| 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 | 77.3 | Confident | 92.6 | Very high | 148 Ų | 148 | 88.8 Ų | 88.8 | 73% | 0.729 | 44% | 0.439 | S | S | * | . | 0 | 133.5 | 0 | -175.4 | 175.8 | -73 | 0 | 0 | 106.9 | A5 L6 I9 F67 | M1-A5 HydrophobicContact CG-CB 3.76Å; M1-A5 HydrophobicContact SD-CB 4.33Å; M1-L6 HydrophobicContact SD-CB 4.22Å; M1-L6 HydrophobicContact SD-CD1 4.04Å; M1-I9 HydrophobicContact CE-CD1 3.74Å; M1-I9 HydrophobicContact SD-CD1 3.67Å; M1-F67 HydrophobicContact CE-CD1 4.48Å; M1-F67 HydrophobicContact CE-CE1 3.4Å; M1-F67 HydrophobicContact CE-CZ 3.69Å; M1-F67 HydrophobicContact SD-CD1 4.35Å; M1-F67 HydrophobicContact SD-CE1 3.75Å; M1-F67 HydrophobicContact SD-CZ 4.29Å | |||
| 2 | D | 89.4 | Confident | 92.9 | Very high | 98 Ų | 98 | 97.8 Ų | 97.8 | 52% | 0.524 | 46% | 0.464 | S | S | . | . | trans | -75.8 | 166.2 | 175.9 | 63.3 | 52.3 | 0 | 0 | 0 | 111.7 | N4 A5 L6 | D2-N4 VanDerWaalsContact C-N 3.3Å; D2-N4 PolarHBondContact O-N 3.22Å; D2-N4 PolarHBondContact OD1-N 3.19Å; D2-N4 VanDerWaalsContact OD1-N 3.1Å; D2-A5 VanDerWaalsContact OD1-CB 3.3Å; D2-A5 WeakPolarHBondContact OD1-CB 3.25Å; D2-A5 PolarHBondContact OD1-N 3.34Å; D2-L6 PolarHBondContact O-N 3Å; D2-L6 VanDerWaalsContact O-N 3.16Å | ||
| 3 | Q | 91 | Very high | 93.1 | Very high | 155 Ų | 155 | 91.3 Ų | 91.3 | 72% | 0.724 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.6 | -32.3 | -178 | -74.9 | -175.7 | -24.7 | 0 | 0 | 112.9 | L6 W7 | Q3-L6 PolarHBondContact O-N 2.86Å; Q3-W7 VanDerWaalsContact O-CB 3.31Å; Q3-W7 WeakPolarHBondContact O-CB 3.4Å; Q3-W7 PolarHBondContact O-N 2.93Å |
| 4 | N | 93.3 | Very high | 93.4 | Very high | 127 Ų | 127 | 85.9 Ų | 85.9 | 68% | 0.679 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.8 | -41.7 | -177.7 | -69.4 | -22.1 | 0 | 0 | 0 | 111.7 | D2 W7 S8 | D2-N4 VanDerWaalsContact C-N 3.3Å; D2-N4 PolarHBondContact O-N 3.22Å; D2-N4 PolarHBondContact OD1-N 3.19Å; D2-N4 VanDerWaalsContact OD1-N 3.1Å; N4-W7 PolarHBondContact O-N 3.3Å; N4-S8 WeakPolarHBondContact O-CB 3.49Å; N4-S8 PolarHBondContact O-N 3.11Å; N4-S8 PolarHBondContact O-OG 3.11Å |
| 5 | A | 94.1 | Very high | 93.4 | Very high | 36 Ų | 36 | 89.4 Ų | 89.4 | 30% | 0.298 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | M1 D2 W7 S8 I9 | M1-A5 HydrophobicContact CG-CB 3.76Å; M1-A5 HydrophobicContact SD-CB 4.33Å; D2-A5 VanDerWaalsContact OD1-CB 3.3Å; D2-A5 WeakPolarHBondContact OD1-CB 3.25Å; D2-A5 PolarHBondContact OD1-N 3.34Å; A5-W7 PolarHBondContact O-N 3.02Å; A5-S8 WeakPolarHBondContact O-CB 3.46Å; A5-S8 PolarHBondContact O-N 3.01Å; A5-I9 WeakPolarHBondContact O-CG1 3.42Å; A5-I9 PolarHBondContact O-N 3.24Å |
| 6 | L | 94.3 | Very high | 93.5 | Very high | 24 Ų | 24 | 90.6 Ų | 90.6 | 13% | 0.126 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 177.2 | -170.7 | 72.9 | 0 | 0 | 0 | 111.6 | M1 D2 Q3 S8 I9 F10 F60 F63 F67 | M1-L6 HydrophobicContact SD-CB 4.22Å; M1-L6 HydrophobicContact SD-CD1 4.04Å; D2-L6 PolarHBondContact O-N 3Å; D2-L6 VanDerWaalsContact O-N 3.16Å; Q3-L6 PolarHBondContact O-N 2.86Å; L6-S8 VanDerWaalsContact C-N 3.31Å; L6-S8 PolarHBondContact O-N 3.34Å; L6-I9 PolarHBondContact O-N 3.04Å; L6-F10 WeakPolarHBondContact O-CB 3.28Å; L6-F10 PolarHBondContact O-N 2.84Å; L6-F60 HydrophobicContact CB-CE2 4.29Å; L6-F60 HydrophobicContact CB-CZ 4.44Å; L6-F60 HydrophobicContact CD2-CE2 3.94Å; L6-F60 HydrophobicContact CD2-CZ 4.12Å; L6-F60 HydrophobicContact CG-CE2 3.9Å; L6-F60 HydrophobicContact CG-CZ 4.37Å; L6-F63 HydrophobicContact CD1-CD1 3.74Å; L6-F63 HydrophobicContact CD1-CE1 3.53Å; L6-F63 HydrophobicContact CD2-CD1 4.43Å; L6-F63 HydrophobicContact CG-CD1 3.87Å; L6-F63 HydrophobicContact CG-CE1 3.99Å; L6-F67 HydrophobicContact CD1-CB 4.11Å; L6-F67 HydrophobicContact CD1-CD1 3.95Å; L6-F67 HydrophobicContact CD1-CG 4.03Å |
| 7 | W | 95.5 | Very high | 93.6 | Very high | 109 Ų | 109 | 88.7 Ų | 88.7 | 41% | 0.413 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 175.5 | -179 | -114.3 | 0 | 0 | 0 | 112.2 | Q3 N4 A5 I9 F10 R11 F60 | Q3-W7 VanDerWaalsContact O-CB 3.31Å; Q3-W7 WeakPolarHBondContact O-CB 3.4Å; Q3-W7 PolarHBondContact O-N 2.93Å; N4-W7 PolarHBondContact O-N 3.3Å; A5-W7 PolarHBondContact O-N 3.02Å; W7-I9 VanDerWaalsContact C-N 3.31Å; W7-I9 PolarHBondContact O-N 3.14Å; W7-F10 HydrophobicContact CE3-CD1 4.13Å; W7-F10 HydrophobicContact CH2-CD1 4.42Å; W7-F10 AromaticContact CZ3-CD1 3.83Å; W7-F10 HydrophobicContact CZ3-CD1 3.83Å; W7-F10 HydrophobicContact CZ3-CE1 4.15Å; W7-F10 WeakPolarHBondContact O-CB 3.48Å; W7-F10 PolarHBondContact O-N 3.48Å; W7-R11 HydrophobicContact CD2-CG 4.28Å; W7-R11 HydrophobicContact CZ2-CG 4.02Å; W7-R11 WeakPolarHBondContact O-CG 3.47Å; W7-R11 PolarHBondContact O-N 3.21Å; W7-F60 HydrophobicContact CB-CE2 3.99Å; W7-F60 HydrophobicContact CB-CZ 3.85Å; W7-F60 HydrophobicContact CD2-CE2 4.5Å; W7-F60 HydrophobicContact CE3-CB 4.28Å; W7-F60 AromaticContact CE3-CD1 3.83Å; W7-F60 HydrophobicContact CE3-CD1 3.83Å; W7-F60 AromaticContact CE3-CD2 3.5Å; W7-F60 HydrophobicContact CE3-CD2 3.5Å; W7-F60 AromaticContact CE3-CE1 3.97Å; W7-F60 HydrophobicContact CE3-CE1 3.97Å; W7-F60 AromaticContact CE3-CE2 3.67Å; W7-F60 HydrophobicContact CE3-CE2 3.67Å; W7-F60 AromaticContact CE3-CG 3.58Å; W7-F60 HydrophobicContact CE3-CG 3.58Å; W7-F60 AromaticContact CE3-CZ 3.88Å; W7-F60 HydrophobicContact CE3-CZ 3.88Å; W7-F60 HydrophobicContact CZ3-CB 3.88Å; W7-F60 HydrophobicContact CZ3-CD1 4.07Å; W7-F60 AromaticContact CZ3-CD2 3.97Å; W7-F60 HydrophobicContact CZ3-CD2 3.97Å; W7-F60 AromaticContact CZ3-CG 3.69Å; W7-F60 HydrophobicContact CZ3-CG 3.69Å |
| 8 | S | 95.7 | Very high | 93.7 | Very high | 70 Ų | 70 | 87.6 Ų | 87.6 | 49% | 0.49 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 176.2 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | N4 A5 L6 R12 | N4-S8 WeakPolarHBondContact O-CB 3.49Å; N4-S8 PolarHBondContact O-N 3.11Å; N4-S8 PolarHBondContact O-OG 3.11Å; A5-S8 WeakPolarHBondContact O-CB 3.46Å; A5-S8 PolarHBondContact O-N 3.01Å; L6-S8 VanDerWaalsContact C-N 3.31Å; L6-S8 PolarHBondContact O-N 3.34Å; S8-R12 WeakPolarHBondContact O-CD 3.35Å; S8-R12 VanDerWaalsContact O-CG 3.26Å; S8-R12 WeakPolarHBondContact O-CG 3.24Å; S8-R12 PolarHBondContact O-N 3.29Å |
| 9 | I | 95.1 | Very high | 93.8 | Very high | 39 Ų | 39 | 84.9 Ų | 84.9 | 20% | 0.2 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -70 | -47.5 | 173.6 | -64.1 | 169.3 | 0 | 0 | 0 | 109.9 | M1 A5 L6 W7 R11 R12 I13 F63 F67 | M1-I9 HydrophobicContact CE-CD1 3.74Å; M1-I9 HydrophobicContact SD-CD1 3.67Å; A5-I9 WeakPolarHBondContact O-CG1 3.42Å; A5-I9 PolarHBondContact O-N 3.24Å; L6-I9 PolarHBondContact O-N 3.04Å; W7-I9 VanDerWaalsContact C-N 3.31Å; W7-I9 PolarHBondContact O-N 3.14Å; I9-R11 VanDerWaalsContact C-N 3.35Å; I9-R11 PolarHBondContact O-N 2.9Å; I9-R12 WeakPolarHBondContact O-CB 3.39Å; I9-R12 PolarHBondContact O-N 3.18Å; I9-I13 HydrophobicContact CG2-CD1 3.83Å; I9-I13 HydrophobicContact CG2-CG1 4.41Å; I9-I13 WeakPolarHBondContact O-CG1 3.42Å; I9-I13 PolarHBondContact O-N 3.29Å; I9-F63 HydrophobicContact CB-CE1 4.36Å; I9-F63 HydrophobicContact CB-CZ 4.48Å; I9-F63 HydrophobicContact CG2-CE1 4.12Å; I9-F63 HydrophobicContact CG2-CZ 3.75Å; I9-F67 HydrophobicContact CD1-CE2 4.09Å; I9-F67 HydrophobicContact CD1-CZ 3.87Å; I9-F67 HydrophobicContact CG2-CE2 4.27Å |
| 10 | F | 96.7 | Very high | 94 | Very high | 1 Ų | 1 | 83.1 Ų | 83.1 | 0% | 0.004 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -52 | -52.6 | 178.8 | -178.8 | -89.8 | 0 | 0 | 0 | 111.6 | L6 W7 R12 I13 D14 G19 I21 F60 F63 | L6-F10 WeakPolarHBondContact O-CB 3.28Å; L6-F10 PolarHBondContact O-N 2.84Å; W7-F10 HydrophobicContact CE3-CD1 4.13Å; W7-F10 HydrophobicContact CH2-CD1 4.42Å; W7-F10 AromaticContact CZ3-CD1 3.83Å; W7-F10 HydrophobicContact CZ3-CD1 3.83Å; W7-F10 HydrophobicContact CZ3-CE1 4.15Å; W7-F10 WeakPolarHBondContact O-CB 3.48Å; W7-F10 PolarHBondContact O-N 3.48Å; F10-R12 PolarHBondContact O-N 3.43Å; F10-R12 VanDerWaalsContact O-N 3.15Å; F10-I13 PolarHBondContact O-N 2.61Å; F10-D14 HydrophobicContact CE1-CB 4.28Å; F10-D14 PolarHBondContact O-N 2.8Å; F10-G19 VanDerWaalsContact CZ-O 3.28Å; F10-G19 WeakPolarHBondContact CZ-O 3.47Å; F10-I21 HydrophobicContact CD2-CD1 3.36Å; F10-I21 HydrophobicContact CD2-CG1 3.99Å; F10-I21 HydrophobicContact CE2-CD1 3.47Å; F10-I21 VanDerWaalsContact CE2-CD1 3.47Å; F10-I21 HydrophobicContact CE2-CG1 3.63Å; F10-I21 HydrophobicContact CG-CD1 4.19Å; F10-I21 HydrophobicContact CZ-CD1 4.36Å; F10-I21 HydrophobicContact CZ-CG1 4.1Å; F10-F60 HydrophobicContact CB-CD2 3.85Å; F10-F60 HydrophobicContact CB-CE2 4.16Å; F10-F60 HydrophobicContact CD1-CD2 4.35Å; F10-F60 HydrophobicContact CD2-CB 4.31Å; F10-F60 AromaticContact CD2-CD2 3.9Å; F10-F60 HydrophobicContact CD2-CD2 3.9Å; F10-F60 HydrophobicContact CE2-CB 4.17Å; F10-F60 AromaticContact CG-CD2 3.76Å; F10-F60 HydrophobicContact CG-CD2 3.76Å; F10-F60 HydrophobicContact CZ-CB 4.29Å; F10-F63 HydrophobicContact CB-CD1 3.98Å; F10-F63 HydrophobicContact CB-CE1 4.09Å; F10-F63 HydrophobicContact CD2-CB 3.74Å; F10-F63 AromaticContact CD2-CD1 3.86Å; F10-F63 HydrophobicContact CD2-CD1 3.86Å; F10-F63 HydrophobicContact CD2-CD2 4.23Å; F10-F63 AromaticContact CD2-CG 3.67Å; F10-F63 HydrophobicContact CD2-CG 3.67Å; F10-F63 HydrophobicContact CE2-CB 4.12Å; F10-F63 HydrophobicContact CE2-CG 4.43Å; F10-F63 HydrophobicContact CG-CD1 4.43Å |
| 11 | R | 96.7 | Very high | 94.2 | Very high | 170 Ų | 170 | 79.1 Ų | 79.1 | 64% | 0.642 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.2 | -20.1 | 178.4 | -72.6 | -165.4 | 67.7 | -168.5 | 2.4 | 114.9 | W7 I9 | W7-R11 HydrophobicContact CD2-CG 4.28Å; W7-R11 HydrophobicContact CZ2-CG 4.02Å; W7-R11 WeakPolarHBondContact O-CG 3.47Å; W7-R11 PolarHBondContact O-N 3.21Å; I9-R11 VanDerWaalsContact C-N 3.35Å; I9-R11 PolarHBondContact O-N 2.9Å |
| 12 | R | 96.1 | Very high | 95.1 | Very high | 197 Ų | 197 | 73.4 Ų | 73.4 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -82.2 | -25.6 | 174.4 | -73.9 | 172.6 | 63.6 | -162.7 | -1.9 | 112.2 | S8 I9 F10 | S8-R12 WeakPolarHBondContact O-CD 3.35Å; S8-R12 VanDerWaalsContact O-CG 3.26Å; S8-R12 WeakPolarHBondContact O-CG 3.24Å; S8-R12 PolarHBondContact O-N 3.29Å; I9-R12 WeakPolarHBondContact O-CB 3.39Å; I9-R12 PolarHBondContact O-N 3.18Å; F10-R12 PolarHBondContact O-N 3.43Å; F10-R12 VanDerWaalsContact O-N 3.15Å |
| 13 | I | 95.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -86 | -44.8 | 179.2 | -58.7 | 172.3 | 0 | 0 | 0 | 110 | I9 F10 K15 I21 E25 C29 F63 | I9-I13 HydrophobicContact CG2-CD1 3.83Å; I9-I13 HydrophobicContact CG2-CG1 4.41Å; I9-I13 WeakPolarHBondContact O-CG1 3.42Å; I9-I13 PolarHBondContact O-N 3.29Å; F10-I13 PolarHBondContact O-N 2.61Å; I13-K15 VanDerWaalsContact C-N 3.32Å; I13-K15 PolarHBondContact O-N 3.43Å; I13-I21 HydrophobicContact CB-CD1 3.9Å; I13-I21 HydrophobicContact CB-CG1 4.24Å; I13-I21 HydrophobicContact CD1-CD1 4.32Å; I13-I21 HydrophobicContact CG2-CB 4.47Å; I13-I21 HydrophobicContact CG2-CD1 3.81Å; I13-I21 HydrophobicContact CG2-CG1 3.93Å; I13-I21 HydrophobicContact CG2-CG2 3.69Å; I13-E25 HydrophobicContact CG2-CB 4.2Å; I13-E25 WeakPolarHBondContact O-CB 3.38Å; I13-C29 HydrophobicContact CD1-CB 4.38Å; I13-C29 HydrophobicContact CG1-CB 3.93Å; I13-C29 HydrophobicContact CG2-CB 4.21Å; I13-F63 HydrophobicContact CD1-CE2 3.66Å; I13-F63 HydrophobicContact CD1-CZ 3.64Å |
| 14 | D | 96.6 | Very high | 95.7 | Very high | 16 Ų | 16 | 67.4 Ų | 67.4 | 9% | 0.086 | 36% | 0.361 | C | S | . | . | trans | -68 | 85.7 | 172 | 175.9 | 17.4 | 0 | 0 | 0 | 110.1 | F10 N16 G17 S18 G19 I21 | F10-D14 HydrophobicContact CE1-CB 4.28Å; F10-D14 PolarHBondContact O-N 2.8Å; D14-N16 PolarHBondContact OD1-OD1 3.12Å; D14-G17 VanDerWaalsContact OD1-CA 3.3Å; D14-G17 WeakPolarHBondContact OD1-CA 3.47Å; D14-G17 PolarHBondContact OD1-N 3.32Å; D14-G17 WeakPolarHBondContact OD2-CA 3.47Å; D14-S18 PolarHBondContact OD1-N 3.41Å; D14-S18 PolarHBondContact OD2-N 3.31Å; D14-G19 WeakPolarHBondContact OD2-CA 3.23Å; D14-G19 PolarHBondContact OD2-N 3.08Å; D14-I21 HydrophobicContact CB-CG1 4.35Å | ||
| 15 | K | 94.3 | Very high | 95.8 | Very high | 138 Ų | 138 | 62 Ų | 62 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -79.8 | -31.2 | -173.5 | -74.9 | 173.9 | -178 | 166.7 | 0 | 111.5 | I13 G17 E25 S28 | I13-K15 VanDerWaalsContact C-N 3.32Å; I13-K15 PolarHBondContact O-N 3.43Å; K15-G17 VanDerWaalsContact C-N 3.34Å; K15-E25 PolarHBondContact N-OE1 3.43Å; K15-S28 PolarHBondContact NZ-OG 2.85Å |
| 16 | N | 94.9 | Very high | 95.9 | Very high | 109 Ų | 109 | 60.5 Ų | 60.5 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -84.7 | -10.8 | 178.8 | 68.3 | 21.6 | 0 | 0 | 0 | 112.7 | D14 S18 E25 | D14-N16 PolarHBondContact OD1-OD1 3.12Å; N16-S18 VanDerWaalsContact C-N 3.32Å; N16-S18 WeakPolarHBondContact OD1-CB 3.23Å; N16-S18 PolarHBondContact OD1-N 2.96Å; N16-S18 PolarHBondContact OD1-OG 2.92Å; N16-E25 PolarHBondContact N-OE1 3.19Å; N16-E25 VanDerWaalsContact N-OE1 3.13Å; N16-E25 PolarHBondContact OD1-OE1 2.87Å |
| 17 | G | 94.6 | Very high | 96 | Very high | 58 Ų | 58 | 60.7 Ų | 60.7 | 60% | 0.598 | 32% | 0.318 | S | S | * | . | trans | 72.7 | 25.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D14 K15 G19 | D14-G17 VanDerWaalsContact OD1-CA 3.3Å; D14-G17 WeakPolarHBondContact OD1-CA 3.47Å; D14-G17 PolarHBondContact OD1-N 3.32Å; D14-G17 WeakPolarHBondContact OD2-CA 3.47Å; K15-G17 VanDerWaalsContact C-N 3.34Å; G17-G19 PolarHBondContact O-N 3.45Å | ||
| 18 | S | 96.1 | Very high | 96 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -70.4 | -15 | -179.6 | 66.3 | 0 | 0 | 0 | 0 | 113 | D14 N16 N20 | D14-S18 PolarHBondContact OD1-N 3.41Å; D14-S18 PolarHBondContact OD2-N 3.31Å; N16-S18 VanDerWaalsContact C-N 3.32Å; N16-S18 WeakPolarHBondContact OD1-CB 3.23Å; N16-S18 PolarHBondContact OD1-N 2.96Å; N16-S18 PolarHBondContact OD1-OG 2.92Å; S18-N20 VanDerWaalsContact C-N 3.25Å; S18-N20 PolarHBondContact OG-N 3.29Å; S18-N20 PolarHBondContact OG-O 3.08Å |
| 19 | G | 95.8 | Very high | 95.8 | Very high | 37 Ų | 37 | 57.7 Ų | 57.7 | 38% | 0.381 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 82.7 | 1.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F10 D14 G17 | F10-G19 VanDerWaalsContact CZ-O 3.28Å; F10-G19 WeakPolarHBondContact CZ-O 3.47Å; D14-G19 WeakPolarHBondContact OD2-CA 3.23Å; D14-G19 PolarHBondContact OD2-N 3.08Å; G17-G19 PolarHBondContact O-N 3.45Å |
| 20 | N | 97.1 | Very high | 95.7 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -133.5 | 154.8 | 174.3 | -61.6 | -68.8 | 0 | 0 | 0 | 110.2 | S18 T57 I58 S59 | S18-N20 VanDerWaalsContact C-N 3.25Å; S18-N20 PolarHBondContact OG-N 3.29Å; S18-N20 PolarHBondContact OG-O 3.08Å; N20-T57 HydrophobicContact CB-CG2 4.46Å; N20-T57 VanDerWaalsContact CB-OG1 3.29Å; N20-T57 WeakPolarHBondContact CB-OG1 3.2Å; N20-I58 WeakPolarHBondContact CA-O 3.48Å; N20-S59 WeakPolarHBondContact OD1-CA 3.23Å |
| 21 | I | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -98.1 | 119 | 176.2 | -67.7 | 167.9 | 0 | 0 | 0 | 109.2 | F10 I13 D14 E25 L26 M47 T57 I58 F63 | F10-I21 HydrophobicContact CD2-CD1 3.36Å; F10-I21 HydrophobicContact CD2-CG1 3.99Å; F10-I21 HydrophobicContact CE2-CD1 3.47Å; F10-I21 VanDerWaalsContact CE2-CD1 3.47Å; F10-I21 HydrophobicContact CE2-CG1 3.63Å; F10-I21 HydrophobicContact CG-CD1 4.19Å; F10-I21 HydrophobicContact CZ-CD1 4.36Å; F10-I21 HydrophobicContact CZ-CG1 4.1Å; I13-I21 HydrophobicContact CB-CD1 3.9Å; I13-I21 HydrophobicContact CB-CG1 4.24Å; I13-I21 HydrophobicContact CD1-CD1 4.32Å; I13-I21 HydrophobicContact CG2-CB 4.47Å; I13-I21 HydrophobicContact CG2-CD1 3.81Å; I13-I21 HydrophobicContact CG2-CG1 3.93Å; I13-I21 HydrophobicContact CG2-CG2 3.69Å; D14-I21 HydrophobicContact CB-CG1 4.35Å; I21-E25 HydrophobicContact CG2-CB 4.16Å; I21-L26 HydrophobicContact CG2-CB 3.73Å; I21-M47 WeakPolarHBondContact O-CE 3.38Å; I21-T57 CarbonylContact O-C 3.52Å; I21-T57 WeakPolarHBondContact O-CA 3.18Å; I21-I58 HydrophobicContact CB-CB 4.32Å; I21-I58 PolarHBondContact N-O 3.37Å; I21-I58 PolarHBondContact O-N 3.42Å; I21-F63 HydrophobicContact CD1-CD2 3.54Å; I21-F63 HydrophobicContact CD1-CE2 3.77Å; I21-F63 HydrophobicContact CD1-CG 4.18Å |
