 2.9Å |
| 132 | L | 94.6 | Very high | 92.9 | Very high | 44 Ų | 44 | 56.2 Ų | 56.2 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -77.8 | -40 | -177.7 | -175.9 | 61.6 | 0 | 0 | 0 | 113.6 | A80 M83 A84 H128 M129 V130 M136 | A80-L132 HydrophobicContact CB-CD1 4.04Å; M83-L132 HydrophobicContact CB-CB 4.25Å; M83-L132 HydrophobicContact CB-CD1 4.34Å; A84-L132 HydrophobicContact CB-CD2 3.97Å; H128-L132 WeakPolarHBondContact O-CB 3.46Å; H128-L132 PolarHBondContact O-N 3.46Å; M129-L132 PolarHBondContact O-N 3.36Å; V130-L132 VanDerWaalsContact C-N 3.29Å; V130-L132 PolarHBondContact O-N 3.02Å; L132-M136 WeakPolarHBondContact O-CB 3.36Å |
| 133 | T | 94.3 | Very high | 92.6 | Very high | 81 Ų | 81 | 54.1 Ų | 54.1 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -99.8 | -18.4 | -171.6 | 65.6 | 0 | 0 | 0 | 0 | 114.1 | M129 P137 | M129-T133 HydrophobicContact CE-CG2 4.23Å; M129-T133 WeakPolarHBondContact O-CB 3.33Å; M129-T133 WeakPolarHBondContact O-CG2 3.29Å; M129-T133 PolarHBondContact O-N 2.78Å; M129-T133 PolarHBondContact O-OG1 2.97Å; T133-P137 WeakPolarHBondContact O-CG 3.07Å |
| 134 | V | 94.1 | Very high | 92.1 | Very high | 72 Ų | 72 | 56.8 Ų | 56.8 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | I | π-helix | trans | -115.1 | -60.6 | 179.6 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | V130 M136 P137 T138 | V130-V134 HydrophobicContact CG1-CB 4.24Å; V130-V134 HydrophobicContact CG1-CG2 4.39Å; V130-V134 WeakPolarHBondContact O-CA 3.43Å; V130-V134 VanDerWaalsContact O-CB 3.29Å; V130-V134 WeakPolarHBondContact O-CB 3.31Å; V130-V134 PolarHBondContact O-N 3.43Å; V134-M136 PolarHBondContact O-N 3.48Å; V134-P137 VanDerWaalsContact O-CD 3.27Å; V134-P137 WeakPolarHBondContact O-CD 3.37Å; V134-P137 WeakPolarHBondContact O-CG 3.3Å; V134-T138 WeakPolarHBondContact O-CB 3.41Å; V134-T138 PolarHBondContact O-N 3.45Å; V134-T138 PolarHBondContact O-OG1 3.1Å |
| 135 | F | 93.4 | Very high | 91.2 | Very high | 61 Ų | 61 | 57.1 Ų | 57.1 | 27% | 0.268 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -65 | -44.8 | -174.5 | -79.9 | -94.4 | 0 | 0 | 0 | 112.9 | V130 L131 T138 I139 I234 | V130-F135 HydrophobicContact CG1-CD2 3.82Å; V130-F135 HydrophobicContact CG1-CE2 3.73Å; V130-F135 PolarHBondContact O-N 3.49Å; L131-F135 HydrophobicContact CD2-CB 4.27Å; L131-F135 HydrophobicContact CD2-CD2 3.97Å; L131-F135 HydrophobicContact CD2-CG 4.05Å; L131-F135 WeakPolarHBondContact O-CB 3.49Å; F135-T138 PolarHBondContact O-N 3.34Å; F135-I139 HydrophobicContact CB-CD1 4.48Å; F135-I139 WeakPolarHBondContact O-CB 3.37Å; F135-I139 VanDerWaalsContact O-CG1 3.24Å; F135-I139 WeakPolarHBondContact O-CG1 3.34Å; F135-I139 PolarHBondContact O-N 3.08Å; F135-I234 HydrophobicContact CE1-CD1 3.68Å; F135-I234 HydrophobicContact CE1-CG1 4.23Å; F135-I234 HydrophobicContact CZ-CD1 3.62Å; F135-I234 HydrophobicContact CZ-CG1 3.66Å |
| 136 | M | 94.1 | Very high | 90.4 | Very high | 32 Ų | 32 | 61.2 Ų | 61.2 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.6 | -53.8 | -180 | 179.7 | -93.5 | -167.3 | 0 | 0 | 113 | V76 W77 A80 L131 L132 V134 T138 I139 L140 | V76-M136 HydrophobicContact CG1-CB 4.16Å; V76-M136 HydrophobicContact CG1-CG 3.55Å; W77-M136 HydrophobicContact CE3-CE 3.75Å; W77-M136 HydrophobicContact CH2-CE 3.9Å; W77-M136 HydrophobicContact CZ3-CE 3.4Å; W77-M136 VanDerWaalsContact CZ3-CE 3.4Å; A80-M136 HydrophobicContact CB-CE 4.1Å; A80-M136 HydrophobicContact CB-CG 4.34Å; L131-M136 WeakPolarHBondContact O-CB 3.16Å; L131-M136 PolarHBondContact O-N 2.9Å; L132-M136 WeakPolarHBondContact O-CB 3.36Å; V134-M136 PolarHBondContact O-N 3.48Å; M136-T138 VanDerWaalsContact C-N 3.34Å; M136-T138 PolarHBondContact O-N 2.99Å; M136-I139 PolarHBondContact O-N 3.23Å; M136-L140 HydrophobicContact CE-CD1 3.42Å; M136-L140 VanDerWaalsContact CE-CD1 3.42Å; M136-L140 HydrophobicContact CG-CD1 4Å; M136-L140 WeakPolarHBondContact O-CB 3.48Å; M136-L140 WeakPolarHBondContact O-CG 3.46Å; M136-L140 PolarHBondContact O-N 2.77Å; M136-L140 HydrophobicContact SD-CD1 3.77Å |
| 137 | P | 93.5 | Very high | 89.6 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.1 | -34.2 | 176.5 | 23.7 | -31.9 | 0 | 0 | 0 | 112.8 | T133 V134 I139 L140 F141 L142 | T133-P137 WeakPolarHBondContact O-CG 3.07Å; V134-P137 VanDerWaalsContact O-CD 3.27Å; V134-P137 WeakPolarHBondContact O-CD 3.37Å; V134-P137 WeakPolarHBondContact O-CG 3.3Å; P137-I139 PolarHBondContact O-N 3.31Å; P137-L140 PolarHBondContact O-N 3.03Å; P137-F141 HydrophobicContact CB-CD2 4.15Å; P137-F141 WeakPolarHBondContact O-CB 3.49Å; P137-F141 PolarHBondContact O-N 3.28Å; P137-L142 PolarHBondContact O-N 3.46Å |
| 138 | T | 91.9 | Very high | 89.3 | Confident | 45 Ų | 45 | 55.6 Ų | 55.6 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | I | π-helix | trans | -59.9 | -47.5 | 173.9 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | V134 F135 M136 L142 R143 L146 | V134-T138 WeakPolarHBondContact O-CB 3.41Å; V134-T138 PolarHBondContact O-N 3.45Å; V134-T138 PolarHBondContact O-OG1 3.1Å; F135-T138 PolarHBondContact O-N 3.34Å; M136-T138 VanDerWaalsContact C-N 3.34Å; M136-T138 PolarHBondContact O-N 2.99Å; T138-L142 CarbonylContact O-C 3.55Å; T138-L142 WeakPolarHBondContact O-CA 3.37Å; T138-L142 PolarHBondContact O-N 3.21Å; T138-R143 WeakPolarHBondContact O-CA 3.35Å; T138-R143 WeakPolarHBondContact O-CB 3.47Å; T138-R143 PolarHBondContact O-N 3.34Å; T138-L146 HydrophobicContact CG2-CD1 3.89Å |
| 139 | I | 93.3 | Very high | 89.3 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -65.6 | -43.8 | 178.4 | -67.4 | 164 | 0 | 0 | 0 | 111.1 | T72 V76 F135 M136 P137 R143 I152 | T72-I139 HydrophobicContact CG2-CG2 3.98Å; V76-I139 HydrophobicContact CG2-CB 4.36Å; V76-I139 HydrophobicContact CG2-CD1 4.18Å; V76-I139 HydrophobicContact CG2-CG2 3.74Å; F135-I139 HydrophobicContact CB-CD1 4.48Å; F135-I139 WeakPolarHBondContact O-CB 3.37Å; F135-I139 VanDerWaalsContact O-CG1 3.24Å; F135-I139 WeakPolarHBondContact O-CG1 3.34Å; F135-I139 PolarHBondContact O-N 3.08Å; M136-I139 PolarHBondContact O-N 3.23Å; P137-I139 PolarHBondContact O-N 3.31Å; I139-R143 WeakPolarHBondContact O-CD 3.29Å; I139-R143 WeakPolarHBondContact O-CG 3.36Å; I139-R143 PolarHBondContact O-NE 2.8Å; I139-I152 HydrophobicContact CB-CD1 4.49Å; I139-I152 HydrophobicContact CD1-CG2 4Å; I139-I152 HydrophobicContact CG1-CD1 4.1Å; I139-I152 HydrophobicContact CG1-CG1 4.4Å; I139-I152 HydrophobicContact CG1-CG2 4.42Å; I139-I152 HydrophobicContact CG2-CD1 3.88Å |
| 140 | L | 92 | Very high | 89.4 | Confident | 24 Ų | 24 | 51 Ų | 51 | 13% | 0.126 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -77.9 | -32.4 | -173.1 | -70.1 | 175.6 | 0 | 0 | 0 | 114 | N73 V76 W77 M136 P137 | N73-L140 HydrophobicContact CB-CD2 4.2Å; V76-L140 HydrophobicContact CB-CD2 4.1Å; V76-L140 HydrophobicContact CB-CG 4.39Å; V76-L140 HydrophobicContact CG1-CD1 3.86Å; V76-L140 HydrophobicContact CG1-CD2 4.02Å; V76-L140 HydrophobicContact CG1-CG 3.76Å; W77-L140 HydrophobicContact CD2-CD1 3.88Å; W77-L140 HydrophobicContact CE3-CD1 4.27Å; W77-L140 HydrophobicContact CG-CD1 4.43Å; W77-L140 HydrophobicContact CG-CD2 4.49Å; W77-L140 HydrophobicContact CH2-CD1 4.03Å; W77-L140 HydrophobicContact CZ2-CD1 3.61Å; W77-L140 HydrophobicContact CZ3-CD1 4.34Å; M136-L140 HydrophobicContact CE-CD1 3.42Å; M136-L140 VanDerWaalsContact CE-CD1 3.42Å; M136-L140 HydrophobicContact CG-CD1 4Å; M136-L140 WeakPolarHBondContact O-CB 3.48Å; M136-L140 WeakPolarHBondContact O-CG 3.46Å; M136-L140 PolarHBondContact O-N 2.77Å; M136-L140 HydrophobicContact SD-CD1 3.77Å; P137-L140 PolarHBondContact O-N 3.03Å |
| 141 | F | 91 | Very high | 89.4 | Confident | 131 Ų | 131 | 50.1 Ų | 50.1 | 58% | 0.575 | 29% | 0.285 | S | S | * | . | I | π-helix | trans | -127.5 | -29.5 | -166.8 | -51.4 | -65.4 | 0 | 0 | 0 | 114.2 | W77 P137 | W77-F141 HydrophobicContact CH2-CZ 4.17Å; W77-F141 AromaticContact CZ2-CZ 3.87Å; W77-F141 HydrophobicContact CZ2-CZ 3.87Å; P137-F141 HydrophobicContact CB-CD2 4.15Å; P137-F141 WeakPolarHBondContact O-CB 3.49Å; P137-F141 PolarHBondContact O-N 3.28Å |
| 142 | L | 86.2 | Confident | 89.5 | Confident | 109 Ų | 109 | 49.1 Ų | 49.1 | 57% | 0.571 | 28% | 0.28 | S | S | * | . | I | π-helix | trans | -112.5 | -0.5 | -170.2 | -49.1 | 174.7 | 0 | 0 | 0 | 113.9 | P137 T138 T144 L146 | P137-L142 PolarHBondContact O-N 3.46Å; T138-L142 CarbonylContact O-C 3.55Å; T138-L142 WeakPolarHBondContact O-CA 3.37Å; T138-L142 PolarHBondContact O-N 3.21Å; L142-T144 PolarHBondContact O-N 2.96Å; L142-L146 WeakPolarHBondContact O-CD1 3.49Å |
| 143 | R | 86.9 | Confident | 89.6 | Confident | 23 Ų | 23 | 47 Ų | 47 | 9% | 0.087 | 27% | 0.269 | C | S | . | . | trans | -71.8 | -9.9 | -172 | 68.3 | 173.1 | 177.3 | 176.7 | 14 | 114.7 | R68 N73 T138 I139 G145 L146 D149 | R68-R143 VanDerWaalsContact NH1-CD 3.27Å; R68-R143 PolarHBondContact NH2-O 3.36Å; N73-R143 VanDerWaalsContact OD1-CZ 3.23Å; N73-R143 PolarHBondContact OD1-NH1 3.22Å; N73-R143 PolarHBondContact OD1-NH2 3.02Å; N73-R143 VanDerWaalsContact OD1-NH2 3.15Å; T138-R143 WeakPolarHBondContact O-CA 3.35Å; T138-R143 WeakPolarHBondContact O-CB 3.47Å; T138-R143 PolarHBondContact O-N 3.34Å; I139-R143 WeakPolarHBondContact O-CD 3.29Å; I139-R143 WeakPolarHBondContact O-CG 3.36Å; I139-R143 PolarHBondContact O-NE 2.8Å; R143-G145 PolarHBondContact O-N 2.93Å; R143-L146 PolarHBondContact O-N 2.97Å; R143-L146 VanDerWaalsContact O-N 3.14Å; R143-D149 IonicContact CZ-OD1 3.11Å; R143-D149 IonicContact CZ-OD2 3.29Å; R143-D149 VanDerWaalsContact CZ-OD2 3.29Å; R143-D149 IonicContact NE-OD1 3.63Å; R143-D149 IonicContact NH1-OD1 2.81Å; R143-D149 PolarHBondContact NH1-OD1 2.85Å; R143-D149 IonicContact NH1-OD2 2.81Å; R143-D149 PolarHBondContact NH1-OD2 3.48Å; R143-D149 IonicContact NH2-OD1 3.52Å; R143-D149 IonicContact NH2-OD2 3.12Å; R143-D149 PolarHBondContact NH2-OD2 3.45Å; R143-D149 VanDerWaalsContact NH2-OD2 3.12Å | ||
| 144 | T | 79.2 | Confident | 89.7 | Confident | 122 Ų | 122 | 43.1 Ų | 43.1 | 75% | 0.748 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 118 | 177 | -55 | 0 | 0 | 0 | 0 | 109.5 | L142 L146 | L142-T144 PolarHBondContact O-N 2.96Å; T144-L146 VanDerWaalsContact C-N 3.33Å; T144-L146 PolarHBondContact O-N 3.11Å |
| 145 | G | 72.6 | Confident | 89.8 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -4.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | R143 | R143-G145 PolarHBondContact O-N 2.93Š|
| 146 | L | 74.8 | Confident | 90 | Very high | 97 Ų | 97 | 40.6 Ų | 40.6 | 51% | 0.508 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -95.5 | -1 | 177.1 | -62.5 | -179.6 | 0 | 0 | 0 | 113.8 | T138 L142 R143 T144 | T138-L146 HydrophobicContact CG2-CD1 3.89Å; L142-L146 WeakPolarHBondContact O-CD1 3.49Å; R143-L146 PolarHBondContact O-N 2.97Å; R143-L146 VanDerWaalsContact O-N 3.14Å; T144-L146 VanDerWaalsContact C-N 3.33Å; T144-L146 PolarHBondContact O-N 3.11Å |
| 147 | G | 78.4 | Confident | 90.1 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | trans | 129.6 | 162.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M65 R68 | M65-G147 CarbonylContact O-C 3.59Å; M65-G147 VanDerWaalsContact O-C 3.3Å; R68-G147 PolarHBondContact NH1-O 3.21Å; R68-G147 PolarHBondContact NH2-O 2.85Å | ||
| 148 | G | 87.3 | Confident | 90.2 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | trans | -84.2 | 171.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | V64 M65 F150 F151 | V64-G148 VanDerWaalsContact O-CA 3.23Å; V64-G148 WeakPolarHBondContact O-CA 3.35Å; V64-G148 PolarHBondContact O-N 3.32Å; M65-G148 VanDerWaalsContact O-CA 3.28Å; M65-G148 WeakPolarHBondContact O-CA 3.41Å; M65-G148 PolarHBondContact O-N 3.43Å; G148-F150 PolarHBondContact O-N 2.91Å; G148-F151 PolarHBondContact O-N 3.36Å | ||
| 149 | D | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70 | -18 | -176.5 | -75.9 | 20.6 | 0 | 0 | 0 | 112.6 | I57 D67 R68 H69 T72 R143 F151 I152 G153 | I57-D149 HydrophobicContact CG2-CB 3.87Å; I57-D149 WeakPolarHBondContact CG2-O 3.37Å; D67-D149 PolarHBondContact O-N 3.26Å; R68-D149 WeakPolarHBondContact CD-OD1 3.47Å; R68-D149 IonicContact CZ-OD1 3.81Å; R68-D149 IonicContact NE-OD1 3.94Å; R68-D149 IonicContact NH1-OD1 2.89Å; R68-D149 PolarHBondContact NH1-OD1 3.33Å; H69-D149 HydrophobicContact CB-CB 4.22Å; H69-D149 PolarHBondContact N-OD2 3.45Å; T72-D149 WeakPolarHBondContact CB-OD2 3.48Å; T72-D149 PolarHBondContact OG1-OD2 3.45Å; R143-D149 IonicContact CZ-OD1 3.11Å; R143-D149 IonicContact CZ-OD2 3.29Å; R143-D149 VanDerWaalsContact CZ-OD2 3.29Å; R143-D149 IonicContact NE-OD1 3.63Å; R143-D149 IonicContact NH1-OD1 2.81Å; R143-D149 PolarHBondContact NH1-OD1 2.85Å; R143-D149 IonicContact NH1-OD2 2.81Å; R143-D149 PolarHBondContact NH1-OD2 3.48Å; R143-D149 IonicContact NH2-OD1 3.52Å; R143-D149 IonicContact NH2-OD2 3.12Å; R143-D149 PolarHBondContact NH2-OD2 3.45Å; R143-D149 VanDerWaalsContact NH2-OD2 3.12Å; D149-F151 VanDerWaalsContact C-N 3.31Å; D149-F151 PolarHBondContact O-N 3.3Å; D149-I152 PolarHBondContact O-N 2.76Å; D149-I152 VanDerWaalsContact O-N 3.12Å; D149-G153 PolarHBondContact O-N 3.12Å |