| 22 | S | 96.7 | Very high | 94.9 | Very high | 29 Ų | 29 | 53 Ų | 53 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | trans | -76.3 | 164.6 | 169.5 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | D24 E25 L26 | S22-D24 VanDerWaalsContact C-N 3.3Å; S22-D24 PolarHBondContact O-N 3.12Å; S22-E25 WeakPolarHBondContact CB-OE2 3.38Å; S22-E25 PolarHBondContact N-OE2 2.92Å; S22-E25 PolarHBondContact O-N 2.97Å; S22-E25 WeakPolarHBondContact OG-CB 3.44Å; S22-E25 VanDerWaalsContact OG-CD 3.3Å; S22-E25 VanDerWaalsContact OG-CG 3.28Å; S22-E25 WeakPolarHBondContact OG-CG 3.24Å; S22-E25 PolarHBondContact OG-N 3.37Å; S22-E25 PolarHBondContact OG-OE2 3Å; S22-L26 PolarHBondContact O-N 2.64Å | ||
| 23 | A | 96 | Very high | 94.2 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L26 Q27 I40 V43 Q44 M47 | A23-L26 PolarHBondContact O-N 2.87Å; A23-Q27 VanDerWaalsContact O-CB 3.25Å; A23-Q27 WeakPolarHBondContact O-CB 3.31Å; A23-Q27 PolarHBondContact O-N 3.32Å; A23-I40 HydrophobicContact CB-CD1 4.02Å; A23-V43 HydrophobicContact CB-CG1 4.1Å; A23-V43 WeakPolarHBondContact O-CG1 3.3Å; A23-Q44 HydrophobicContact CB-CG 4.38Å; A23-M47 WeakPolarHBondContact CA-SD 3.33Å; A23-M47 HydrophobicContact CB-CE 4.36Å; A23-M47 HydrophobicContact CB-SD 3.65Å |
| 24 | D | 96.5 | Very high | 93.6 | Very high | 110 Ų | 110 | 47.7 Ų | 47.7 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.4 | -40.3 | 178.7 | -63.6 | -58.7 | 0 | 0 | 0 | 112 | S22 Q27 S28 | S22-D24 VanDerWaalsContact C-N 3.3Å; S22-D24 PolarHBondContact O-N 3.12Å; D24-Q27 PolarHBondContact O-N 2.94Å; D24-S28 WeakPolarHBondContact O-CB 3.46Å; D24-S28 PolarHBondContact O-N 3Å; D24-S28 PolarHBondContact O-OG 3.29Å |
| 25 | E | 97.1 | Very high | 93 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62 | -48.8 | 175.3 | -79 | 167.7 | 143 | 0 | 0 | 111 | I13 K15 N16 I21 S22 S28 C29 | I13-E25 HydrophobicContact CG2-CB 4.2Å; I13-E25 WeakPolarHBondContact O-CB 3.38Å; K15-E25 PolarHBondContact N-OE1 3.43Å; N16-E25 PolarHBondContact N-OE1 3.19Å; N16-E25 VanDerWaalsContact N-OE1 3.13Å; N16-E25 PolarHBondContact OD1-OE1 2.87Å; I21-E25 HydrophobicContact CG2-CB 4.16Å; S22-E25 WeakPolarHBondContact CB-OE2 3.38Å; S22-E25 PolarHBondContact N-OE2 2.92Å; S22-E25 PolarHBondContact O-N 2.97Å; S22-E25 WeakPolarHBondContact OG-CB 3.44Å; S22-E25 VanDerWaalsContact OG-CD 3.3Å; S22-E25 VanDerWaalsContact OG-CG 3.28Å; S22-E25 WeakPolarHBondContact OG-CG 3.24Å; S22-E25 PolarHBondContact OG-N 3.37Å; S22-E25 PolarHBondContact OG-OE2 3Å; E25-S28 PolarHBondContact O-N 3.42Å; E25-S28 PolarHBondContact O-OG 2.94Å; E25-C29 PolarHBondContact O-N 3.28Å |
| 26 | L | 96.2 | Very high | 92.8 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 177.2 | -173.6 | 55.4 | 0 | 0 | 0 | 111.8 | I21 S22 A23 S28 C29 L30 V43 M47 L66 | I21-L26 HydrophobicContact CG2-CB 3.73Å; S22-L26 PolarHBondContact O-N 2.64Å; A23-L26 PolarHBondContact O-N 2.87Å; L26-S28 VanDerWaalsContact C-N 3.26Å; L26-S28 PolarHBondContact O-N 3.45Å; L26-C29 PolarHBondContact O-N 3.14Å; L26-C29 VanDerWaalsContact O-N 3.08Å; L26-L30 HydrophobicContact CD1-CD1 4.08Å; L26-L30 HydrophobicContact CD1-CD2 4.47Å; L26-L30 HydrophobicContact CD1-CG 4.09Å; L26-L30 HydrophobicContact CG-CD1 3.9Å; L26-L30 HydrophobicContact CG-CG 4.33Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 3.37Å; L26-L30 VanDerWaalsContact O-N 3.1Å; L26-V43 HydrophobicContact CB-CG1 4Å; L26-V43 HydrophobicContact CD2-CG1 3.9Å; L26-V43 HydrophobicContact CG-CG1 4.07Å; L26-M47 HydrophobicContact CD2-CG 3.98Å; L26-M47 HydrophobicContact CD2-SD 4.29Å; L26-L66 HydrophobicContact CD2-CD2 3.65Å |
| 27 | Q | 96.4 | Very high | 92.6 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56 | -43.4 | 177 | -171.1 | -165.6 | 38.5 | 0 | 0 | 111.3 | A23 D24 C29 L30 F38 I40 V43 | A23-Q27 VanDerWaalsContact O-CB 3.25Å; A23-Q27 WeakPolarHBondContact O-CB 3.31Å; A23-Q27 PolarHBondContact O-N 3.32Å; D24-Q27 PolarHBondContact O-N 2.94Å; Q27-C29 PolarHBondContact O-N 2.95Å; Q27-L30 PolarHBondContact O-N 3.04Å; Q27-F38 HydrophobicContact CG-CB 4.18Å; Q27-F38 WeakPolarHBondContact CG-O 3.17Å; Q27-F38 PolarHBondContact NE2-O 2.61Å; Q27-I40 HydrophobicContact CB-CD1 4.18Å; Q27-I40 HydrophobicContact CG-CD1 4.39Å; Q27-V43 HydrophobicContact CB-CG2 4.03Å; Q27-V43 HydrophobicContact CG-CG2 4.3Å |
| 28 | S | 93.8 | Very high | 92.6 | Very high | 59 Ų | 59 | 45.4 Ų | 45.4 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.5 | -18.7 | -178.4 | 79.7 | 0 | 0 | 0 | 0 | 113.9 | K15 D24 E25 L26 | K15-S28 PolarHBondContact NZ-OG 2.85Å; D24-S28 WeakPolarHBondContact O-CB 3.46Å; D24-S28 PolarHBondContact O-N 3Å; D24-S28 PolarHBondContact O-OG 3.29Å; E25-S28 PolarHBondContact O-N 3.42Å; E25-S28 PolarHBondContact O-OG 2.94Å; L26-S28 VanDerWaalsContact C-N 3.26Å; L26-S28 PolarHBondContact O-N 3.45Å |
| 29 | C | 91.9 | Very high | 92.6 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -101 | -17.1 | -179.3 | -71.2 | 0 | 0 | 0 | 0 | 113.5 | I13 E25 L26 Q27 | I13-C29 HydrophobicContact CD1-CB 4.38Å; I13-C29 HydrophobicContact CG1-CB 3.93Å; I13-C29 HydrophobicContact CG2-CB 4.21Å; E25-C29 PolarHBondContact O-N 3.28Å; L26-C29 PolarHBondContact O-N 3.14Å; L26-C29 VanDerWaalsContact O-N 3.08Å; Q27-C29 PolarHBondContact O-N 2.95Å |
| 30 | L | 93.5 | Very high | 92.5 | Very high | 31 Ų | 31 | 43.5 Ų | 43.5 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | trans | -88.5 | 138.3 | 176.9 | -66 | 176.1 | 0 | 0 | 0 | 111.2 | L26 Q27 F38 V43 M46 V70 | L26-L30 HydrophobicContact CD1-CD1 4.08Å; L26-L30 HydrophobicContact CD1-CD2 4.47Å; L26-L30 HydrophobicContact CD1-CG 4.09Å; L26-L30 HydrophobicContact CG-CD1 3.9Å; L26-L30 HydrophobicContact CG-CG 4.33Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 3.37Å; L26-L30 VanDerWaalsContact O-N 3.1Å; Q27-L30 PolarHBondContact O-N 3.04Å; L30-F38 HydrophobicContact CB-CB 4.09Å; L30-F38 HydrophobicContact CB-CD1 4.44Å; L30-F38 HydrophobicContact CB-CD2 3.43Å; L30-F38 VanDerWaalsContact CB-CD2 3.43Å; L30-F38 HydrophobicContact CB-CE2 3.85Å; L30-F38 HydrophobicContact CB-CG 3.75Å; L30-F38 HydrophobicContact CD1-CD1 4.21Å; L30-F38 HydrophobicContact CD1-CD2 4.33Å; L30-F38 HydrophobicContact CD1-CE1 4.02Å; L30-F38 HydrophobicContact CD1-CE2 4.16Å; L30-F38 HydrophobicContact CD1-CG 4.34Å; L30-F38 HydrophobicContact CD1-CZ 4.01Å; L30-F38 HydrophobicContact CG-CD2 4.49Å; L30-V43 HydrophobicContact CD1-CG2 4.29Å; L30-M46 HydrophobicContact CD1-CE 3.9Å; L30-V70 HydrophobicContact CD2-CG1 3.95Å | ||
| 31 | S | 90.2 | Very high | 92.3 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 54% | 0.538 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -110 | 137.5 | 172.9 | 177.6 | 0 | 0 | 0 | 0 | 110 | G33 | S31-G33 PolarHBondContact OG-N 2.89Å |
| 32 | N | 85.8 | Confident | 92.2 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.011 | 29% | 0.294 | C | S | . | . | trans | -95 | 7.4 | 172.4 | 67.4 | 14.8 | 0 | 0 | 0 | 113.5 | L34 T36 M37 F38 D127 | N32-L34 PolarHBondContact O-N 2.96Å; N32-L34 PolarHBondContact OD1-N 3.49Å; N32-T36 PolarHBondContact ND2-O 3.37Å; N32-T36 PolarHBondContact ND2-OG1 3.34Å; N32-T36 PolarHBondContact OD1-O 2.89Å; N32-T36 PolarHBondContact OD1-OG1 3.47Å; N32-M37 PolarHBondContact ND2-O 2.84Å; N32-F38 HydrophobicContact CB-CD2 4.23Å; N32-D127 HydrophobicContact CB-CB 4.15Å; N32-D127 VanDerWaalsContact CB-CG 3.48Å; N32-D127 WeakPolarHBondContact CB-OD1 3.45Å; N32-D127 PolarHBondContact ND2-OD2 3.24Å; N32-D127 VanDerWaalsContact ND2-OD2 3.13Å | ||
| 33 | G | 81.2 | Confident | 92.2 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 58% | 0.577 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 80.8 | -18 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S31 | S31-G33 PolarHBondContact OG-N 2.89Š|
| 34 | L | 84.5 | Confident | 92.1 | Very high | 43 Ų | 43 | 49.8 Ų | 49.8 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -98.3 | 2.5 | -176.5 | -59.7 | -173.9 | 0 | 0 | 0 | 114.1 | N32 T36 N119 | N32-L34 PolarHBondContact O-N 2.96Å; N32-L34 PolarHBondContact OD1-N 3.49Å; L34-T36 PolarHBondContact O-N 3.18Å; L34-N119 HydrophobicContact CD1-CB 3.93Å |
| 35 | G | 84.1 | Confident | 91.9 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 80% | 0.804 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 71.1 | 10.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 36 | T | 88.5 | Confident | 91.8 | Very high | 61 Ų | 61 | 44.1 Ų | 44.1 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -97.4 | 162.9 | 171.6 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | N32 L34 F38 N119 | N32-T36 PolarHBondContact ND2-O 3.37Å; N32-T36 PolarHBondContact ND2-OG1 3.34Å; N32-T36 PolarHBondContact OD1-O 2.89Å; N32-T36 PolarHBondContact OD1-OG1 3.47Å; L34-T36 PolarHBondContact O-N 3.18Å; T36-F38 PolarHBondContact O-N 2.82Å; T36-N119 PolarHBondContact OG1-ND2 3.32Å; T36-N119 VanDerWaalsContact OG1-ND2 3.14Å |
| 37 | M | 92 | Very high | 91.7 | Very high | 134 Ų | 134 | 44.2 Ų | 44.2 | 66% | 0.66 | 27% | 0.267 | S | S | * | . | B | Isolated β-bridge | trans | -62.8 | 136.6 | 176.1 | -63.6 | -174.4 | 81.4 | 0 | 0 | 110.5 | N32 | N32-M37 PolarHBondContact ND2-O 2.84Å |
| 38 | F | 95.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 140.7 | 173.3 | -158.1 | -81.5 | 0 | 0 | 0 | 110 | Q27 L30 N32 T36 I40 T42 V43 M46 F126 D127 I130 | Q27-F38 HydrophobicContact CG-CB 4.18Å; Q27-F38 WeakPolarHBondContact CG-O 3.17Å; Q27-F38 PolarHBondContact NE2-O 2.61Å; L30-F38 HydrophobicContact CB-CB 4.09Å; L30-F38 HydrophobicContact CB-CD1 4.44Å; L30-F38 HydrophobicContact CB-CD2 3.43Å; L30-F38 VanDerWaalsContact CB-CD2 3.43Å; L30-F38 HydrophobicContact CB-CE2 3.85Å; L30-F38 HydrophobicContact CB-CG 3.75Å; L30-F38 HydrophobicContact CD1-CD1 4.21Å; L30-F38 HydrophobicContact CD1-CD2 4.33Å; L30-F38 HydrophobicContact CD1-CE1 4.02Å; L30-F38 HydrophobicContact CD1-CE2 4.16Å; L30-F38 HydrophobicContact CD1-CG 4.34Å; L30-F38 HydrophobicContact CD1-CZ 4.01Å; L30-F38 HydrophobicContact CG-CD2 4.49Å; N32-F38 HydrophobicContact CB-CD2 4.23Å; T36-F38 PolarHBondContact O-N 2.82Å; F38-I40 PolarHBondContact O-N 3.36Å; F38-I40 VanDerWaalsContact O-N 3.08Å; F38-T42 HydrophobicContact CE1-CG2 3.69Å; F38-T42 HydrophobicContact CZ-CG2 4.21Å; F38-V43 HydrophobicContact CD1-CG2 3.6Å; F38-V43 HydrophobicContact CE1-CG2 4.06Å; F38-M46 HydrophobicContact CE1-CE 3.76Å; F38-M46 HydrophobicContact CZ-CE 4Å; F38-F126 AromaticContact CE2-CD1 3.83Å; F38-F126 HydrophobicContact CE2-CD1 3.83Å; F38-F126 AromaticContact CE2-CE1 3.95Å; F38-F126 HydrophobicContact CE2-CE1 3.95Å; F38-F126 HydrophobicContact CZ-CD1 4.46Å; F38-F126 HydrophobicContact CZ-CE1 4.36Å; F38-D127 WeakPolarHBondContact CA-OD2 3.39Å; F38-D127 HydrophobicContact CD1-CB 3.59Å; F38-D127 HydrophobicContact CD2-CB 3.7Å; F38-D127 HydrophobicContact CE1-CB 3.44Å; F38-D127 VanDerWaalsContact CE1-CB 3.44Å; F38-D127 HydrophobicContact CE2-CB 3.55Å; F38-D127 HydrophobicContact CG-CB 3.74Å; F38-D127 HydrophobicContact CZ-CB 3.42Å; F38-D127 VanDerWaalsContact CZ-CB 3.42Å; F38-I130 HydrophobicContact CZ-CD1 4.2Å |
| 39 | N | 94.1 | Very high | 91.4 | Very high | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.064 | 28% | 0.281 | C | S | . | . | trans | -59.2 | 115.3 | -179.9 | -170.7 | -18.1 | 0 | 0 | 0 | 110.9 | R41 T42 V43 R118 D127 D128 | N39-R41 PolarHBondContact O-N 3.18Å; N39-R41 WeakPolarHBondContact OD1-CB 3.42Å; N39-R41 PolarHBondContact OD1-N 2.95Å; N39-T42 WeakPolarHBondContact CB-OG1 3.32Å; N39-T42 WeakPolarHBondContact O-CB 3.22Å; N39-T42 PolarHBondContact O-N 2.82Å; N39-V43 PolarHBondContact O-N 3.32Å; N39-V43 VanDerWaalsContact O-N 3.08Å; N39-R118 VanDerWaalsContact CB-CZ 3.48Å; N39-R118 PolarHBondContact ND2-NE 2.94Å; N39-D127 HydrophobicContact CB-CB 4.11Å; N39-D127 PolarHBondContact N-OD2 2.77Å; N39-D128 PolarHBondContact ND2-OD1 3.12Å | ||
| 40 | I | 94.8 | Very high | 91.5 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.5 | -32.6 | 179.4 | -169 | 60.7 | 0 | 0 | 0 | 112.2 | A23 Q27 F38 T42 V43 Q44 | A23-I40 HydrophobicContact CB-CD1 4.02Å; Q27-I40 HydrophobicContact CB-CD1 4.18Å; Q27-I40 HydrophobicContact CG-CD1 4.39Å; F38-I40 PolarHBondContact O-N 3.36Å; F38-I40 VanDerWaalsContact O-N 3.08Å; I40-T42 VanDerWaalsContact C-N 3.32Å; I40-T42 PolarHBondContact O-N 3.17Å; I40-V43 HydrophobicContact CD1-CB 4.33Å; I40-V43 WeakPolarHBondContact O-CB 3.39Å; I40-V43 PolarHBondContact O-N 3.46Å; I40-Q44 HydrophobicContact CG1-CG 4.41Å; I40-Q44 WeakPolarHBondContact O-CG 3.5Å; I40-Q44 PolarHBondContact O-N 3.01Å |
| 41 | R | 93.7 | Very high | 91.5 | Very high | 141 Ų | 141 | 45.4 Ų | 45.4 | 53% | 0.532 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.3 | -35.6 | 176.9 | -60.9 | -175.3 | -176.2 | 170.7 | 1.2 | 111.7 | N39 L45 Y131 | N39-R41 PolarHBondContact O-N 3.18Å; N39-R41 WeakPolarHBondContact OD1-CB 3.42Å; N39-R41 PolarHBondContact OD1-N 2.95Å; R41-L45 WeakPolarHBondContact O-CB 3.43Å; R41-L45 PolarHBondContact O-N 3.47Å; R41-Y131 HydrophobicContact CB-CD2 4.31Å; R41-Y131 HydrophobicContact CB-CE2 3.81Å |
| 42 | T | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | 172.5 | -50.9 | 0 | 0 | 0 | 0 | 110.5 | F38 N39 I40 L45 M46 D127 I130 Y131 | F38-T42 HydrophobicContact CE1-CG2 3.69Å; F38-T42 HydrophobicContact CZ-CG2 4.21Å; N39-T42 WeakPolarHBondContact CB-OG1 3.32Å; N39-T42 WeakPolarHBondContact O-CB 3.22Å; N39-T42 PolarHBondContact O-N 2.82Å; I40-T42 VanDerWaalsContact C-N 3.32Å; I40-T42 PolarHBondContact O-N 3.17Å; T42-L45 PolarHBondContact O-N 2.86Å; T42-M46 HydrophobicContact CG2-CE 4.08Å; T42-M46 HydrophobicContact CG2-CG 4.41Å; T42-M46 HydrophobicContact CG2-SD 4.3Å; T42-M46 WeakPolarHBondContact O-CB 3.26Å; T42-M46 VanDerWaalsContact O-CG 3.25Å; T42-M46 WeakPolarHBondContact O-CG 3.45Å; T42-M46 PolarHBondContact O-N 3.08Å; T42-D127 WeakPolarHBondContact CG2-O 3.44Å; T42-D127 PolarHBondContact OG1-O 3Å; T42-I130 HydrophobicContact CG2-CB 3.82Å; T42-I130 HydrophobicContact CG2-CG2 3.71Å; T42-Y131 WeakPolarHBondContact OG1-CB 3.31Å |
| 43 | V | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.6 | -52.1 | 176 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | A23 L26 Q27 L30 F38 N39 I40 L45 M46 M47 | A23-V43 HydrophobicContact CB-CG1 4.1Å; A23-V43 WeakPolarHBondContact O-CG1 3.3Å; L26-V43 HydrophobicContact CB-CG1 4Å; L26-V43 HydrophobicContact CD2-CG1 3.9Å; L26-V43 HydrophobicContact CG-CG1 4.07Å; Q27-V43 HydrophobicContact CB-CG2 4.03Å; Q27-V43 HydrophobicContact CG-CG2 4.3Å; L30-V43 HydrophobicContact CD1-CG2 4.29Å; F38-V43 HydrophobicContact CD1-CG2 3.6Å; F38-V43 HydrophobicContact CE1-CG2 4.06Å; N39-V43 PolarHBondContact O-N 3.32Å; N39-V43 VanDerWaalsContact O-N 3.08Å; I40-V43 HydrophobicContact CD1-CB 4.33Å; I40-V43 WeakPolarHBondContact O-CB 3.39Å; I40-V43 PolarHBondContact O-N 3.46Å; V43-L45 VanDerWaalsContact C-N 3.34Å; V43-L45 PolarHBondContact O-N 3.3Å; V43-M46 PolarHBondContact O-N 3.32Å; V43-M47 HydrophobicContact CG1-CG 4.34Å; V43-M47 HydrophobicContact CG1-SD 3.78Å; V43-M47 VanDerWaalsContact O-CG 3.32Å; V43-M47 WeakPolarHBondContact O-CG 3.18Å; V43-M47 PolarHBondContact O-N 2.85Å |
| 44 | Q | 94.5 | Very high | 92 | Very high | 85 Ų | 85 | 56.2 Ų | 56.2 | 40% | 0.397 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 179.2 | -70.9 | 169 | -36.5 | 0 | 0 | 111.8 | A23 I40 M46 M47 S48 | A23-Q44 HydrophobicContact CB-CG 4.38Å; I40-Q44 HydrophobicContact CG1-CG 4.41Å; I40-Q44 WeakPolarHBondContact O-CG 3.5Å; I40-Q44 PolarHBondContact O-N 3.01Å; Q44-M46 PolarHBondContact O-N 3.41Å; Q44-M47 PolarHBondContact O-N 2.83Å; Q44-S48 WeakPolarHBondContact O-CB 3.43Å; Q44-S48 PolarHBondContact O-N 2.97Å; Q44-S48 PolarHBondContact O-OG 3.01Å |
| 45 | L | 93 | Very high | 92.4 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 176.2 | 178.9 | 62.1 | 0 | 0 | 0 | 112.6 | R41 T42 V43 S48 M49 Y131 V134 I138 I170 | R41-L45 WeakPolarHBondContact O-CB 3.43Å; R41-L45 PolarHBondContact O-N 3.47Å; T42-L45 PolarHBondContact O-N 2.86Å; V43-L45 VanDerWaalsContact C-N 3.34Å; V43-L45 PolarHBondContact O-N 3.3Å; L45-S48 PolarHBondContact O-OG 2.89Å; L45-M49 WeakPolarHBondContact O-CG 3.26Å; L45-Y131 HydrophobicContact CB-CD2 4.48Å; L45-Y131 HydrophobicContact CB-CE2 4.46Å; L45-Y131 HydrophobicContact CD2-CD2 3.59Å; L45-Y131 HydrophobicContact CD2-CE2 3.78Å; L45-Y131 HydrophobicContact CD2-CG 4.45Å; L45-V134 HydrophobicContact CD1-CG1 4.07Å; L45-V134 HydrophobicContact CD2-CB 3.84Å; L45-V134 HydrophobicContact CD2-CG1 3.61Å; L45-V134 HydrophobicContact CG-CG1 3.86Å; L45-I138 HydrophobicContact CD1-CD1 4.09Å; L45-I170 HydrophobicContact CB-CD1 4.17Å; L45-I170 HydrophobicContact CD1-CD1 3.52Å; L45-I170 HydrophobicContact CG-CD1 4.46Å |
| 46 | M | 94.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 174.9 | -71.1 | -174.4 | -58.7 | 0 | 0 | 110.8 | L30 F38 T42 V43 Q44 S48 M49 F50 L66 Y69 V70 I130 | L30-M46 HydrophobicContact CD1-CE 3.9Å; F38-M46 HydrophobicContact CE1-CE 3.76Å; F38-M46 HydrophobicContact CZ-CE 4Å; T42-M46 HydrophobicContact CG2-CE 4.08Å; T42-M46 HydrophobicContact CG2-CG 4.41Å; T42-M46 HydrophobicContact CG2-SD 4.3Å; T42-M46 WeakPolarHBondContact O-CB 3.26Å; T42-M46 VanDerWaalsContact O-CG 3.25Å; T42-M46 WeakPolarHBondContact O-CG 3.45Å; T42-M46 PolarHBondContact O-N 3.08Å; V43-M46 PolarHBondContact O-N 3.32Å; Q44-M46 PolarHBondContact O-N 3.41Å; M46-S48 PolarHBondContact O-N 3.18Å; M46-M49 WeakPolarHBondContact O-CB 3.49Å; M46-M49 PolarHBondContact O-N 3.31Å; M46-F50 VanDerWaalsContact O-CD2 3.24Å; M46-F50 WeakPolarHBondContact O-CD2 3.41Å; M46-L66 HydrophobicContact CB-CD1 3.93Å; M46-Y69 HydrophobicContact CG-CE1 4.1Å; M46-Y69 HydrophobicContact SD-CD1 4.46Å; M46-Y69 HydrophobicContact SD-CE1 4.37Å; M46-V70 HydrophobicContact CE-CG2 4.34Å; M46-V70 HydrophobicContact SD-CG2 3.9Å; M46-I130 HydrophobicContact CG-CG2 4.29Å; M46-I130 HydrophobicContact SD-CD1 4.31Å; M46-I130 HydrophobicContact SD-CG2 4.09Å |
| 47 | M | 94.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 179.2 | -72.8 | 175.3 | 71.8 | 0 | 0 | 111.6 | I21 A23 L26 V43 Q44 M49 F50 D51 G56 I58 | I21-M47 WeakPolarHBondContact O-CE 3.38Å; A23-M47 WeakPolarHBondContact CA-SD 3.33Å; A23-M47 HydrophobicContact CB-CE 4.36Å; A23-M47 HydrophobicContact CB-SD 3.65Å; L26-M47 HydrophobicContact CD2-CG 3.98Å; L26-M47 HydrophobicContact CD2-SD 4.29Å; V43-M47 HydrophobicContact CG1-CG 4.34Å; V43-M47 HydrophobicContact CG1-SD 3.78Å; V43-M47 VanDerWaalsContact O-CG 3.32Å; V43-M47 WeakPolarHBondContact O-CG 3.18Å; V43-M47 PolarHBondContact O-N 2.85Å; Q44-M47 PolarHBondContact O-N 2.83Å; M47-M49 PolarHBondContact O-N 2.9Å; M47-F50 PolarHBondContact O-N 2.99Å; M47-D51 VanDerWaalsContact O-CB 3.3Å; M47-D51 WeakPolarHBondContact O-CB 3.33Å; M47-D51 PolarHBondContact O-N 3.39Å; M47-G56 WeakPolarHBondContact CE-O 3.43Å; M47-I58 HydrophobicContact CB-CD1 4.26Å; M47-I58 HydrophobicContact CB-CG1 4.27Å; M47-I58 HydrophobicContact CE-CG1 3.83Å; M47-I58 HydrophobicContact CG-CD1 4.29Å; M47-I58 HydrophobicContact CG-CG1 3.81Å |
| 48 | S | 92.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 41% | 0.413 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.4 | 179.5 | 71.4 | 0 | 0 | 0 | 0 | 114 | Q44 L45 M46 I170 | Q44-S48 WeakPolarHBondContact O-CB 3.43Å; Q44-S48 PolarHBondContact O-N 2.97Å; Q44-S48 PolarHBondContact O-OG 3.01Å; L45-S48 PolarHBondContact O-OG 2.89Å; M46-S48 PolarHBondContact O-N 3.18Å; S48-I170 WeakPolarHBondContact OG-CD1 3.3Å |
| 49 | M | 92 | Very high | 93.5 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 41% | 0.414 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -17.2 | 174.8 | -65.3 | 172.3 | 64 | 0 | 0 | 113.2 | L45 M46 M47 Y69 V134 | L45-M49 WeakPolarHBondContact O-CG 3.26Å; M46-M49 WeakPolarHBondContact O-CB 3.49Å; M46-M49 PolarHBondContact O-N 3.31Å; M47-M49 PolarHBondContact O-N 2.9Å; M49-Y69 HydrophobicContact CE-CE1 4.48Å; M49-Y69 HydrophobicContact CE-CE2 4.08Å; M49-Y69 HydrophobicContact SD-CE1 4.45Å; M49-V134 HydrophobicContact SD-CG1 4.1Å |
| 50 | F | 93.8 | Very high | 93.6 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -25.1 | -174.3 | -62.8 | -79 | 0 | 0 | 0 | 113.9 | M46 M47 S52 I58 E62 K65 L66 Y69 | M46-F50 VanDerWaalsContact O-CD2 3.24Å; M46-F50 WeakPolarHBondContact O-CD2 3.41Å; M47-F50 PolarHBondContact O-N 2.99Å; F50-S52 PolarHBondContact O-N 3.14Å; F50-S52 PolarHBondContact O-OG 2.95Å; F50-I58 HydrophobicContact CB-CD1 4.12Å; F50-E62 WeakPolarHBondContact O-CG 3.35Å; F50-E62 VanDerWaalsContact O-OE1 3.08Å; F50-K65 HydrophobicContact CD1-CB 3.64Å; F50-K65 HydrophobicContact CD1-CD 4.44Å; F50-K65 HydrophobicContact CE1-CB 3.66Å; F50-L66 HydrophobicContact CD2-CB 4.02Å; F50-L66 HydrophobicContact CD2-CD1 3.75Å; F50-L66 HydrophobicContact CD2-CG 4.44Å; F50-L66 HydrophobicContact CE2-CB 4.46Å; F50-L66 HydrophobicContact CE2-CD1 3.93Å; F50-L66 HydrophobicContact CG-CB 4.23Å; F50-Y69 AromaticContact CE2-CD1 3.89Å; F50-Y69 HydrophobicContact CE2-CD1 3.89Å; F50-Y69 HydrophobicContact CE2-CD2 4.41Å; F50-Y69 HydrophobicContact CE2-CE1 4.48Å; F50-Y69 AromaticContact CE2-CG 3.84Å; F50-Y69 HydrophobicContact CE2-CG 3.84Å; F50-Y69 HydrophobicContact CZ-CD1 4.24Å; F50-Y69 AromaticContact CZ-CD2 3.97Å; F50-Y69 HydrophobicContact CZ-CD2 3.97Å; F50-Y69 AromaticContact CZ-CG 3.7Å; F50-Y69 HydrophobicContact CZ-CG 3.7Å |
| 51 | D | 92.4 | Very high | 93.5 | Very high | 23 Ų | 23 | 55.7 Ų | 55.7 | 12% | 0.123 | 30% | 0.302 | C | S | . | . | trans | -64 | 92.3 | 172.1 | 176.4 | 6.8 | 0 | 0 | 0 | 109.7 | M47 M54 N55 G56 I58 | M47-D51 VanDerWaalsContact O-CB 3.3Å; M47-D51 WeakPolarHBondContact O-CB 3.33Å; M47-D51 PolarHBondContact O-N 3.39Å; D51-M54 WeakPolarHBondContact OD1-CA 3.3Å; D51-M54 PolarHBondContact OD1-N 2.96Å; D51-N55 PolarHBondContact OD1-N 3.44Å; D51-N55 VanDerWaalsContact OD1-N 3.17Å; D51-N55 PolarHBondContact OD2-N 2.92Å; D51-G56 VanDerWaalsContact OD2-CA 3.26Å; D51-G56 WeakPolarHBondContact OD2-CA 3.34Å; D51-G56 PolarHBondContact OD2-N 2.77Å; D51-I58 HydrophobicContact CB-CD1 4.2Å | ||
| 52 | S | 88.6 | Confident | 93.5 | Very high | 94 Ų | 94 | 49.7 Ų | 49.7 | 66% | 0.657 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -85.5 | -25.2 | -170.1 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | F50 E62 | F50-S52 PolarHBondContact O-N 3.14Å; F50-S52 PolarHBondContact O-OG 2.95Å; S52-E62 PolarHBondContact N-OE1 3.43Å |
| 53 | D | 90.9 | Very high | 93.5 | Very high | 102 Ų | 102 | 49.8 Ų | 49.8 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -93.1 | -4 | 176.4 | 74 | -3.4 | 0 | 0 | 0 | 113.1 | N55 | D53-N55 VanDerWaalsContact CG-ND2 3.28Å; D53-N55 PolarHBondContact O-N 2.94Å; D53-N55 VanDerWaalsContact OD1-CB 3.32Å; D53-N55 WeakPolarHBondContact OD1-CB 3.33Å; D53-N55 PolarHBondContact OD1-N 3.21Å; D53-N55 VanDerWaalsContact OD1-N 3.12Å; D53-N55 PolarHBondContact OD1-ND2 2.88Å; D53-N55 PolarHBondContact OD2-ND2 3.17Å |
| 54 | M | 88.9 | Confident | 93.5 | Very high | 166 Ų | 166 | 51 Ų | 51 | 82% | 0.818 | 29% | 0.292 | S | S | * | . | trans | 60.5 | 30.9 | 177.2 | -55.6 | -177.9 | 178.3 | 0 | 0 | 113 | D51 G56 | D51-M54 WeakPolarHBondContact OD1-CA 3.3Å; D51-M54 PolarHBondContact OD1-N 2.96Å; M54-G56 VanDerWaalsContact C-N 3.27Å | ||
| 55 | N | 93.1 | Very high | 93.5 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -82.8 | -5.1 | 179.7 | 75.5 | 24 | 0 | 0 | 0 | 113 | D51 D53 T57 | D51-N55 PolarHBondContact OD1-N 3.44Å; D51-N55 VanDerWaalsContact OD1-N 3.17Å; D51-N55 PolarHBondContact OD2-N 2.92Å; D53-N55 VanDerWaalsContact CG-ND2 3.28Å; D53-N55 PolarHBondContact O-N 2.94Å; D53-N55 VanDerWaalsContact OD1-CB 3.32Å; D53-N55 WeakPolarHBondContact OD1-CB 3.33Å; D53-N55 PolarHBondContact OD1-N 3.21Å; D53-N55 VanDerWaalsContact OD1-N 3.12Å; D53-N55 PolarHBondContact OD1-ND2 2.88Å; D53-N55 PolarHBondContact OD2-ND2 3.17Å; N55-T57 PolarHBondContact ND2-OG1 2.9Å; N55-T57 WeakPolarHBondContact OD1-CA 3.41Å; N55-T57 WeakPolarHBondContact OD1-CB 3.32Å; N55-T57 PolarHBondContact OD1-N 3.46Å; N55-T57 PolarHBondContact OD1-O 2.83Å; N55-T57 PolarHBondContact OD1-OG1 3.01Å |
| 56 | G | 93.2 | Very high | 93.6 | Very high | 46 Ų | 46 | 53.2 Ų | 53.2 | 47% | 0.474 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 83.4 | 9.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M47 D51 M54 | M47-G56 WeakPolarHBondContact CE-O 3.43Å; D51-G56 VanDerWaalsContact OD2-CA 3.26Å; D51-G56 WeakPolarHBondContact OD2-CA 3.34Å; D51-G56 PolarHBondContact OD2-N 2.77Å; M54-G56 VanDerWaalsContact C-N 3.27Å |
| 57 | T | 96.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 20% | 0.202 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -132.6 | 169.4 | -178.9 | 73 | 0 | 0 | 0 | 0 | 110.7 | N20 I21 N55 | N20-T57 HydrophobicContact CB-CG2 4.46Å; N20-T57 VanDerWaalsContact CB-OG1 3.29Å; N20-T57 WeakPolarHBondContact CB-OG1 3.2Å; I21-T57 CarbonylContact O-C 3.52Å; I21-T57 WeakPolarHBondContact O-CA 3.18Å; N55-T57 PolarHBondContact ND2-OG1 2.9Å; N55-T57 WeakPolarHBondContact OD1-CA 3.41Å; N55-T57 WeakPolarHBondContact OD1-CB 3.32Å; N55-T57 PolarHBondContact OD1-N 3.46Å; N55-T57 PolarHBondContact OD1-O 2.83Å; N55-T57 PolarHBondContact OD1-OG1 3.01Å |
| 58 | I | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -116 | 116 | 179.4 | -66.3 | -67.3 | 0 | 0 | 0 | 109.3 | N20 I21 M47 F50 D51 E62 F63 L66 | N20-I58 WeakPolarHBondContact CA-O 3.48Å; I21-I58 HydrophobicContact CB-CB 4.32Å; I21-I58 PolarHBondContact N-O 3.37Å; I21-I58 PolarHBondContact O-N 3.42Å; M47-I58 HydrophobicContact CB-CD1 4.26Å; M47-I58 HydrophobicContact CB-CG1 4.27Å; M47-I58 HydrophobicContact CE-CG1 3.83Å; M47-I58 HydrophobicContact CG-CD1 4.29Å; M47-I58 HydrophobicContact CG-CG1 3.81Å; F50-I58 HydrophobicContact CB-CD1 4.12Å; D51-I58 HydrophobicContact CB-CD1 4.2Å; I58-E62 HydrophobicContact CD1-CB 4.37Å; I58-E62 HydrophobicContact CG2-CB 3.95Å; I58-F63 HydrophobicContact CG2-CB 3.92Å; I58-F63 HydrophobicContact CG2-CD2 4.49Å; I58-L66 HydrophobicContact CB-CD2 4.49Å; I58-L66 HydrophobicContact CD1-CD2 4.18Å; I58-L66 HydrophobicContact CG1-CD2 3.85Å; I58-L66 HydrophobicContact CG2-CD2 4.11Å |
| 59 | S | 96.2 | Very high | 93.8 | Very high | 28 Ų | 28 | 60.1 Ų | 60.1 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | trans | -70.7 | 167.5 | 171.4 | 67.3 | 0 | 0 | 0 | 0 | 111.5 | N20 D61 E62 F63 | N20-S59 WeakPolarHBondContact OD1-CA 3.23Å; S59-D61 VanDerWaalsContact C-N 3.29Å; S59-D61 PolarHBondContact O-N 3.35Å; S59-E62 WeakPolarHBondContact CB-OE2 3.49Å; S59-E62 PolarHBondContact N-OE2 3.44Å; S59-E62 PolarHBondContact O-N 3.42Å; S59-E62 VanDerWaalsContact OG-CD 3.22Å; S59-E62 WeakPolarHBondContact OG-CG 3.46Å; S59-E62 PolarHBondContact OG-N 3.19Å; S59-E62 PolarHBondContact OG-OE2 3.28Å; S59-F63 WeakPolarHBondContact O-CB 3.16Å; S59-F63 PolarHBondContact O-N 3.49Å | ||
| 60 | F | 95.3 | Very high | 93.9 | Very high | 50 Ų | 50 | 56.6 Ų | 56.6 | 22% | 0.219 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.1 | -36 | 176.4 | -179.1 | -118 | 0 | 0 | 0 | 113.3 | L6 W7 F10 E62 F63 | L6-F60 HydrophobicContact CB-CE2 4.29Å; L6-F60 HydrophobicContact CB-CZ 4.44Å; L6-F60 HydrophobicContact CD2-CE2 3.94Å; L6-F60 HydrophobicContact CD2-CZ 4.12Å; L6-F60 HydrophobicContact CG-CE2 3.9Å; L6-F60 HydrophobicContact CG-CZ 4.37Å; W7-F60 HydrophobicContact CB-CE2 3.99Å; W7-F60 HydrophobicContact CB-CZ 3.85Å; W7-F60 HydrophobicContact CD2-CE2 4.5Å; W7-F60 HydrophobicContact CE3-CB 4.28Å; W7-F60 AromaticContact CE3-CD1 3.83Å; W7-F60 HydrophobicContact CE3-CD1 3.83Å; W7-F60 AromaticContact CE3-CD2 3.5Å; W7-F60 HydrophobicContact CE3-CD2 3.5Å; W7-F60 AromaticContact CE3-CE1 3.97Å; W7-F60 HydrophobicContact CE3-CE1 3.97Å; W7-F60 AromaticContact CE3-CE2 3.67Å; W7-F60 HydrophobicContact CE3-CE2 3.67Å; W7-F60 AromaticContact CE3-CG 3.58Å; W7-F60 HydrophobicContact CE3-CG 3.58Å; W7-F60 AromaticContact CE3-CZ 3.88Å; W7-F60 HydrophobicContact CE3-CZ 3.88Å; W7-F60 HydrophobicContact CZ3-CB 3.88Å; W7-F60 HydrophobicContact CZ3-CD1 4.07Å; W7-F60 AromaticContact CZ3-CD2 3.97Å; W7-F60 HydrophobicContact CZ3-CD2 3.97Å; W7-F60 AromaticContact CZ3-CG 3.69Å; W7-F60 HydrophobicContact CZ3-CG 3.69Å; F10-F60 HydrophobicContact CB-CD2 3.85Å; F10-F60 HydrophobicContact CB-CE2 4.16Å; F10-F60 HydrophobicContact CD1-CD2 4.35Å; F10-F60 HydrophobicContact CD2-CB 4.31Å; F10-F60 AromaticContact CD2-CD2 3.9Å; F10-F60 HydrophobicContact CD2-CD2 3.9Å; F10-F60 HydrophobicContact CE2-CB 4.17Å; F10-F60 AromaticContact CG-CD2 3.76Å; F10-F60 HydrophobicContact CG-CD2 3.76Å; F10-F60 HydrophobicContact CZ-CB 4.29Å; F60-E62 VanDerWaalsContact C-N 3.27Å; F60-E62 PolarHBondContact O-N 2.88Å; F60-F63 PolarHBondContact O-N 3.49Å |
| 61 | D | 93.1 | Very high | 94 | Very high | 139 Ų | 139 | 57.2 Ų | 57.2 | 74% | 0.743 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.6 | -32 | 179.2 | -70.9 | -29.1 | 0 | 0 | 0 | 112 | S59 | S59-D61 VanDerWaalsContact C-N 3.29Å; S59-D61 PolarHBondContact O-N 3.35Å |
| 62 | E | 94.4 | Very high | 94.2 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -82.7 | -35.5 | 176 | -67.2 | 161.7 | 150.5 | 0 | 0 | 111.7 | F50 S52 I58 S59 F60 G64 K65 L66 | F50-E62 WeakPolarHBondContact O-CG 3.35Å; F50-E62 VanDerWaalsContact O-OE1 3.08Å; S52-E62 PolarHBondContact N-OE1 3.43Å; I58-E62 HydrophobicContact CD1-CB 4.37Å; I58-E62 HydrophobicContact CG2-CB 3.95Å; S59-E62 WeakPolarHBondContact CB-OE2 3.49Å; S59-E62 PolarHBondContact N-OE2 3.44Å; S59-E62 PolarHBondContact O-N 3.42Å; S59-E62 VanDerWaalsContact OG-CD 3.22Å; S59-E62 WeakPolarHBondContact OG-CG 3.46Å; S59-E62 PolarHBondContact OG-N 3.19Å; S59-E62 PolarHBondContact OG-OE2 3.28Å; F60-E62 VanDerWaalsContact C-N 3.27Å; F60-E62 PolarHBondContact O-N 2.88Å; E62-G64 VanDerWaalsContact C-N 3.26Å; E62-G64 PolarHBondContact O-N 2.83Å; E62-K65 PolarHBondContact O-N 3.38Å; E62-L66 PolarHBondContact O-N 2.89Å; E62-L66 VanDerWaalsContact O-N 3.09Å |
| 63 | F | 95.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.9 | -38.9 | -176.4 | 179.1 | -110.4 | 0 | 0 | 0 | 112.7 | L6 I9 F10 I13 I21 I58 S59 F60 K65 L66 F67 | L6-F63 HydrophobicContact CD1-CD1 3.74Å; L6-F63 HydrophobicContact CD1-CE1 3.53Å; L6-F63 HydrophobicContact CD2-CD1 4.43Å; L6-F63 HydrophobicContact CG-CD1 3.87Å; L6-F63 HydrophobicContact CG-CE1 3.99Å; I9-F63 HydrophobicContact CB-CE1 4.36Å; I9-F63 HydrophobicContact CB-CZ 4.48Å; I9-F63 HydrophobicContact CG2-CE1 4.12Å; I9-F63 HydrophobicContact CG2-CZ 3.75Å; F10-F63 HydrophobicContact CB-CD1 3.98Å; F10-F63 HydrophobicContact CB-CE1 4.09Å; F10-F63 HydrophobicContact CD2-CB 3.74Å; F10-F63 AromaticContact CD2-CD1 3.86Å; F10-F63 HydrophobicContact CD2-CD1 3.86Å; F10-F63 HydrophobicContact CD2-CD2 4.23Å; F10-F63 AromaticContact CD2-CG 3.67Å; F10-F63 HydrophobicContact CD2-CG 3.67Å; F10-F63 HydrophobicContact CE2-CB 4.12Å; F10-F63 HydrophobicContact CE2-CG 4.43Å; F10-F63 HydrophobicContact CG-CD1 4.43Å; I13-F63 HydrophobicContact CD1-CE2 3.66Å; I13-F63 HydrophobicContact CD1-CZ 3.64Å; I21-F63 HydrophobicContact CD1-CD2 3.54Å; I21-F63 HydrophobicContact CD1-CE2 3.77Å; I21-F63 HydrophobicContact CD1-CG 4.18Å; I58-F63 HydrophobicContact CG2-CB 3.92Å; I58-F63 HydrophobicContact CG2-CD2 4.49Å; S59-F63 WeakPolarHBondContact O-CB 3.16Å; S59-F63 PolarHBondContact O-N 3.49Å; F60-F63 PolarHBondContact O-N 3.49Å; F63-K65 VanDerWaalsContact C-N 3.29Å; F63-K65 PolarHBondContact O-N 2.89Å; F63-L66 PolarHBondContact O-N 3.41Å; F63-F67 HydrophobicContact CE1-CB 4.26Å; F63-F67 HydrophobicContact CE1-CD2 4.32Å; F63-F67 HydrophobicContact CE1-CG 4.44Å; F63-F67 HydrophobicContact CE2-CB 4.37Å; F63-F67 HydrophobicContact CE2-CD2 4.42Å; F63-F67 HydrophobicContact CZ-CB 4.12Å; F63-F67 AromaticContact CZ-CD2 3.77Å; F63-F67 HydrophobicContact CZ-CD2 3.77Å; F63-F67 HydrophobicContact CZ-CG 4.24Å; F63-F67 WeakPolarHBondContact O-CB 3.37Å; F63-F67 PolarHBondContact O-N 3.43Å |
| 64 | G | 94.4 | Very high | 94.7 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.2 | -39.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E62 K68 | E62-G64 VanDerWaalsContact C-N 3.26Å; E62-G64 PolarHBondContact O-N 2.83Å; G64-K68 WeakPolarHBondContact O-CB 3.41Å; G64-K68 PolarHBondContact O-N 3.3Å; G64-K68 VanDerWaalsContact O-N 3.11Å |