| 150 | F | 95.6 | Very high | 90.7 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.022 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -48.3 | -49.4 | 169.7 | 172 | -97.3 | 0 | 0 | 0 | 112.7 | A58 V64 G148 I152 G153 C154 Y203 M204 V207 | A58-F150 HydrophobicContact CB-CD2 4.15Å; A58-F150 HydrophobicContact CB-CE2 4.23Å; V64-F150 HydrophobicContact CB-CB 3.92Å; V64-F150 HydrophobicContact CB-CD1 3.63Å; V64-F150 HydrophobicContact CB-CE1 4.31Å; V64-F150 HydrophobicContact CB-CG 3.79Å; V64-F150 HydrophobicContact CG1-CB 4.12Å; V64-F150 HydrophobicContact CG1-CD1 3.65Å; V64-F150 HydrophobicContact CG1-CD2 3.94Å; V64-F150 HydrophobicContact CG1-CE1 4.01Å; V64-F150 HydrophobicContact CG1-CE2 4.28Å; V64-F150 HydrophobicContact CG1-CG 3.61Å; V64-F150 HydrophobicContact CG1-CZ 4.32Å; G148-F150 PolarHBondContact O-N 2.91Å; F150-I152 VanDerWaalsContact C-N 3.34Å; F150-I152 PolarHBondContact O-N 2.74Å; F150-G153 PolarHBondContact O-N 3.18Å; F150-C154 PolarHBondContact O-N 3.36Å; F150-C154 PolarHBondContact O-SG 3.25Å; F150-C154 VanDerWaalsContact O-SG 3.32Å; F150-Y203 AromaticContact CZ-CE1 3.87Å; F150-Y203 HydrophobicContact CZ-CE1 3.87Å; F150-M204 HydrophobicContact CE1-CG 4.43Å; F150-V207 HydrophobicContact CE1-CB 4.27Å; F150-V207 HydrophobicContact CE1-CG1 4.26Å; F150-V207 HydrophobicContact CE2-CG1 4.3Å; F150-V207 HydrophobicContact CZ-CB 3.94Å; F150-V207 HydrophobicContact CZ-CG1 3.82Å; F150-V207 HydrophobicContact CZ-CG2 4.02Å |
| 151 | F | 95.1 | Very high | 90.9 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.3 | -35.8 | -178.6 | -61.6 | -73.1 | 0 | 0 | 0 | 111.8 | V64 M65 G148 D149 G153 C154 F155 M204 Y208 | V64-F151 HydrophobicContact CB-CE2 4.21Å; V64-F151 HydrophobicContact CB-CZ 4.23Å; V64-F151 HydrophobicContact CG2-CE2 4.15Å; V64-F151 HydrophobicContact CG2-CZ 3.93Å; V64-F151 WeakPolarHBondContact O-CD2 3.46Å; V64-F151 WeakPolarHBondContact O-CE2 3.43Å; M65-F151 HydrophobicContact SD-CE2 3.58Å; M65-F151 VanDerWaalsContact SD-CE2 3.58Å; M65-F151 HydrophobicContact SD-CZ 4.06Å; G148-F151 PolarHBondContact O-N 3.36Å; D149-F151 VanDerWaalsContact C-N 3.31Å; D149-F151 PolarHBondContact O-N 3.3Å; F151-G153 VanDerWaalsContact C-N 3.32Å; F151-C154 WeakPolarHBondContact O-CB 3.35Å; F151-C154 PolarHBondContact O-N 2.98Å; F151-F155 HydrophobicContact CB-CE2 4.42Å; F151-F155 WeakPolarHBondContact O-CD2 3.46Å; F151-F155 WeakPolarHBondContact O-CG 3.44Å; F151-F155 PolarHBondContact O-N 2.83Å; F151-M204 HydrophobicContact CB-SD 4.44Å; F151-M204 HydrophobicContact CD1-CB 4Å; F151-M204 HydrophobicContact CD1-CG 3.96Å; F151-M204 HydrophobicContact CD1-SD 3.74Å; F151-M204 HydrophobicContact CE1-CB 3.96Å; F151-M204 HydrophobicContact CE1-CG 4.38Å; F151-Y208 HydrophobicContact CZ-CD2 4.28Å |
| 152 | I | 95.9 | Very high | 91.2 | Very high | 15 Ų | 15 | 35.9 Ų | 35.9 | 8% | 0.077 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 174.9 | -56 | 169.6 | 0 | 0 | 0 | 109.9 | T72 I139 D149 F150 C154 F155 F156 | T72-I152 HydrophobicContact CG2-CB 4.01Å; T72-I152 HydrophobicContact CG2-CD1 3.82Å; T72-I152 HydrophobicContact CG2-CG2 3.51Å; I139-I152 HydrophobicContact CB-CD1 4.49Å; I139-I152 HydrophobicContact CD1-CG2 4Å; I139-I152 HydrophobicContact CG1-CD1 4.1Å; I139-I152 HydrophobicContact CG1-CG1 4.4Å; I139-I152 HydrophobicContact CG1-CG2 4.42Å; I139-I152 HydrophobicContact CG2-CD1 3.88Å; D149-I152 PolarHBondContact O-N 2.76Å; D149-I152 VanDerWaalsContact O-N 3.12Å; F150-I152 VanDerWaalsContact C-N 3.34Å; F150-I152 PolarHBondContact O-N 2.74Å; I152-C154 VanDerWaalsContact C-N 3.34Å; I152-C154 PolarHBondContact O-N 2.77Å; I152-F155 PolarHBondContact O-N 3.47Å; I152-F156 HydrophobicContact CG2-CD2 4.41Å; I152-F156 HydrophobicContact CG2-CE1 4.18Å; I152-F156 HydrophobicContact CG2-CE2 3.87Å; I152-F156 HydrophobicContact CG2-CZ 3.73Å; I152-F156 PolarHBondContact O-N 3.11Å |
| 153 | G | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G54 D149 F150 F151 F155 F156 M157 | G54-G153 CarbonylContact C-O 3.3Å; G54-G153 WeakPolarHBondContact CA-O 3.21Å; G54-G153 WeakPolarHBondContact O-CA 3.41Å; D149-G153 PolarHBondContact O-N 3.12Å; F150-G153 PolarHBondContact O-N 3.18Å; F151-G153 VanDerWaalsContact C-N 3.32Å; G153-F155 PolarHBondContact O-N 3.04Å; G153-F156 PolarHBondContact O-N 2.97Å; G153-M157 WeakPolarHBondContact O-CG 3.24Å; G153-M157 PolarHBondContact O-N 3.19Å |
| 154 | C | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.1 | -48.8 | 172.2 | -69.6 | 0 | 0 | 0 | 0 | 111.3 | F150 F151 I152 F156 M157 A158 L200 M204 | F150-C154 PolarHBondContact O-N 3.36Å; F150-C154 PolarHBondContact O-SG 3.25Å; F150-C154 VanDerWaalsContact O-SG 3.32Å; F151-C154 WeakPolarHBondContact O-CB 3.35Å; F151-C154 PolarHBondContact O-N 2.98Å; I152-C154 VanDerWaalsContact C-N 3.34Å; I152-C154 PolarHBondContact O-N 2.77Å; C154-F156 VanDerWaalsContact C-N 3.29Å; C154-F156 PolarHBondContact O-N 3.15Å; C154-M157 WeakPolarHBondContact O-CB 3.21Å; C154-M157 PolarHBondContact O-N 2.64Å; C154-A158 PolarHBondContact O-N 2.88Å; C154-L200 HydrophobicContact CB-CD1 3.82Å; C154-L200 HydrophobicContact CB-CD2 4.12Å; C154-L200 HydrophobicContact CB-CG 4.12Å; C154-L200 WeakPolarHBondContact O-CD2 3.39Å; C154-M204 HydrophobicContact CB-CG 3.92Å; C154-M204 HydrophobicContact CB-SD 3.62Å |
| 155 | F | 96.1 | Very high | 93 | Very high | 51 Ų | 51 | 29.1 Ų | 29.1 | 22% | 0.224 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -33.4 | 178.3 | -65.8 | -45.2 | 0 | 0 | 0 | 113.2 | F151 I152 G153 A158 F201 M204 I234 | F151-F155 HydrophobicContact CB-CE2 4.42Å; F151-F155 WeakPolarHBondContact O-CD2 3.46Å; F151-F155 WeakPolarHBondContact O-CG 3.44Å; F151-F155 PolarHBondContact O-N 2.83Å; I152-F155 PolarHBondContact O-N 3.47Å; G153-F155 PolarHBondContact O-N 3.04Å; F155-A158 WeakPolarHBondContact O-CB 3.37Å; F155-A158 PolarHBondContact O-N 3.4Å; F155-F201 HydrophobicContact CE1-CE1 4.06Å; F155-F201 HydrophobicContact CE1-CZ 4.07Å; F155-M204 HydrophobicContact CE1-CE 3.7Å; F155-M204 HydrophobicContact CE1-SD 4.12Å; F155-M204 HydrophobicContact CZ-CE 4.07Å; F155-M204 HydrophobicContact CZ-SD 4.26Å; F155-I234 HydrophobicContact CE1-CD1 4.07Å; F155-I234 HydrophobicContact CE1-CG2 4.36Å; F155-I234 HydrophobicContact CE2-CD1 4.29Å; F155-I234 HydrophobicContact CZ-CD1 3.78Å |
| 156 | F | 97.6 | Very high | 94.1 | Very high | 28 Ų | 28 | 26 Ų | 26 | 12% | 0.123 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.3 | -34.7 | 171.8 | -66.5 | -24.2 | 0 | 0 | 0 | 113 | A50 V53 I57 T72 F75 V76 I152 G153 C154 A158 E159 | A50-F156 HydrophobicContact CB-CB 4.38Å; A50-F156 WeakPolarHBondContact O-CB 3.34Å; V53-F156 HydrophobicContact CG1-CD2 4.17Å; V53-F156 HydrophobicContact CG1-CE2 4.36Å; I57-F156 HydrophobicContact CD1-CD2 4.21Å; I57-F156 HydrophobicContact CD1-CE2 4.22Å; T72-F156 HydrophobicContact CG2-CE2 4.44Å; F75-F156 HydrophobicContact CD1-CD2 4.11Å; F75-F156 HydrophobicContact CD1-CE1 4.27Å; F75-F156 AromaticContact CD1-CE2 3.74Å; F75-F156 HydrophobicContact CD1-CE2 3.74Å; F75-F156 AromaticContact CD1-CZ 3.84Å; F75-F156 HydrophobicContact CD1-CZ 3.84Å; V76-F156 HydrophobicContact CG2-CE1 4.45Å; V76-F156 HydrophobicContact CG2-CZ 3.71Å; I152-F156 HydrophobicContact CG2-CD2 4.41Å; I152-F156 HydrophobicContact CG2-CE1 4.18Å; I152-F156 HydrophobicContact CG2-CE2 3.87Å; I152-F156 HydrophobicContact CG2-CZ 3.73Å; I152-F156 PolarHBondContact O-N 3.11Å; G153-F156 PolarHBondContact O-N 2.97Å; C154-F156 VanDerWaalsContact C-N 3.29Å; C154-F156 PolarHBondContact O-N 3.15Å; F156-A158 PolarHBondContact O-N 3.41Å; F156-E159 WeakPolarHBondContact O-CB 3.45Å; F156-E159 PolarHBondContact O-N 3.27Å; F156-E159 VanDerWaalsContact O-N 3.1Å |
| 157 | M | 97 | Very high | 95.1 | Very high | 49 Ų | 49 | 24.7 Ų | 24.7 | 24% | 0.241 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.8 | -20.8 | 174.2 | -67.3 | 174.1 | 64.2 | 0 | 0 | 113 | F55 A58 G153 C154 E159 F160 | F55-M157 HydrophobicContact CB-SD 4.34Å; F55-M157 HydrophobicContact CD2-CE 4.21Å; A58-M157 HydrophobicContact CB-SD 4.24Å; G153-M157 WeakPolarHBondContact O-CG 3.24Å; G153-M157 PolarHBondContact O-N 3.19Å; C154-M157 WeakPolarHBondContact O-CB 3.21Å; C154-M157 PolarHBondContact O-N 2.64Å; M157-E159 PolarHBondContact O-N 3.01Å; M157-F160 VanDerWaalsContact O-CB 3.3Å; M157-F160 WeakPolarHBondContact O-CB 3.08Å; M157-F160 PolarHBondContact O-N 3.23Å; M157-F160 VanDerWaalsContact O-N 3.08Å |
| 158 | A | 95.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -60.4 | -23.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | C154 F155 F156 F160 S161 C196 R197 L200 | C154-A158 PolarHBondContact O-N 2.88Å; F155-A158 WeakPolarHBondContact O-CB 3.37Å; F155-A158 PolarHBondContact O-N 3.4Å; F156-A158 PolarHBondContact O-N 3.41Å; A158-F160 PolarHBondContact O-N 2.82Å; A158-S161 PolarHBondContact O-OG 2.86Å; A158-C196 WeakPolarHBondContact CA-O 3.26Å; A158-R197 HydrophobicContact CB-CG 4.12Å; A158-R197 WeakPolarHBondContact O-CG 3.34Å; A158-R197 PolarHBondContact O-NE 2.73Å; A158-R197 PolarHBondContact O-NH2 3.16Å; A158-L200 HydrophobicContact CB-CD2 4.23Å |
| 159 | E | 96.7 | Very high | 96 | Very high | 29 Ų | 29 | 29.7 Ų | 29.7 | 14% | 0.136 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -71.3 | -11 | 176.4 | -70.6 | -55.6 | 126.7 | 0 | 0 | 113.7 | A47 A50 F156 M157 S161 T162 P163 R197 | A47-E159 HydrophobicContact CB-CB 3.93Å; A47-E159 WeakPolarHBondContact CB-O 3.31Å; A50-E159 HydrophobicContact CB-CB 4.07Å; A50-E159 HydrophobicContact CB-CG 4.21Å; F156-E159 WeakPolarHBondContact O-CB 3.45Å; F156-E159 PolarHBondContact O-N 3.27Å; F156-E159 VanDerWaalsContact O-N 3.1Å; M157-E159 PolarHBondContact O-N 3.01Å; E159-S161 PolarHBondContact O-N 3.04Å; E159-T162 VanDerWaalsContact O-CB 3.25Å; E159-T162 WeakPolarHBondContact O-CB 3.48Å; E159-T162 PolarHBondContact O-N 2.88Å; E159-T162 PolarHBondContact O-OG1 3.12Å; E159-T162 PolarHBondContact OE2-OG1 3.01Å; E159-P163 WeakPolarHBondContact O-CD 3.49Å; E159-R197 IonicContact OE1-CZ 3.31Å; E159-R197 IonicContact OE1-NH2 3.96Å; E159-R197 PolarHBondContact OE1-NH2 3.28Å; E159-R197 IonicContact OE2-NH2 3.27Å |
| 160 | F | 97.7 | Very high | 95.9 | Very high | 83 Ų | 83 | 30.7 Ų | 30.7 | 36% | 0.364 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -56.8 | -27.7 | 179.3 | -178.5 | -111.5 | 0 | 0 | 0 | 114.1 | T51 M157 A158 T162 P163 F164 C196 | T51-F160 HydrophobicContact CG2-CB 3.82Å; T51-F160 HydrophobicContact CG2-CD2 3.9Å; T51-F160 HydrophobicContact CG2-CG 4.24Å; T51-F160 VanDerWaalsContact OG1-CA 3.29Å; T51-F160 WeakPolarHBondContact OG1-CA 3.39Å; T51-F160 PolarHBondContact OG1-N 3.2Å; T51-F160 VanDerWaalsContact OG1-N 3.13Å; M157-F160 VanDerWaalsContact O-CB 3.3Å; M157-F160 WeakPolarHBondContact O-CB 3.08Å; M157-F160 PolarHBondContact O-N 3.23Å; M157-F160 VanDerWaalsContact O-N 3.08Å; A158-F160 PolarHBondContact O-N 2.82Å; F160-T162 VanDerWaalsContact C-N 3.32Å; F160-P163 WeakPolarHBondContact O-CD 3.25Å; F160-F164 HydrophobicContact CD1-CE2 4.08Å; F160-F164 AromaticContact CE1-CE2 3.61Å; F160-F164 HydrophobicContact CE1-CE2 3.61Å; F160-F164 HydrophobicContact CE1-CZ 4.19Å; F160-F164 HydrophobicContact CE2-CE2 4.1Å; F160-F164 HydrophobicContact CE2-CZ 4.37Å; F160-F164 AromaticContact CZ-CE2 3.63Å; F160-F164 HydrophobicContact CZ-CE2 3.63Å; F160-F164 AromaticContact CZ-CZ 3.84Å; F160-F164 HydrophobicContact CZ-CZ 3.84Å; F160-F164 WeakPolarHBondContact O-CD2 3.36Å; F160-F164 WeakPolarHBondContact O-CE2 3.35Å; F160-C196 HydrophobicContact CB-CB 4.28Å; F160-C196 VanDerWaalsContact CD1-SG 3.52Å |
| 161 | S | 96.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -73.5 | -23.8 | 176.8 | 63.6 | 0 | 0 | 0 | 0 | 113.4 | A158 E159 F164 V165 S192 R197 | A158-S161 PolarHBondContact O-OG 2.86Å; E159-S161 PolarHBondContact O-N 3.04Å; S161-F164 PolarHBondContact O-N 3.18Å; S161-V165 WeakPolarHBondContact O-CG2 3.19Å; S161-V165 PolarHBondContact O-N 2.93Å; S161-V165 VanDerWaalsContact O-N 3.09Å; S161-S192 WeakPolarHBondContact CA-OG 3.21Å; S161-R197 WeakPolarHBondContact OG-CD 3.12Å; S161-R197 PolarHBondContact OG-NE 3.41Å |
| 162 | T | 96.4 | Very high | 95.5 | Very high | 17 Ų | 17 | 31.7 Ų | 31.7 | 10% | 0.104 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | -171.2 | -59.4 | 0 | 0 | 0 | 0 | 113 | S43 A47 E159 F160 F164 V165 S166 R197 | S43-T162 WeakPolarHBondContact OG-CG2 3.4Å; A47-T162 HydrophobicContact CB-CG2 3.91Å; E159-T162 VanDerWaalsContact O-CB 3.25Å; E159-T162 WeakPolarHBondContact O-CB 3.48Å; E159-T162 PolarHBondContact O-N 2.88Å; E159-T162 PolarHBondContact O-OG1 3.12Å; E159-T162 PolarHBondContact OE2-OG1 3.01Å; F160-T162 VanDerWaalsContact C-N 3.32Å; T162-F164 VanDerWaalsContact C-N 3.3Å; T162-F164 PolarHBondContact O-N 3.21Å; T162-V165 PolarHBondContact O-N 3.43Å; T162-S166 WeakPolarHBondContact O-CB 3.42Å; T162-S166 PolarHBondContact O-N 3.11Å; T162-S166 PolarHBondContact O-OG 3.39Å; T162-R197 PolarHBondContact OG1-NH2 2.86Å |
| 163 | P | 97.5 | Very high | 95.1 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 17% | 0.169 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55 | -41.2 | 172.9 | -27.9 | 36 | 0 | 0 | 0 | 113.6 | A47 E159 F160 S166 L167 | A47-P163 HydrophobicContact CB-CG 4.12Å; E159-P163 WeakPolarHBondContact O-CD 3.49Å; F160-P163 WeakPolarHBondContact O-CD 3.25Å; P163-S166 PolarHBondContact O-N 3.29Å; P163-L167 VanDerWaalsContact O-CB 3.27Å; P163-L167 WeakPolarHBondContact O-CB 3.47Å; P163-L167 PolarHBondContact O-N 3.45Å |
| 164 | F | 97.2 | Very high | 94.6 | Very high | 41 Ų | 41 | 36.2 Ų | 36.2 | 18% | 0.18 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.1 | -38 | 178.7 | -55.3 | -71.7 | 0 | 0 | 0 | 112.1 | F160 S161 T162 S166 G168 N185 M188 V189 S192 | F160-F164 HydrophobicContact CD1-CE2 4.08Å; F160-F164 AromaticContact CE1-CE2 3.61Å; F160-F164 HydrophobicContact CE1-CE2 3.61Å; F160-F164 HydrophobicContact CE1-CZ 4.19Å; F160-F164 HydrophobicContact CE2-CE2 4.1Å; F160-F164 HydrophobicContact CE2-CZ 4.37Å; F160-F164 AromaticContact CZ-CE2 3.63Å; F160-F164 HydrophobicContact CZ-CE2 3.63Å; F160-F164 AromaticContact CZ-CZ 3.84Å; F160-F164 HydrophobicContact CZ-CZ 3.84Å; F160-F164 WeakPolarHBondContact O-CD2 3.36Å; F160-F164 WeakPolarHBondContact O-CE2 3.35Å; S161-F164 PolarHBondContact O-N 3.18Å; T162-F164 VanDerWaalsContact C-N 3.3Å; T162-F164 PolarHBondContact O-N 3.21Å; F164-S166 VanDerWaalsContact C-N 3.34Å; F164-G168 PolarHBondContact O-N 3Å; F164-N185 PolarHBondContact O-ND2 2.96Å; F164-N185 PolarHBondContact O-OD1 2.89Å; F164-M188 HydrophobicContact CD1-CB 3.76Å; F164-M188 HydrophobicContact CE1-CB 4.13Å; F164-M188 HydrophobicContact CE1-CE 3.87Å; F164-M188 HydrophobicContact CG-CB 4.16Å; F164-M188 HydrophobicContact CZ-CE 3.9Å; F164-V189 HydrophobicContact CB-CG2 3.59Å; F164-V189 VanDerWaalsContact O-CG2 3.29Å; F164-V189 WeakPolarHBondContact O-CG2 3.22Å; F164-S192 WeakPolarHBondContact CD2-OG 3.22Å |
| 165 | V | 95.4 | Very high | 94.2 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 28% | 0.279 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 175.2 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | S161 T162 G168 K169 V189 | S161-V165 WeakPolarHBondContact O-CG2 3.19Å; S161-V165 PolarHBondContact O-N 2.93Å; S161-V165 VanDerWaalsContact O-N 3.09Å; T162-V165 PolarHBondContact O-N 3.43Å; V165-G168 PolarHBondContact O-N 3.04Å; V165-K169 PolarHBondContact O-N 2.92Å; V165-V189 HydrophobicContact CG2-CG1 3.87Å; V165-V189 HydrophobicContact CG2-CG2 4.23Å |
| 166 | S | 96.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.1 | -46.9 | 177.3 | -77 | 0 | 0 | 0 | 0 | 112.1 | R40 S44 T162 P163 F164 G168 K169 V170 | R40-S166 WeakPolarHBondContact CD-OG 3.29Å; S44-S166 WeakPolarHBondContact OG-CB 3.4Å; T162-S166 WeakPolarHBondContact O-CB 3.42Å; T162-S166 PolarHBondContact O-N 3.11Å; T162-S166 PolarHBondContact O-OG 3.39Å; P163-S166 PolarHBondContact O-N 3.29Å; F164-S166 VanDerWaalsContact C-N 3.34Å; S166-G168 VanDerWaalsContact C-N 3.27Å; S166-G168 PolarHBondContact O-N 3.01Å; S166-K169 WeakPolarHBondContact O-CB 3.37Å; S166-K169 PolarHBondContact O-N 3.33Å; S166-V170 WeakPolarHBondContact O-CG2 3.4Å; S166-V170 PolarHBondContact O-N 3.27Å |
| 167 | L | 95.1 | Very high | 93.3 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 37% | 0.372 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.4 | -41.8 | 175.5 | 179.7 | 57.6 | 0 | 0 | 0 | 111.4 | P163 K169 V170 L171 N185 | P163-L167 VanDerWaalsContact O-CB 3.27Å; P163-L167 WeakPolarHBondContact O-CB 3.47Å; P163-L167 PolarHBondContact O-N 3.45Å; L167-K169 PolarHBondContact O-N 3.43Å; L167-V170 PolarHBondContact O-N 3.43Å; L167-V170 VanDerWaalsContact O-N 3.14Å; L167-L171 HydrophobicContact CD1-CD1 4.34Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 4.03Å; L167-L171 HydrophobicContact CG-CD1 4.08Å; L167-L171 HydrophobicContact CG-CG 4.26Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.28Å; L167-L171 PolarHBondContact O-N 3.45Å; L167-N185 WeakPolarHBondContact CD2-OD1 3.47Å |
| 168 | G | 93.4 | Very high | 92.7 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.5 | -34.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F164 V165 S166 I172 H182 N185 | F164-G168 PolarHBondContact O-N 3Å; V165-G168 PolarHBondContact O-N 3.04Å; S166-G168 VanDerWaalsContact C-N 3.27Å; S166-G168 PolarHBondContact O-N 3.01Å; G168-I172 WeakPolarHBondContact O-CD1 3.37Å; G168-I172 WeakPolarHBondContact O-CG1 3.28Å; G168-I172 PolarHBondContact O-N 3.22Å; G168-H182 PolarHBondContact O-CE1 3.06Å; G168-N185 WeakPolarHBondContact CA-ND2 3.48Å; G168-N185 PolarHBondContact N-ND2 3.38Å |
| 169 | K | 91.5 | Very high | 92.5 | Very high | 105 Ų | 105 | 48.5 Ų | 48.5 | 46% | 0.457 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73.9 | -43.2 | 174.7 | -70.2 | -72.1 | -171.9 | 166.2 | 0 | 112 | V165 S166 L167 L171 I172 Q173 | V165-K169 PolarHBondContact O-N 2.92Å; S166-K169 WeakPolarHBondContact O-CB 3.37Å; S166-K169 PolarHBondContact O-N 3.33Å; L167-K169 PolarHBondContact O-N 3.43Å; K169-L171 VanDerWaalsContact C-N 3.33Å; K169-L171 PolarHBondContact O-N 3.1Å; K169-I172 WeakPolarHBondContact O-CB 3.47Å; K169-I172 PolarHBondContact O-N 2.86Å; K169-Q173 PolarHBondContact O-N 3.23Å; K169-Q173 VanDerWaalsContact O-N 3.09Å |
| 170 | V | 92.8 | Very high | 92.2 | Very high | 22 Ų | 22 | 56.5 Ų | 56.5 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 178.1 | 174.7 | 0 | 0 | 0 | 0 | 111 | V37 R40 S166 L167 I172 Q173 L174 | V37-V170 HydrophobicContact CG1-CG1 4.24Å; V37-V170 HydrophobicContact CG1-CG2 4.19Å; V37-V170 HydrophobicContact CG2-CG1 4.4Å; V37-V170 HydrophobicContact CG2-CG2 4.35Å; R40-V170 HydrophobicContact CB-CG2 4Å; S166-V170 WeakPolarHBondContact O-CG2 3.4Å; S166-V170 PolarHBondContact O-N 3.27Å; L167-V170 PolarHBondContact O-N 3.43Å; L167-V170 VanDerWaalsContact O-N 3.14Å; V170-I172 VanDerWaalsContact C-N 3.31Å; V170-I172 PolarHBondContact O-N 3.33Å; V170-Q173 PolarHBondContact O-N 2.99Å; V170-Q173 VanDerWaalsContact O-N 3.12Å; V170-L174 HydrophobicContact CG1-CD1 3.91Å; V170-L174 PolarHBondContact O-N 2.77Å |
| 171 | L | 92.5 | Very high | 91.9 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 176.1 | -69.3 | 174.3 | 0 | 0 | 0 | 112.6 | L167 K169 L174 G175 L176 L181 H182 N185 | L167-L171 HydrophobicContact CD1-CD1 4.34Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 4.03Å; L167-L171 HydrophobicContact CG-CD1 4.08Å; L167-L171 HydrophobicContact CG-CG 4.26Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.28Å; L167-L171 PolarHBondContact O-N 3.45Å; K169-L171 VanDerWaalsContact C-N 3.33Å; K169-L171 PolarHBondContact O-N 3.1Å; L171-L174 PolarHBondContact O-N 3.26Å; L171-G175 PolarHBondContact O-N 2.92Å; L171-L176 HydrophobicContact CD2-CB 4.36Å; L171-L176 HydrophobicContact CD2-CD1 4.12Å; L171-L176 WeakPolarHBondContact O-CA 3.44Å; L171-L176 WeakPolarHBondContact O-CB 3.3Å; L171-L176 PolarHBondContact O-N 3.3Å; L171-L181 HydrophobicContact CD1-CD2 4.38Å; L171-L181 HydrophobicContact CD1-CG 4.03Å; L171-L181 HydrophobicContact CD2-CD2 3.68Å; L171-L181 HydrophobicContact CD2-CG 4.22Å; L171-H182 HydrophobicContact CD1-CB 4.29Å; L171-N185 HydrophobicContact CD1-CB 4.16Å |
| 172 | I | 89.9 | Confident | 91.7 | Very high | 55 Ų | 55 | 57.6 Ų | 57.6 | 28% | 0.282 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 174.8 | -67.9 | 164.5 | 0 | 0 | 0 | 110.4 | G168 K169 V170 L174 G175 E177 | G168-I172 WeakPolarHBondContact O-CD1 3.37Å; G168-I172 WeakPolarHBondContact O-CG1 3.28Å; G168-I172 PolarHBondContact O-N 3.22Å; K169-I172 WeakPolarHBondContact O-CB 3.47Å; K169-I172 PolarHBondContact O-N 2.86Å; V170-I172 VanDerWaalsContact C-N 3.31Å; V170-I172 PolarHBondContact O-N 3.33Å; I172-L174 VanDerWaalsContact C-N 3.29Å; I172-L174 PolarHBondContact O-N 3.41Å; I172-G175 PolarHBondContact O-N 3.18Å; I172-E177 HydrophobicContact CG1-CB 4.04Å |
| 173 | Q | 87.1 | Confident | 91.5 | Very high | 46 Ų | 46 | 62.5 Ų | 62.5 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -30.6 | 178.1 | -67.7 | -169.4 | -70.3 | 0 | 0 | 113.5 | V36 K169 V170 G175 | V36-Q173 VanDerWaalsContact CB-NE2 3.26Å; V36-Q173 VanDerWaalsContact CG1-CD 3.48Å; K169-Q173 PolarHBondContact O-N 3.23Å; K169-Q173 VanDerWaalsContact O-N 3.09Å; V170-Q173 PolarHBondContact O-N 2.99Å; V170-Q173 VanDerWaalsContact O-N 3.12Å; Q173-G175 PolarHBondContact O-N 2.94Å |
| 174 | L | 88 | Confident | 91.3 | Very high | 65 Ų | 65 | 63.8 Ų | 63.8 | 34% | 0.34 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -1.4 | 172.3 | -75.2 | 164.4 | 0 | 0 | 0 | 113.3 | F26 W29 V170 L171 I172 L176 | F26-L174 HydrophobicContact CE1-CD2 4.12Å; F26-L174 HydrophobicContact CZ-CD2 4.36Å; W29-L174 HydrophobicContact CH2-CD2 4.23Å; W29-L174 HydrophobicContact CZ2-CD2 3.5Å; W29-L174 VanDerWaalsContact CZ2-CD2 3.5Å; W29-L174 HydrophobicContact CZ2-CG 4.08Å; V170-L174 HydrophobicContact CG1-CD1 3.91Å; V170-L174 PolarHBondContact O-N 2.77Å; L171-L174 PolarHBondContact O-N 3.26Å; I172-L174 VanDerWaalsContact C-N 3.29Å; I172-L174 PolarHBondContact O-N 3.41Å; L174-L176 HydrophobicContact CB-CD1 4.01Å; L174-L176 HydrophobicContact CB-CG 4Å; L174-L176 HydrophobicContact CD1-CD1 4.4Å; L174-L176 PolarHBondContact O-N 2.92Å |
| 175 | G | 87.4 | Confident | 91.2 | Very high | 60 Ų | 60 | 62.2 Ų | 62.2 | 62% | 0.619 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 16.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L171 I172 Q173 E177 | L171-G175 PolarHBondContact O-N 2.92Å; I172-G175 PolarHBondContact O-N 3.18Å; Q173-G175 PolarHBondContact O-N 2.94Å; G175-E177 VanDerWaalsContact C-N 3.33Å; G175-E177 PolarHBondContact O-N 3.48Å |
| 176 | L | 88 | Confident | 91.2 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 40% | 0.398 | 32% | 0.321 | S | S | . | . | trans | -96 | 25.3 | -177.7 | -62.2 | 176.5 | 0 | 0 | 0 | 112.4 | L171 L174 D178 S179 H182 | L171-L176 HydrophobicContact CD2-CB 4.36Å; L171-L176 HydrophobicContact CD2-CD1 4.12Å; L171-L176 WeakPolarHBondContact O-CA 3.44Å; L171-L176 WeakPolarHBondContact O-CB 3.3Å; L171-L176 PolarHBondContact O-N 3.3Å; L174-L176 HydrophobicContact CB-CD1 4.01Å; L174-L176 HydrophobicContact CB-CG 4Å; L174-L176 HydrophobicContact CD1-CD1 4.4Å; L174-L176 PolarHBondContact O-N 2.92Å; L176-D178 VanDerWaalsContact C-N 3.33Å; L176-D178 PolarHBondContact O-N 3.45Å; L176-S179 VanDerWaalsContact O-CB 3.24Å; L176-S179 WeakPolarHBondContact O-CB 3.3Å; L176-S179 PolarHBondContact O-N 2.84Å; L176-S179 PolarHBondContact O-OG 3.45Å; L176-H182 WeakPolarHBondContact O-CB 3.25Å | ||
| 177 | E | 87.6 | Confident | 91.2 | Very high | 102 Ų | 102 | 65.4 Ų | 65.4 | 48% | 0.477 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -28.4 | -174.8 | 61.2 | -178.6 | -172.7 | 0 | 0 | 114.1 | I172 G175 S179 H182 | I172-E177 HydrophobicContact CG1-CB 4.04Å; G175-E177 VanDerWaalsContact C-N 3.33Å; G175-E177 PolarHBondContact O-N 3.48Å; E177-S179 VanDerWaalsContact C-N 3.34Å; E177-H182 PolarHBondContact O-CD2 3.23Å |
| 178 | D | 84.8 | Confident | 91.3 | Very high | 126 Ų | 126 | 65.6 Ų | 65.6 | 67% | 0.674 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -5.3 | 175.2 | -71.5 | -46.7 | 0 | 0 | 0 | 113.8 | L176 | L176-D178 VanDerWaalsContact C-N 3.33Å; L176-D178 PolarHBondContact O-N 3.45Å |
| 179 | S | 90 | Very high | 91.4 | Very high | 32 Ų | 32 | 65.7 Ų | 65.7 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -66.8 | 153.8 | -176.8 | 73.7 | 0 | 0 | 0 | 0 | 112.5 | L176 E177 L181 H182 R183 | L176-S179 VanDerWaalsContact O-CB 3.24Å; L176-S179 WeakPolarHBondContact O-CB 3.3Å; L176-S179 PolarHBondContact O-N 2.84Å; L176-S179 PolarHBondContact O-OG 3.45Å; E177-S179 VanDerWaalsContact C-N 3.34Å; S179-L181 PolarHBondContact O-N 3.02Å; S179-H182 PolarHBondContact O-N 3.17Å; S179-H182 PolarHBondContact OG-N 3.14Å; S179-H182 VanDerWaalsContact OG-N 3.11Å; S179-R183 PolarHBondContact O-N 2.84Å |
| 180 | W | 90.8 | Very high | 91.7 | Very high | 198 Ų | 198 | 63 Ų | 63 | 75% | 0.75 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.5 | -36.6 | 170.9 | -178.2 | 83.5 | 0 | 0 | 0 | 111.7 | H182 R183 V184 | W180-H182 VanDerWaalsContact C-N 3.34Å; W180-H182 PolarHBondContact O-N 2.82Å; W180-R183 WeakPolarHBondContact O-CB 3.23Å; W180-R183 PolarHBondContact O-N 2.72Å; W180-R183 VanDerWaalsContact O-N 3.11Å; W180-V184 HydrophobicContact CD2-CG2 3.73Å; W180-V184 VanDerWaalsContact CE2-CG2 3.48Å; W180-V184 HydrophobicContact CE3-CG2 3.89Å; W180-V184 HydrophobicContact CG-CG2 4.49Å; W180-V184 HydrophobicContact CH2-CG2 3.66Å; W180-V184 HydrophobicContact CZ2-CG2 3.46Å; W180-V184 VanDerWaalsContact CZ2-CG2 3.46Å; W180-V184 HydrophobicContact CZ3-CG2 3.87Å; W180-V184 WeakPolarHBondContact O-CG2 3.24Å; W180-V184 PolarHBondContact O-N 3.42Å |
| 181 | L | 92.3 | Very high | 91.9 | Very high | 85 Ų | 85 | 66.6 Ų | 66.6 | 45% | 0.445 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 176.6 | -177.5 | 61.9 | 0 | 0 | 0 | 112.2 | L171 S179 R183 V184 N185 | L171-L181 HydrophobicContact CD1-CD2 4.38Å; L171-L181 HydrophobicContact CD1-CG 4.03Å; L171-L181 HydrophobicContact CD2-CD2 3.68Å; L171-L181 HydrophobicContact CD2-CG 4.22Å; S179-L181 PolarHBondContact O-N 3.02Å; L181-R183 VanDerWaalsContact C-N 3.31Å; L181-R183 PolarHBondContact O-N 3.09Å; L181-V184 PolarHBondContact O-N 3.12Å; L181-N185 WeakPolarHBondContact O-CB 3.31Å; L181-N185 PolarHBondContact O-N 3.47Å |
| 182 | H | 92.2 | Very high | 92.2 | Very high | 22 Ų | 22 | 66.5 Ų | 66.5 | 10% | 0.102 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 176.5 | -171.4 | 72.5 | 0 | 0 | 0 | 112.3 | G168 L171 L176 E177 S179 W180 G186 | G168-H182 PolarHBondContact O-CE1 3.06Å; L171-H182 HydrophobicContact CD1-CB 4.29Å; L176-H182 WeakPolarHBondContact O-CB 3.25Å; E177-H182 PolarHBondContact O-CD2 3.23Å; S179-H182 PolarHBondContact O-N 3.17Å; S179-H182 PolarHBondContact OG-N 3.14Å; S179-H182 VanDerWaalsContact OG-N 3.11Å; W180-H182 VanDerWaalsContact C-N 3.34Å; W180-H182 PolarHBondContact O-N 2.82Å; H182-G186 PolarHBondContact O-N 3.26Å |