| 65 | K | 94.3 | Very high | 95 | Very high | 134 Ų | 134 | 50 Ų | 50 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -72.1 | -45.5 | 178.3 | -60.8 | 175.6 | -172.6 | 164.5 | 0 | 110.7 | F50 E62 F63 K68 Y69 | F50-K65 HydrophobicContact CD1-CB 3.64Å; F50-K65 HydrophobicContact CD1-CD 4.44Å; F50-K65 HydrophobicContact CE1-CB 3.66Å; E62-K65 PolarHBondContact O-N 3.38Å; F63-K65 VanDerWaalsContact C-N 3.29Å; F63-K65 PolarHBondContact O-N 2.89Å; K65-K68 PolarHBondContact O-N 3.4Å; K65-Y69 WeakPolarHBondContact O-CB 3.4Å; K65-Y69 PolarHBondContact O-N 3.43Å |
| 66 | L | 95.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 176.7 | 176.2 | 59 | 0 | 0 | 0 | 111.9 | L26 M46 F50 I58 E62 F63 K68 Y69 V70 | L26-L66 HydrophobicContact CD2-CD2 3.65Å; M46-L66 HydrophobicContact CB-CD1 3.93Å; F50-L66 HydrophobicContact CD2-CB 4.02Å; F50-L66 HydrophobicContact CD2-CD1 3.75Å; F50-L66 HydrophobicContact CD2-CG 4.44Å; F50-L66 HydrophobicContact CE2-CB 4.46Å; F50-L66 HydrophobicContact CE2-CD1 3.93Å; F50-L66 HydrophobicContact CG-CB 4.23Å; I58-L66 HydrophobicContact CB-CD2 4.49Å; I58-L66 HydrophobicContact CD1-CD2 4.18Å; I58-L66 HydrophobicContact CG1-CD2 3.85Å; I58-L66 HydrophobicContact CG2-CD2 4.11Å; E62-L66 PolarHBondContact O-N 2.89Å; E62-L66 VanDerWaalsContact O-N 3.09Å; F63-L66 PolarHBondContact O-N 3.41Å; L66-K68 PolarHBondContact O-N 2.98Å; L66-Y69 WeakPolarHBondContact O-CB 3.34Å; L66-Y69 PolarHBondContact O-N 2.92Å; L66-Y69 VanDerWaalsContact O-N 3.15Å; L66-V70 HydrophobicContact CD1-CG2 4.25Å; L66-V70 WeakPolarHBondContact O-CG2 3.5Å; L66-V70 PolarHBondContact O-N 3.47Å |
| 67 | F | 94.7 | Very high | 95.2 | Very high | 50 Ų | 50 | 46 Ų | 46 | 22% | 0.219 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 178 | -175.7 | -97.3 | 0 | 0 | 0 | 111 | M1 L6 I9 F63 Y69 V70 N71 | M1-F67 HydrophobicContact CE-CD1 4.48Å; M1-F67 HydrophobicContact CE-CE1 3.4Å; M1-F67 HydrophobicContact CE-CZ 3.69Å; M1-F67 HydrophobicContact SD-CD1 4.35Å; M1-F67 HydrophobicContact SD-CE1 3.75Å; M1-F67 HydrophobicContact SD-CZ 4.29Å; L6-F67 HydrophobicContact CD1-CB 4.11Å; L6-F67 HydrophobicContact CD1-CD1 3.95Å; L6-F67 HydrophobicContact CD1-CG 4.03Å; I9-F67 HydrophobicContact CD1-CE2 4.09Å; I9-F67 HydrophobicContact CD1-CZ 3.87Å; I9-F67 HydrophobicContact CG2-CE2 4.27Å; F63-F67 HydrophobicContact CE1-CB 4.26Å; F63-F67 HydrophobicContact CE1-CD2 4.32Å; F63-F67 HydrophobicContact CE1-CG 4.44Å; F63-F67 HydrophobicContact CE2-CB 4.37Å; F63-F67 HydrophobicContact CE2-CD2 4.42Å; F63-F67 HydrophobicContact CZ-CB 4.12Å; F63-F67 AromaticContact CZ-CD2 3.77Å; F63-F67 HydrophobicContact CZ-CD2 3.77Å; F63-F67 HydrophobicContact CZ-CG 4.24Å; F63-F67 WeakPolarHBondContact O-CB 3.37Å; F63-F67 PolarHBondContact O-N 3.43Å; F67-Y69 VanDerWaalsContact C-N 3.33Å; F67-Y69 PolarHBondContact O-N 3.1Å; F67-V70 PolarHBondContact O-N 2.88Å; F67-N71 WeakPolarHBondContact CD1-ND2 3.32Å; F67-N71 WeakPolarHBondContact CE1-ND2 3.32Å; F67-N71 VanDerWaalsContact CZ-ND2 3.29Å; F67-N71 WeakPolarHBondContact CZ-ND2 3.33Å; F67-N71 PolarHBondContact O-N 2.9Å; F67-N71 VanDerWaalsContact O-N 3.09Å; F67-N71 PolarHBondContact O-ND2 2.94Å |
| 68 | K | 95.2 | Very high | 95.1 | Very high | 121 Ų | 121 | 51 Ų | 51 | 53% | 0.526 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.6 | -46.6 | 173.2 | 178.7 | 175.8 | 165.7 | 42.7 | 0 | 111.2 | G64 K65 L66 V70 N71 D72 | G64-K68 WeakPolarHBondContact O-CB 3.41Å; G64-K68 PolarHBondContact O-N 3.3Å; G64-K68 VanDerWaalsContact O-N 3.11Å; K65-K68 PolarHBondContact O-N 3.4Å; L66-K68 PolarHBondContact O-N 2.98Å; K68-V70 PolarHBondContact O-N 2.81Å; K68-N71 PolarHBondContact O-N 3.17Å; K68-D72 WeakPolarHBondContact CE-OD2 3.25Å; K68-D72 IonicContact NZ-OD1 3.34Å; K68-D72 PolarHBondContact NZ-OD1 3.42Å; K68-D72 IonicContact NZ-OD2 2.79Å; K68-D72 PolarHBondContact NZ-OD2 3.4Å; K68-D72 VanDerWaalsContact O-CG 3.29Å; K68-D72 PolarHBondContact O-N 3.19Å |
| 69 | Y | 95.7 | Very high | 95 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.1 | -46.2 | -179.6 | -177.3 | -102.4 | 0 | 0 | 0 | 112.5 | M46 M49 F50 K65 L66 F67 N71 D72 W73 V134 | M46-Y69 HydrophobicContact CG-CE1 4.1Å; M46-Y69 HydrophobicContact SD-CD1 4.46Å; M46-Y69 HydrophobicContact SD-CE1 4.37Å; M49-Y69 HydrophobicContact CE-CE1 4.48Å; M49-Y69 HydrophobicContact CE-CE2 4.08Å; M49-Y69 HydrophobicContact SD-CE1 4.45Å; F50-Y69 AromaticContact CE2-CD1 3.89Å; F50-Y69 HydrophobicContact CE2-CD1 3.89Å; F50-Y69 HydrophobicContact CE2-CD2 4.41Å; F50-Y69 HydrophobicContact CE2-CE1 4.48Å; F50-Y69 AromaticContact CE2-CG 3.84Å; F50-Y69 HydrophobicContact CE2-CG 3.84Å; F50-Y69 HydrophobicContact CZ-CD1 4.24Å; F50-Y69 AromaticContact CZ-CD2 3.97Å; F50-Y69 HydrophobicContact CZ-CD2 3.97Å; F50-Y69 AromaticContact CZ-CG 3.7Å; F50-Y69 HydrophobicContact CZ-CG 3.7Å; K65-Y69 WeakPolarHBondContact O-CB 3.4Å; K65-Y69 PolarHBondContact O-N 3.43Å; L66-Y69 WeakPolarHBondContact O-CB 3.34Å; L66-Y69 PolarHBondContact O-N 2.92Å; L66-Y69 VanDerWaalsContact O-N 3.15Å; F67-Y69 VanDerWaalsContact C-N 3.33Å; F67-Y69 PolarHBondContact O-N 3.1Å; Y69-N71 PolarHBondContact O-N 3.46Å; Y69-D72 PolarHBondContact O-N 3.08Å; Y69-W73 AromaticContact CD1-CD1 3.78Å; Y69-W73 AromaticContact CE1-CD1 3.43Å; Y69-W73 VanDerWaalsContact CE1-CD1 3.43Å; Y69-W73 AromaticContact CE1-NE1 3.26Å; Y69-W73 VanDerWaalsContact CE1-NE1 3.26Å; Y69-W73 AromaticContact CE2-NE1 3.56Å; Y69-W73 AromaticContact CZ-CD1 3.6Å; Y69-W73 AromaticContact CZ-NE1 2.98Å; Y69-W73 PolarHBondContact O-N 3.01Å; Y69-W73 PolarHBondContact OH-NE1 3.1Å; Y69-V134 WeakPolarHBondContact OH-CG2 3.39Å |
| 70 | V | 94.8 | Very high | 95 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.2 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | L30 M46 L66 F67 K68 W73 Q74 | L30-V70 HydrophobicContact CD2-CG1 3.95Å; M46-V70 HydrophobicContact CE-CG2 4.34Å; M46-V70 HydrophobicContact SD-CG2 3.9Å; L66-V70 HydrophobicContact CD1-CG2 4.25Å; L66-V70 WeakPolarHBondContact O-CG2 3.5Å; L66-V70 PolarHBondContact O-N 3.47Å; F67-V70 PolarHBondContact O-N 2.88Å; K68-V70 PolarHBondContact O-N 2.81Å; V70-W73 WeakPolarHBondContact O-CB 3.44Å; V70-W73 PolarHBondContact O-N 2.86Å; V70-Q74 WeakPolarHBondContact O-CG 3.34Å; V70-Q74 PolarHBondContact O-N 3.43Å |
| 71 | N | 94.6 | Very high | 94.9 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 177.6 | -77.3 | -66.6 | 0 | 0 | 0 | 112.6 | F67 K68 Y69 W73 Q74 N75 | F67-N71 WeakPolarHBondContact CD1-ND2 3.32Å; F67-N71 WeakPolarHBondContact CE1-ND2 3.32Å; F67-N71 VanDerWaalsContact CZ-ND2 3.29Å; F67-N71 WeakPolarHBondContact CZ-ND2 3.33Å; F67-N71 PolarHBondContact O-N 2.9Å; F67-N71 VanDerWaalsContact O-N 3.09Å; F67-N71 PolarHBondContact O-ND2 2.94Å; K68-N71 PolarHBondContact O-N 3.17Å; Y69-N71 PolarHBondContact O-N 3.46Å; N71-W73 VanDerWaalsContact C-N 3.29Å; N71-W73 PolarHBondContact O-N 2.72Å; N71-Q74 PolarHBondContact O-N 3.23Å; N71-Q74 PolarHBondContact OD1-OE1 2.81Å; N71-N75 PolarHBondContact O-N 3.16Å; N71-N75 PolarHBondContact O-ND2 2.87Å; N71-N75 VanDerWaalsContact O-ND2 3.15Å |
| 72 | D | 96.2 | Very high | 94.8 | Very high | 75 Ų | 75 | 56.8 Ų | 56.8 | 40% | 0.401 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 176.6 | -69.7 | -18.2 | 0 | 0 | 0 | 110.2 | K68 Y69 N75 C76 | K68-D72 WeakPolarHBondContact CE-OD2 3.25Å; K68-D72 IonicContact NZ-OD1 3.34Å; K68-D72 PolarHBondContact NZ-OD1 3.42Å; K68-D72 IonicContact NZ-OD2 2.79Å; K68-D72 PolarHBondContact NZ-OD2 3.4Å; K68-D72 VanDerWaalsContact O-CG 3.29Å; K68-D72 PolarHBondContact O-N 3.19Å; Y69-D72 PolarHBondContact O-N 3.08Å; D72-N75 PolarHBondContact O-N 2.78Å; D72-C76 WeakPolarHBondContact O-CB 3.45Å; D72-C76 PolarHBondContact O-N 2.85Å |
| 73 | W | 96.2 | Very high | 94.6 | Very high | 29 Ų | 29 | 60.9 Ų | 60.9 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 171 | -86 | 117.8 | 0 | 0 | 0 | 113.5 | Y69 V70 N71 N75 C76 F77 F100 F126 F129 I130 C133 V134 | Y69-W73 AromaticContact CD1-CD1 3.78Å; Y69-W73 AromaticContact CE1-CD1 3.43Å; Y69-W73 VanDerWaalsContact CE1-CD1 3.43Å; Y69-W73 AromaticContact CE1-NE1 3.26Å; Y69-W73 VanDerWaalsContact CE1-NE1 3.26Å; Y69-W73 AromaticContact CE2-NE1 3.56Å; Y69-W73 AromaticContact CZ-CD1 3.6Å; Y69-W73 AromaticContact CZ-NE1 2.98Å; Y69-W73 PolarHBondContact O-N 3.01Å; Y69-W73 PolarHBondContact OH-NE1 3.1Å; V70-W73 WeakPolarHBondContact O-CB 3.44Å; V70-W73 PolarHBondContact O-N 2.86Å; N71-W73 VanDerWaalsContact C-N 3.29Å; N71-W73 PolarHBondContact O-N 2.72Å; W73-N75 VanDerWaalsContact C-N 3.33Å; W73-N75 PolarHBondContact O-N 3.28Å; W73-C76 HydrophobicContact CE3-CB 4.44Å; W73-C76 WeakPolarHBondContact O-CB 3.43Å; W73-C76 PolarHBondContact O-N 3.47Å; W73-F77 WeakPolarHBondContact O-CB 3.41Å; W73-F77 PolarHBondContact O-N 3.39Å; W73-F100 HydrophobicContact CZ3-CE2 4.34Å; W73-F100 HydrophobicContact CZ3-CZ 4.16Å; W73-F126 HydrophobicContact CB-CE2 3.9Å; W73-F126 HydrophobicContact CB-CZ 4.01Å; W73-F129 HydrophobicContact CE3-CD1 4.3Å; W73-F129 AromaticContact CE3-CE1 3.92Å; W73-F129 HydrophobicContact CE3-CE1 3.92Å; W73-F129 HydrophobicContact CZ3-CD1 4.27Å; W73-F129 AromaticContact CZ3-CE1 3.66Å; W73-F129 HydrophobicContact CZ3-CE1 3.66Å; W73-F129 HydrophobicContact CZ3-CZ 4.36Å; W73-I130 HydrophobicContact CB-CD1 4.01Å; W73-I130 HydrophobicContact CB-CG1 3.96Å; W73-I130 HydrophobicContact CD2-CG1 3.94Å; W73-I130 HydrophobicContact CE3-CG1 4.31Å; W73-I130 HydrophobicContact CG-CD1 4.21Å; W73-I130 HydrophobicContact CG-CG1 3.78Å; W73-C133 HydrophobicContact CH2-CB 3.48Å; W73-C133 VanDerWaalsContact CH2-CB 3.48Å; W73-C133 HydrophobicContact CZ2-CB 4.23Å; W73-C133 HydrophobicContact CZ3-CB 4.07Å; W73-V134 HydrophobicContact CZ2-CG2 4.25Å |
| 74 | Q | 94.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 67.2 Ų | 67.2 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.4 | -74 | 179.7 | -18.3 | 0 | 0 | 111.8 | V70 N71 C76 F77 R78 F126 | V70-Q74 WeakPolarHBondContact O-CG 3.34Å; V70-Q74 PolarHBondContact O-N 3.43Å; N71-Q74 PolarHBondContact O-N 3.23Å; N71-Q74 PolarHBondContact OD1-OE1 2.81Å; Q74-C76 VanDerWaalsContact C-N 3.31Å; Q74-F77 PolarHBondContact O-N 2.8Å; Q74-R78 WeakPolarHBondContact O-CG 3.27Å; Q74-R78 PolarHBondContact O-N 2.78Å; Q74-R78 VanDerWaalsContact O-N 3.08Å; Q74-F126 HydrophobicContact CB-CE2 4.41Å; Q74-F126 HydrophobicContact CB-CZ 4.18Å; Q74-F126 HydrophobicContact CG-CE1 3.65Å; Q74-F126 HydrophobicContact CG-CE2 3.91Å; Q74-F126 HydrophobicContact CG-CZ 3.27Å |
| 75 | N | 95 | Very high | 94.3 | Very high | 73 Ų | 73 | 68 Ų | 68 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 174.8 | -74.7 | -38.4 | 0 | 0 | 0 | 111.4 | N71 D72 W73 R78 Q79 | N71-N75 PolarHBondContact O-N 3.16Å; N71-N75 PolarHBondContact O-ND2 2.87Å; N71-N75 VanDerWaalsContact O-ND2 3.15Å; D72-N75 PolarHBondContact O-N 2.78Å; W73-N75 VanDerWaalsContact C-N 3.33Å; W73-N75 PolarHBondContact O-N 3.28Å; N75-R78 PolarHBondContact OD1-NH2 3.1Å; N75-Q79 WeakPolarHBondContact O-CG 3.46Å; N75-Q79 PolarHBondContact O-N 2.95Å; N75-Q79 PolarHBondContact O-NE2 3.24Å |
| 76 | C | 94.8 | Very high | 94.2 | Very high | 23 Ų | 23 | 62.5 Ų | 62.5 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 177.8 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | D72 W73 Q74 R78 Q79 F80 F100 | D72-C76 WeakPolarHBondContact O-CB 3.45Å; D72-C76 PolarHBondContact O-N 2.85Å; W73-C76 HydrophobicContact CE3-CB 4.44Å; W73-C76 WeakPolarHBondContact O-CB 3.43Å; W73-C76 PolarHBondContact O-N 3.47Å; Q74-C76 VanDerWaalsContact C-N 3.31Å; C76-R78 PolarHBondContact O-N 3.13Å; C76-Q79 WeakPolarHBondContact O-CB 3.24Å; C76-Q79 PolarHBondContact O-N 2.84Å; C76-Q79 VanDerWaalsContact O-N 3.09Å; C76-F80 VanDerWaalsContact O-CD2 3.26Å; C76-F80 WeakPolarHBondContact O-CD2 3.31Å; C76-F100 WeakPolarHBondContact SG-CZ 3.42Å |
| 77 | F | 95.6 | Very high | 94.1 | Very high | 13 Ų | 13 | 62.6 Ų | 62.6 | 6% | 0.057 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.9 | -47.3 | 177.7 | -177.3 | -87.4 | 0 | 0 | 0 | 111.8 | W73 Q74 Q79 F80 D81 I88 F126 F129 | W73-F77 WeakPolarHBondContact O-CB 3.41Å; W73-F77 PolarHBondContact O-N 3.39Å; Q74-F77 PolarHBondContact O-N 2.8Å; F77-Q79 PolarHBondContact O-N 3.08Å; F77-Q79 VanDerWaalsContact O-N 3.16Å; F77-F80 PolarHBondContact O-N 3.08Å; F77-D81 HydrophobicContact CD1-CB 4.12Å; F77-D81 HydrophobicContact CE1-CB 3.8Å; F77-D81 HydrophobicContact CZ-CB 4.44Å; F77-D81 PolarHBondContact O-N 2.76Å; F77-I88 HydrophobicContact CD2-CD1 4.34Å; F77-I88 HydrophobicContact CD2-CG1 3.71Å; F77-I88 HydrophobicContact CE2-CB 4.34Å; F77-I88 HydrophobicContact CE2-CD1 4.22Å; F77-I88 HydrophobicContact CE2-CG1 3.31Å; F77-I88 HydrophobicContact CZ-CG1 3.85Å; F77-F126 HydrophobicContact CB-CD2 3.72Å; F77-F126 HydrophobicContact CB-CE2 4.04Å; F77-F126 HydrophobicContact CD1-CD2 4.35Å; F77-F126 HydrophobicContact CD2-CB 4.14Å; F77-F126 AromaticContact CD2-CD2 3.73Å; F77-F126 HydrophobicContact CD2-CD2 3.73Å; F77-F126 HydrophobicContact CD2-CG 4.44Å; F77-F126 HydrophobicContact CE1-CB 4.44Å; F77-F126 VanDerWaalsContact CE2-CA 3.42Å; F77-F126 HydrophobicContact CE2-CB 3.94Å; F77-F126 HydrophobicContact CE2-CD2 4.39Å; F77-F126 HydrophobicContact CG-CB 4.42Å; F77-F126 AromaticContact CG-CD2 3.68Å; F77-F126 HydrophobicContact CG-CD2 3.68Å; F77-F126 HydrophobicContact CG-CE2 4.48Å; F77-F126 HydrophobicContact CG-CG 4.48Å; F77-F126 HydrophobicContact CZ-CB 4.1Å; F77-F129 HydrophobicContact CD2-CB 4.16Å; F77-F129 AromaticContact CD2-CD1 3.8Å; F77-F129 HydrophobicContact CD2-CD1 3.8Å; F77-F129 HydrophobicContact CD2-CE1 4.44Å; F77-F129 HydrophobicContact CD2-CG 4.08Å; F77-F129 HydrophobicContact CE2-CB 4.2Å; F77-F129 HydrophobicContact CE2-CG 4.47Å |
| 78 | R | 94.4 | Very high | 94.2 | Very high | 138 Ų | 138 | 60.2 Ų | 60.2 | 52% | 0.521 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -23.3 | 177.1 | -76.8 | -169.9 | -68.8 | -98.8 | 3.2 | 114.6 | Q74 N75 C76 F80 | Q74-R78 WeakPolarHBondContact O-CG 3.27Å; Q74-R78 PolarHBondContact O-N 2.78Å; Q74-R78 VanDerWaalsContact O-N 3.08Å; N75-R78 PolarHBondContact OD1-NH2 3.1Å; C76-R78 PolarHBondContact O-N 3.13Å; R78-F80 VanDerWaalsContact C-N 3.28Å |
| 79 | Q | 95.6 | Very high | 94.2 | Very high | 135 Ų | 135 | 56.5 Ų | 56.5 | 63% | 0.631 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -74.9 | -23.3 | 175.7 | -69.4 | 170.4 | 32.9 | 0 | 0 | 112.1 | N75 C76 F77 | N75-Q79 WeakPolarHBondContact O-CG 3.46Å; N75-Q79 PolarHBondContact O-N 2.95Å; N75-Q79 PolarHBondContact O-NE2 3.24Å; C76-Q79 WeakPolarHBondContact O-CB 3.24Å; C76-Q79 PolarHBondContact O-N 2.84Å; C76-Q79 VanDerWaalsContact O-N 3.09Å; F77-Q79 PolarHBondContact O-N 3.08Å; F77-Q79 VanDerWaalsContact O-N 3.16Å |
| 80 | F | 95.2 | Very high | 94.2 | Very high | 14 Ų | 14 | 58.1 Ų | 58.1 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -104.1 | -31.8 | -176.7 | -62 | -59.7 | 0 | 0 | 0 | 113.5 | C76 F77 R78 R82 I88 E92 T95 A96 R99 F100 F129 | C76-F80 VanDerWaalsContact O-CD2 3.26Å; C76-F80 WeakPolarHBondContact O-CD2 3.31Å; F77-F80 PolarHBondContact O-N 3.08Å; R78-F80 VanDerWaalsContact C-N 3.28Å; F80-R82 PolarHBondContact O-N 2.84Å; F80-I88 VanDerWaalsContact C-CD1 3.48Å; F80-I88 HydrophobicContact CB-CD1 3.54Å; F80-E92 WeakPolarHBondContact O-CB 3.37Å; F80-E92 WeakPolarHBondContact O-CG 3.31Å; F80-E92 VanDerWaalsContact O-OE1 3.07Å; F80-T95 HydrophobicContact CD1-CG2 4.34Å; F80-T95 HydrophobicContact CE1-CG2 4.36Å; F80-A96 HydrophobicContact CB-CB 4.3Å; F80-A96 HydrophobicContact CD1-CB 3.86Å; F80-A96 HydrophobicContact CD2-CB 3.54Å; F80-A96 HydrophobicContact CE1-CB 4.03Å; F80-A96 HydrophobicContact CE2-CB 3.69Å; F80-A96 HydrophobicContact CG-CB 3.63Å; F80-A96 HydrophobicContact CZ-CB 3.94Å; F80-R99 HydrophobicContact CE1-CB 4.11Å; F80-R99 HydrophobicContact CE1-CG 4.39Å; F80-R99 HydrophobicContact CZ-CB 3.85Å; F80-R99 HydrophobicContact CZ-CG 3.93Å; F80-F100 AromaticContact CE2-CE1 3.88Å; F80-F100 HydrophobicContact CE2-CE1 3.88Å; F80-F100 AromaticContact CE2-CZ 3.79Å; F80-F100 HydrophobicContact CE2-CZ 3.79Å; F80-F100 HydrophobicContact CZ-CE1 4.27Å; F80-F129 HydrophobicContact CD2-CZ 4.49Å |
| 81 | D | 94.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.059 | 31% | 0.308 | C | S | . | . | trans | -71.7 | 77.9 | 169.9 | 177.3 | 13.3 | 0 | 0 | 0 | 109.2 | F77 D83 N84 S85 G86 I88 | F77-D81 HydrophobicContact CD1-CB 4.12Å; F77-D81 HydrophobicContact CE1-CB 3.8Å; F77-D81 HydrophobicContact CZ-CB 4.44Å; F77-D81 PolarHBondContact O-N 2.76Å; D81-D83 VanDerWaalsContact OD1-OD1 3.12Å; D81-N84 VanDerWaalsContact OD1-CA 3.24Å; D81-N84 WeakPolarHBondContact OD1-CA 3.29Å; D81-N84 PolarHBondContact OD1-N 3.38Å; D81-N84 VanDerWaalsContact OD1-N 3.11Å; D81-S85 PolarHBondContact OD1-N 3.11Å; D81-S85 PolarHBondContact OD1-OG 2.9Å; D81-G86 WeakPolarHBondContact OD2-CA 3.32Å; D81-G86 PolarHBondContact OD2-N 2.86Å; D81-I88 HydrophobicContact CB-CD1 3.95Å; D81-I88 VanDerWaalsContact N-CD1 3.29Å | ||
| 82 | R | 90.9 | Very high | 94.3 | Very high | 178 Ų | 178 | 62.3 Ų | 62.3 | 67% | 0.672 | 30% | 0.299 | S | S | * | . | trans | -78.4 | -30.8 | -170.3 | -73.8 | -178.9 | 179.2 | 174.3 | 1.4 | 111.7 | F80 N84 E92 | F80-R82 PolarHBondContact O-N 2.84Å; R82-N84 VanDerWaalsContact C-N 3.25Å; R82-E92 PolarHBondContact N-OE1 3.45Å | ||
| 83 | D | 90.7 | Very high | 94.3 | Very high | 101 Ų | 101 | 58.7 Ų | 58.7 | 54% | 0.54 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -83.6 | -2.9 | 177.4 | 75.6 | -8.2 | 0 | 0 | 0 | 112.8 | D81 S85 | D81-D83 VanDerWaalsContact OD1-OD1 3.12Å; D83-S85 PolarHBondContact O-N 3.24Å; D83-S85 WeakPolarHBondContact OD1-CB 3.37Å; D83-S85 PolarHBondContact OD1-N 3.28Å; D83-S85 PolarHBondContact OD1-OG 3.4Å |
| 84 | N | 90.5 | Very high | 94.3 | Very high | 135 Ų | 135 | 59.3 Ų | 59.3 | 72% | 0.722 | 29% | 0.288 | S | S | * | . | trans | 55.3 | 34.1 | -175.8 | -59 | -80.5 | 0 | 0 | 0 | 112.3 | D81 R82 G86 | D81-N84 VanDerWaalsContact OD1-CA 3.24Å; D81-N84 WeakPolarHBondContact OD1-CA 3.29Å; D81-N84 PolarHBondContact OD1-N 3.38Å; D81-N84 VanDerWaalsContact OD1-N 3.11Å; R82-N84 VanDerWaalsContact C-N 3.25Å; N84-G86 PolarHBondContact O-N 2.83Å | ||
| 85 | S | 91.2 | Very high | 94.4 | Very high | 43 Ų | 43 | 59.1 Ų | 59.1 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | trans | -70.4 | -14.2 | 176.5 | 66 | 0 | 0 | 0 | 0 | 112.8 | D81 D83 S87 | D81-S85 PolarHBondContact OD1-N 3.11Å; D81-S85 PolarHBondContact OD1-OG 2.9Å; D83-S85 PolarHBondContact O-N 3.24Å; D83-S85 WeakPolarHBondContact OD1-CB 3.37Å; D83-S85 PolarHBondContact OD1-N 3.28Å; D83-S85 PolarHBondContact OD1-OG 3.4Å; S85-S87 PolarHBondContact OG-N 3.17Å; S85-S87 PolarHBondContact OG-O 3.45Å; S85-S87 VanDerWaalsContact OG-O 3.07Å; S85-S87 PolarHBondContact OG-OG 3.02Å; S85-S87 VanDerWaalsContact OG-OG 3.07Å | ||
| 86 | G | 91.8 | Very high | 94.4 | Very high | 17 Ų | 17 | 55.7 Ų | 55.7 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 76.9 | 13 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D81 N84 | D81-G86 WeakPolarHBondContact OD2-CA 3.32Å; D81-G86 PolarHBondContact OD2-N 2.86Å; N84-G86 PolarHBondContact O-N 2.83Å |
| 87 | S | 94.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 3% | 0.028 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 163.3 | 179.1 | 66.4 | 0 | 0 | 0 | 0 | 110.4 | S85 S123 I124 | S85-S87 PolarHBondContact OG-N 3.17Å; S85-S87 PolarHBondContact OG-O 3.45Å; S85-S87 VanDerWaalsContact OG-O 3.07Å; S85-S87 PolarHBondContact OG-OG 3.02Å; S85-S87 VanDerWaalsContact OG-OG 3.07Å; S87-S123 VanDerWaalsContact CB-OG 3.27Å; S87-S123 WeakPolarHBondContact CB-OG 3.16Å; S87-S123 WeakPolarHBondContact OG-CB 3.28Å; S87-S123 PolarHBondContact OG-OG 3.23Å; S87-I124 CarbonylContact C-O 3.57Å; S87-I124 WeakPolarHBondContact CA-O 3.37Å |
| 88 | I | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 115.9 | 176.8 | -68.6 | -70.4 | 0 | 0 | 0 | 108.6 | F77 F80 D81 E92 L93 S123 I124 F129 | F77-I88 HydrophobicContact CD2-CD1 4.34Å; F77-I88 HydrophobicContact CD2-CG1 3.71Å; F77-I88 HydrophobicContact CE2-CB 4.34Å; F77-I88 HydrophobicContact CE2-CD1 4.22Å; F77-I88 HydrophobicContact CE2-CG1 3.31Å; F77-I88 HydrophobicContact CZ-CG1 3.85Å; F80-I88 VanDerWaalsContact C-CD1 3.48Å; F80-I88 HydrophobicContact CB-CD1 3.54Å; D81-I88 HydrophobicContact CB-CD1 3.95Å; D81-I88 VanDerWaalsContact N-CD1 3.29Å; I88-E92 WeakPolarHBondContact CA-OE2 3.49Å; I88-E92 HydrophobicContact CD1-CB 4.11Å; I88-E92 HydrophobicContact CG2-CB 3.84Å; I88-L93 HydrophobicContact CG2-CB 3.74Å; I88-L93 HydrophobicContact CG2-CD1 4.35Å; I88-L93 VanDerWaalsContact CG2-N 3.33Å; I88-S123 CarbonylContact O-C 3.56Å; I88-S123 VanDerWaalsContact O-CA 3.24Å; I88-S123 WeakPolarHBondContact O-CA 3.49Å; I88-S123 WeakPolarHBondContact O-CB 3.37Å; I88-I124 PolarHBondContact N-O 3.07Å; I88-I124 PolarHBondContact O-N 2.82Å; I88-F129 HydrophobicContact CG1-CD2 4.36Å; I88-F129 HydrophobicContact CG2-CD2 4.44Å |
| 89 | D | 95.1 | Very high | 94.7 | Very high | 44 Ų | 44 | 63 Ų | 63 | 24% | 0.235 | 30% | 0.304 | C | S | . | . | trans | -77.8 | -175.6 | 174.7 | 78.6 | 24.1 | 0 | 0 | 0 | 112.6 | Q91 E92 L93 | D89-Q91 WeakPolarHBondContact OD1-CA 3.24Å; D89-Q91 WeakPolarHBondContact OD1-CB 3.43Å; D89-Q91 PolarHBondContact OD1-N 2.89Å; D89-Q91 PolarHBondContact OD1-OE1 3.44Å; D89-E92 PolarHBondContact N-OE2 3.46Å; D89-E92 WeakPolarHBondContact OD1-CG 3.41Å; D89-E92 PolarHBondContact OD1-N 2.97Å; D89-L93 WeakPolarHBondContact O-CB 3.36Å; D89-L93 PolarHBondContact O-N 3Å | ||
| 90 | R | 95.6 | Very high | 94.7 | Very high | 74 Ų | 74 | 60 Ų | 60 | 28% | 0.279 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | -178.2 | -60.1 | 161.1 | -163.7 | -71.1 | -5.6 | 112 | S94 I109 N110 V113 | R90-S94 WeakPolarHBondContact O-CB 3.35Å; R90-S94 PolarHBondContact O-N 3.01Å; R90-I109 HydrophobicContact CB-CG2 4.43Å; R90-I109 WeakPolarHBondContact O-CG2 3.44Å; R90-N110 WeakPolarHBondContact CD-OD1 3.26Å; R90-N110 PolarHBondContact NH1-OD1 2.9Å; R90-V113 HydrophobicContact CG-CG2 4Å |
| 91 | Q | 95.4 | Very high | 94.7 | Very high | 132 Ų | 132 | 62.4 Ų | 62.4 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.4 | -42.7 | -179.1 | -67.8 | 89.7 | -33 | 0 | 0 | 110.8 | D89 S94 T95 | D89-Q91 WeakPolarHBondContact OD1-CA 3.24Å; D89-Q91 WeakPolarHBondContact OD1-CB 3.43Å; D89-Q91 PolarHBondContact OD1-N 2.89Å; D89-Q91 PolarHBondContact OD1-OE1 3.44Å; Q91-S94 PolarHBondContact O-N 3.26Å; Q91-T95 PolarHBondContact O-N 2.91Å; Q91-T95 PolarHBondContact O-OG1 3.33Å |
| 92 | E | 96.2 | Very high | 94.8 | Very high | 14 Ų | 14 | 64.1 Ų | 64.1 | 7% | 0.065 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 176.2 | -65.7 | 176 | 145 | 0 | 0 | 111 | F80 R82 I88 D89 S94 T95 A96 | F80-E92 WeakPolarHBondContact O-CB 3.37Å; F80-E92 WeakPolarHBondContact O-CG 3.31Å; F80-E92 VanDerWaalsContact O-OE1 3.07Å; R82-E92 PolarHBondContact N-OE1 3.45Å; I88-E92 WeakPolarHBondContact CA-OE2 3.49Å; I88-E92 HydrophobicContact CD1-CB 4.11Å; I88-E92 HydrophobicContact CG2-CB 3.84Å; D89-E92 PolarHBondContact N-OE2 3.46Å; D89-E92 WeakPolarHBondContact OD1-CG 3.41Å; D89-E92 PolarHBondContact OD1-N 2.97Å; E92-S94 VanDerWaalsContact C-N 3.35Å; E92-S94 PolarHBondContact O-N 3.3Å; E92-T95 WeakPolarHBondContact O-CB 3.47Å; E92-T95 PolarHBondContact O-N 2.71Å; E92-A96 WeakPolarHBondContact O-CB 3.39Å; E92-A96 PolarHBondContact O-N 2.84Å |
| 93 | L | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.1 | -175.6 | 60.1 | 0 | 0 | 0 | 111.4 | I88 D89 T95 A96 L97 I109 M112 V113 I124 F129 | I88-L93 HydrophobicContact CG2-CB 3.74Å; I88-L93 HydrophobicContact CG2-CD1 4.35Å; I88-L93 VanDerWaalsContact CG2-N 3.33Å; D89-L93 WeakPolarHBondContact O-CB 3.36Å; D89-L93 PolarHBondContact O-N 3Å; L93-T95 VanDerWaalsContact C-N 3.28Å; L93-T95 PolarHBondContact O-N 3.38Å; L93-A96 PolarHBondContact O-N 3.07Å; L93-L97 HydrophobicContact CD1-CD1 3.79Å; L93-L97 HydrophobicContact CD1-CG 3.98Å; L93-L97 HydrophobicContact CD2-CD1 4.37Å; L93-L97 HydrophobicContact CG-CD1 3.74Å; L93-L97 HydrophobicContact CG-CG 4.3Å; L93-L97 WeakPolarHBondContact O-CB 3.25Å; L93-L97 WeakPolarHBondContact O-CG 3.38Å; L93-L97 PolarHBondContact O-N 2.99Å; L93-I109 HydrophobicContact CB-CG2 4.35Å; L93-I109 HydrophobicContact CD2-CG2 4.11Å; L93-I109 HydrophobicContact CG-CG2 4.37Å; L93-M112 HydrophobicContact CD2-CB 4.19Å; L93-V113 HydrophobicContact CD2-CG2 3.59Å; L93-I124 HydrophobicContact CD1-CD1 4.39Å; L93-I124 HydrophobicContact CD2-CD1 3.65Å; L93-F129 HydrophobicContact CD1-CD2 4.09Å; L93-F129 HydrophobicContact CD1-CE2 3.96Å |
| 94 | S | 96.7 | Very high | 95.1 | Very high | 41 Ų | 41 | 60.6 Ų | 60.6 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 176.5 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | R90 Q91 E92 M98 | R90-S94 WeakPolarHBondContact O-CB 3.35Å; R90-S94 PolarHBondContact O-N 3.01Å; Q91-S94 PolarHBondContact O-N 3.26Å; E92-S94 VanDerWaalsContact C-N 3.35Å; E92-S94 PolarHBondContact O-N 3.3Å; S94-M98 VanDerWaalsContact O-CB 3.31Å; S94-M98 WeakPolarHBondContact O-CB 3.41Å; S94-M98 PolarHBondContact O-N 3.04Å; S94-M98 VanDerWaalsContact O-N 3.08Å |
| 95 | T | 96 | Very high | 95.4 | Very high | 52 Ų | 52 | 56.9 Ų | 56.9 | 32% | 0.319 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 177.9 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | F80 Q91 E92 L93 R99 | F80-T95 HydrophobicContact CD1-CG2 4.34Å; F80-T95 HydrophobicContact CE1-CG2 4.36Å; Q91-T95 PolarHBondContact O-N 2.91Å; Q91-T95 PolarHBondContact O-OG1 3.33Å; E92-T95 WeakPolarHBondContact O-CB 3.47Å; E92-T95 PolarHBondContact O-N 2.71Å; L93-T95 VanDerWaalsContact C-N 3.28Å; L93-T95 PolarHBondContact O-N 3.38Å; T95-R99 WeakPolarHBondContact O-CB 3.17Å; T95-R99 PolarHBondContact O-N 2.96Å |
| 96 | A | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.7 | -50.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | F80 E92 L93 M98 R99 F100 F129 | F80-A96 HydrophobicContact CB-CB 4.3Å; F80-A96 HydrophobicContact CD1-CB 3.86Å; F80-A96 HydrophobicContact CD2-CB 3.54Å; F80-A96 HydrophobicContact CE1-CB 4.03Å; F80-A96 HydrophobicContact CE2-CB 3.69Å; F80-A96 HydrophobicContact CG-CB 3.63Å; F80-A96 HydrophobicContact CZ-CB 3.94Å; E92-A96 WeakPolarHBondContact O-CB 3.39Å; E92-A96 PolarHBondContact O-N 2.84Å; L93-A96 PolarHBondContact O-N 3.07Å; A96-M98 PolarHBondContact O-N 2.9Å; A96-R99 WeakPolarHBondContact O-CB 3.43Å; A96-R99 PolarHBondContact O-N 3.44Å; A96-R99 VanDerWaalsContact O-N 3.1Å; A96-F100 HydrophobicContact CB-CE2 4.37Å; A96-F100 WeakPolarHBondContact O-CD2 3.18Å; A96-F100 VanDerWaalsContact O-CG 3.24Å; A96-F100 WeakPolarHBondContact O-CG 3.35Å; A96-F100 PolarHBondContact O-N 2.89Å; A96-F129 HydrophobicContact CB-CE2 4.09Å; A96-F129 HydrophobicContact CB-CZ 4.12Å |
| 97 | L | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.4 | -39.5 | -179.1 | -69.8 | 173.9 | 0 | 0 | 0 | 111.8 | L93 R99 F100 G101 Y102 L104 I109 M112 L136 | L93-L97 HydrophobicContact CD1-CD1 3.79Å; L93-L97 HydrophobicContact CD1-CG 3.98Å; L93-L97 HydrophobicContact CD2-CD1 4.37Å; L93-L97 HydrophobicContact CG-CD1 3.74Å; L93-L97 HydrophobicContact CG-CG 4.3Å; L93-L97 WeakPolarHBondContact O-CB 3.25Å; L93-L97 WeakPolarHBondContact O-CG 3.38Å; L93-L97 PolarHBondContact O-N 2.99Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 2.85Å; L97-F100 HydrophobicContact CD2-CD2 4.27Å; L97-F100 CarbonylContact O-C 3.55Å; L97-F100 PolarHBondContact O-N 3.29Å; L97-F100 VanDerWaalsContact O-N 3.17Å; L97-G101 PolarHBondContact O-N 3.48Å; L97-Y102 CarbonylContact C-O 3.48Å; L97-Y102 HydrophobicContact CD2-CD2 4.04Å; L97-Y102 WeakPolarHBondContact O-CA 3.48Å; L97-Y102 WeakPolarHBondContact O-CB 3.36Å; L97-Y102 PolarHBondContact O-N 2.88Å; L97-L104 HydrophobicContact CD1-CD1 4Å; L97-I109 HydrophobicContact CD1-CD1 3.46Å; L97-I109 VanDerWaalsContact CD1-CD1 3.46Å; L97-M112 HydrophobicContact CD1-CE 4.23Å; L97-M112 HydrophobicContact CD1-SD 3.89Å; L97-L136 HydrophobicContact CD2-CD2 3.57Å |
| 98 | M | 96.6 | Very high | 96.1 | Very high | 126 Ų | 126 | 68.6 Ų | 68.6 | 62% | 0.621 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.8 | -42.4 | 171.8 | -173.2 | -176.3 | -63.9 | 0 | 0 | 111.5 | S94 A96 F100 G101 Y102 | S94-M98 VanDerWaalsContact O-CB 3.31Å; S94-M98 WeakPolarHBondContact O-CB 3.41Å; S94-M98 PolarHBondContact O-N 3.04Å; S94-M98 VanDerWaalsContact O-N 3.08Å; A96-M98 PolarHBondContact O-N 2.9Å; M98-F100 VanDerWaalsContact C-N 3.29Å; M98-F100 PolarHBondContact O-N 3.33Å; M98-G101 PolarHBondContact O-N 2.88Å; M98-Y102 WeakPolarHBondContact CA-O 3.28Å; M98-Y102 PolarHBondContact N-O 3.37Å |
| 99 | R | 95.6 | Very high | 96.1 | Very high | 202 Ų | 202 | 68.8 Ų | 68.8 | 76% | 0.762 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.6 | -32 | 176.9 | -175.7 | 57.2 | 173.2 | -175.8 | 1 | 112.7 | F80 T95 A96 L97 G101 | F80-R99 HydrophobicContact CE1-CB 4.11Å; F80-R99 HydrophobicContact CE1-CG 4.39Å; F80-R99 HydrophobicContact CZ-CB 3.85Å; F80-R99 HydrophobicContact CZ-CG 3.93Å; T95-R99 WeakPolarHBondContact O-CB 3.17Å; T95-R99 PolarHBondContact O-N 2.96Å; A96-R99 WeakPolarHBondContact O-CB 3.43Å; A96-R99 PolarHBondContact O-N 3.44Å; A96-R99 VanDerWaalsContact O-N 3.1Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 2.85Å; R99-G101 PolarHBondContact O-N 3.42Å |
| 100 | F | 96 | Very high | 96.2 | Very high | 70 Ų | 70 | 70 Ų | 70 | 31% | 0.307 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -1.7 | 172.9 | -58.9 | -23.3 | 0 | 0 | 0 | 113.5 | W73 C76 F80 A96 L97 M98 Y102 F129 | W73-F100 HydrophobicContact CZ3-CE2 4.34Å; W73-F100 HydrophobicContact CZ3-CZ 4.16Å; C76-F100 WeakPolarHBondContact SG-CZ 3.42Å; F80-F100 AromaticContact CE2-CE1 3.88Å; F80-F100 HydrophobicContact CE2-CE1 3.88Å; F80-F100 AromaticContact CE2-CZ 3.79Å; F80-F100 HydrophobicContact CE2-CZ 3.79Å; F80-F100 HydrophobicContact CZ-CE1 4.27Å; A96-F100 HydrophobicContact CB-CE2 4.37Å; A96-F100 WeakPolarHBondContact O-CD2 3.18Å; A96-F100 VanDerWaalsContact O-CG 3.24Å; A96-F100 WeakPolarHBondContact O-CG 3.35Å; A96-F100 PolarHBondContact O-N 2.89Å; L97-F100 HydrophobicContact CD2-CD2 4.27Å; L97-F100 CarbonylContact O-C 3.55Å; L97-F100 PolarHBondContact O-N 3.29Å; L97-F100 VanDerWaalsContact O-N 3.17Å; M98-F100 VanDerWaalsContact C-N 3.29Å; M98-F100 PolarHBondContact O-N 3.33Å; F100-Y102 HydrophobicContact CB-CD2 3.74Å; F100-Y102 HydrophobicContact CB-CE2 3.87Å; F100-F129 AromaticContact CE2-CZ 3.81Å; F100-F129 HydrophobicContact CE2-CZ 3.81Å; F100-F129 HydrophobicContact CZ-CZ 4Å |
| 101 | G | 95.3 | Very high | 96.1 | Very high | 66 Ų | 66 | 72 Ų | 72 | 68% | 0.68 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | 14.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | L97 M98 R99 | L97-G101 PolarHBondContact O-N 3.48Å; M98-G101 PolarHBondContact O-N 2.88Å; R99-G101 PolarHBondContact O-N 3.42Å |
| 102 | Y | 95.9 | Very high | 96.1 | Very high | 47 Ų | 47 | 66 Ų | 66 | 18% | 0.184 | 35% | 0.345 | C | S | . | . | trans | -96.2 | 120.8 | 174.7 | -60.8 | -75 | 0 | 0 | 0 | 110.9 | L97 M98 F100 L136 T140 | L97-Y102 CarbonylContact C-O 3.48Å; L97-Y102 HydrophobicContact CD2-CD2 4.04Å; L97-Y102 WeakPolarHBondContact O-CA 3.48Å; L97-Y102 WeakPolarHBondContact O-CB 3.36Å; L97-Y102 PolarHBondContact O-N 2.88Å; M98-Y102 WeakPolarHBondContact CA-O 3.28Å; M98-Y102 PolarHBondContact N-O 3.37Å; F100-Y102 HydrophobicContact CB-CD2 3.74Å; F100-Y102 HydrophobicContact CB-CE2 3.87Å; Y102-L136 HydrophobicContact CD1-CD1 4.48Å; Y102-L136 HydrophobicContact CD1-CD2 3.84Å; Y102-L136 HydrophobicContact CD1-CG 4.14Å; Y102-L136 HydrophobicContact CD2-CD2 3.62Å; Y102-L136 HydrophobicContact CD2-CG 4.5Å; Y102-L136 HydrophobicContact CE1-CD1 4.3Å; Y102-L136 HydrophobicContact CE1-CD2 3.85Å; Y102-L136 HydrophobicContact CE1-CG 3.74Å; Y102-L136 HydrophobicContact CE2-CD2 3.63Å; Y102-L136 HydrophobicContact CE2-CG 4.12Å; Y102-L136 HydrophobicContact CG-CD2 3.73Å; Y102-T140 HydrophobicContact CE1-CG2 4.11Å; Y102-T140 VanDerWaalsContact CE1-OG1 3.31Å; Y102-T140 WeakPolarHBondContact CE1-OG1 3.3Å | ||
| 103 | N | 92.9 | Very high | 96.1 | Very high | 157 Ų | 157 | 65.4 Ų | 65.4 | 84% | 0.84 | 34% | 0.341 | S | S | * | . | trans | -98.8 | 84.4 | 171.5 | -172.7 | 28.1 | 0 | 0 | 0 | 109.6 | ||||