| 183 | R | 91.1 | Very high | 92.5 | Very high | 120 Ų | 120 | 64.3 Ų | 64.3 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.2 | -47.9 | 176.6 | -61.5 | -179.8 | -168.6 | 176.5 | 4.2 | 111.7 | S179 W180 L181 N185 G186 V187 | S179-R183 PolarHBondContact O-N 2.84Å; W180-R183 WeakPolarHBondContact O-CB 3.23Å; W180-R183 PolarHBondContact O-N 2.72Å; W180-R183 VanDerWaalsContact O-N 3.11Å; L181-R183 VanDerWaalsContact C-N 3.31Å; L181-R183 PolarHBondContact O-N 3.09Å; R183-N185 VanDerWaalsContact C-N 3.34Å; R183-N185 PolarHBondContact O-N 3.13Å; R183-G186 WeakPolarHBondContact O-CA 3.23Å; R183-G186 PolarHBondContact O-N 3.13Å; R183-G186 VanDerWaalsContact O-N 3.12Å; R183-V187 PolarHBondContact O-N 3.38Å; R183-V187 VanDerWaalsContact O-N 3.11Å |
| 184 | V | 94.1 | Very high | 93 | Very high | 53 Ų | 53 | 66.1 Ų | 66.1 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 176 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | W180 L181 G186 V187 M188 | W180-V184 HydrophobicContact CD2-CG2 3.73Å; W180-V184 VanDerWaalsContact CE2-CG2 3.48Å; W180-V184 HydrophobicContact CE3-CG2 3.89Å; W180-V184 HydrophobicContact CG-CG2 4.49Å; W180-V184 HydrophobicContact CH2-CG2 3.66Å; W180-V184 HydrophobicContact CZ2-CG2 3.46Å; W180-V184 VanDerWaalsContact CZ2-CG2 3.46Å; W180-V184 HydrophobicContact CZ3-CG2 3.87Å; W180-V184 WeakPolarHBondContact O-CG2 3.24Å; W180-V184 PolarHBondContact O-N 3.42Å; L181-V184 PolarHBondContact O-N 3.12Å; V184-G186 VanDerWaalsContact C-N 3.27Å; V184-G186 PolarHBondContact O-N 3.02Å; V184-V187 PolarHBondContact O-N 3.18Å; V184-V187 VanDerWaalsContact O-N 3.12Å; V184-M188 HydrophobicContact CG1-CG 4.42Å; V184-M188 WeakPolarHBondContact O-CG 3.39Å; V184-M188 PolarHBondContact O-N 3.46Å |
| 185 | N | 95.9 | Very high | 93.4 | Very high | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 175.5 | -177 | 78.8 | 0 | 0 | 0 | 112 | F164 L167 G168 L171 L181 R183 V187 M188 V189 | F164-N185 PolarHBondContact O-ND2 2.96Å; F164-N185 PolarHBondContact O-OD1 2.89Å; L167-N185 WeakPolarHBondContact CD2-OD1 3.47Å; G168-N185 WeakPolarHBondContact CA-ND2 3.48Å; G168-N185 PolarHBondContact N-ND2 3.38Å; L171-N185 HydrophobicContact CD1-CB 4.16Å; L181-N185 WeakPolarHBondContact O-CB 3.31Å; L181-N185 PolarHBondContact O-N 3.47Å; R183-N185 VanDerWaalsContact C-N 3.34Å; R183-N185 PolarHBondContact O-N 3.13Å; N185-V187 VanDerWaalsContact C-N 3.33Å; N185-V187 PolarHBondContact O-N 3.21Å; N185-M188 PolarHBondContact O-N 3.02Å; N185-V189 WeakPolarHBondContact O-CG2 3.42Å; N185-V189 PolarHBondContact O-N 3.17Å |
| 186 | G | 94.8 | Very high | 93.9 | Very high | 32 Ų | 32 | 64.4 Ų | 64.4 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H182 R183 V184 V189 L190 | H182-G186 PolarHBondContact O-N 3.26Å; R183-G186 WeakPolarHBondContact O-CA 3.23Å; R183-G186 PolarHBondContact O-N 3.13Å; R183-G186 VanDerWaalsContact O-N 3.12Å; V184-G186 VanDerWaalsContact C-N 3.27Å; V184-G186 PolarHBondContact O-N 3.02Å; G186-V189 PolarHBondContact O-N 3.34Å; G186-L190 PolarHBondContact O-N 3.19Å |
| 187 | V | 95.4 | Very high | 94.3 | Very high | 82 Ų | 82 | 61.4 Ų | 61.4 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 173.9 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | R183 V184 N185 V189 L190 L191 | R183-V187 PolarHBondContact O-N 3.38Å; R183-V187 VanDerWaalsContact O-N 3.11Å; V184-V187 PolarHBondContact O-N 3.18Å; V184-V187 VanDerWaalsContact O-N 3.12Å; N185-V187 VanDerWaalsContact C-N 3.33Å; N185-V187 PolarHBondContact O-N 3.21Å; V187-V189 VanDerWaalsContact C-N 3.3Å; V187-V189 PolarHBondContact O-N 3.22Å; V187-L190 PolarHBondContact O-N 2.93Å; V187-L190 VanDerWaalsContact O-N 3.13Å; V187-L191 HydrophobicContact CG1-CD1 3.81Å; V187-L191 HydrophobicContact CG1-CG 4.19Å; V187-L191 WeakPolarHBondContact O-CG 3.36Å; V187-L191 PolarHBondContact O-N 3.32Å |
| 188 | M | 97 | Very high | 94.7 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 177.3 | -67.3 | -58.6 | -67 | 0 | 0 | 112.4 | F164 V184 N185 S192 | F164-M188 HydrophobicContact CD1-CB 3.76Å; F164-M188 HydrophobicContact CE1-CB 4.13Å; F164-M188 HydrophobicContact CE1-CE 3.87Å; F164-M188 HydrophobicContact CG-CB 4.16Å; F164-M188 HydrophobicContact CZ-CE 3.9Å; V184-M188 HydrophobicContact CG1-CG 4.42Å; V184-M188 WeakPolarHBondContact O-CG 3.39Å; V184-M188 PolarHBondContact O-N 3.46Å; N185-M188 PolarHBondContact O-N 3.02Å; M188-S192 VanDerWaalsContact O-CB 3.23Å; M188-S192 WeakPolarHBondContact O-CB 3.36Å; M188-S192 PolarHBondContact O-N 3.22Å; M188-S192 PolarHBondContact O-OG 3.05Å |
| 189 | V | 97 | Very high | 95.3 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 173.2 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | F164 V165 N185 G186 V187 S192 F193 L245 | F164-V189 HydrophobicContact CB-CG2 3.59Å; F164-V189 VanDerWaalsContact O-CG2 3.29Å; F164-V189 WeakPolarHBondContact O-CG2 3.22Å; V165-V189 HydrophobicContact CG2-CG1 3.87Å; V165-V189 HydrophobicContact CG2-CG2 4.23Å; N185-V189 WeakPolarHBondContact O-CG2 3.42Å; N185-V189 PolarHBondContact O-N 3.17Å; G186-V189 PolarHBondContact O-N 3.34Å; V187-V189 VanDerWaalsContact C-N 3.3Å; V187-V189 PolarHBondContact O-N 3.22Å; V189-S192 PolarHBondContact O-OG 3.28Å; V189-F193 WeakPolarHBondContact O-CB 3.47Å; V189-F193 PolarHBondContact O-N 3.01Å; V189-L245 HydrophobicContact CG1-CD1 3.94Å; V189-L245 HydrophobicContact CG1-CD2 4.01Å |
| 190 | L | 97.4 | Very high | 95.6 | Very high | 49 Ų | 49 | 54.4 Ų | 54.4 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -46 | -178.4 | -67.2 | 176 | 0 | 0 | 0 | 111.8 | G186 V187 F194 F242 L245 A249 | G186-L190 PolarHBondContact O-N 3.19Å; V187-L190 PolarHBondContact O-N 2.93Å; V187-L190 VanDerWaalsContact O-N 3.13Å; L190-F194 VanDerWaalsContact O-CB 3.29Å; L190-F194 WeakPolarHBondContact O-CB 3.49Å; L190-F194 PolarHBondContact O-N 3.11Å; L190-F242 HydrophobicContact CD2-CE2 4.25Å; L190-L245 HydrophobicContact CD2-CB 3.93Å; L190-A249 HydrophobicContact CD1-CB 4Å |
| 191 | L | 97.4 | Very high | 95.9 | Very high | 97 Ų | 97 | 45.6 Ų | 45.6 | 51% | 0.508 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.6 | -54.8 | 179.3 | -70 | 176.5 | 0 | 0 | 0 | 111.1 | V187 F193 F194 T195 | V187-L191 HydrophobicContact CG1-CD1 3.81Å; V187-L191 HydrophobicContact CG1-CG 4.19Å; V187-L191 WeakPolarHBondContact O-CG 3.36Å; V187-L191 PolarHBondContact O-N 3.32Å; L191-F193 VanDerWaalsContact C-N 3.33Å; L191-F193 PolarHBondContact O-N 3.2Å; L191-F194 PolarHBondContact O-N 3.44Å; L191-T195 WeakPolarHBondContact O-CG2 3.12Å; L191-T195 PolarHBondContact O-N 3.07Å; L191-T195 PolarHBondContact O-OG1 3.04Å |
| 192 | S | 97.4 | Very high | 96 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | -178.7 | 60 | 0 | 0 | 0 | 0 | 112.6 | S161 F164 M188 V189 T195 C196 | S161-S192 WeakPolarHBondContact CA-OG 3.21Å; F164-S192 WeakPolarHBondContact CD2-OG 3.22Å; M188-S192 VanDerWaalsContact O-CB 3.23Å; M188-S192 WeakPolarHBondContact O-CB 3.36Å; M188-S192 PolarHBondContact O-N 3.22Å; M188-S192 PolarHBondContact O-OG 3.05Å; V189-S192 PolarHBondContact O-OG 3.28Å; S192-T195 PolarHBondContact O-OG1 3.31Å; S192-C196 WeakPolarHBondContact O-CB 3.25Å; S192-C196 PolarHBondContact O-N 3.19Å |
| 193 | F | 97.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.1 | -44 | 178 | -156.3 | -70 | 0 | 0 | 0 | 111 | V189 L191 R197 I198 Q238 W241 F242 L245 | V189-F193 WeakPolarHBondContact O-CB 3.47Å; V189-F193 PolarHBondContact O-N 3.01Å; L191-F193 VanDerWaalsContact C-N 3.33Å; L191-F193 PolarHBondContact O-N 3.2Å; F193-R197 HydrophobicContact CD1-CB 4.21Å; F193-R197 HydrophobicContact CD1-CG 4.44Å; F193-R197 HydrophobicContact CE1-CB 4.18Å; F193-R197 HydrophobicContact CE1-CG 4.48Å; F193-R197 VanDerWaalsContact CZ-CD 3.49Å; F193-R197 WeakPolarHBondContact O-CB 3.24Å; F193-R197 PolarHBondContact O-N 3.36Å; F193-R197 VanDerWaalsContact O-N 3.11Å; F193-I198 PolarHBondContact O-N 2.9Å; F193-Q238 HydrophobicContact CE1-CB 4.23Å; F193-Q238 VanDerWaalsContact CE1-O 3.24Å; F193-Q238 WeakPolarHBondContact CE1-O 3.31Å; F193-W241 HydrophobicContact CE1-CB 4.21Å; F193-W241 HydrophobicContact CE2-CB 4.22Å; F193-W241 HydrophobicContact CZ-CB 3.53Å; F193-W241 HydrophobicContact CZ-CE3 4.19Å; F193-W241 HydrophobicContact CZ-CG 4.38Å; F193-F242 HydrophobicContact CB-CD2 4.22Å; F193-F242 HydrophobicContact CD1-CB 3.85Å; F193-F242 AromaticContact CD1-CD2 3.82Å; F193-F242 HydrophobicContact CD1-CD2 3.82Å; F193-F242 HydrophobicContact CD1-CG 4.25Å; F193-F242 HydrophobicContact CE1-CB 3.91Å; F193-F242 HydrophobicContact CG-CD2 4.28Å; F193-L245 HydrophobicContact CB-CD1 4.35Å; F193-L245 HydrophobicContact CD2-CD1 3.54Å; F193-L245 HydrophobicContact CE2-CD1 3.94Å; F193-L245 HydrophobicContact CG-CD1 3.88Å |
| 194 | F | 97.8 | Very high | 96.4 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -64.2 | -49.7 | 177.3 | -179.2 | -111.2 | 0 | 0 | 0 | 111.9 | L190 L191 I198 L199 F242 | L190-F194 VanDerWaalsContact O-CB 3.29Å; L190-F194 WeakPolarHBondContact O-CB 3.49Å; L190-F194 PolarHBondContact O-N 3.11Å; L191-F194 PolarHBondContact O-N 3.44Å; F194-I198 HydrophobicContact CD2-CB 4.19Å; F194-I198 HydrophobicContact CD2-CD1 4.14Å; F194-I198 HydrophobicContact CD2-CG2 4.35Å; F194-I198 HydrophobicContact CE2-CG2 4.28Å; F194-I198 WeakPolarHBondContact O-CA 3.5Å; F194-I198 WeakPolarHBondContact O-CB 3.47Å; F194-I198 PolarHBondContact O-N 3.33Å; F194-I198 VanDerWaalsContact O-N 3.12Å; F194-L199 HydrophobicContact CD1-CD1 3.92Å; F194-L199 HydrophobicContact CD1-CG 4.12Å; F194-L199 HydrophobicContact CE1-CD1 3.45Å; F194-L199 VanDerWaalsContact CE1-CD1 3.45Å; F194-L199 HydrophobicContact CE1-CD2 4.1Å; F194-L199 HydrophobicContact CE1-CG 3.7Å; F194-L199 HydrophobicContact CE2-CD2 4.38Å; F194-L199 HydrophobicContact CE2-CG 4.37Å; F194-L199 HydrophobicContact CZ-CD1 4.03Å; F194-L199 HydrophobicContact CZ-CD2 3.78Å; F194-L199 HydrophobicContact CZ-CG 3.83Å; F194-L199 PolarHBondContact O-N 2.94Å; F194-F242 HydrophobicContact CB-CE2 3.86Å; F194-F242 HydrophobicContact CB-CZ 3.94Å; F194-F242 HydrophobicContact CD2-CE1 4.15Å; F194-F242 HydrophobicContact CD2-CZ 4.03Å; F194-F242 HydrophobicContact CG-CZ 4.31Å |
| 195 | T | 96.9 | Very high | 96.5 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 39% | 0.393 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -71.7 | -48.8 | -175.3 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | L191 S192 L199 L200 | L191-T195 WeakPolarHBondContact O-CG2 3.12Å; L191-T195 PolarHBondContact O-N 3.07Å; L191-T195 PolarHBondContact O-OG1 3.04Å; S192-T195 PolarHBondContact O-OG1 3.31Å; T195-L199 HydrophobicContact CG2-CD1 4.49Å; T195-L200 PolarHBondContact O-N 3.38Å |
| 196 | C | 96.4 | Very high | 96.5 | Very high | 25 Ų | 25 | 47 Ų | 47 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -87.4 | -18.1 | -170.3 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | A158 F160 S192 L200 | A158-C196 WeakPolarHBondContact CA-O 3.26Å; F160-C196 HydrophobicContact CB-CB 4.28Å; F160-C196 VanDerWaalsContact CD1-SG 3.52Å; S192-C196 WeakPolarHBondContact O-CB 3.25Å; S192-C196 PolarHBondContact O-N 3.19Å; C196-L200 WeakPolarHBondContact O-CB 3.39Å; C196-L200 WeakPolarHBondContact O-CD2 3.2Å |
| 197 | R | 96.2 | Very high | 96.6 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -112.5 | -40.2 | 179.5 | -53 | -173.4 | 157.9 | -126 | -4.8 | 113.6 | A158 E159 S161 T162 F193 F201 Q238 | A158-R197 HydrophobicContact CB-CG 4.12Å; A158-R197 WeakPolarHBondContact O-CG 3.34Å; A158-R197 PolarHBondContact O-NE 2.73Å; A158-R197 PolarHBondContact O-NH2 3.16Å; E159-R197 IonicContact OE1-CZ 3.31Å; E159-R197 IonicContact OE1-NH2 3.96Å; E159-R197 PolarHBondContact OE1-NH2 3.28Å; E159-R197 IonicContact OE2-NH2 3.27Å; S161-R197 WeakPolarHBondContact OG-CD 3.12Å; S161-R197 PolarHBondContact OG-NE 3.41Å; T162-R197 PolarHBondContact OG1-NH2 2.86Å; F193-R197 HydrophobicContact CD1-CB 4.21Å; F193-R197 HydrophobicContact CD1-CG 4.44Å; F193-R197 HydrophobicContact CE1-CB 4.18Å; F193-R197 HydrophobicContact CE1-CG 4.48Å; F193-R197 VanDerWaalsContact CZ-CD 3.49Å; F193-R197 WeakPolarHBondContact O-CB 3.24Å; F193-R197 PolarHBondContact O-N 3.36Å; F193-R197 VanDerWaalsContact O-N 3.11Å; R197-F201 VanDerWaalsContact O-CD2 3.23Å; R197-F201 WeakPolarHBondContact O-CD2 3.37Å; R197-F201 VanDerWaalsContact O-CE2 3.24Å; R197-F201 WeakPolarHBondContact O-CE2 3.5Å; R197-Q238 HydrophobicContact CB-CB 4.34Å; R197-Q238 HydrophobicContact CB-CG 4.41Å |
| 198 | I | 97.1 | Very high | 96.5 | Very high | 28 Ų | 28 | 43.6 Ų | 43.6 | 14% | 0.144 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -90.6 | -56.4 | -177 | -60.5 | 177.6 | 0 | 0 | 0 | 110.7 | F193 F194 L200 F201 P202 L235 F242 | F193-I198 PolarHBondContact O-N 2.9Å; F194-I198 HydrophobicContact CD2-CB 4.19Å; F194-I198 HydrophobicContact CD2-CD1 4.14Å; F194-I198 HydrophobicContact CD2-CG2 4.35Å; F194-I198 HydrophobicContact CE2-CG2 4.28Å; F194-I198 WeakPolarHBondContact O-CA 3.5Å; F194-I198 WeakPolarHBondContact O-CB 3.47Å; F194-I198 PolarHBondContact O-N 3.33Å; F194-I198 VanDerWaalsContact O-N 3.12Å; I198-L200 PolarHBondContact O-N 3.21Å; I198-F201 PolarHBondContact O-N 2.95Å; I198-P202 VanDerWaalsContact O-CD 3.23Å; I198-P202 WeakPolarHBondContact O-CD 3.29Å; I198-L235 HydrophobicContact CG2-CD1 4.48Å; I198-F242 HydrophobicContact CD1-CB 3.6Å; I198-F242 HydrophobicContact CD1-CD1 3.49Å; I198-F242 VanDerWaalsContact CD1-CD1 3.49Å; I198-F242 HydrophobicContact CD1-CD2 4.15Å; I198-F242 HydrophobicContact CD1-CE1 4.17Å; I198-F242 HydrophobicContact CD1-CG 3.47Å; I198-F242 VanDerWaalsContact CD1-CG 3.47Å |
| 199 | L | 96.9 | Very high | 96.5 | Very high | 74 Ų | 74 | 40.1 Ų | 40.1 | 39% | 0.387 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14.5 | -179.5 | -68.3 | -174.5 | 0 | 0 | 0 | 113.7 | F194 T195 F201 P202 Y203 | F194-L199 HydrophobicContact CD1-CD1 3.92Å; F194-L199 HydrophobicContact CD1-CG 4.12Å; F194-L199 HydrophobicContact CE1-CD1 3.45Å; F194-L199 VanDerWaalsContact CE1-CD1 3.45Å; F194-L199 HydrophobicContact CE1-CD2 4.1Å; F194-L199 HydrophobicContact CE1-CG 3.7Å; F194-L199 HydrophobicContact CE2-CD2 4.38Å; F194-L199 HydrophobicContact CE2-CG 4.37Å; F194-L199 HydrophobicContact CZ-CD1 4.03Å; F194-L199 HydrophobicContact CZ-CD2 3.78Å; F194-L199 HydrophobicContact CZ-CG 3.83Å; F194-L199 PolarHBondContact O-N 2.94Å; T195-L199 HydrophobicContact CG2-CD1 4.49Å; L199-F201 VanDerWaalsContact C-N 3.26Å; L199-F201 PolarHBondContact O-N 3.33Å; L199-P202 HydrophobicContact CD2-CG 4.26Å; L199-P202 VanDerWaalsContact O-CD 3.25Å; L199-P202 WeakPolarHBondContact O-CD 3.4Å; L199-P202 VanDerWaalsContact O-CG 3.28Å; L199-P202 WeakPolarHBondContact O-CG 3.27Å; L199-Y203 VanDerWaalsContact O-CB 3.3Å; L199-Y203 WeakPolarHBondContact O-CB 3.38Å; L199-Y203 PolarHBondContact O-N 3.44Å |
| 200 | L | 96.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.3 | -38.1 | 172.9 | -171.6 | 73 | 0 | 0 | 0 | 112.3 | C154 A158 T195 C196 I198 Y203 M204 | C154-L200 HydrophobicContact CB-CD1 3.82Å; C154-L200 HydrophobicContact CB-CD2 4.12Å; C154-L200 HydrophobicContact CB-CG 4.12Å; C154-L200 WeakPolarHBondContact O-CD2 3.39Å; A158-L200 HydrophobicContact CB-CD2 4.23Å; T195-L200 PolarHBondContact O-N 3.38Å; C196-L200 WeakPolarHBondContact O-CB 3.39Å; C196-L200 WeakPolarHBondContact O-CD2 3.2Å; I198-L200 PolarHBondContact O-N 3.21Å; L200-Y203 HydrophobicContact CD1-CD1 4.39Å; L200-Y203 WeakPolarHBondContact O-CB 3.29Å; L200-Y203 PolarHBondContact O-N 2.89Å; L200-M204 VanDerWaalsContact O-CG 3.3Å; L200-M204 WeakPolarHBondContact O-CG 3.48Å; L200-M204 PolarHBondContact O-N 3.05Å |
| 201 | F | 95.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 5% | 0.053 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -54.9 | 179.6 | -72.1 | -94.1 | 0 | 0 | 0 | 113.4 | F155 R197 I198 L199 Y203 M204 Y205 N231 I234 L235 | F155-F201 HydrophobicContact CE1-CE1 4.06Å; F155-F201 HydrophobicContact CE1-CZ 4.07Å; R197-F201 VanDerWaalsContact O-CD2 3.23Å; R197-F201 WeakPolarHBondContact O-CD2 3.37Å; R197-F201 VanDerWaalsContact O-CE2 3.24Å; R197-F201 WeakPolarHBondContact O-CE2 3.5Å; I198-F201 PolarHBondContact O-N 2.95Å; L199-F201 VanDerWaalsContact C-N 3.26Å; L199-F201 PolarHBondContact O-N 3.33Å; F201-Y203 PolarHBondContact O-N 3.31Å; F201-M204 HydrophobicContact CB-CE 4.4Å; F201-M204 HydrophobicContact CD1-CE 3.66Å; F201-M204 HydrophobicContact CE1-CE 4Å; F201-M204 HydrophobicContact CG-CE 3.99Å; F201-M204 PolarHBondContact O-N 3.32Å; F201-Y205 WeakPolarHBondContact O-CD2 2.92Å; F201-Y205 PolarHBondContact O-N 2.84Å; F201-Y205 VanDerWaalsContact O-N 3.16Å; F201-N231 HydrophobicContact CD1-CB 4.01Å; F201-N231 HydrophobicContact CE1-CB 4.06Å; F201-N231 WeakPolarHBondContact CE1-O 3.3Å; F201-I234 HydrophobicContact CE1-CB 4.19Å; F201-I234 HydrophobicContact CE1-CG2 4.41Å; F201-I234 HydrophobicContact CZ-CB 3.87Å; F201-I234 HydrophobicContact CZ-CG2 3.69Å; F201-L235 HydrophobicContact CB-CD2 4.31Å; F201-L235 HydrophobicContact CD1-CB 4.13Å; F201-L235 HydrophobicContact CD2-CB 4.05Å; F201-L235 HydrophobicContact CD2-CD1 3.59Å; F201-L235 HydrophobicContact CD2-CD2 4.37Å; F201-L235 HydrophobicContact CD2-CG 4.19Å; F201-L235 HydrophobicContact CE1-CB 3.93Å; F201-L235 HydrophobicContact CE2-CB 3.83Å; F201-L235 HydrophobicContact CE2-CD1 3.81Å; F201-L235 HydrophobicContact CE2-CG 4.34Å; F201-L235 HydrophobicContact CG-CB 4.18Å; F201-L235 HydrophobicContact CG-CD1 4.22Å; F201-L235 HydrophobicContact CG-CD2 4.17Å; F201-L235 HydrophobicContact CG-CG 4.41Å; F201-L235 HydrophobicContact CZ-CB 3.77Å |
| 202 | P | 96 | Very high | 96.1 | Very high | 51 Ų | 51 | 45 Ų | 45 | 33% | 0.331 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -32.2 | 174.1 | 23 | -31.6 | 0 | 0 | 0 | 112.1 | I198 L199 Y205 W206 F216 | I198-P202 VanDerWaalsContact O-CD 3.23Å; I198-P202 WeakPolarHBondContact O-CD 3.29Å; L199-P202 HydrophobicContact CD2-CG 4.26Å; L199-P202 VanDerWaalsContact O-CD 3.25Å; L199-P202 WeakPolarHBondContact O-CD 3.4Å; L199-P202 VanDerWaalsContact O-CG 3.28Å; L199-P202 WeakPolarHBondContact O-CG 3.27Å; P202-Y205 PolarHBondContact O-N 2.74Å; P202-W206 WeakPolarHBondContact O-CB 3.27Å; P202-W206 PolarHBondContact O-N 3.21Å; P202-F216 HydrophobicContact CB-CE2 4.32Å; P202-F216 HydrophobicContact CB-CZ 3.89Å; P202-F216 WeakPolarHBondContact O-CE2 3.48Å |
| 203 | Y | 96.2 | Very high | 96 | Very high | 105 Ų | 105 | 51 Ų | 51 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.3 | -48.4 | 172.6 | 170.6 | -102.9 | 0 | 0 | 0 | 112.4 | F150 L199 L200 F201 Y205 W206 V207 | F150-Y203 AromaticContact CZ-CE1 3.87Å; F150-Y203 HydrophobicContact CZ-CE1 3.87Å; L199-Y203 VanDerWaalsContact O-CB 3.3Å; L199-Y203 WeakPolarHBondContact O-CB 3.38Å; L199-Y203 PolarHBondContact O-N 3.44Å; L200-Y203 HydrophobicContact CD1-CD1 4.39Å; L200-Y203 WeakPolarHBondContact O-CB 3.29Å; L200-Y203 PolarHBondContact O-N 2.89Å; F201-Y203 PolarHBondContact O-N 3.31Å; Y203-Y205 VanDerWaalsContact C-N 3.29Å; Y203-Y205 PolarHBondContact O-N 2.95Å; Y203-W206 AromaticContact CD2-CE3 3.93Å; Y203-W206 HydrophobicContact CD2-CE3 3.93Å; Y203-W206 HydrophobicContact CD2-CZ3 4.24Å; Y203-W206 HydrophobicContact CE2-CE3 4.07Å; Y203-W206 HydrophobicContact CE2-CZ3 4Å; Y203-W206 WeakPolarHBondContact O-CB 3.39Å; Y203-W206 PolarHBondContact O-N 3.42Å; Y203-W206 VanDerWaalsContact O-N 3.11Å; Y203-V207 HydrophobicContact CD2-CG2 4.09Å; Y203-V207 HydrophobicContact CE1-CG2 4.08Å; Y203-V207 HydrophobicContact CE2-CG2 3.59Å; Y203-V207 WeakPolarHBondContact O-CG2 3.46Å; Y203-V207 PolarHBondContact O-N 3.42Å |
| 204 | M | 95.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.1 | -40.8 | 176.9 | -73.6 | -174.7 | -57.3 | 0 | 0 | 112.1 | F150 F151 C154 F155 L200 F201 Y208 | F150-M204 HydrophobicContact CE1-CG 4.43Å; F151-M204 HydrophobicContact CB-SD 4.44Å; F151-M204 HydrophobicContact CD1-CB 4Å; F151-M204 HydrophobicContact CD1-CG 3.96Å; F151-M204 HydrophobicContact CD1-SD 3.74Å; F151-M204 HydrophobicContact CE1-CB 3.96Å; F151-M204 HydrophobicContact CE1-CG 4.38Å; C154-M204 HydrophobicContact CB-CG 3.92Å; C154-M204 HydrophobicContact CB-SD 3.62Å; F155-M204 HydrophobicContact CE1-CE 3.7Å; F155-M204 HydrophobicContact CE1-SD 4.12Å; F155-M204 HydrophobicContact CZ-CE 4.07Å; F155-M204 HydrophobicContact CZ-SD 4.26Å; L200-M204 VanDerWaalsContact O-CG 3.3Å; L200-M204 WeakPolarHBondContact O-CG 3.48Å; L200-M204 PolarHBondContact O-N 3.05Å; F201-M204 HydrophobicContact CB-CE 4.4Å; F201-M204 HydrophobicContact CD1-CE 3.66Å; F201-M204 HydrophobicContact CE1-CE 4Å; F201-M204 HydrophobicContact CG-CE 3.99Å; F201-M204 PolarHBondContact O-N 3.32Å; M204-Y208 WeakPolarHBondContact O-CB 3.32Å; M204-Y208 PolarHBondContact O-N 3.07Å |
| 205 | Y | 95.8 | Very high | 95.6 | Very high | 30 Ų | 30 | 51 Ų | 51 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 177 | -81.5 | -122.8 | 0 | 0 | 0 | 111.6 | F201 P202 Y203 G209 V219 P220 L223 N228 N231 | F201-Y205 WeakPolarHBondContact O-CD2 2.92Å; F201-Y205 PolarHBondContact O-N 2.84Å; F201-Y205 VanDerWaalsContact O-N 3.16Å; P202-Y205 PolarHBondContact O-N 2.74Å; Y203-Y205 VanDerWaalsContact C-N 3.29Å; Y203-Y205 PolarHBondContact O-N 2.95Å; Y205-G209 PolarHBondContact O-N 3.12Å; Y205-V219 HydrophobicContact CD1-CB 4.19Å; Y205-V219 HydrophobicContact CD1-CG1 3.61Å; Y205-V219 HydrophobicContact CE1-CG1 4.39Å; Y205-V219 HydrophobicContact CG-CG1 4.11Å; Y205-P220 HydrophobicContact CD1-CG 3.97Å; Y205-P220 HydrophobicContact CE1-CB 4.19Å; Y205-P220 HydrophobicContact CE1-CG 3.92Å; Y205-L223 HydrophobicContact CD1-CD1 4.12Å; Y205-L223 HydrophobicContact CE1-CD1 3.68Å; Y205-N228 WeakPolarHBondContact CE1-OD1 3.14Å; Y205-N228 PolarHBondContact OH-OD1 3.34Å; Y205-N231 HydrophobicContact CE2-CB 4.41Å; Y205-N231 VanDerWaalsContact CE2-ND2 3.28Å; Y205-N231 WeakPolarHBondContact CE2-ND2 3.42Å; Y205-N231 PolarHBondContact OH-ND2 3.06Å; Y205-N231 VanDerWaalsContact OH-ND2 3.12Å |
| 206 | W | 96.2 | Very high | 95.4 | Very high | 129 Ų | 129 | 53 Ų | 53 | 49% | 0.489 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.2 | -48.2 | 177.3 | 175.2 | 68.9 | 0 | 0 | 0 | 111.8 | P202 Y203 Y208 G209 Q210 F216 | P202-W206 WeakPolarHBondContact O-CB 3.27Å; P202-W206 PolarHBondContact O-N 3.21Å; Y203-W206 AromaticContact CD2-CE3 3.93Å; Y203-W206 HydrophobicContact CD2-CE3 3.93Å; Y203-W206 HydrophobicContact CD2-CZ3 4.24Å; Y203-W206 HydrophobicContact CE2-CE3 4.07Å; Y203-W206 HydrophobicContact CE2-CZ3 4Å; Y203-W206 WeakPolarHBondContact O-CB 3.39Å; Y203-W206 PolarHBondContact O-N 3.42Å; Y203-W206 VanDerWaalsContact O-N 3.11Å; W206-Y208 PolarHBondContact O-N 3.32Å; W206-G209 PolarHBondContact O-N 2.92Å; W206-G209 VanDerWaalsContact O-N 3.14Å; W206-Q210 HydrophobicContact CZ2-CG 4.48Å; W206-Q210 WeakPolarHBondContact O-CG 3.49Å; W206-Q210 PolarHBondContact O-N 3.38Å; W206-F216 HydrophobicContact CB-CD2 3.97Å; W206-F216 HydrophobicContact CB-CE2 4.17Å |
| 207 | V | 95.4 | Very high | 95.2 | Very high | 28 Ų | 28 | 57.7 Ų | 57.7 | 17% | 0.17 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 178.1 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | V64 F150 Y203 G209 Q210 Q211 | V64-V207 HydrophobicContact CG1-CG1 3.66Å; F150-V207 HydrophobicContact CE1-CB 4.27Å; F150-V207 HydrophobicContact CE1-CG1 4.26Å; F150-V207 HydrophobicContact CE2-CG1 4.3Å; F150-V207 HydrophobicContact CZ-CB 3.94Å; F150-V207 HydrophobicContact CZ-CG1 3.82Å; F150-V207 HydrophobicContact CZ-CG2 4.02Å; Y203-V207 HydrophobicContact CD2-CG2 4.09Å; Y203-V207 HydrophobicContact CE1-CG2 4.08Å; Y203-V207 HydrophobicContact CE2-CG2 3.59Å; Y203-V207 WeakPolarHBondContact O-CG2 3.46Å; Y203-V207 PolarHBondContact O-N 3.42Å; V207-G209 VanDerWaalsContact C-N 3.33Å; V207-G209 PolarHBondContact O-N 3.36Å; V207-Q210 PolarHBondContact O-N 3.17Å; V207-Q211 PolarHBondContact O-N 3.46Å |
| 208 | Y | 94.8 | Very high | 95.1 | Very high | 15 Ų | 15 | 62.6 Ų | 62.6 | 6% | 0.059 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 172.4 | 177 | -86.8 | 0 | 0 | 0 | 111.6 | V64 M65 F151 M204 W206 Q210 Q211 Y212 I214 V219 H222 L223 | V64-Y208 HydrophobicContact CG2-CD2 4.27Å; M65-Y208 HydrophobicContact CE-CE2 4.5Å; M65-Y208 HydrophobicContact CG-CD2 3.95Å; M65-Y208 HydrophobicContact CG-CE2 3.7Å; M65-Y208 HydrophobicContact SD-CD2 3.76Å; M65-Y208 HydrophobicContact SD-CE2 3.57Å; M65-Y208 VanDerWaalsContact SD-CE2 3.57Å; F151-Y208 HydrophobicContact CZ-CD2 4.28Å; M204-Y208 WeakPolarHBondContact O-CB 3.32Å; M204-Y208 PolarHBondContact O-N 3.07Å; W206-Y208 PolarHBondContact O-N 3.32Å; Y208-Q210 VanDerWaalsContact C-N 3.31Å; Y208-Q210 PolarHBondContact O-N 3.42Å; Y208-Q211 PolarHBondContact O-N 3.12Å; Y208-Y212 HydrophobicContact CD1-CD2 4.22Å; Y208-Y212 AromaticContact CD2-CD2 3.89Å; Y208-Y212 HydrophobicContact CD2-CD2 3.89Å; Y208-Y212 AromaticContact CD2-CE2 3.74Å; Y208-Y212 HydrophobicContact CD2-CE2 3.74Å; Y208-Y212 AromaticContact CE1-CD2 3.91Å; Y208-Y212 HydrophobicContact CE1-CD2 3.91Å; Y208-Y212 HydrophobicContact CE1-CE2 4.44Å; Y208-Y212 AromaticContact CE2-CD2 3.54Å; Y208-Y212 HydrophobicContact CE2-CD2 3.54Å; Y208-Y212 AromaticContact CE2-CE2 3.24Å; Y208-Y212 HydrophobicContact CE2-CE2 3.24Å; Y208-Y212 HydrophobicContact CG-CD2 4.22Å; Y208-Y212 AromaticContact CZ-CD2 3.55Å; Y208-Y212 AromaticContact CZ-CE2 3.65Å; Y208-Y212 WeakPolarHBondContact O-CD2 3.44Å; Y208-Y212 PolarHBondContact O-N 3.36Å; Y208-Y212 VanDerWaalsContact O-N 3.17Å; Y208-I214 HydrophobicContact CE1-CD1 4.43Å; Y208-V219 HydrophobicContact CD1-CG1 3.57Å; Y208-V219 HydrophobicContact CE1-CG1 4.12Å; Y208-H222 AromaticContact CE1-ND1 3.85Å; Y208-H222 AromaticContact CZ-ND1 3.92Å; Y208-H222 PolarHBondContact OH-CE1 3.27Å; Y208-H222 PolarHBondContact OH-ND1 3.48Å; Y208-H222 VanDerWaalsContact OH-ND1 3.07Å; Y208-L223 HydrophobicContact CD1-CD2 4.3Å; Y208-L223 HydrophobicContact CD2-CD2 4.38Å; Y208-L223 HydrophobicContact CE1-CD2 3.78Å; Y208-L223 HydrophobicContact CE1-CG 4.14Å; Y208-L223 HydrophobicContact CE2-CD2 3.87Å |
| 209 | G | 95.6 | Very high | 95 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y205 W206 V207 Y212 T213 I214 | Y205-G209 PolarHBondContact O-N 3.12Å; W206-G209 PolarHBondContact O-N 2.92Å; W206-G209 VanDerWaalsContact O-N 3.14Å; V207-G209 VanDerWaalsContact C-N 3.33Å; V207-G209 PolarHBondContact O-N 3.36Å; G209-Y212 PolarHBondContact O-N 3.05Å; G209-T213 CarbonylContact O-C 3.53Å; G209-T213 WeakPolarHBondContact O-CA 3.47Å; G209-T213 PolarHBondContact O-N 2.81Å; G209-I214 CarbonylContact C-O 3.59Å; G209-I214 WeakPolarHBondContact CA-O 3.47Å; G209-I214 PolarHBondContact O-N 2.89Å |