| 104 | L | 96 | Very high | 95.9 | Very high | 48 Ų | 48 | 69.8 Ų | 69.8 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | trans | -105.2 | 145.1 | -177.5 | -65 | 169.6 | 0 | 0 | 0 | 110.7 | L97 F108 I109 M112 L136 | L97-L104 HydrophobicContact CD1-CD1 4Å; L104-F108 HydrophobicContact CB-CD1 4.22Å; L104-F108 HydrophobicContact CD1-CD1 3.93Å; L104-F108 HydrophobicContact CD1-CE1 4.1Å; L104-F108 HydrophobicContact CD2-CD1 3.84Å; L104-F108 HydrophobicContact CD2-CE1 4.1Å; L104-F108 HydrophobicContact CG-CD1 4.2Å; L104-I109 HydrophobicContact CB-CD1 3.99Å; L104-M112 HydrophobicContact CD1-SD 4.09Å; L104-L136 HydrophobicContact CD1-CD2 4.2Å | ||
| 105 | S | 97 | Very high | 95.7 | Very high | 56 Ų | 56 | 74.8 Ų | 74.8 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | trans | -71.4 | 152.5 | -179.2 | 72.1 | 0 | 0 | 0 | 0 | 111.7 | Q107 F108 I109 | S105-Q107 PolarHBondContact O-N 3.26Å; S105-Q107 VanDerWaalsContact O-N 3.14Å; S105-Q107 PolarHBondContact OG-OE1 3.33Å; S105-F108 PolarHBondContact O-N 3.44Å; S105-F108 PolarHBondContact OG-N 2.92Å; S105-I109 WeakPolarHBondContact O-CG1 3.43Å; S105-I109 PolarHBondContact O-N 2.75Å | ||
| 106 | P | 97.1 | Very high | 95.6 | Very high | 88 Ų | 88 | 73.9 Ų | 73.9 | 57% | 0.571 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -54.9 | -33.7 | 175.6 | -27.2 | 35.4 | 0 | 0 | 0 | 113.6 | I109 N110 | P106-I109 PolarHBondContact O-N 2.91Å; P106-N110 WeakPolarHBondContact O-CB 3.41Å; P106-N110 VanDerWaalsContact O-CG 3.28Å; P106-N110 PolarHBondContact O-N 3.47Å; P106-N110 PolarHBondContact O-ND2 3.2Å |
| 107 | Q | 97.3 | Very high | 95.3 | Very high | 138 Ų | 138 | 74.4 Ų | 74.4 | 65% | 0.645 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.1 | -40.1 | 175.8 | -60 | 82 | 6.8 | 0 | 0 | 111.6 | S105 N110 F111 | S105-Q107 PolarHBondContact O-N 3.26Å; S105-Q107 VanDerWaalsContact O-N 3.14Å; S105-Q107 PolarHBondContact OG-OE1 3.33Å; Q107-N110 WeakPolarHBondContact O-CB 3.44Å; Q107-N110 PolarHBondContact O-N 3.33Å; Q107-F111 PolarHBondContact O-N 3.09Å |
| 108 | F | 96.7 | Very high | 94.8 | Very high | 84 Ų | 84 | 80 Ų | 80 | 37% | 0.368 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -72.4 | -37.2 | 177.4 | -165.7 | -97.8 | 0 | 0 | 0 | 112.1 | L104 S105 N110 F111 M112 | L104-F108 HydrophobicContact CB-CD1 4.22Å; L104-F108 HydrophobicContact CD1-CD1 3.93Å; L104-F108 HydrophobicContact CD1-CE1 4.1Å; L104-F108 HydrophobicContact CD2-CD1 3.84Å; L104-F108 HydrophobicContact CD2-CE1 4.1Å; L104-F108 HydrophobicContact CG-CD1 4.2Å; S105-F108 PolarHBondContact O-N 3.44Å; S105-F108 PolarHBondContact OG-N 2.92Å; F108-N110 VanDerWaalsContact C-N 3.31Å; F108-N110 PolarHBondContact O-N 3.46Å; F108-F111 HydrophobicContact CD2-CD1 4.24Å; F108-F111 HydrophobicContact CE2-CD1 4Å; F108-F111 HydrophobicContact CE2-CE1 4.37Å; F108-F111 HydrophobicContact CZ-CD1 4.46Å; F108-F111 WeakPolarHBondContact O-CB 3.43Å; F108-F111 PolarHBondContact O-N 3.46Å; F108-M112 HydrophobicContact CD1-CG 4.01Å; F108-M112 HydrophobicContact CD1-SD 3.91Å; F108-M112 HydrophobicContact CE1-CG 3.8Å; F108-M112 HydrophobicContact CE1-SD 3.64Å; F108-M112 HydrophobicContact CZ-CG 4.49Å; F108-M112 WeakPolarHBondContact O-CG 3.44Å; F108-M112 PolarHBondContact O-N 3.15Å |
| 109 | I | 97.1 | Very high | 94 | Very high | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56.5 | -47.5 | 170.1 | -62.3 | -57.5 | 0 | 0 | 0 | 110.5 | R90 L93 L97 L104 S105 P106 F111 M112 V113 | R90-I109 HydrophobicContact CB-CG2 4.43Å; R90-I109 WeakPolarHBondContact O-CG2 3.44Å; L93-I109 HydrophobicContact CB-CG2 4.35Å; L93-I109 HydrophobicContact CD2-CG2 4.11Å; L93-I109 HydrophobicContact CG-CG2 4.37Å; L97-I109 HydrophobicContact CD1-CD1 3.46Å; L97-I109 VanDerWaalsContact CD1-CD1 3.46Å; L104-I109 HydrophobicContact CB-CD1 3.99Å; S105-I109 WeakPolarHBondContact O-CG1 3.43Å; S105-I109 PolarHBondContact O-N 2.75Å; P106-I109 PolarHBondContact O-N 2.91Å; I109-F111 VanDerWaalsContact C-N 3.31Å; I109-F111 PolarHBondContact O-N 3.35Å; I109-M112 PolarHBondContact O-N 3.11Å; I109-M112 VanDerWaalsContact O-N 3.14Å; I109-V113 WeakPolarHBondContact O-CG2 3.49Å; I109-V113 PolarHBondContact O-N 2.79Å |
| 110 | N | 95.3 | Very high | 93.2 | Very high | 68 Ų | 68 | 74.3 Ų | 74.3 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 176.3 | -75.6 | -26.4 | 0 | 0 | 0 | 112.7 | R90 P106 Q107 F108 S114 | R90-N110 WeakPolarHBondContact CD-OD1 3.26Å; R90-N110 PolarHBondContact NH1-OD1 2.9Å; P106-N110 WeakPolarHBondContact O-CB 3.41Å; P106-N110 VanDerWaalsContact O-CG 3.28Å; P106-N110 PolarHBondContact O-N 3.47Å; P106-N110 PolarHBondContact O-ND2 3.2Å; Q107-N110 WeakPolarHBondContact O-CB 3.44Å; Q107-N110 PolarHBondContact O-N 3.33Å; F108-N110 VanDerWaalsContact C-N 3.31Å; F108-N110 PolarHBondContact O-N 3.46Å; N110-S114 WeakPolarHBondContact O-CB 3.49Å; N110-S114 PolarHBondContact O-N 3.35Å |
| 111 | F | 95 | Very high | 92.4 | Very high | 118 Ų | 118 | 81.7 Ų | 81.7 | 52% | 0.518 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 173.7 | 171.2 | -101 | 0 | 0 | 0 | 111.5 | Q107 F108 I109 S114 R115 | Q107-F111 PolarHBondContact O-N 3.09Å; F108-F111 HydrophobicContact CD2-CD1 4.24Å; F108-F111 HydrophobicContact CE2-CD1 4Å; F108-F111 HydrophobicContact CE2-CE1 4.37Å; F108-F111 HydrophobicContact CZ-CD1 4.46Å; F108-F111 WeakPolarHBondContact O-CB 3.43Å; F108-F111 PolarHBondContact O-N 3.46Å; I109-F111 VanDerWaalsContact C-N 3.31Å; I109-F111 PolarHBondContact O-N 3.35Å; F111-S114 PolarHBondContact O-N 3.49Å; F111-R115 WeakPolarHBondContact O-CB 3.08Å; F111-R115 PolarHBondContact O-N 3.02Å |
| 112 | M | 95.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 85.1 Ų | 85.1 | 3% | 0.03 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 177 | -71.1 | -174.9 | 73.2 | 0 | 0 | 111.9 | L93 L97 L104 F108 I109 S114 R115 F116 A132 L136 | L93-M112 HydrophobicContact CD2-CB 4.19Å; L97-M112 HydrophobicContact CD1-CE 4.23Å; L97-M112 HydrophobicContact CD1-SD 3.89Å; L104-M112 HydrophobicContact CD1-SD 4.09Å; F108-M112 HydrophobicContact CD1-CG 4.01Å; F108-M112 HydrophobicContact CD1-SD 3.91Å; F108-M112 HydrophobicContact CE1-CG 3.8Å; F108-M112 HydrophobicContact CE1-SD 3.64Å; F108-M112 HydrophobicContact CZ-CG 4.49Å; F108-M112 WeakPolarHBondContact O-CG 3.44Å; F108-M112 PolarHBondContact O-N 3.15Å; I109-M112 PolarHBondContact O-N 3.11Å; I109-M112 VanDerWaalsContact O-N 3.14Å; M112-S114 VanDerWaalsContact C-N 3.33Å; M112-S114 PolarHBondContact O-N 3.3Å; M112-R115 PolarHBondContact O-N 3.2Å; M112-R115 VanDerWaalsContact O-N 3.08Å; M112-F116 HydrophobicContact CB-CD2 4.17Å; M112-F116 HydrophobicContact CB-CE2 4.4Å; M112-F116 HydrophobicContact CE-CD2 4.46Å; M112-F116 HydrophobicContact CE-CE2 4.07Å; M112-F116 HydrophobicContact CG-CE2 4.36Å; M112-F116 VanDerWaalsContact O-CD2 3.23Å; M112-F116 WeakPolarHBondContact O-CD2 3.35Å; M112-F116 PolarHBondContact O-N 3.44Å; M112-A132 HydrophobicContact CE-CB 4.2Å; M112-L136 HydrophobicContact CE-CD2 4.46Å |
| 113 | V | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.5 | -47.7 | 176.1 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | R90 L93 I109 R115 G117 E122 I124 | R90-V113 HydrophobicContact CG-CG2 4Å; L93-V113 HydrophobicContact CD2-CG2 3.59Å; I109-V113 WeakPolarHBondContact O-CG2 3.49Å; I109-V113 PolarHBondContact O-N 2.79Å; V113-R115 PolarHBondContact O-N 3.14Å; V113-G117 WeakPolarHBondContact O-CA 3.46Å; V113-G117 PolarHBondContact O-N 3.41Å; V113-E122 VanDerWaalsContact CG1-C 3.49Å; V113-I124 HydrophobicContact CB-CG1 4.45Å; V113-I124 HydrophobicContact CG1-CG1 4.43Å; V113-I124 HydrophobicContact CG2-CD1 4.17Å; V113-I124 HydrophobicContact CG2-CG1 4.23Å |
| 114 | S | 93.2 | Very high | 92.1 | Very high | 93 Ų | 93 | 75.9 Ų | 75.9 | 65% | 0.65 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.8 | -30.1 | 177.6 | -177.4 | 0 | 0 | 0 | 0 | 113.2 | N110 F111 M112 | N110-S114 WeakPolarHBondContact O-CB 3.49Å; N110-S114 PolarHBondContact O-N 3.35Å; F111-S114 PolarHBondContact O-N 3.49Å; M112-S114 VanDerWaalsContact C-N 3.33Å; M112-S114 PolarHBondContact O-N 3.3Å |
| 115 | R | 92.7 | Very high | 92 | Very high | 146 Ų | 146 | 73.7 Ų | 73.7 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -84.3 | -35.5 | -175 | -179.6 | 60.5 | -173.9 | 87.1 | -1.1 | 112.9 | F111 M112 V113 | F111-R115 WeakPolarHBondContact O-CB 3.08Å; F111-R115 PolarHBondContact O-N 3.02Å; M112-R115 PolarHBondContact O-N 3.2Å; M112-R115 VanDerWaalsContact O-N 3.08Å; V113-R115 PolarHBondContact O-N 3.14Å |
| 116 | F | 93.2 | Very high | 91.9 | Very high | 32 Ų | 32 | 71.5 Ų | 71.5 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -106.4 | -23.4 | -173.9 | -63.4 | -68.7 | 0 | 0 | 0 | 113.5 | M112 R118 I124 D128 Y131 A132 | M112-F116 HydrophobicContact CB-CD2 4.17Å; M112-F116 HydrophobicContact CB-CE2 4.4Å; M112-F116 HydrophobicContact CE-CD2 4.46Å; M112-F116 HydrophobicContact CE-CE2 4.07Å; M112-F116 HydrophobicContact CG-CE2 4.36Å; M112-F116 VanDerWaalsContact O-CD2 3.23Å; M112-F116 WeakPolarHBondContact O-CD2 3.35Å; M112-F116 PolarHBondContact O-N 3.44Å; F116-R118 PolarHBondContact O-N 2.83Å; F116-I124 HydrophobicContact CB-CD1 4.25Å; F116-I124 HydrophobicContact CB-CG2 4.47Å; F116-D128 VanDerWaalsContact O-CB 3.31Å; F116-D128 WeakPolarHBondContact O-CB 3.48Å; F116-Y131 AromaticContact CD1-CD1 3.8Å; F116-Y131 HydrophobicContact CD1-CD1 3.8Å; F116-Y131 HydrophobicContact CD1-CE1 4.32Å; F116-Y131 AromaticContact CE1-CD1 3.65Å; F116-Y131 HydrophobicContact CE1-CD1 3.65Å; F116-Y131 AromaticContact CE1-CE1 3.88Å; F116-Y131 HydrophobicContact CE1-CE1 3.88Å; F116-A132 HydrophobicContact CB-CB 4.26Å; F116-A132 HydrophobicContact CD1-CB 4.11Å; F116-A132 HydrophobicContact CD2-CB 3.54Å; F116-A132 HydrophobicContact CE1-CB 4.33Å; F116-A132 HydrophobicContact CE2-CB 3.81Å; F116-A132 HydrophobicContact CG-CB 3.71Å; F116-A132 HydrophobicContact CZ-CB 4.2Å |
| 117 | G | 89.6 | Confident | 91.9 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | trans | -70.6 | 81.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V113 S123 | V113-G117 WeakPolarHBondContact O-CA 3.46Å; V113-G117 PolarHBondContact O-N 3.41Å; G117-S123 WeakPolarHBondContact CA-O 3.37Å | ||
| 118 | R | 86.5 | Confident | 91.8 | Very high | 118 Ų | 118 | 60.9 Ų | 60.9 | 45% | 0.445 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -66.8 | -39.1 | -178.9 | -67.6 | -177.3 | -63 | 127.3 | 16.5 | 112.8 | N39 F116 D127 D128 | N39-R118 VanDerWaalsContact CB-CZ 3.48Å; N39-R118 PolarHBondContact ND2-NE 2.94Å; F116-R118 PolarHBondContact O-N 2.83Å; R118-D127 IonicContact NH2-OD1 3.72Å; R118-D127 IonicContact NH2-OD2 2.81Å; R118-D127 PolarHBondContact NH2-OD2 3.29Å; R118-D128 IonicContact CZ-OD1 3.4Å; R118-D128 IonicContact CZ-OD2 3.5Å; R118-D128 VanDerWaalsContact NE-CG 3.28Å; R118-D128 IonicContact NE-OD1 2.78Å; R118-D128 PolarHBondContact NE-OD1 3.07Å; R118-D128 IonicContact NE-OD2 2.95Å; R118-D128 PolarHBondContact NE-OD2 2.8Å; R118-D128 IonicContact NH2-OD1 3.23Å; R118-D128 PolarHBondContact NH2-OD1 3.45Å; R118-D128 IonicContact NH2-OD2 3.16Å; R118-D128 PolarHBondContact NH2-OD2 3.42Å; R118-D128 VanDerWaalsContact NH2-OD2 3.16Å |
| 119 | N | 80.4 | Confident | 91.8 | Very high | 64 Ų | 64 | 56.9 Ų | 56.9 | 34% | 0.342 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -93 | -29.6 | -169.5 | -64.9 | -41.9 | 0 | 0 | 0 | 113.3 | L34 T36 S125 | L34-N119 HydrophobicContact CD1-CB 3.93Å; T36-N119 PolarHBondContact OG1-ND2 3.32Å; T36-N119 VanDerWaalsContact OG1-ND2 3.14Å; N119-S125 PolarHBondContact ND2-OG 3.33Å |
| 120 | R | 78.6 | Confident | 91.7 | Very high | 144 Ų | 144 | 56.6 Ų | 56.6 | 54% | 0.543 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -142.6 | 129.1 | -179.4 | -65.4 | -172.3 | 177.5 | -161.5 | 1.3 | 109.3 | E122 S123 | R120-E122 PolarHBondContact O-N 2.55Å; R120-E122 VanDerWaalsContact O-N 3.1Å; R120-S123 PolarHBondContact O-N 3.02Å |
| 121 | R | 78.9 | Confident | 91.7 | Very high | 226 Ų | 226 | 55.3 Ų | 55.3 | 85% | 0.853 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -11.3 | -175.7 | -72 | -175.6 | 177.2 | 168.2 | -0.3 | 114.6 | ||
| 122 | E | 89.7 | Confident | 91.7 | Very high | 137 Ų | 137 | 49.7 Ų | 49.7 | 64% | 0.64 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | -5.3 | -174 | -56.6 | -167.8 | 151.6 | 0 | 0 | 113.5 | V113 R120 | V113-E122 VanDerWaalsContact CG1-C 3.49Å; R120-E122 PolarHBondContact O-N 2.55Å; R120-E122 VanDerWaalsContact O-N 3.1Å |
| 123 | S | 93.8 | Very high | 91.7 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 8% | 0.077 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -147.4 | 162 | 179.5 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | S87 I88 G117 R120 | S87-S123 VanDerWaalsContact CB-OG 3.27Å; S87-S123 WeakPolarHBondContact CB-OG 3.16Å; S87-S123 WeakPolarHBondContact OG-CB 3.28Å; S87-S123 PolarHBondContact OG-OG 3.23Å; I88-S123 CarbonylContact O-C 3.56Å; I88-S123 VanDerWaalsContact O-CA 3.24Å; I88-S123 WeakPolarHBondContact O-CA 3.49Å; I88-S123 WeakPolarHBondContact O-CB 3.37Å; G117-S123 WeakPolarHBondContact CA-O 3.37Å; R120-S123 PolarHBondContact O-N 3.02Å |
| 124 | I | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.7 | -179.5 | -52.2 | -175.9 | 0 | 0 | 0 | 108.4 | S87 I88 L93 V113 F116 D128 F129 | S87-I124 CarbonylContact C-O 3.57Å; S87-I124 WeakPolarHBondContact CA-O 3.37Å; I88-I124 PolarHBondContact N-O 3.07Å; I88-I124 PolarHBondContact O-N 2.82Å; L93-I124 HydrophobicContact CD1-CD1 4.39Å; L93-I124 HydrophobicContact CD2-CD1 3.65Å; V113-I124 HydrophobicContact CB-CG1 4.45Å; V113-I124 HydrophobicContact CG1-CG1 4.43Å; V113-I124 HydrophobicContact CG2-CD1 4.17Å; V113-I124 HydrophobicContact CG2-CG1 4.23Å; F116-I124 HydrophobicContact CB-CD1 4.25Å; F116-I124 HydrophobicContact CB-CG2 4.47Å; I124-D128 HydrophobicContact CG2-CB 3.41Å; I124-D128 VanDerWaalsContact CG2-CB 3.41Å; I124-F129 HydrophobicContact CG2-CB 4.07Å |
| 125 | S | 95.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 164.8 | 173.4 | 48.3 | 0 | 0 | 0 | 0 | 111.7 | N119 D127 D128 F129 | N119-S125 PolarHBondContact ND2-OG 3.33Å; S125-D127 VanDerWaalsContact C-N 3.32Å; S125-D127 WeakPolarHBondContact CB-OD1 3.27Å; S125-D127 PolarHBondContact O-N 2.92Å; S125-D127 PolarHBondContact OG-OD1 3.33Å; S125-D128 PolarHBondContact O-N 2.75Å; S125-D128 VanDerWaalsContact O-N 3.11Å; S125-D128 PolarHBondContact OG-OD2 2.83Å; S125-F129 WeakPolarHBondContact O-CB 3.38Å; S125-F129 PolarHBondContact O-N 3.32Å |
| 126 | F | 95.1 | Very high | 91.9 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 4% | 0.044 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -51.2 | -46.4 | -176.7 | 170.9 | -120.6 | 0 | 0 | 0 | 114.4 | F38 W73 Q74 F77 F129 I130 | F38-F126 AromaticContact CE2-CD1 3.83Å; F38-F126 HydrophobicContact CE2-CD1 3.83Å; F38-F126 AromaticContact CE2-CE1 3.95Å; F38-F126 HydrophobicContact CE2-CE1 3.95Å; F38-F126 HydrophobicContact CZ-CD1 4.46Å; F38-F126 HydrophobicContact CZ-CE1 4.36Å; W73-F126 HydrophobicContact CB-CE2 3.9Å; W73-F126 HydrophobicContact CB-CZ 4.01Å; Q74-F126 HydrophobicContact CB-CE2 4.41Å; Q74-F126 HydrophobicContact CB-CZ 4.18Å; Q74-F126 HydrophobicContact CG-CE1 3.65Å; Q74-F126 HydrophobicContact CG-CE2 3.91Å; Q74-F126 HydrophobicContact CG-CZ 3.27Å; F77-F126 HydrophobicContact CB-CD2 3.72Å; F77-F126 HydrophobicContact CB-CE2 4.04Å; F77-F126 HydrophobicContact CD1-CD2 4.35Å; F77-F126 HydrophobicContact CD2-CB 4.14Å; F77-F126 AromaticContact CD2-CD2 3.73Å; F77-F126 HydrophobicContact CD2-CD2 3.73Å; F77-F126 HydrophobicContact CD2-CG 4.44Å; F77-F126 HydrophobicContact CE1-CB 4.44Å; F77-F126 VanDerWaalsContact CE2-CA 3.42Å; F77-F126 HydrophobicContact CE2-CB 3.94Å; F77-F126 HydrophobicContact CE2-CD2 4.39Å; F77-F126 HydrophobicContact CG-CB 4.42Å; F77-F126 AromaticContact CG-CD2 3.68Å; F77-F126 HydrophobicContact CG-CD2 3.68Å; F77-F126 HydrophobicContact CG-CE2 4.48Å; F77-F126 HydrophobicContact CG-CG 4.48Å; F77-F126 HydrophobicContact CZ-CB 4.1Å; F126-F129 PolarHBondContact O-N 3.28Å; F126-I130 HydrophobicContact CD1-CD1 4.3Å; F126-I130 HydrophobicContact CD2-CD1 4.15Å; F126-I130 HydrophobicContact CD2-CG1 4.43Å; F126-I130 HydrophobicContact CE1-CD1 3.7Å; F126-I130 HydrophobicContact CE2-CD1 3.54Å; F126-I130 HydrophobicContact CE2-CG1 3.97Å; F126-I130 HydrophobicContact CG-CD1 4.5Å; F126-I130 HydrophobicContact CZ-CD1 3.28Å; F126-I130 HydrophobicContact CZ-CG1 4.21Å; F126-I130 WeakPolarHBondContact O-CG1 3.38Å; F126-I130 PolarHBondContact O-N 3.37Å |