| 210 | Q | 95.4 | Very high | 94.8 | Very high | 120 Ų | 120 | 60.1 Ų | 60.1 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.1 | -46.9 | 175.7 | -67.2 | -62.1 | -20.9 | 0 | 0 | 112 | W206 V207 Y208 Y212 T213 | W206-Q210 HydrophobicContact CZ2-CG 4.48Å; W206-Q210 WeakPolarHBondContact O-CG 3.49Å; W206-Q210 PolarHBondContact O-N 3.38Å; V207-Q210 PolarHBondContact O-N 3.17Å; Y208-Q210 VanDerWaalsContact C-N 3.31Å; Y208-Q210 PolarHBondContact O-N 3.42Å; Q210-Y212 VanDerWaalsContact C-N 3.29Å; Q210-Y212 PolarHBondContact O-N 3.28Å; Q210-T213 PolarHBondContact O-N 2.85Å; Q210-T213 VanDerWaalsContact O-N 3.14Å |
| 211 | Q | 94.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 68.2 Ų | 68.2 | 28% | 0.276 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | -179.4 | -179 | 171.1 | -54.3 | 0 | 0 | 112.5 | D63 V207 Y208 | D63-Q211 VanDerWaalsContact CG-NE2 3.26Å; D63-Q211 PolarHBondContact OD1-NE2 2.88Å; D63-Q211 PolarHBondContact OD2-NE2 3.12Å; V207-Q211 PolarHBondContact O-N 3.46Å; Y208-Q211 PolarHBondContact O-N 3.12Å |
| 212 | Y | 93.6 | Very high | 94.5 | Very high | 80 Ų | 80 | 72.6 Ų | 72.6 | 31% | 0.314 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 4.8 | 179.9 | -69.4 | -82.3 | 0 | 0 | 0 | 113.8 | M65 Y208 G209 Q210 I214 | M65-Y212 HydrophobicContact CG-CE2 3.78Å; M65-Y212 WeakPolarHBondContact CG-OH 3.36Å; Y208-Y212 HydrophobicContact CD1-CD2 4.22Å; Y208-Y212 AromaticContact CD2-CD2 3.89Å; Y208-Y212 HydrophobicContact CD2-CD2 3.89Å; Y208-Y212 AromaticContact CD2-CE2 3.74Å; Y208-Y212 HydrophobicContact CD2-CE2 3.74Å; Y208-Y212 AromaticContact CE1-CD2 3.91Å; Y208-Y212 HydrophobicContact CE1-CD2 3.91Å; Y208-Y212 HydrophobicContact CE1-CE2 4.44Å; Y208-Y212 AromaticContact CE2-CD2 3.54Å; Y208-Y212 HydrophobicContact CE2-CD2 3.54Å; Y208-Y212 AromaticContact CE2-CE2 3.24Å; Y208-Y212 HydrophobicContact CE2-CE2 3.24Å; Y208-Y212 HydrophobicContact CG-CD2 4.22Å; Y208-Y212 AromaticContact CZ-CD2 3.55Å; Y208-Y212 AromaticContact CZ-CE2 3.65Å; Y208-Y212 WeakPolarHBondContact O-CD2 3.44Å; Y208-Y212 PolarHBondContact O-N 3.36Å; Y208-Y212 VanDerWaalsContact O-N 3.17Å; G209-Y212 PolarHBondContact O-N 3.05Å; Q210-Y212 VanDerWaalsContact C-N 3.29Å; Q210-Y212 PolarHBondContact O-N 3.28Å; Y212-I214 PolarHBondContact O-N 2.81Å |
| 213 | T | 94.9 | Very high | 94.2 | Very high | 131 Ų | 131 | 71.2 Ų | 71.2 | 80% | 0.804 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 37.3 | -175.5 | -41 | 0 | 0 | 0 | 0 | 112.9 | G209 Q210 | G209-T213 CarbonylContact O-C 3.53Å; G209-T213 WeakPolarHBondContact O-CA 3.47Å; G209-T213 PolarHBondContact O-N 2.81Å; Q210-T213 PolarHBondContact O-N 2.85Å; Q210-T213 VanDerWaalsContact O-N 3.14Å |
| 214 | I | 94.5 | Very high | 93.9 | Very high | 29 Ų | 29 | 69.2 Ų | 69.2 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | trans | -101 | 130.7 | -179.8 | -58.8 | 173.5 | 0 | 0 | 0 | 109.1 | Y208 G209 Y212 F216 K218 V219 H222 | Y208-I214 HydrophobicContact CE1-CD1 4.43Å; G209-I214 CarbonylContact C-O 3.59Å; G209-I214 WeakPolarHBondContact CA-O 3.47Å; G209-I214 PolarHBondContact O-N 2.89Å; Y212-I214 PolarHBondContact O-N 2.81Å; I214-F216 PolarHBondContact O-N 3.05Å; I214-K218 HydrophobicContact CG2-CB 3.78Å; I214-V219 HydrophobicContact CB-CG2 4.3Å; I214-V219 HydrophobicContact CG2-CG2 3.96Å; I214-H222 HydrophobicContact CD1-CB 3.97Å; I214-H222 VanDerWaalsContact CD1-CD2 3.47Å; I214-H222 WeakPolarHBondContact CD1-CD2 3.48Å; I214-H222 WeakPolarHBondContact CD1-ND1 3.36Å | ||
| 215 | P | 93.7 | Very high | 93.7 | Very high | 62 Ų | 62 | 75.1 Ų | 75.1 | 40% | 0.403 | 37% | 0.366 | S | S | . | . | trans | -57.7 | 138 | 173.1 | -19.5 | 29.4 | 0 | 0 | 0 | 111 | H217 K218 V219 | P215-H217 VanDerWaalsContact C-N 3.27Å; P215-H217 VanDerWaalsContact CB-CE1 3.48Å; P215-H217 WeakPolarHBondContact CB-CE1 3.41Å; P215-H217 PolarHBondContact O-N 3.49Å; P215-H217 VanDerWaalsContact O-N 3.07Å; P215-K218 HydrophobicContact CB-CG 4.4Å; P215-K218 HydrophobicContact CG-CD 4.16Å; P215-K218 HydrophobicContact CG-CG 4.46Å; P215-K218 PolarHBondContact O-N 3.37Å; P215-V219 PolarHBondContact O-N 2.92Å | ||
| 216 | F | 92.3 | Very high | 93.4 | Very high | 106 Ų | 106 | 79 Ų | 79 | 47% | 0.465 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -47.5 | -44.2 | -175.2 | 177.6 | -108.5 | 0 | 0 | 0 | 114.4 | P202 W206 I214 K218 V219 | P202-F216 HydrophobicContact CB-CE2 4.32Å; P202-F216 HydrophobicContact CB-CZ 3.89Å; P202-F216 WeakPolarHBondContact O-CE2 3.48Å; W206-F216 HydrophobicContact CB-CD2 3.97Å; W206-F216 HydrophobicContact CB-CE2 4.17Å; I214-F216 PolarHBondContact O-N 3.05Å; F216-K218 PolarHBondContact O-N 2.92Å; F216-V219 WeakPolarHBondContact O-CB 3.38Å; F216-V219 PolarHBondContact O-N 3.41Å |
| 217 | H | 92.2 | Very high | 93.1 | Very high | 124 Ų | 124 | 74.2 Ų | 74.2 | 57% | 0.574 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -67.2 | -19.3 | -179.6 | 66.2 | -89.2 | 0 | 0 | 0 | 114.1 | P215 F221 | P215-H217 VanDerWaalsContact C-N 3.27Å; P215-H217 VanDerWaalsContact CB-CE1 3.48Å; P215-H217 WeakPolarHBondContact CB-CE1 3.41Å; P215-H217 PolarHBondContact O-N 3.49Å; P215-H217 VanDerWaalsContact O-N 3.07Å; H217-F221 WeakPolarHBondContact O-CE2 3.41Å |
| 218 | K | 94.5 | Very high | 93 | Very high | 116 Ų | 116 | 74.4 Ų | 74.4 | 50% | 0.504 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -91.6 | -16.6 | 178.2 | -61.3 | -168.6 | -178.9 | 177 | 0 | 113.1 | I214 P215 F216 F221 H222 | I214-K218 HydrophobicContact CG2-CB 3.78Å; P215-K218 HydrophobicContact CB-CG 4.4Å; P215-K218 HydrophobicContact CG-CD 4.16Å; P215-K218 HydrophobicContact CG-CG 4.46Å; P215-K218 PolarHBondContact O-N 3.37Å; F216-K218 PolarHBondContact O-N 2.92Å; K218-F221 PolarHBondContact O-N 3.46Å; K218-H222 PolarHBondContact O-N 2.91Å |
| 219 | V | 94 | Very high | 93 | Very high | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55.8 | -45.3 | -177.6 | 176.3 | 0 | 0 | 0 | 0 | 112.9 | Y205 Y208 I214 P215 F216 F221 H222 L223 | Y205-V219 HydrophobicContact CD1-CB 4.19Å; Y205-V219 HydrophobicContact CD1-CG1 3.61Å; Y205-V219 HydrophobicContact CE1-CG1 4.39Å; Y205-V219 HydrophobicContact CG-CG1 4.11Å; Y208-V219 HydrophobicContact CD1-CG1 3.57Å; Y208-V219 HydrophobicContact CE1-CG1 4.12Å; I214-V219 HydrophobicContact CB-CG2 4.3Å; I214-V219 HydrophobicContact CG2-CG2 3.96Å; P215-V219 PolarHBondContact O-N 2.92Å; F216-V219 WeakPolarHBondContact O-CB 3.38Å; F216-V219 PolarHBondContact O-N 3.41Å; V219-F221 PolarHBondContact O-N 3.34Å; V219-H222 PolarHBondContact O-N 2.98Å; V219-H222 VanDerWaalsContact O-N 3.11Å; V219-L223 HydrophobicContact CG1-CD1 3.82Å; V219-L223 HydrophobicContact CG1-CG 4.22Å; V219-L223 WeakPolarHBondContact O-CG 3.37Å; V219-L223 PolarHBondContact O-N 3.32Å |
| 220 | P | 93.3 | Very high | 92.8 | Very high | 49 Ų | 49 | 80.4 Ų | 80.4 | 32% | 0.318 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61 | -29.6 | 178.3 | -22.8 | 33.7 | 0 | 0 | 0 | 113.8 | Y205 N228 | Y205-P220 HydrophobicContact CD1-CG 3.97Å; Y205-P220 HydrophobicContact CE1-CB 4.19Å; Y205-P220 HydrophobicContact CE1-CG 3.92Å; P220-N228 PolarHBondContact O-ND2 2.85Å |
| 221 | F | 93.8 | Very high | 92.7 | Very high | 182 Ų | 182 | 76.1 Ų | 76.1 | 80% | 0.798 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -85.2 | -21.1 | 179.4 | -55.9 | -78.2 | 0 | 0 | 0 | 112.8 | H217 K218 V219 | H217-F221 WeakPolarHBondContact O-CE2 3.41Å; K218-F221 PolarHBondContact O-N 3.46Å; V219-F221 PolarHBondContact O-N 3.34Å |
| 222 | H | 92.2 | Very high | 92.8 | Very high | 104 Ų | 104 | 78.2 Ų | 78.2 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -79.8 | -36.3 | 173.4 | -173.3 | -94.6 | 0 | 0 | 0 | 112.1 | Y208 I214 K218 V219 | Y208-H222 AromaticContact CE1-ND1 3.85Å; Y208-H222 AromaticContact CZ-ND1 3.92Å; Y208-H222 PolarHBondContact OH-CE1 3.27Å; Y208-H222 PolarHBondContact OH-ND1 3.48Å; Y208-H222 VanDerWaalsContact OH-ND1 3.07Å; I214-H222 HydrophobicContact CD1-CB 3.97Å; I214-H222 VanDerWaalsContact CD1-CD2 3.47Å; I214-H222 WeakPolarHBondContact CD1-CD2 3.48Å; I214-H222 WeakPolarHBondContact CD1-ND1 3.36Å; K218-H222 PolarHBondContact O-N 2.91Å; V219-H222 PolarHBondContact O-N 2.98Å; V219-H222 VanDerWaalsContact O-N 3.11Å |
| 223 | L | 90 | Very high | 92.8 | Very high | 22 Ų | 22 | 78.1 Ų | 78.1 | 12% | 0.115 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -69.8 | 142.6 | 179.5 | -72.7 | 169.8 | 0 | 0 | 0 | 111.4 | Y205 Y208 V219 L225 N228 | Y205-L223 HydrophobicContact CD1-CD1 4.12Å; Y205-L223 HydrophobicContact CE1-CD1 3.68Å; Y208-L223 HydrophobicContact CD1-CD2 4.3Å; Y208-L223 HydrophobicContact CD2-CD2 4.38Å; Y208-L223 HydrophobicContact CE1-CD2 3.78Å; Y208-L223 HydrophobicContact CE1-CG 4.14Å; Y208-L223 HydrophobicContact CE2-CD2 3.87Å; V219-L223 HydrophobicContact CG1-CD1 3.82Å; V219-L223 HydrophobicContact CG1-CG 4.22Å; V219-L223 WeakPolarHBondContact O-CG 3.37Å; V219-L223 PolarHBondContact O-N 3.32Å; L223-L225 PolarHBondContact O-N 3.24Å; L223-N228 PolarHBondContact O-ND2 3Å |
| 224 | P | 90.5 | Very high | 92.8 | Very high | 64 Ų | 64 | 73.3 Ų | 73.3 | 42% | 0.416 | 38% | 0.383 | S | S | . | . | trans | -53.7 | 142.2 | 169.7 | -25.3 | 34.3 | 0 | 0 | 0 | 111.8 | H226 C227 N228 | P224-H226 WeakPolarHBondContact CB-CE1 3.2Å; P224-H226 WeakPolarHBondContact CB-ND1 3.28Å; P224-H226 PolarHBondContact O-N 3.35Å; P224-H226 VanDerWaalsContact O-N 3.13Å; P224-C227 WeakPolarHBondContact O-CB 3.31Å; P224-C227 PolarHBondContact O-N 3.15Å; P224-N228 PolarHBondContact O-N 2.94Å | ||
| 225 | L | 90.9 | Very high | 92.8 | Very high | 125 Ų | 125 | 73.4 Ų | 73.4 | 65% | 0.654 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -54.2 | -39.1 | -176.9 | 179.7 | 61.9 | 0 | 0 | 0 | 112.6 | L223 C227 N228 L229 | L223-L225 PolarHBondContact O-N 3.24Å; L225-C227 VanDerWaalsContact C-N 3.29Å; L225-C227 PolarHBondContact O-N 3.45Å; L225-N228 PolarHBondContact O-N 3.5Å; L225-L229 HydrophobicContact CD1-CD1 4.39Å; L225-L229 HydrophobicContact CD1-CG 4.22Å; L225-L229 HydrophobicContact CD2-CD1 4.41Å; L225-L229 HydrophobicContact CG-CD1 3.93Å; L225-L229 HydrophobicContact CG-CG 4.22Å; L225-L229 WeakPolarHBondContact O-CG 3.14Å; L225-L229 PolarHBondContact O-N 2.81Å |
| 226 | H | 89.7 | Confident | 92.9 | Very high | 112 Ų | 112 | 72.8 Ų | 72.8 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.9 | -32.8 | 179.8 | 64.8 | -95.4 | 0 | 0 | 0 | 112.9 | P224 L229 A230 | P224-H226 WeakPolarHBondContact CB-CE1 3.2Å; P224-H226 WeakPolarHBondContact CB-ND1 3.28Å; P224-H226 PolarHBondContact O-N 3.35Å; P224-H226 VanDerWaalsContact O-N 3.13Å; H226-L229 PolarHBondContact O-N 3.47Å; H226-A230 VanDerWaalsContact O-CB 3.26Å; H226-A230 WeakPolarHBondContact O-CB 3.3Å; H226-A230 PolarHBondContact O-N 3.3Å |
| 227 | C | 89.8 | Confident | 93 | Very high | 29 Ų | 29 | 69.6 Ų | 69.6 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 174.9 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | P224 L225 A230 N231 | P224-C227 WeakPolarHBondContact O-CB 3.31Å; P224-C227 PolarHBondContact O-N 3.15Å; L225-C227 VanDerWaalsContact C-N 3.29Å; L225-C227 PolarHBondContact O-N 3.45Å; C227-A230 PolarHBondContact O-N 3.23Å; C227-N231 WeakPolarHBondContact O-CB 3.2Å; C227-N231 PolarHBondContact O-N 3.41Å; C227-N231 PolarHBondContact O-ND2 3.14Å |
| 228 | N | 93.4 | Very high | 93.1 | Very high | 31 Ų | 31 | 64.3 Ų | 64.3 | 17% | 0.166 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 176.4 | -70.1 | -55.7 | 0 | 0 | 0 | 111.8 | Y205 P220 L223 P224 L225 N231 L232 | Y205-N228 WeakPolarHBondContact CE1-OD1 3.14Å; Y205-N228 PolarHBondContact OH-OD1 3.34Å; P220-N228 PolarHBondContact O-ND2 2.85Å; L223-N228 PolarHBondContact O-ND2 3Å; P224-N228 PolarHBondContact O-N 2.94Å; L225-N228 PolarHBondContact O-N 3.5Å; N228-N231 PolarHBondContact O-N 3.22Å; N228-L232 WeakPolarHBondContact O-CB 3.48Å; N228-L232 PolarHBondContact O-N 3.32Å |
| 229 | L | 94.2 | Very high | 93.2 | Very high | 99 Ų | 99 | 62.4 Ų | 62.4 | 52% | 0.518 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 176 | -69.6 | 175.8 | 0 | 0 | 0 | 111.7 | L225 H226 L232 S233 | L225-L229 HydrophobicContact CD1-CD1 4.39Å; L225-L229 HydrophobicContact CD1-CG 4.22Å; L225-L229 HydrophobicContact CD2-CD1 4.41Å; L225-L229 HydrophobicContact CG-CD1 3.93Å; L225-L229 HydrophobicContact CG-CG 4.22Å; L225-L229 WeakPolarHBondContact O-CG 3.14Å; L225-L229 PolarHBondContact O-N 2.81Å; H226-L229 PolarHBondContact O-N 3.47Å; L229-L232 PolarHBondContact O-N 3.39Å; L229-S233 WeakPolarHBondContact O-CB 3.31Å; L229-S233 PolarHBondContact O-N 3.46Å; L229-S233 PolarHBondContact O-OG 2.96Å |
| 230 | A | 91.8 | Very high | 93.4 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 37% | 0.372 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.5 | -51.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | H226 C227 L232 S233 I234 | H226-A230 VanDerWaalsContact O-CB 3.26Å; H226-A230 WeakPolarHBondContact O-CB 3.3Å; H226-A230 PolarHBondContact O-N 3.3Å; C227-A230 PolarHBondContact O-N 3.23Å; A230-L232 VanDerWaalsContact C-N 3.34Å; A230-L232 PolarHBondContact O-N 3.22Å; A230-S233 PolarHBondContact O-N 2.9Å; A230-S233 VanDerWaalsContact O-N 3.15Å; A230-S233 PolarHBondContact O-OG 2.8Å; A230-I234 WeakPolarHBondContact O-CG1 3.36Å; A230-I234 PolarHBondContact O-N 3.44Å |