| 127 | D | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 177.8 | 53.3 | -13 | 0 | 0 | 0 | 113.4 | N32 F38 N39 T42 R118 S125 F129 Y131 | N32-D127 HydrophobicContact CB-CB 4.15Å; N32-D127 VanDerWaalsContact CB-CG 3.48Å; N32-D127 WeakPolarHBondContact CB-OD1 3.45Å; N32-D127 PolarHBondContact ND2-OD2 3.24Å; N32-D127 VanDerWaalsContact ND2-OD2 3.13Å; F38-D127 WeakPolarHBondContact CA-OD2 3.39Å; F38-D127 HydrophobicContact CD1-CB 3.59Å; F38-D127 HydrophobicContact CD2-CB 3.7Å; F38-D127 HydrophobicContact CE1-CB 3.44Å; F38-D127 VanDerWaalsContact CE1-CB 3.44Å; F38-D127 HydrophobicContact CE2-CB 3.55Å; F38-D127 HydrophobicContact CG-CB 3.74Å; F38-D127 HydrophobicContact CZ-CB 3.42Å; F38-D127 VanDerWaalsContact CZ-CB 3.42Å; N39-D127 HydrophobicContact CB-CB 4.11Å; N39-D127 PolarHBondContact N-OD2 2.77Å; T42-D127 WeakPolarHBondContact CG2-O 3.44Å; T42-D127 PolarHBondContact OG1-O 3Å; R118-D127 IonicContact NH2-OD1 3.72Å; R118-D127 IonicContact NH2-OD2 2.81Å; R118-D127 PolarHBondContact NH2-OD2 3.29Å; S125-D127 VanDerWaalsContact C-N 3.32Å; S125-D127 WeakPolarHBondContact CB-OD1 3.27Å; S125-D127 PolarHBondContact O-N 2.92Å; S125-D127 PolarHBondContact OG-OD1 3.33Å; D127-F129 VanDerWaalsContact C-N 3.34Å; D127-Y131 PolarHBondContact O-N 3.08Å; D127-Y131 VanDerWaalsContact O-N 3.1Å |
| 128 | D | 95.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.011 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.8 | -28.8 | 178.3 | -70.5 | -28.6 | 0 | 0 | 0 | 111.8 | N39 F116 R118 I124 S125 Y131 A132 | N39-D128 PolarHBondContact ND2-OD1 3.12Å; F116-D128 VanDerWaalsContact O-CB 3.31Å; F116-D128 WeakPolarHBondContact O-CB 3.48Å; R118-D128 IonicContact CZ-OD1 3.4Å; R118-D128 IonicContact CZ-OD2 3.5Å; R118-D128 VanDerWaalsContact NE-CG 3.28Å; R118-D128 IonicContact NE-OD1 2.78Å; R118-D128 PolarHBondContact NE-OD1 3.07Å; R118-D128 IonicContact NE-OD2 2.95Å; R118-D128 PolarHBondContact NE-OD2 2.8Å; R118-D128 IonicContact NH2-OD1 3.23Å; R118-D128 PolarHBondContact NH2-OD1 3.45Å; R118-D128 IonicContact NH2-OD2 3.16Å; R118-D128 PolarHBondContact NH2-OD2 3.42Å; R118-D128 VanDerWaalsContact NH2-OD2 3.16Å; I124-D128 HydrophobicContact CG2-CB 3.41Å; I124-D128 VanDerWaalsContact CG2-CB 3.41Å; S125-D128 PolarHBondContact O-N 2.75Å; S125-D128 VanDerWaalsContact O-N 3.11Å; S125-D128 PolarHBondContact OG-OD2 2.83Å; D128-Y131 PolarHBondContact O-N 3.5Å; D128-A132 WeakPolarHBondContact O-CB 3.35Å; D128-A132 PolarHBondContact O-N 2.92Å |
| 129 | F | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -46.7 | 173.2 | 175.1 | -103.7 | 0 | 0 | 0 | 110.8 | W73 F77 F80 I88 L93 A96 F100 I124 S125 F126 D127 Y131 A132 C133 | W73-F129 HydrophobicContact CE3-CD1 4.3Å; W73-F129 AromaticContact CE3-CE1 3.92Å; W73-F129 HydrophobicContact CE3-CE1 3.92Å; W73-F129 HydrophobicContact CZ3-CD1 4.27Å; W73-F129 AromaticContact CZ3-CE1 3.66Å; W73-F129 HydrophobicContact CZ3-CE1 3.66Å; W73-F129 HydrophobicContact CZ3-CZ 4.36Å; F77-F129 HydrophobicContact CD2-CB 4.16Å; F77-F129 AromaticContact CD2-CD1 3.8Å; F77-F129 HydrophobicContact CD2-CD1 3.8Å; F77-F129 HydrophobicContact CD2-CE1 4.44Å; F77-F129 HydrophobicContact CD2-CG 4.08Å; F77-F129 HydrophobicContact CE2-CB 4.2Å; F77-F129 HydrophobicContact CE2-CG 4.47Å; F80-F129 HydrophobicContact CD2-CZ 4.49Å; I88-F129 HydrophobicContact CG1-CD2 4.36Å; I88-F129 HydrophobicContact CG2-CD2 4.44Å; L93-F129 HydrophobicContact CD1-CD2 4.09Å; L93-F129 HydrophobicContact CD1-CE2 3.96Å; A96-F129 HydrophobicContact CB-CE2 4.09Å; A96-F129 HydrophobicContact CB-CZ 4.12Å; F100-F129 AromaticContact CE2-CZ 3.81Å; F100-F129 HydrophobicContact CE2-CZ 3.81Å; F100-F129 HydrophobicContact CZ-CZ 4Å; I124-F129 HydrophobicContact CG2-CB 4.07Å; S125-F129 WeakPolarHBondContact O-CB 3.38Å; S125-F129 PolarHBondContact O-N 3.32Å; F126-F129 PolarHBondContact O-N 3.28Å; D127-F129 VanDerWaalsContact C-N 3.34Å; F129-Y131 VanDerWaalsContact C-N 3.32Å; F129-Y131 PolarHBondContact O-N 2.93Å; F129-A132 PolarHBondContact O-N 2.88Å; F129-C133 WeakPolarHBondContact O-CB 3.24Å; F129-C133 PolarHBondContact O-N 2.96Å; F129-C133 PolarHBondContact O-SG 3.1Å; F129-C133 VanDerWaalsContact O-SG 3.4Å |
| 130 | I | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.7 | -50.4 | 172.4 | -66.7 | 164 | 0 | 0 | 0 | 109.8 | F38 T42 M46 W73 F126 A132 C133 V134 | F38-I130 HydrophobicContact CZ-CD1 4.2Å; T42-I130 HydrophobicContact CG2-CB 3.82Å; T42-I130 HydrophobicContact CG2-CG2 3.71Å; M46-I130 HydrophobicContact CG-CG2 4.29Å; M46-I130 HydrophobicContact SD-CD1 4.31Å; M46-I130 HydrophobicContact SD-CG2 4.09Å; W73-I130 HydrophobicContact CB-CD1 4.01Å; W73-I130 HydrophobicContact CB-CG1 3.96Å; W73-I130 HydrophobicContact CD2-CG1 3.94Å; W73-I130 HydrophobicContact CE3-CG1 4.31Å; W73-I130 HydrophobicContact CG-CD1 4.21Å; W73-I130 HydrophobicContact CG-CG1 3.78Å; F126-I130 HydrophobicContact CD1-CD1 4.3Å; F126-I130 HydrophobicContact CD2-CD1 4.15Å; F126-I130 HydrophobicContact CD2-CG1 4.43Å; F126-I130 HydrophobicContact CE1-CD1 3.7Å; F126-I130 HydrophobicContact CE2-CD1 3.54Å; F126-I130 HydrophobicContact CE2-CG1 3.97Å; F126-I130 HydrophobicContact CG-CD1 4.5Å; F126-I130 HydrophobicContact CZ-CD1 3.28Å; F126-I130 HydrophobicContact CZ-CG1 4.21Å; F126-I130 WeakPolarHBondContact O-CG1 3.38Å; F126-I130 PolarHBondContact O-N 3.37Å; I130-A132 PolarHBondContact O-N 3.13Å; I130-C133 PolarHBondContact O-N 3.16Å; I130-V134 HydrophobicContact CG2-CG2 4.05Å; I130-V134 WeakPolarHBondContact O-CB 3.2Å; I130-V134 VanDerWaalsContact O-CG2 3.27Å; I130-V134 WeakPolarHBondContact O-CG2 3.37Å; I130-V134 PolarHBondContact O-N 2.87Å |
| 131 | Y | 95.2 | Very high | 94.1 | Very high | 40 Ų | 40 | 36.3 Ų | 36.3 | 16% | 0.157 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.2 | -50.4 | -179.3 | -167.8 | -101.1 | 0 | 0 | 0 | 111.8 | R41 T42 L45 F116 D127 D128 F129 C133 V134 C135 | R41-Y131 HydrophobicContact CB-CD2 4.31Å; R41-Y131 HydrophobicContact CB-CE2 3.81Å; T42-Y131 WeakPolarHBondContact OG1-CB 3.31Å; L45-Y131 HydrophobicContact CB-CD2 4.48Å; L45-Y131 HydrophobicContact CB-CE2 4.46Å; L45-Y131 HydrophobicContact CD2-CD2 3.59Å; L45-Y131 HydrophobicContact CD2-CE2 3.78Å; L45-Y131 HydrophobicContact CD2-CG 4.45Å; F116-Y131 AromaticContact CD1-CD1 3.8Å; F116-Y131 HydrophobicContact CD1-CD1 3.8Å; F116-Y131 HydrophobicContact CD1-CE1 4.32Å; F116-Y131 AromaticContact CE1-CD1 3.65Å; F116-Y131 HydrophobicContact CE1-CD1 3.65Å; F116-Y131 AromaticContact CE1-CE1 3.88Å; F116-Y131 HydrophobicContact CE1-CE1 3.88Å; D127-Y131 PolarHBondContact O-N 3.08Å; D127-Y131 VanDerWaalsContact O-N 3.1Å; D128-Y131 PolarHBondContact O-N 3.5Å; F129-Y131 VanDerWaalsContact C-N 3.32Å; F129-Y131 PolarHBondContact O-N 2.93Å; Y131-C133 VanDerWaalsContact C-N 3.35Å; Y131-C133 PolarHBondContact O-N 2.96Å; Y131-V134 PolarHBondContact O-N 2.91Å; Y131-C135 WeakPolarHBondContact CE1-SG 3.41Å; Y131-C135 WeakPolarHBondContact O-CB 3.18Å; Y131-C135 PolarHBondContact O-N 2.91Å; Y131-C135 PolarHBondContact O-SG 2.9Å |
| 132 | A | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | M112 F116 D128 F129 I130 L136 | M112-A132 HydrophobicContact CE-CB 4.2Å; F116-A132 HydrophobicContact CB-CB 4.26Å; F116-A132 HydrophobicContact CD1-CB 4.11Å; F116-A132 HydrophobicContact CD2-CB 3.54Å; F116-A132 HydrophobicContact CE1-CB 4.33Å; F116-A132 HydrophobicContact CE2-CB 3.81Å; F116-A132 HydrophobicContact CG-CB 3.71Å; F116-A132 HydrophobicContact CZ-CB 4.2Å; D128-A132 WeakPolarHBondContact O-CB 3.35Å; D128-A132 PolarHBondContact O-N 2.92Å; F129-A132 PolarHBondContact O-N 2.88Å; I130-A132 PolarHBondContact O-N 3.13Å; A132-L136 VanDerWaalsContact O-CB 3.31Å; A132-L136 WeakPolarHBondContact O-CB 3.39Å; A132-L136 PolarHBondContact O-N 3Å |
| 133 | C | 96.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 4% | 0.041 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.3 | -40.6 | -179.4 | -70.5 | 0 | 0 | 0 | 0 | 112.9 | W73 F129 I130 Y131 L136 Q137 | W73-C133 HydrophobicContact CH2-CB 3.48Å; W73-C133 VanDerWaalsContact CH2-CB 3.48Å; W73-C133 HydrophobicContact CZ2-CB 4.23Å; W73-C133 HydrophobicContact CZ3-CB 4.07Å; F129-C133 WeakPolarHBondContact O-CB 3.24Å; F129-C133 PolarHBondContact O-N 2.96Å; F129-C133 PolarHBondContact O-SG 3.1Å; F129-C133 VanDerWaalsContact O-SG 3.4Å; I130-C133 PolarHBondContact O-N 3.16Å; Y131-C133 VanDerWaalsContact C-N 3.35Å; Y131-C133 PolarHBondContact O-N 2.96Å; C133-L136 PolarHBondContact O-N 3.23Å; C133-Q137 WeakPolarHBondContact O-CB 3.45Å; C133-Q137 PolarHBondContact O-N 2.81Å |
| 134 | V | 94.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.3 | -43.7 | 177 | 177 | 0 | 0 | 0 | 0 | 110.5 | L45 M49 Y69 W73 I130 Y131 L136 Q137 I138 | L45-V134 HydrophobicContact CD1-CG1 4.07Å; L45-V134 HydrophobicContact CD2-CB 3.84Å; L45-V134 HydrophobicContact CD2-CG1 3.61Å; L45-V134 HydrophobicContact CG-CG1 3.86Å; M49-V134 HydrophobicContact SD-CG1 4.1Å; Y69-V134 WeakPolarHBondContact OH-CG2 3.39Å; W73-V134 HydrophobicContact CZ2-CG2 4.25Å; I130-V134 HydrophobicContact CG2-CG2 4.05Å; I130-V134 WeakPolarHBondContact O-CB 3.2Å; I130-V134 VanDerWaalsContact O-CG2 3.27Å; I130-V134 WeakPolarHBondContact O-CG2 3.37Å; I130-V134 PolarHBondContact O-N 2.87Å; Y131-V134 PolarHBondContact O-N 2.91Å; V134-L136 VanDerWaalsContact C-N 3.29Å; V134-L136 PolarHBondContact O-N 2.94Å; V134-Q137 PolarHBondContact O-N 3.47Å; V134-I138 HydrophobicContact CG1-CD1 3.81Å; V134-I138 HydrophobicContact CG1-CG1 4.34Å; V134-I138 WeakPolarHBondContact O-CG1 3.48Å; V134-I138 PolarHBondContact O-N 3.21Å |
| 135 | C | 94.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.054 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.7 | -46.6 | 172.8 | -68 | 0 | 0 | 0 | 0 | 111.2 | Y131 Q137 I138 L139 V168 | Y131-C135 WeakPolarHBondContact CE1-SG 3.41Å; Y131-C135 WeakPolarHBondContact O-CB 3.18Å; Y131-C135 PolarHBondContact O-N 2.91Å; Y131-C135 PolarHBondContact O-SG 2.9Å; C135-Q137 PolarHBondContact O-N 3.43Å; C135-I138 PolarHBondContact O-N 3.41Å; C135-L139 WeakPolarHBondContact O-CB 3.42Å; C135-L139 WeakPolarHBondContact O-CG 3.35Å; C135-L139 PolarHBondContact O-N 2.97Å; C135-V168 HydrophobicContact CB-CG1 3.81Å; C135-V168 WeakPolarHBondContact SG-CG1 3.45Å |
| 136 | L | 95.5 | Very high | 95 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 12% | 0.12 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 178.7 | -174.7 | 63.5 | 0 | 0 | 0 | 111.5 | L97 Y102 L104 M112 A132 C133 V134 T140 | L97-L136 HydrophobicContact CD2-CD2 3.57Å; Y102-L136 HydrophobicContact CD1-CD1 4.48Å; Y102-L136 HydrophobicContact CD1-CD2 3.84Å; Y102-L136 HydrophobicContact CD1-CG 4.14Å; Y102-L136 HydrophobicContact CD2-CD2 3.62Å; Y102-L136 HydrophobicContact CD2-CG 4.5Å; Y102-L136 HydrophobicContact CE1-CD1 4.3Å; Y102-L136 HydrophobicContact CE1-CD2 3.85Å; Y102-L136 HydrophobicContact CE1-CG 3.74Å; Y102-L136 HydrophobicContact CE2-CD2 3.63Å; Y102-L136 HydrophobicContact CE2-CG 4.12Å; Y102-L136 HydrophobicContact CG-CD2 3.73Å; L104-L136 HydrophobicContact CD1-CD2 4.2Å; M112-L136 HydrophobicContact CE-CD2 4.46Å; A132-L136 VanDerWaalsContact O-CB 3.31Å; A132-L136 WeakPolarHBondContact O-CB 3.39Å; A132-L136 PolarHBondContact O-N 3Å; C133-L136 PolarHBondContact O-N 3.23Å; V134-L136 VanDerWaalsContact C-N 3.29Å; V134-L136 PolarHBondContact O-N 2.94Å; L136-T140 WeakPolarHBondContact O-CB 3.36Å; L136-T140 PolarHBondContact O-N 3.42Å; L136-T140 PolarHBondContact O-OG1 3.36Å |
| 137 | Q | 94.5 | Very high | 95 | Very high | 112 Ų | 112 | 42.2 Ų | 42.2 | 52% | 0.523 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 177.8 | -177.2 | 179.4 | -4.9 | 0 | 0 | 112.1 | C133 V134 C135 T140 G141 | C133-Q137 WeakPolarHBondContact O-CB 3.45Å; C133-Q137 PolarHBondContact O-N 2.81Å; V134-Q137 PolarHBondContact O-N 3.47Å; C135-Q137 PolarHBondContact O-N 3.43Å; Q137-T140 PolarHBondContact O-N 2.96Å; Q137-G141 PolarHBondContact O-N 3.15Å |
| 138 | I | 94 | Very high | 94.8 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 26% | 0.256 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62 | -50.9 | 178.8 | -69 | 170.6 | 0 | 0 | 0 | 110.2 | L45 V134 C135 T140 G141 A142 S167 V168 | L45-I138 HydrophobicContact CD1-CD1 4.09Å; V134-I138 HydrophobicContact CG1-CD1 3.81Å; V134-I138 HydrophobicContact CG1-CG1 4.34Å; V134-I138 WeakPolarHBondContact O-CG1 3.48Å; V134-I138 PolarHBondContact O-N 3.21Å; C135-I138 PolarHBondContact O-N 3.41Å; I138-T140 VanDerWaalsContact C-N 3.29Å; I138-T140 PolarHBondContact O-N 3.08Å; I138-G141 PolarHBondContact O-N 3.47Å; I138-G141 VanDerWaalsContact O-N 3.12Å; I138-A142 PolarHBondContact O-N 3.09Å; I138-S167 VanDerWaalsContact CG2-OG 3.23Å; I138-S167 WeakPolarHBondContact CG2-OG 3.47Å; I138-V168 HydrophobicContact CB-CG2 4Å; I138-V168 HydrophobicContact CG2-CG2 3.69Å |
| 139 | L | 95.2 | Very high | 94.7 | Very high | 72 Ų | 72 | 60 Ų | 60 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.7 | -35.8 | 178.6 | -70.2 | 170.4 | 0 | 0 | 0 | 112.2 | C135 G141 A142 F143 A164 V168 | C135-L139 WeakPolarHBondContact O-CB 3.42Å; C135-L139 WeakPolarHBondContact O-CG 3.35Å; C135-L139 PolarHBondContact O-N 2.97Å; L139-G141 VanDerWaalsContact C-N 3.34Å; L139-A142 PolarHBondContact O-N 3.49Å; L139-F143 VanDerWaalsContact O-CB 3.23Å; L139-F143 WeakPolarHBondContact O-CB 3.4Å; L139-F143 PolarHBondContact O-N 3.31Å; L139-A164 VanDerWaalsContact CD2-O 3.3Å; L139-A164 WeakPolarHBondContact CD2-O 3.39Å; L139-V168 HydrophobicContact CD1-CG2 4.13Å; L139-V168 HydrophobicContact CD2-CG2 3.81Å; L139-V168 HydrophobicContact CG-CG2 3.57Å |
| 140 | T | 95.3 | Very high | 94.5 | Very high | 25 Ų | 25 | 68.2 Ų | 68.2 | 15% | 0.153 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 174.4 | -63.3 | 0 | 0 | 0 | 0 | 111 | Y102 L136 Q137 I138 F143 R144 | Y102-T140 HydrophobicContact CE1-CG2 4.11Å; Y102-T140 VanDerWaalsContact CE1-OG1 3.31Å; Y102-T140 WeakPolarHBondContact CE1-OG1 3.3Å; L136-T140 WeakPolarHBondContact O-CB 3.36Å; L136-T140 PolarHBondContact O-N 3.42Å; L136-T140 PolarHBondContact O-OG1 3.36Å; Q137-T140 PolarHBondContact O-N 2.96Å; I138-T140 VanDerWaalsContact C-N 3.29Å; I138-T140 PolarHBondContact O-N 3.08Å; T140-F143 PolarHBondContact O-N 2.78Å; T140-R144 HydrophobicContact CG2-CG 4.3Å; T140-R144 WeakPolarHBondContact O-CB 3.41Å; T140-R144 VanDerWaalsContact O-CG 3.24Å; T140-R144 WeakPolarHBondContact O-CG 3.4Å; T140-R144 PolarHBondContact O-N 3.49Å |
| 141 | G | 94.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 72.3 Ų | 72.3 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q137 I138 L139 | Q137-G141 PolarHBondContact O-N 3.15Å; I138-G141 PolarHBondContact O-N 3.47Å; I138-G141 VanDerWaalsContact O-N 3.12Å; L139-G141 VanDerWaalsContact C-N 3.34Å |
| 142 | A | 94.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 73 Ų | 73 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I138 L139 R145 Y146 A164 | I138-A142 PolarHBondContact O-N 3.09Å; L139-A142 PolarHBondContact O-N 3.49Å; A142-R145 WeakPolarHBondContact O-CB 3.42Å; A142-R145 PolarHBondContact O-N 2.89Å; A142-Y146 WeakPolarHBondContact O-CD2 3.46Å; A142-A164 HydrophobicContact CB-CB 3.75Å |
| 143 | F | 95.4 | Very high | 94.3 | Very high | 64 Ų | 64 | 79.7 Ų | 79.7 | 28% | 0.281 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 179.3 | 179.7 | -90 | 0 | 0 | 0 | 112.3 | L139 T140 R145 Y146 D147 A154 F156 | L139-F143 VanDerWaalsContact O-CB 3.23Å; L139-F143 WeakPolarHBondContact O-CB 3.4Å; L139-F143 PolarHBondContact O-N 3.31Å; T140-F143 PolarHBondContact O-N 2.78Å; F143-R145 PolarHBondContact O-N 3.09Å; F143-R145 VanDerWaalsContact O-N 3.12Å; F143-Y146 PolarHBondContact O-N 3.15Å; F143-D147 HydrophobicContact CD1-CB 4.04Å; F143-D147 HydrophobicContact CE1-CB 3.59Å; F143-D147 HydrophobicContact CZ-CB 4.32Å; F143-D147 PolarHBondContact O-N 3.34Å; F143-A154 HydrophobicContact CD2-CB 4.39Å; F143-A154 HydrophobicContact CE1-CB 4.43Å; F143-A154 HydrophobicContact CE2-CB 3.84Å; F143-A154 HydrophobicContact CZ-CB 3.86Å; F143-F156 AromaticContact CD2-CE2 3.84Å; F143-F156 HydrophobicContact CD2-CE2 3.84Å; F143-F156 AromaticContact CD2-CZ 3.57Å; F143-F156 HydrophobicContact CD2-CZ 3.57Å; F143-F156 AromaticContact CE2-CE2 3.93Å; F143-F156 HydrophobicContact CE2-CE2 3.93Å; F143-F156 HydrophobicContact CE2-CZ 4.11Å; F143-F156 HydrophobicContact CG-CZ 4.29Å |
| 144 | R | 94.6 | Very high | 94.2 | Very high | 175 Ų | 175 | 80.9 Ų | 80.9 | 66% | 0.66 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.5 | -22 | -178.3 | -79.4 | 179.7 | 177 | -174.1 | 1.5 | 114 | T140 Y146 | T140-R144 HydrophobicContact CG2-CG 4.3Å; T140-R144 WeakPolarHBondContact O-CB 3.41Å; T140-R144 VanDerWaalsContact O-CG 3.24Å; T140-R144 WeakPolarHBondContact O-CG 3.4Å; T140-R144 PolarHBondContact O-N 3.49Å; R144-Y146 PolarHBondContact O-N 3.49Å |
| 145 | R | 93.7 | Very high | 94.2 | Very high | 185 Ų | 185 | 89.2 Ų | 89.2 | 70% | 0.698 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.8 | 173.4 | -65.9 | 174.8 | -178.7 | -173.2 | -0.2 | 112.7 | A142 F143 | A142-R145 WeakPolarHBondContact O-CB 3.42Å; A142-R145 PolarHBondContact O-N 2.89Å; F143-R145 PolarHBondContact O-N 3.09Å; F143-R145 VanDerWaalsContact O-N 3.12Å |
| 146 | Y | 94.1 | Very high | 94.2 | Very high | 58 Ų | 58 | 91.6 Ų | 91.6 | 23% | 0.227 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -13.8 | -175.9 | -56.7 | -80.6 | 0 | 0 | 0 | 113.5 | A142 F143 R144 Y148 F156 Q160 | A142-Y146 WeakPolarHBondContact O-CD2 3.46Å; F143-Y146 PolarHBondContact O-N 3.15Å; R144-Y146 PolarHBondContact O-N 3.49Å; Y146-Y148 VanDerWaalsContact C-N 3.28Å; Y146-Y148 VanDerWaalsContact O-CD2 3.28Å; Y146-Y148 WeakPolarHBondContact O-CD2 3.44Å; Y146-Y148 PolarHBondContact O-N 2.88Å; Y146-Y148 VanDerWaalsContact O-N 3.11Å; Y146-F156 AromaticContact CD2-CD1 3.91Å; Y146-F156 HydrophobicContact CD2-CD1 3.91Å; Y146-F156 AromaticContact CD2-CE1 3.36Å; Y146-F156 HydrophobicContact CD2-CE1 3.36Å; Y146-F156 HydrophobicContact CD2-CZ 4.14Å; Y146-F156 HydrophobicContact CE2-CD1 4.26Å; Y146-F156 AromaticContact CE2-CE1 3.98Å; Y146-F156 HydrophobicContact CE2-CE1 3.98Å; Y146-F156 HydrophobicContact CG-CD1 4.26Å; Y146-F156 AromaticContact CG-CE1 3.93Å; Y146-F156 HydrophobicContact CG-CE1 3.93Å; Y146-F156 HydrophobicContact CG-CZ 4.48Å; Y146-Q160 HydrophobicContact CE1-CB 4.46Å; Y146-Q160 HydrophobicContact CE1-CG 4.05Å |
| 147 | D | 95.1 | Very high | 94.3 | Very high | 16 Ų | 16 | 93 Ų | 93 | 9% | 0.086 | 45% | 0.447 | C | S | . | . | trans | -84.6 | 64.8 | 172.3 | -174.6 | 15.4 | 0 | 0 | 0 | 111.5 | F143 R149 M150 I151 G152 A154 | F143-D147 HydrophobicContact CD1-CB 4.04Å; F143-D147 HydrophobicContact CE1-CB 3.59Å; F143-D147 HydrophobicContact CZ-CB 4.32Å; F143-D147 PolarHBondContact O-N 3.34Å; D147-R149 PolarHBondContact O-N 3.44Å; D147-R149 VanDerWaalsContact O-N 3.14Å; D147-M150 PolarHBondContact O-N 3.27Å; D147-M150 WeakPolarHBondContact OD1-CA 3.49Å; D147-M150 PolarHBondContact OD1-N 3.19Å; D147-M150 VanDerWaalsContact OD1-N 3.11Å; D147-M150 WeakPolarHBondContact OD2-CA 3.49Å; D147-I151 PolarHBondContact OD1-N 3.27Å; D147-I151 PolarHBondContact OD2-N 3.33Å; D147-G152 WeakPolarHBondContact OD2-CA 3.2Å; D147-G152 PolarHBondContact OD2-N 3.42Å; D147-A154 HydrophobicContact CB-CB 4.15Å | ||
| 148 | Y | 91 | Very high | 94.4 | Very high | 187 Ų | 187 | 94.8 Ų | 94.8 | 73% | 0.733 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29 | -176.1 | -59.1 | -74.5 | 0 | 0 | 0 | 113.9 | Y146 | Y146-Y148 VanDerWaalsContact C-N 3.28Å; Y146-Y148 VanDerWaalsContact O-CD2 3.28Å; Y146-Y148 WeakPolarHBondContact O-CD2 3.44Å; Y146-Y148 PolarHBondContact O-N 2.88Å; Y146-Y148 VanDerWaalsContact O-N 3.11Å |
| 149 | R | 93.1 | Very high | 94.6 | Very high | 190 Ų | 190 | 99.8 Ų | 99.8 | 72% | 0.717 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -4.7 | -178.3 | -62.7 | -172.3 | -65.5 | -179.1 | -0.9 | 112.8 | D147 I151 | D147-R149 PolarHBondContact O-N 3.44Å; D147-R149 VanDerWaalsContact O-N 3.14Å; R149-I151 HydrophobicContact CB-CD1 4.45Å; R149-I151 HydrophobicContact CB-CG1 4.18Å; R149-I151 HydrophobicContact CB-CG2 3.94Å; R149-I151 WeakPolarHBondContact O-CG2 3.29Å; R149-I151 PolarHBondContact O-N 2.92Å |
| 150 | M | 91.6 | Very high | 94.6 | Very high | 171 Ų | 171 | 99.5 Ų | 99.5 | 84% | 0.842 | 47% | 0.472 | S | S | * | . | trans | 53.9 | 40 | -177.5 | -55.8 | -176.1 | 179.8 | 0 | 0 | 112.8 | D147 | D147-M150 PolarHBondContact O-N 3.27Å; D147-M150 WeakPolarHBondContact OD1-CA 3.49Å; D147-M150 PolarHBondContact OD1-N 3.19Å; D147-M150 VanDerWaalsContact OD1-N 3.11Å; D147-M150 WeakPolarHBondContact OD2-CA 3.49Å | ||
| 151 | I | 94.3 | Very high | 94.6 | Very high | 87 Ų | 87 | 104 Ų | 104 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -103.2 | 2.3 | -178.1 | 60.6 | 169.8 | 0 | 0 | 0 | 112.5 | D147 R149 Q153 | D147-I151 PolarHBondContact OD1-N 3.27Å; D147-I151 PolarHBondContact OD2-N 3.33Å; R149-I151 HydrophobicContact CB-CD1 4.45Å; R149-I151 HydrophobicContact CB-CG1 4.18Å; R149-I151 HydrophobicContact CB-CG2 3.94Å; R149-I151 WeakPolarHBondContact O-CG2 3.29Å; R149-I151 PolarHBondContact O-N 2.92Å; I151-Q153 VanDerWaalsContact C-N 3.28Å; I151-Q153 HydrophobicContact CD1-CB 4.02Å; I151-Q153 HydrophobicContact CG1-CB 4.02Å |
| 152 | G | 93.3 | Very high | 94.6 | Very high | 54 Ų | 54 | 104.7 Ų | 104.7 | 56% | 0.557 | 49% | 0.485 | S | S | * | . | S | Bend | trans | 74.6 | 19 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D147 | D147-G152 WeakPolarHBondContact OD2-CA 3.2Å; D147-G152 PolarHBondContact OD2-N 3.42Å |
| 153 | Q | 94.8 | Very high | 94.6 | Very high | 140 Ų | 140 | 107.2 Ų | 107.2 | 65% | 0.654 | 51% | 0.506 | S | S | * | . | trans | -136 | 127.7 | 177.3 | -60.6 | -176.5 | 0.7 | 0 | 0 | 110.1 | I151 | I151-Q153 VanDerWaalsContact C-N 3.28Å; I151-Q153 HydrophobicContact CD1-CB 4.02Å; I151-Q153 HydrophobicContact CG1-CB 4.02Å | ||
| 154 | A | 94.5 | Very high | 94.4 | Very high | 31 Ų | 31 | 104.9 Ų | 104.9 | 26% | 0.256 | 50% | 0.498 | S | S | . | . | trans | -137.8 | 149.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F143 D147 F156 | F143-A154 HydrophobicContact CD2-CB 4.39Å; F143-A154 HydrophobicContact CE1-CB 4.43Å; F143-A154 HydrophobicContact CE2-CB 3.84Å; F143-A154 HydrophobicContact CZ-CB 3.86Å; D147-A154 HydrophobicContact CB-CB 4.15Å; A154-F156 HydrophobicContact CB-CD2 4.4Å; A154-F156 HydrophobicContact CB-CE2 3.58Å; A154-F156 HydrophobicContact CB-CZ 3.91Å | ||
| 155 | Q | 94.5 | Very high | 94.3 | Very high | 178 Ų | 178 | 98.1 Ų | 98.1 | 83% | 0.832 | 48% | 0.48 | S | S | * | . | trans | -99.7 | 132 | 174 | -175.4 | 176.9 | 7.7 | 0 | 0 | 109.3 | ||||
| 156 | F | 94.3 | Very high | 94.2 | Very high | 58 Ų | 58 | 95.5 Ų | 95.5 | 25% | 0.254 | 47% | 0.474 | S | S | . | . | trans | -120.3 | 141.1 | 179.2 | -62.3 | -98 | 0 | 0 | 0 | 109.8 | F143 Y146 A154 Q160 F161 | F143-F156 AromaticContact CD2-CE2 3.84Å; F143-F156 HydrophobicContact CD2-CE2 3.84Å; F143-F156 AromaticContact CD2-CZ 3.57Å; F143-F156 HydrophobicContact CD2-CZ 3.57Å; F143-F156 AromaticContact CE2-CE2 3.93Å; F143-F156 HydrophobicContact CE2-CE2 3.93Å; F143-F156 HydrophobicContact CE2-CZ 4.11Å; F143-F156 HydrophobicContact CG-CZ 4.29Å; Y146-F156 AromaticContact CD2-CD1 3.91Å; Y146-F156 HydrophobicContact CD2-CD1 3.91Å; Y146-F156 AromaticContact CD2-CE1 3.36Å; Y146-F156 HydrophobicContact CD2-CE1 3.36Å; Y146-F156 HydrophobicContact CD2-CZ 4.14Å; Y146-F156 HydrophobicContact CE2-CD1 4.26Å; Y146-F156 AromaticContact CE2-CE1 3.98Å; Y146-F156 HydrophobicContact CE2-CE1 3.98Å; Y146-F156 HydrophobicContact CG-CD1 4.26Å; Y146-F156 AromaticContact CG-CE1 3.93Å; Y146-F156 HydrophobicContact CG-CE1 3.93Å; Y146-F156 HydrophobicContact CG-CZ 4.48Å; A154-F156 HydrophobicContact CB-CD2 4.4Å; A154-F156 HydrophobicContact CB-CE2 3.58Å; A154-F156 HydrophobicContact CB-CZ 3.91Å; F156-Q160 HydrophobicContact CB-CB 4.34Å; F156-Q160 HydrophobicContact CD1-CB 4.14Å; F156-F161 HydrophobicContact CB-CB 4.16Å | ||
| 157 | S | 97.1 | Very high | 93.9 | Very high | 53 Ų | 53 | 95.4 Ų | 95.4 | 37% | 0.371 | 48% | 0.481 | S | S | . | . | trans | -68.9 | 161.1 | 153.3 | 80.3 | 0 | 0 | 0 | 0 | 109.7 | E159 Q160 F161 | S157-E159 VanDerWaalsContact C-N 3.28Å; S157-E159 PolarHBondContact O-N 2.88Å; S157-Q160 PolarHBondContact O-N 3.35Å; S157-Q160 VanDerWaalsContact OG-CG 3.25Å; S157-Q160 WeakPolarHBondContact OG-CG 2.94Å; S157-Q160 PolarHBondContact OG-N 2.94Å; S157-F161 PolarHBondContact O-N 2.9Å | ||
| 158 | F | 97.3 | Very high | 93.2 | Very high | 150 Ų | 150 | 95.3 Ų | 95.3 | 66% | 0.658 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.8 | -42.1 | 178.3 | -177.5 | -121.9 | 0 | 0 | 0 | 112.2 | F161 L162 | F158-F161 WeakPolarHBondContact O-CB 3.04Å; F158-F161 PolarHBondContact O-N 2.81Å; F158-L162 HydrophobicContact CD1-CD1 4.05Å; F158-L162 HydrophobicContact CD2-CG 4.5Å; F158-L162 HydrophobicContact CE1-CD1 3.57Å; F158-L162 HydrophobicContact CE1-CG 4.24Å; F158-L162 HydrophobicContact CE2-CD1 4.36Å; F158-L162 HydrophobicContact CE2-CD2 4.17Å; F158-L162 HydrophobicContact CE2-CG 4.16Å; F158-L162 HydrophobicContact CZ-CD1 3.74Å; F158-L162 HydrophobicContact CZ-CD2 4.08Å; F158-L162 HydrophobicContact CZ-CG 4.03Å; F158-L162 WeakPolarHBondContact O-CG 3.24Å; F158-L162 PolarHBondContact O-N 3.18Å |
| 159 | E | 97.5 | Very high | 92.4 | Very high | 154 Ų | 154 | 91.3 Ų | 91.3 | 72% | 0.72 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.6 | -37.3 | 177.5 | -65.8 | -179.9 | 159.6 | 0 | 0 | 112.8 | S157 F161 L162 A163 | S157-E159 VanDerWaalsContact C-N 3.28Å; S157-E159 PolarHBondContact O-N 2.88Å; E159-F161 VanDerWaalsContact C-N 3.33Å; E159-L162 PolarHBondContact O-N 3.49Å; E159-A163 WeakPolarHBondContact O-CB 3.31Å; E159-A163 PolarHBondContact O-N 3.45Å |
| 160 | Q | 95.6 | Very high | 90.8 | Very high | 66 Ų | 66 | 89.2 Ų | 89.2 | 31% | 0.308 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 175.2 | -70 | 167.9 | -13.7 | 0 | 0 | 111.3 | Y146 F156 S157 A164 | Y146-Q160 HydrophobicContact CE1-CB 4.46Å; Y146-Q160 HydrophobicContact CE1-CG 4.05Å; F156-Q160 HydrophobicContact CB-CB 4.34Å; F156-Q160 HydrophobicContact CD1-CB 4.14Å; S157-Q160 PolarHBondContact O-N 3.35Å; S157-Q160 VanDerWaalsContact OG-CG 3.25Å; S157-Q160 WeakPolarHBondContact OG-CG 2.94Å; S157-Q160 PolarHBondContact OG-N 2.94Å; Q160-A164 WeakPolarHBondContact O-CB 3.2Å; Q160-A164 PolarHBondContact O-N 3.11Å |
| 161 | F | 95 | Very high | 90.7 | Very high | 119 Ų | 119 | 85.2 Ų | 85.2 | 52% | 0.522 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 173.8 | 173.1 | -104.4 | 0 | 0 | 0 | 111.6 | F156 S157 F158 E159 A164 A165 | F156-F161 HydrophobicContact CB-CB 4.16Å; S157-F161 PolarHBondContact O-N 2.9Å; F158-F161 WeakPolarHBondContact O-CB 3.04Å; F158-F161 PolarHBondContact O-N 2.81Å; E159-F161 VanDerWaalsContact C-N 3.33Å; F161-A164 PolarHBondContact O-N 2.98Å; F161-A165 WeakPolarHBondContact O-CB 3.26Å; F161-A165 PolarHBondContact O-N 3.04Å |
| 162 | L | 95.4 | Very high | 90.6 | Very high | 52 Ų | 52 | 85.1 Ų | 85.1 | 27% | 0.272 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.5 | -70.2 | -177.5 | 0 | 0 | 0 | 112 | F158 E159 A164 A165 F166 | F158-L162 HydrophobicContact CD1-CD1 4.05Å; F158-L162 HydrophobicContact CD2-CG 4.5Å; F158-L162 HydrophobicContact CE1-CD1 3.57Å; F158-L162 HydrophobicContact CE1-CG 4.24Å; F158-L162 HydrophobicContact CE2-CD1 4.36Å; F158-L162 HydrophobicContact CE2-CD2 4.17Å; F158-L162 HydrophobicContact CE2-CG 4.16Å; F158-L162 HydrophobicContact CZ-CD1 3.74Å; F158-L162 HydrophobicContact CZ-CD2 4.08Å; F158-L162 HydrophobicContact CZ-CG 4.03Å; F158-L162 WeakPolarHBondContact O-CG 3.24Å; F158-L162 PolarHBondContact O-N 3.18Å; E159-L162 PolarHBondContact O-N 3.49Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-A164 PolarHBondContact O-N 2.66Å; L162-A165 PolarHBondContact O-N 2.99Å; L162-F166 HydrophobicContact CB-CD2 4.47Å; L162-F166 HydrophobicContact CB-CE2 4.13Å; L162-F166 HydrophobicContact CD2-CZ 4.31Å; L162-F166 WeakPolarHBondContact O-CB 3.41Å; L162-F166 WeakPolarHBondContact O-CD2 3.41Å; L162-F166 VanDerWaalsContact O-CG 3.24Å; L162-F166 WeakPolarHBondContact O-CG 3.48Å; L162-F166 PolarHBondContact O-N 2.81Å |
| 163 | A | 94 | Very high | 90.4 | Very high | 63 Ų | 63 | 86.8 Ų | 86.8 | 52% | 0.521 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E159 S167 | E159-A163 WeakPolarHBondContact O-CB 3.31Å; E159-A163 PolarHBondContact O-N 3.45Å; A163-S167 PolarHBondContact O-N 3.16Å |
| 164 | A | 92.2 | Very high | 90.1 | Very high | 15 Ų | 15 | 83.6 Ų | 83.6 | 12% | 0.124 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L139 A142 Q160 F161 L162 F166 S167 | L139-A164 VanDerWaalsContact CD2-O 3.3Å; L139-A164 WeakPolarHBondContact CD2-O 3.39Å; A142-A164 HydrophobicContact CB-CB 3.75Å; Q160-A164 WeakPolarHBondContact O-CB 3.2Å; Q160-A164 PolarHBondContact O-N 3.11Å; F161-A164 PolarHBondContact O-N 2.98Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-A164 PolarHBondContact O-N 2.66Å; A164-F166 PolarHBondContact O-N 3.25Å; A164-S167 WeakPolarHBondContact O-CB 3.49Å; A164-S167 PolarHBondContact O-N 3.43Å; A164-S167 PolarHBondContact O-OG 2.76Å |
| 165 | A | 91.4 | Very high | 89.9 | Confident | 34 Ų | 34 | 86.9 Ų | 86.9 | 28% | 0.281 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F161 L162 S167 V168 | F161-A165 WeakPolarHBondContact O-CB 3.26Å; F161-A165 PolarHBondContact O-N 3.04Å; L162-A165 PolarHBondContact O-N 2.99Å; A165-S167 VanDerWaalsContact C-N 3.27Å; A165-S167 PolarHBondContact O-N 3.2Å; A165-V168 PolarHBondContact O-N 3.44Å |
| 166 | F | 92.1 | Very high | 89.6 | Confident | 130 Ų | 130 | 80.9 Ų | 80.9 | 57% | 0.57 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -71.4 | -18 | 179.7 | -63.9 | -24.1 | 0 | 0 | 0 | 113.7 | L162 A164 V168 V169 | L162-F166 HydrophobicContact CB-CD2 4.47Å; L162-F166 HydrophobicContact CB-CE2 4.13Å; L162-F166 HydrophobicContact CD2-CZ 4.31Å; L162-F166 WeakPolarHBondContact O-CB 3.41Å; L162-F166 WeakPolarHBondContact O-CD2 3.41Å; L162-F166 VanDerWaalsContact O-CG 3.24Å; L162-F166 WeakPolarHBondContact O-CG 3.48Å; L162-F166 PolarHBondContact O-N 2.81Å; A164-F166 PolarHBondContact O-N 3.25Å; F166-V168 PolarHBondContact O-N 2.97Å; F166-V168 VanDerWaalsContact O-N 3.08Å; F166-V169 PolarHBondContact O-N 3.1Å; F166-V169 VanDerWaalsContact O-N 3.08Å |
| 167 | S | 86.9 | Confident | 89.2 | Confident | 55 Ų | 55 | 82.5 Ų | 82.5 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17 | 175.5 | 70.9 | 0 | 0 | 0 | 0 | 114.5 | I138 A163 A164 A165 | I138-S167 VanDerWaalsContact CG2-OG 3.23Å; I138-S167 WeakPolarHBondContact CG2-OG 3.47Å; A163-S167 PolarHBondContact O-N 3.16Å; A164-S167 WeakPolarHBondContact O-CB 3.49Å; A164-S167 PolarHBondContact O-N 3.43Å; A164-S167 PolarHBondContact O-OG 2.76Å; A165-S167 VanDerWaalsContact C-N 3.27Å; A165-S167 PolarHBondContact O-N 3.2Å |
| 168 | V | 82 | Confident | 88.6 | Confident | 15 Ų | 15 | 84.8 Ų | 84.8 | 9% | 0.091 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -21.9 | 175.8 | 179.1 | 0 | 0 | 0 | 0 | 112.6 | C135 I138 L139 A165 F166 I170 | C135-V168 HydrophobicContact CB-CG1 3.81Å; C135-V168 WeakPolarHBondContact SG-CG1 3.45Å; I138-V168 HydrophobicContact CB-CG2 4Å; I138-V168 HydrophobicContact CG2-CG2 3.69Å; L139-V168 HydrophobicContact CD1-CG2 4.13Å; L139-V168 HydrophobicContact CD2-CG2 3.81Å; L139-V168 HydrophobicContact CG-CG2 3.57Å; A165-V168 PolarHBondContact O-N 3.44Å; F166-V168 PolarHBondContact O-N 2.97Å; F166-V168 VanDerWaalsContact O-N 3.08Å; V168-I170 PolarHBondContact O-N 3.41Å |
| 169 | V | 72.9 | Confident | 87.9 | Confident | 103 Ų | 103 | 79.3 Ų | 79.3 | 62% | 0.624 | 43% | 0.431 | S | S | * | . | trans | -81.8 | 109.7 | -178.4 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | F166 | F166-V169 PolarHBondContact O-N 3.1Å; F166-V169 VanDerWaalsContact O-N 3.08Å | ||
| 170 | I | 59.9 | Low | 87 | Confident | 146 Ų | 146 | 72.5 Ų | 72.5 | 75% | 0.749 | 40% | 0.404 | S | S | * | . | trans | -104.7 | 0 | 167 | -51 | 171.1 | 0 | 0 | 0 | 107.2 | L45 S48 V168 | L45-I170 HydrophobicContact CB-CD1 4.17Å; L45-I170 HydrophobicContact CD1-CD1 3.52Å; L45-I170 HydrophobicContact CG-CD1 4.46Å; S48-I170 WeakPolarHBondContact OG-CD1 3.3Å; V168-I170 PolarHBondContact O-N 3.41Å |
Retrieved 170 of 170 residues in 58.8 ms
(Link to these results)