| 231 | N | 93.7 | Very high | 93.5 | Very high | 29 Ų | 29 | 67.9 Ų | 67.9 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 177.3 | -75.6 | -26.3 | 0 | 0 | 0 | 112.4 | F201 Y205 C227 N228 S233 I234 L235 | F201-N231 HydrophobicContact CD1-CB 4.01Å; F201-N231 HydrophobicContact CE1-CB 4.06Å; F201-N231 WeakPolarHBondContact CE1-O 3.3Å; Y205-N231 HydrophobicContact CE2-CB 4.41Å; Y205-N231 VanDerWaalsContact CE2-ND2 3.28Å; Y205-N231 WeakPolarHBondContact CE2-ND2 3.42Å; Y205-N231 PolarHBondContact OH-ND2 3.06Å; Y205-N231 VanDerWaalsContact OH-ND2 3.12Å; C227-N231 WeakPolarHBondContact O-CB 3.2Å; C227-N231 PolarHBondContact O-N 3.41Å; C227-N231 PolarHBondContact O-ND2 3.14Å; N228-N231 PolarHBondContact O-N 3.22Å; N231-S233 PolarHBondContact O-N 2.88Å; N231-I234 PolarHBondContact O-N 2.91Å; N231-L235 VanDerWaalsContact O-CB 3.31Å; N231-L235 WeakPolarHBondContact O-CB 3.23Å; N231-L235 PolarHBondContact O-N 3.25Å |
| 232 | L | 95.4 | Very high | 93.6 | Very high | 104 Ų | 104 | 61.1 Ų | 61.1 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 177.1 | -178 | 61.1 | 0 | 0 | 0 | 111.8 | N228 L229 A230 I234 L235 A236 | N228-L232 WeakPolarHBondContact O-CB 3.48Å; N228-L232 PolarHBondContact O-N 3.32Å; L229-L232 PolarHBondContact O-N 3.39Å; A230-L232 VanDerWaalsContact C-N 3.34Å; A230-L232 PolarHBondContact O-N 3.22Å; L232-I234 VanDerWaalsContact C-N 3.28Å; L232-I234 PolarHBondContact O-N 3.14Å; L232-L235 PolarHBondContact O-N 2.87Å; L232-A236 VanDerWaalsContact O-CB 3.3Å; L232-A236 WeakPolarHBondContact O-CB 3.08Å; L232-A236 PolarHBondContact O-N 3.47Å |
| 233 | S | 94.3 | Very high | 93.9 | Very high | 78 Ų | 78 | 59.1 Ų | 59.1 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.7 | -30.5 | 178.1 | 70.9 | 0 | 0 | 0 | 0 | 113.1 | L229 A230 N231 P237 | L229-S233 WeakPolarHBondContact O-CB 3.31Å; L229-S233 PolarHBondContact O-N 3.46Å; L229-S233 PolarHBondContact O-OG 2.96Å; A230-S233 PolarHBondContact O-N 2.9Å; A230-S233 VanDerWaalsContact O-N 3.15Å; A230-S233 PolarHBondContact O-OG 2.8Å; N231-S233 PolarHBondContact O-N 2.88Å; S233-P237 WeakPolarHBondContact O-CD 3.35Å |
| 234 | I | 93.8 | Very high | 94.1 | Very high | 30 Ų | 30 | 61.9 Ų | 61.9 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.2 | -41.2 | 173.6 | -58.5 | 168 | 0 | 0 | 0 | 110.7 | F135 F155 F201 A230 N231 L232 P237 Q238 | F135-I234 HydrophobicContact CE1-CD1 3.68Å; F135-I234 HydrophobicContact CE1-CG1 4.23Å; F135-I234 HydrophobicContact CZ-CD1 3.62Å; F135-I234 HydrophobicContact CZ-CG1 3.66Å; F155-I234 HydrophobicContact CE1-CD1 4.07Å; F155-I234 HydrophobicContact CE1-CG2 4.36Å; F155-I234 HydrophobicContact CE2-CD1 4.29Å; F155-I234 HydrophobicContact CZ-CD1 3.78Å; F201-I234 HydrophobicContact CE1-CB 4.19Å; F201-I234 HydrophobicContact CE1-CG2 4.41Å; F201-I234 HydrophobicContact CZ-CB 3.87Å; F201-I234 HydrophobicContact CZ-CG2 3.69Å; A230-I234 WeakPolarHBondContact O-CG1 3.36Å; A230-I234 PolarHBondContact O-N 3.44Å; N231-I234 PolarHBondContact O-N 2.91Å; L232-I234 VanDerWaalsContact C-N 3.28Å; L232-I234 PolarHBondContact O-N 3.14Å; I234-P237 VanDerWaalsContact O-CD 3.31Å; I234-P237 WeakPolarHBondContact O-CD 3.36Å; I234-P237 VanDerWaalsContact O-CG 3.3Å; I234-P237 WeakPolarHBondContact O-CG 3.47Å; I234-Q238 WeakPolarHBondContact O-CG 3.48Å |
| 235 | L | 95.6 | Very high | 94.3 | Very high | 30 Ų | 30 | 60.7 Ų | 60.7 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.9 | -37.6 | -177.6 | 175.7 | 58.8 | 0 | 0 | 0 | 112.7 | I198 F201 N231 L232 Q238 I239 | I198-L235 HydrophobicContact CG2-CD1 4.48Å; F201-L235 HydrophobicContact CB-CD2 4.31Å; F201-L235 HydrophobicContact CD1-CB 4.13Å; F201-L235 HydrophobicContact CD2-CB 4.05Å; F201-L235 HydrophobicContact CD2-CD1 3.59Å; F201-L235 HydrophobicContact CD2-CD2 4.37Å; F201-L235 HydrophobicContact CD2-CG 4.19Å; F201-L235 HydrophobicContact CE1-CB 3.93Å; F201-L235 HydrophobicContact CE2-CB 3.83Å; F201-L235 HydrophobicContact CE2-CD1 3.81Å; F201-L235 HydrophobicContact CE2-CG 4.34Å; F201-L235 HydrophobicContact CG-CB 4.18Å; F201-L235 HydrophobicContact CG-CD1 4.22Å; F201-L235 HydrophobicContact CG-CD2 4.17Å; F201-L235 HydrophobicContact CG-CG 4.41Å; F201-L235 HydrophobicContact CZ-CB 3.77Å; N231-L235 VanDerWaalsContact O-CB 3.31Å; N231-L235 WeakPolarHBondContact O-CB 3.23Å; N231-L235 PolarHBondContact O-N 3.25Å; L232-L235 PolarHBondContact O-N 2.87Å; L235-Q238 WeakPolarHBondContact O-CA 3.28Å; L235-Q238 VanDerWaalsContact O-CB 3.31Å; L235-Q238 WeakPolarHBondContact O-CB 3.4Å; L235-Q238 PolarHBondContact O-N 3.17Å; L235-I239 HydrophobicContact CD1-CD1 4.05Å; L235-I239 HydrophobicContact CD1-CG1 3.83Å; L235-I239 HydrophobicContact CD2-CD1 4.08Å; L235-I239 HydrophobicContact CG-CD1 3.72Å; L235-I239 HydrophobicContact CG-CG1 4Å; L235-I239 PolarHBondContact O-N 2.9Å |
| 236 | A | 95.7 | Very high | 94.5 | Very high | 50 Ų | 50 | 56.9 Ų | 56.9 | 41% | 0.413 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -51.9 | -51.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | L232 Q238 I239 Y240 | L232-A236 VanDerWaalsContact O-CB 3.3Å; L232-A236 WeakPolarHBondContact O-CB 3.08Å; L232-A236 PolarHBondContact O-N 3.47Å; A236-Q238 VanDerWaalsContact C-N 3.26Å; A236-Q238 PolarHBondContact O-N 3.07Å; A236-I239 PolarHBondContact O-N 3.35Å; A236-Y240 PolarHBondContact O-N 3.35Å |
| 237 | P | 93.5 | Very high | 94.8 | Very high | 39 Ų | 39 | 57 Ų | 57 | 25% | 0.253 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.8 | -30.8 | 175.7 | 24.6 | -34.2 | 0 | 0 | 0 | 112.8 | S233 I234 Y240 W241 | S233-P237 WeakPolarHBondContact O-CD 3.35Å; I234-P237 VanDerWaalsContact O-CD 3.31Å; I234-P237 WeakPolarHBondContact O-CD 3.36Å; I234-P237 VanDerWaalsContact O-CG 3.3Å; I234-P237 WeakPolarHBondContact O-CG 3.47Å; P237-Y240 PolarHBondContact O-N 3.47Å; P237-W241 HydrophobicContact CB-CE3 4.38Å; P237-W241 HydrophobicContact CB-CZ3 4.18Å; P237-W241 VanDerWaalsContact O-CE3 3.26Å; P237-W241 PolarHBondContact O-N 3.27Å |
| 238 | Q | 95.9 | Very high | 94.9 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.9 | -46.8 | 175.7 | -48.3 | -61.5 | -14.8 | 0 | 0 | 111.3 | F193 R197 I234 L235 A236 Y240 W241 F242 | F193-Q238 HydrophobicContact CE1-CB 4.23Å; F193-Q238 VanDerWaalsContact CE1-O 3.24Å; F193-Q238 WeakPolarHBondContact CE1-O 3.31Å; R197-Q238 HydrophobicContact CB-CB 4.34Å; R197-Q238 HydrophobicContact CB-CG 4.41Å; I234-Q238 WeakPolarHBondContact O-CG 3.48Å; L235-Q238 WeakPolarHBondContact O-CA 3.28Å; L235-Q238 VanDerWaalsContact O-CB 3.31Å; L235-Q238 WeakPolarHBondContact O-CB 3.4Å; L235-Q238 PolarHBondContact O-N 3.17Å; A236-Q238 VanDerWaalsContact C-N 3.26Å; A236-Q238 PolarHBondContact O-N 3.07Å; Q238-Y240 VanDerWaalsContact C-N 3.31Å; Q238-Y240 PolarHBondContact O-N 2.87Å; Q238-W241 PolarHBondContact O-N 2.86Å; Q238-F242 WeakPolarHBondContact O-CB 3.34Å; Q238-F242 PolarHBondContact O-N 3.27Å |
| 239 | I | 96.9 | Very high | 94.7 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 175.3 | -66.4 | 174.8 | 0 | 0 | 0 | 110.1 | L235 A236 W241 F242 V243 | L235-I239 HydrophobicContact CD1-CD1 4.05Å; L235-I239 HydrophobicContact CD1-CG1 3.83Å; L235-I239 HydrophobicContact CD2-CD1 4.08Å; L235-I239 HydrophobicContact CG-CD1 3.72Å; L235-I239 HydrophobicContact CG-CG1 4Å; L235-I239 PolarHBondContact O-N 2.9Å; A236-I239 PolarHBondContact O-N 3.35Å; I239-W241 PolarHBondContact O-N 3.16Å; I239-F242 PolarHBondContact O-N 2.97Å; I239-V243 HydrophobicContact CG2-CG2 4.45Å; I239-V243 WeakPolarHBondContact O-CG2 3.17Å; I239-V243 PolarHBondContact O-N 2.86Å |
| 240 | Y | 96.4 | Very high | 94.6 | Very high | 127 Ų | 127 | 61.8 Ų | 61.8 | 50% | 0.498 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57 | -49.3 | 177.9 | 174.3 | -102.4 | 0 | 0 | 0 | 112.2 | L123 A236 P237 Q238 F242 V243 L244 | L123-Y240 HydrophobicContact CD1-CD1 3.78Å; L123-Y240 HydrophobicContact CD1-CE1 3.72Å; A236-Y240 PolarHBondContact O-N 3.35Å; P237-Y240 PolarHBondContact O-N 3.47Å; Q238-Y240 VanDerWaalsContact C-N 3.31Å; Q238-Y240 PolarHBondContact O-N 2.87Å; Y240-F242 VanDerWaalsContact C-N 3.33Å; Y240-F242 PolarHBondContact O-N 3.38Å; Y240-V243 PolarHBondContact O-N 3.05Å; Y240-L244 HydrophobicContact CD1-CD1 4.1Å; Y240-L244 HydrophobicContact CE1-CD1 3.44Å; Y240-L244 VanDerWaalsContact CE1-CD1 3.44Å; Y240-L244 HydrophobicContact CE1-CG 4.21Å; Y240-L244 HydrophobicContact CE2-CD1 4.47Å; Y240-L244 HydrophobicContact CE2-CG 4.49Å; Y240-L244 WeakPolarHBondContact O-CG 3.48Å; Y240-L244 PolarHBondContact O-N 2.82Å; Y240-L244 VanDerWaalsContact O-N 3.07Å |
| 241 | W | 95.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 67.2 Ų | 67.2 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.7 | -40 | 176.4 | -79.4 | -42.5 | 0 | 0 | 0 | 113 | L123 L124 H127 F193 P237 Q238 I239 L244 L245 | L123-W241 HydrophobicContact CD2-CD2 4.12Å; L123-W241 HydrophobicContact CD2-CH2 4.07Å; L123-W241 HydrophobicContact CD2-CZ2 3.07Å; L123-W241 HydrophobicContact CG-CZ2 4.42Å; L124-W241 HydrophobicContact CD2-CZ2 4.06Å; H127-W241 HydrophobicContact CB-CH2 4.09Å; H127-W241 AromaticContact CG-CH2 3.78Å; H127-W241 AromaticContact ND1-CH2 3.8Å; F193-W241 HydrophobicContact CE1-CB 4.21Å; F193-W241 HydrophobicContact CE2-CB 4.22Å; F193-W241 HydrophobicContact CZ-CB 3.53Å; F193-W241 HydrophobicContact CZ-CE3 4.19Å; F193-W241 HydrophobicContact CZ-CG 4.38Å; P237-W241 HydrophobicContact CB-CE3 4.38Å; P237-W241 HydrophobicContact CB-CZ3 4.18Å; P237-W241 VanDerWaalsContact O-CE3 3.26Å; P237-W241 PolarHBondContact O-N 3.27Å; Q238-W241 PolarHBondContact O-N 2.86Å; I239-W241 PolarHBondContact O-N 3.16Å; W241-L244 WeakPolarHBondContact O-CB 3.32Å; W241-L244 PolarHBondContact O-N 3.22Å; W241-L245 WeakPolarHBondContact O-CG 3.48Å; W241-L245 PolarHBondContact O-N 2.92Å |
| 242 | F | 96.9 | Very high | 94.1 | Very high | 40 Ų | 40 | 69 Ų | 69 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 178.1 | -175 | -112 | 0 | 0 | 0 | 112 | L190 F193 F194 I198 Q238 I239 Y240 L244 L245 C246 | L190-F242 HydrophobicContact CD2-CE2 4.25Å; F193-F242 HydrophobicContact CB-CD2 4.22Å; F193-F242 HydrophobicContact CD1-CB 3.85Å; F193-F242 AromaticContact CD1-CD2 3.82Å; F193-F242 HydrophobicContact CD1-CD2 3.82Å; F193-F242 HydrophobicContact CD1-CG 4.25Å; F193-F242 HydrophobicContact CE1-CB 3.91Å; F193-F242 HydrophobicContact CG-CD2 4.28Å; F194-F242 HydrophobicContact CB-CE2 3.86Å; F194-F242 HydrophobicContact CB-CZ 3.94Å; F194-F242 HydrophobicContact CD2-CE1 4.15Å; F194-F242 HydrophobicContact CD2-CZ 4.03Å; F194-F242 HydrophobicContact CG-CZ 4.31Å; I198-F242 HydrophobicContact CD1-CB 3.6Å; I198-F242 HydrophobicContact CD1-CD1 3.49Å; I198-F242 VanDerWaalsContact CD1-CD1 3.49Å; I198-F242 HydrophobicContact CD1-CD2 4.15Å; I198-F242 HydrophobicContact CD1-CE1 4.17Å; I198-F242 HydrophobicContact CD1-CG 3.47Å; I198-F242 VanDerWaalsContact CD1-CG 3.47Å; Q238-F242 WeakPolarHBondContact O-CB 3.34Å; Q238-F242 PolarHBondContact O-N 3.27Å; I239-F242 PolarHBondContact O-N 2.97Å; Y240-F242 VanDerWaalsContact C-N 3.33Å; Y240-F242 PolarHBondContact O-N 3.38Å; F242-L244 VanDerWaalsContact C-N 3.33Å; F242-L244 PolarHBondContact O-N 3.05Å; F242-L245 WeakPolarHBondContact O-CB 3.48Å; F242-L245 PolarHBondContact O-N 3.45Å; F242-C246 PolarHBondContact O-N 2.9Å; F242-C246 PolarHBondContact O-SG 3.19Å |
| 243 | V | 97 | Very high | 93.6 | Very high | 63 Ų | 63 | 71 Ų | 71 | 38% | 0.382 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 173.1 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | I239 Y240 L245 C246 H247 | I239-V243 HydrophobicContact CG2-CG2 4.45Å; I239-V243 WeakPolarHBondContact O-CG2 3.17Å; I239-V243 PolarHBondContact O-N 2.86Å; Y240-V243 PolarHBondContact O-N 3.05Å; V243-L245 VanDerWaalsContact C-N 3.33Å; V243-L245 PolarHBondContact O-N 3.32Å; V243-C246 PolarHBondContact O-N 2.87Å; V243-H247 WeakPolarHBondContact O-CB 3.5Å; V243-H247 PolarHBondContact O-N 3.18Å |
| 244 | L | 94.9 | Very high | 93.2 | Very high | 80 Ų | 80 | 71 Ų | 71 | 42% | 0.419 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 175.2 | -69.1 | -179.6 | 0 | 0 | 0 | 112.7 | Y240 W241 F242 K248 | Y240-L244 HydrophobicContact CD1-CD1 4.1Å; Y240-L244 HydrophobicContact CE1-CD1 3.44Å; Y240-L244 VanDerWaalsContact CE1-CD1 3.44Å; Y240-L244 HydrophobicContact CE1-CG 4.21Å; Y240-L244 HydrophobicContact CE2-CD1 4.47Å; Y240-L244 HydrophobicContact CE2-CG 4.49Å; Y240-L244 WeakPolarHBondContact O-CG 3.48Å; Y240-L244 PolarHBondContact O-N 2.82Å; Y240-L244 VanDerWaalsContact O-N 3.07Å; W241-L244 WeakPolarHBondContact O-CB 3.32Å; W241-L244 PolarHBondContact O-N 3.22Å; F242-L244 VanDerWaalsContact C-N 3.33Å; F242-L244 PolarHBondContact O-N 3.05Å; L244-K248 WeakPolarHBondContact O-CB 3.44Å; L244-K248 PolarHBondContact O-N 3.04Å |
| 245 | L | 94.8 | Very high | 92.7 | Very high | 39 Ų | 39 | 78.3 Ų | 78.3 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 175.7 | -72.1 | 170.2 | 0 | 0 | 0 | 111.3 | V189 L190 F193 W241 F242 V243 K248 A249 | V189-L245 HydrophobicContact CG1-CD1 3.94Å; V189-L245 HydrophobicContact CG1-CD2 4.01Å; L190-L245 HydrophobicContact CD2-CB 3.93Å; F193-L245 HydrophobicContact CB-CD1 4.35Å; F193-L245 HydrophobicContact CD2-CD1 3.54Å; F193-L245 HydrophobicContact CE2-CD1 3.94Å; F193-L245 HydrophobicContact CG-CD1 3.88Å; W241-L245 WeakPolarHBondContact O-CG 3.48Å; W241-L245 PolarHBondContact O-N 2.92Å; F242-L245 WeakPolarHBondContact O-CB 3.48Å; F242-L245 PolarHBondContact O-N 3.45Å; V243-L245 VanDerWaalsContact C-N 3.33Å; V243-L245 PolarHBondContact O-N 3.32Å; L245-K248 WeakPolarHBondContact O-CB 3.47Å; L245-K248 PolarHBondContact O-N 3.44Å; L245-A249 WeakPolarHBondContact O-CB 3.45Å; L245-A249 PolarHBondContact O-N 2.9Å |
| 246 | C | 95.8 | Very high | 92 | Very high | 45 Ų | 45 | 80 Ų | 80 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.4 | -67.7 | 0 | 0 | 0 | 0 | 111.4 | F242 V243 K248 A249 Y250 | F242-C246 PolarHBondContact O-N 2.9Å; F242-C246 PolarHBondContact O-SG 3.19Å; V243-C246 PolarHBondContact O-N 2.87Å; C246-K248 VanDerWaalsContact C-N 3.32Å; C246-K248 PolarHBondContact O-N 3.14Å; C246-A249 PolarHBondContact O-N 3.44Å; C246-Y250 WeakPolarHBondContact O-CB 3.32Å; C246-Y250 PolarHBondContact O-N 3.07Å |
| 247 | H | 95 | Very high | 91.2 | Very high | 113 Ų | 113 | 81 Ų | 81 | 52% | 0.523 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 174.6 | -76.3 | -176.1 | 0 | 0 | 0 | 112.3 | V243 R251 | V243-H247 WeakPolarHBondContact O-CB 3.5Å; V243-H247 PolarHBondContact O-N 3.18Å; H247-R251 WeakPolarHBondContact O-CG 3.4Å; H247-R251 PolarHBondContact O-N 2.8Å |
| 248 | K | 91.4 | Very high | 90.5 | Very high | 81 Ų | 81 | 87.8 Ų | 87.8 | 35% | 0.352 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 174.6 | -172.2 | -171.3 | 175.7 | -161.3 | 0 | 110.9 | L244 L245 C246 R251 L252 | L244-K248 WeakPolarHBondContact O-CB 3.44Å; L244-K248 PolarHBondContact O-N 3.04Å; L245-K248 WeakPolarHBondContact O-CB 3.47Å; L245-K248 PolarHBondContact O-N 3.44Å; C246-K248 VanDerWaalsContact C-N 3.32Å; C246-K248 PolarHBondContact O-N 3.14Å; K248-R251 PolarHBondContact O-N 2.95Å; K248-L252 HydrophobicContact CG-CD1 4.44Å; K248-L252 WeakPolarHBondContact O-CG 3.37Å; K248-L252 PolarHBondContact O-N 3.04Å; K248-L252 VanDerWaalsContact O-N 3.1Å |
| 249 | A | 90.4 | Very high | 89.6 | Confident | 39 Ų | 39 | 90 Ų | 90 | 32% | 0.322 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L190 L245 C246 R251 L252 Y253 | L190-A249 HydrophobicContact CD1-CB 4Å; L245-A249 WeakPolarHBondContact O-CB 3.45Å; L245-A249 PolarHBondContact O-N 2.9Å; C246-A249 PolarHBondContact O-N 3.44Å; A249-R251 PolarHBondContact O-N 2.83Å; A249-L252 PolarHBondContact O-N 3.43Å; A249-L252 VanDerWaalsContact O-N 3.17Å; A249-Y253 PolarHBondContact O-N 3.31Å |
| 250 | Y | 91.1 | Very high | 88.6 | Confident | 141 Ų | 141 | 93.4 Ų | 93.4 | 55% | 0.553 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.4 | -44.1 | 176.8 | -178.1 | -115.2 | 0 | 0 | 0 | 112.3 | C246 L252 Y253 L254 | C246-Y250 WeakPolarHBondContact O-CB 3.32Å; C246-Y250 PolarHBondContact O-N 3.07Å; Y250-L252 VanDerWaalsContact C-N 3.32Å; Y250-L252 PolarHBondContact O-N 3.24Å; Y250-Y253 WeakPolarHBondContact O-CB 3.19Å; Y250-Y253 PolarHBondContact O-N 2.78Å; Y250-L254 HydrophobicContact CD1-CD1 3.96Å; Y250-L254 HydrophobicContact CD1-CG 4.49Å; Y250-L254 HydrophobicContact CE1-CD1 3.43Å; Y250-L254 VanDerWaalsContact CE1-CD1 3.43Å; Y250-L254 HydrophobicContact CE1-CG 4.12Å; Y250-L254 HydrophobicContact CE2-CD1 4.33Å; Y250-L254 HydrophobicContact CE2-CD2 4.24Å; Y250-L254 HydrophobicContact CE2-CG 4.14Å; Y250-L254 WeakPolarHBondContact O-CG 3.38Å; Y250-L254 PolarHBondContact O-N 2.93Å |
| 251 | R | 89.3 | Confident | 87.6 | Confident | 158 Ų | 158 | 89.4 Ų | 89.4 | 60% | 0.596 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.3 | -37.7 | 175.2 | -75.2 | -168.9 | -59.3 | -174.8 | 0.5 | 112.9 | H247 K248 A249 R255 | H247-R251 WeakPolarHBondContact O-CG 3.4Å; H247-R251 PolarHBondContact O-N 2.8Å; K248-R251 PolarHBondContact O-N 2.95Å; A249-R251 PolarHBondContact O-N 2.83Å; R251-R255 WeakPolarHBondContact O-CG 3.26Å; R251-R255 PolarHBondContact O-N 3.47Å |
| 252 | L | 85.5 | Confident | 86.4 | Confident | 67 Ų | 67 | 93.4 Ų | 93.4 | 35% | 0.351 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 176.3 | -70.2 | 171.1 | 0 | 0 | 0 | 111.2 | K248 A249 Y250 R255 Q256 | K248-L252 HydrophobicContact CG-CD1 4.44Å; K248-L252 WeakPolarHBondContact O-CG 3.37Å; K248-L252 PolarHBondContact O-N 3.04Å; K248-L252 VanDerWaalsContact O-N 3.1Å; A249-L252 PolarHBondContact O-N 3.43Å; A249-L252 VanDerWaalsContact O-N 3.17Å; Y250-L252 VanDerWaalsContact C-N 3.32Å; Y250-L252 PolarHBondContact O-N 3.24Å; L252-R255 PolarHBondContact O-N 3.25Å; L252-Q256 WeakPolarHBondContact O-CG 3.47Å; L252-Q256 PolarHBondContact O-N 3.07Å; L252-Q256 VanDerWaalsContact O-N 3.1Å |
| 253 | Y | 85.1 | Confident | 85.1 | Confident | 145 Ų | 145 | 96.4 Ų | 96.4 | 57% | 0.569 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.4 | -49.9 | 174.8 | 177.9 | -103.2 | 0 | 0 | 0 | 111.8 | A249 Y250 R255 Q256 T257 | A249-Y253 PolarHBondContact O-N 3.31Å; Y250-Y253 WeakPolarHBondContact O-CB 3.19Å; Y250-Y253 PolarHBondContact O-N 2.78Å; Y253-R255 VanDerWaalsContact C-N 3.32Å; Y253-R255 PolarHBondContact O-N 3.39Å; Y253-Q256 PolarHBondContact O-N 3.37Å; Y253-Q256 VanDerWaalsContact O-N 3.14Å; Y253-T257 PolarHBondContact O-N 2.63Å; Y253-T257 PolarHBondContact O-OG1 3.37Å; Y253-T257 VanDerWaalsContact O-OG1 3.1Å |
| 254 | L | 86.4 | Confident | 83.6 | Confident | 79 Ų | 79 | 96.6 Ų | 96.6 | 41% | 0.414 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 178.2 | -72.5 | 178.7 | 0 | 0 | 0 | 113.1 | Y250 T257 R258 | Y250-L254 HydrophobicContact CD1-CD1 3.96Å; Y250-L254 HydrophobicContact CD1-CG 4.49Å; Y250-L254 HydrophobicContact CE1-CD1 3.43Å; Y250-L254 VanDerWaalsContact CE1-CD1 3.43Å; Y250-L254 HydrophobicContact CE1-CG 4.12Å; Y250-L254 HydrophobicContact CE2-CD1 4.33Å; Y250-L254 HydrophobicContact CE2-CD2 4.24Å; Y250-L254 HydrophobicContact CE2-CG 4.14Å; Y250-L254 WeakPolarHBondContact O-CG 3.38Å; Y250-L254 PolarHBondContact O-N 2.93Å; L254-T257 PolarHBondContact O-N 3.44Å; L254-R258 WeakPolarHBondContact O-CB 3.48Å; L254-R258 PolarHBondContact O-N 2.91Å |
| 255 | R | 83.6 | Confident | 82.5 | Confident | 183 Ų | 183 | 99.7 Ų | 99.7 | 69% | 0.691 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 176.5 | -75.9 | 176.8 | 178.3 | -168.8 | -2.3 | 111.8 | R251 L252 Y253 R258 S259 | R251-R255 WeakPolarHBondContact O-CG 3.26Å; R251-R255 PolarHBondContact O-N 3.47Å; L252-R255 PolarHBondContact O-N 3.25Å; Y253-R255 VanDerWaalsContact C-N 3.32Å; Y253-R255 PolarHBondContact O-N 3.39Å; R255-R258 PolarHBondContact O-N 3.38Å; R255-S259 WeakPolarHBondContact O-CB 3.48Å; R255-S259 PolarHBondContact O-N 3.36Å |
| 256 | Q | 80.9 | Confident | 81.1 | Confident | 67 Ų | 67 | 104.6 Ų | 104.6 | 31% | 0.313 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 177.4 | -71.4 | 178 | -0.9 | 0 | 0 | 111.7 | L252 Y253 R258 S259 K260 | L252-Q256 WeakPolarHBondContact O-CG 3.47Å; L252-Q256 PolarHBondContact O-N 3.07Å; L252-Q256 VanDerWaalsContact O-N 3.1Å; Y253-Q256 PolarHBondContact O-N 3.37Å; Y253-Q256 VanDerWaalsContact O-N 3.14Å; Q256-R258 VanDerWaalsContact C-N 3.35Å; Q256-R258 PolarHBondContact O-N 2.87Å; Q256-S259 PolarHBondContact O-N 3.12Å; Q256-K260 WeakPolarHBondContact O-CG 3.38Å; Q256-K260 PolarHBondContact O-N 3.42Å |
| 257 | T | 78.8 | Confident | 79.5 | Confident | 70 Ų | 70 | 107.3 Ų | 107.3 | 43% | 0.429 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 177.3 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | Y253 L254 K260 G261 | Y253-T257 PolarHBondContact O-N 2.63Å; Y253-T257 PolarHBondContact O-OG1 3.37Å; Y253-T257 VanDerWaalsContact O-OG1 3.1Å; L254-T257 PolarHBondContact O-N 3.44Å; T257-K260 PolarHBondContact O-N 3.34Å; T257-G261 PolarHBondContact O-N 3.2Å |
| 258 | R | 79.6 | Confident | 77.7 | Confident | 181 Ų | 181 | 103.8 Ų | 103.8 | 68% | 0.683 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 176.2 | -172 | 176.2 | 179.8 | 174.1 | 1.2 | 112.4 | L254 R255 Q256 G261 Q262 | L254-R258 WeakPolarHBondContact O-CB 3.48Å; L254-R258 PolarHBondContact O-N 2.91Å; R255-R258 PolarHBondContact O-N 3.38Å; Q256-R258 VanDerWaalsContact C-N 3.35Å; Q256-R258 PolarHBondContact O-N 2.87Å; R258-G261 PolarHBondContact O-N 2.87Å; R258-Q262 WeakPolarHBondContact O-CG 3.39Å; R258-Q262 PolarHBondContact O-N 3.15Å |
| 259 | S | 77 | Confident | 76.1 | Confident | 60 Ų | 60 | 103.4 Ų | 103.4 | 42% | 0.42 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 176.8 | 175.2 | 0 | 0 | 0 | 0 | 111.9 | R255 Q256 Q262 L263 | R255-S259 WeakPolarHBondContact O-CB 3.48Å; R255-S259 PolarHBondContact O-N 3.36Å; Q256-S259 PolarHBondContact O-N 3.12Å; S259-Q262 PolarHBondContact O-N 2.66Å; S259-L263 PolarHBondContact O-N 2.86Å; S259-L263 VanDerWaalsContact O-N 3.07Å |
| 260 | K | 75.7 | Confident | 74.4 | Confident | 147 Ų | 147 | 109 Ų | 109 | 64% | 0.639 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 174.6 | -73.6 | -176.5 | 177.3 | -173.8 | 0 | 112.7 | Q256 T257 L263 A264 | Q256-K260 WeakPolarHBondContact O-CG 3.38Å; Q256-K260 PolarHBondContact O-N 3.42Å; T257-K260 PolarHBondContact O-N 3.34Å; K260-L263 PolarHBondContact O-N 3.49Å; K260-A264 PolarHBondContact O-N 3.06Å |
| 261 | G | 73.8 | Confident | 72.5 | Confident | 43 Ų | 43 | 107.8 Ų | 107.8 | 44% | 0.443 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T257 R258 H265 | T257-G261 PolarHBondContact O-N 3.2Å; R258-G261 PolarHBondContact O-N 2.87Å; G261-H265 PolarHBondContact O-N 3.07Å; G261-H265 VanDerWaalsContact O-N 3.1Å |
| 262 | Q | 70.4 | Confident | 70.3 | Confident | 120 Ų | 120 | 110 Ų | 110 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.7 | -37.3 | 175 | -74.9 | 179.4 | -35.8 | 0 | 0 | 112.9 | R258 S259 K266 | R258-Q262 WeakPolarHBondContact O-CG 3.39Å; R258-Q262 PolarHBondContact O-N 3.15Å; S259-Q262 PolarHBondContact O-N 2.66Å; Q262-K266 WeakPolarHBondContact O-CB 3.21Å; Q262-K266 PolarHBondContact O-N 2.78Å |
| 263 | L | 71 | Confident | 69.6 | Low | 103 Ų | 103 | 112.2 Ų | 112.2 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.8 | -46.7 | 174 | -78.9 | 155.7 | 0 | 0 | 0 | 111.3 | S259 K260 H265 K266 D267 | S259-L263 PolarHBondContact O-N 2.86Å; S259-L263 VanDerWaalsContact O-N 3.07Å; K260-L263 PolarHBondContact O-N 3.49Å; L263-H265 PolarHBondContact O-N 3.02Å; L263-K266 PolarHBondContact O-N 3.11Å; L263-K266 VanDerWaalsContact O-N 3.11Å; L263-D267 PolarHBondContact O-N 3.47Å; L263-D267 VanDerWaalsContact O-N 3.07Å |
| 264 | A | 66.1 | Low | 68.8 | Low | 68 Ų | 68 | 110.4 Ų | 110.4 | 56% | 0.562 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.4 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K260 K266 G268 | K260-A264 PolarHBondContact O-N 3.06Å; A264-K266 VanDerWaalsContact C-N 3.33Å; A264-K266 PolarHBondContact O-N 3.2Å; A264-G268 PolarHBondContact O-N 2.98Å |
| 265 | H | 71.1 | Confident | 67.8 | Low | 145 Ų | 145 | 112.2 Ų | 112.2 | 67% | 0.671 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68 | -31.9 | 175.4 | -172 | -62.5 | 0 | 0 | 0 | 112.6 | G261 L263 S269 | G261-H265 PolarHBondContact O-N 3.07Å; G261-H265 VanDerWaalsContact O-N 3.1Å; L263-H265 PolarHBondContact O-N 3.02Å; H265-S269 PolarHBondContact O-N 2.93Å |
| 266 | K | 65 | Low | 66.9 | Low | 141 Ų | 141 | 108 Ų | 108 | 61% | 0.613 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -78.3 | -26.9 | -179 | -144.1 | 177.7 | -171.9 | -178.1 | 0 | 112.8 | Q262 L263 A264 K270 | Q262-K266 WeakPolarHBondContact O-CB 3.21Å; Q262-K266 PolarHBondContact O-N 2.78Å; L263-K266 PolarHBondContact O-N 3.11Å; L263-K266 VanDerWaalsContact O-N 3.11Å; A264-K266 VanDerWaalsContact C-N 3.33Å; A264-K266 PolarHBondContact O-N 3.2Å; K266-K270 WeakPolarHBondContact O-CG 3.45Å |
| 267 | D | 61.9 | Low | 66 | Low | 103 Ų | 103 | 110.6 Ų | 110.6 | 55% | 0.551 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -80.5 | -36.5 | 172.4 | -71.8 | -21.1 | 0 | 0 | 0 | 111.4 | L263 S269 K270 | L263-D267 PolarHBondContact O-N 3.47Å; L263-D267 VanDerWaalsContact O-N 3.07Å; D267-S269 PolarHBondContact O-N 3.49Å; D267-K270 PolarHBondContact O-N 3.49Å |
| 268 | G | 57.1 | Low | 65.1 | Low | 38 Ų | 38 | 113.3 Ų | 113.3 | 39% | 0.392 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.6 | -29.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A264 K270 T271 | A264-G268 PolarHBondContact O-N 2.98Å; G268-K270 VanDerWaalsContact C-N 3.31Å; G268-K270 PolarHBondContact O-N 3.13Å; G268-T271 PolarHBondContact O-OG1 3.34Å |
| 269 | S | 57.7 | Low | 64.1 | Low | 73 Ų | 73 | 108.4 Ų | 108.4 | 51% | 0.51 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.9 | 1.2 | 177.6 | 100.2 | 0 | 0 | 0 | 0 | 114.4 | H265 D267 | H265-S269 PolarHBondContact O-N 2.93Å; D267-S269 PolarHBondContact O-N 3.49Å |
| 270 | K | 55.3 | Low | 63.1 | Low | 158 Ų | 158 | 112.2 Ų | 112.2 | 69% | 0.687 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -4.8 | 176.3 | -76.5 | -178.8 | 177 | -177.4 | 0 | 112.8 | K266 D267 G268 | K266-K270 WeakPolarHBondContact O-CG 3.45Å; D267-K270 PolarHBondContact O-N 3.49Å; G268-K270 VanDerWaalsContact C-N 3.31Å; G268-K270 PolarHBondContact O-N 3.13Å |
| 271 | T | 51.3 | Low | 62.1 | Low | 115 Ų | 115 | 109.3 Ų | 109.3 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | trans | -103.5 | 3.3 | -179.2 | 39.4 | 0 | 0 | 0 | 0 | 113.7 | G268 | G268-T271 PolarHBondContact O-OG1 3.34Š| ||
| 272 | D | 44 | Very low | 61 | Low | 204 Ų | 204 | 115.3 Ų | 115.3 | 100% | 1.091 | 63% | 0.626 | S | S | * | * | trans | -111.5 | 0 | 169.4 | -64.1 | -19.6 | 0 | 0 | 0 | 109.7 |
Retrieved 272 of 272 residues in 234.4 ms
(Link to these results)