| 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 | 74.6 | Confident | 93.2 | Very high | 79 Ų | 79 | 76.1 Ų | 76.1 | 39% | 0.389 | 38% | 0.376 | S | S | . | . | 0 | 136 | 0 | -171.6 | -167.4 | -61.9 | 0 | 0 | 106.7 | W3 A108 F115 | M1-W3 HydrophobicContact CE-CH2 4.25Å; M1-W3 HydrophobicContact CE-CZ2 4.03Å; M1-W3 HydrophobicContact SD-CD2 4.11Å; M1-W3 HydrophobicContact SD-CE3 4.24Å; M1-W3 HydrophobicContact SD-CH2 3.6Å; M1-W3 VanDerWaalsContact SD-CH2 3.6Å; M1-W3 HydrophobicContact SD-CZ2 3.4Å; M1-W3 WeakPolarHBondContact SD-CZ2 3.21Å; M1-W3 HydrophobicContact SD-CZ3 4.03Å; M1-A108 HydrophobicContact CE-CB 3.15Å; M1-A108 HydrophobicContact SD-CB 3.59Å; M1-A108 VanDerWaalsContact SD-CB 3.59Å; M1-F115 HydrophobicContact CB-CZ 4.13Å; M1-F115 HydrophobicContact CE-CD2 4.27Å; M1-F115 HydrophobicContact CE-CE1 4.39Å; M1-F115 HydrophobicContact CE-CE2 3.14Å; M1-F115 HydrophobicContact CE-CZ 3.21Å; M1-F115 HydrophobicContact CG-CZ 3.92Å; M1-F115 HydrophobicContact SD-CZ 4.25Å | |||
| 2 | K | 85.5 | Confident | 93.6 | Very high | 145 Ų | 145 | 82.6 Ų | 82.6 | 63% | 0.63 | 41% | 0.405 | S | S | * | . | trans | -88.4 | 119.3 | 174.7 | -173.3 | 173.8 | -179.4 | 171.6 | 0 | 107.7 | E7 | K2-E7 WeakPolarHBondContact CE-OE1 3.49Å; K2-E7 WeakPolarHBondContact CE-OE2 3.38Å; K2-E7 HydrophobicContact CG-CG 4.42Å; K2-E7 IonicContact NZ-OE1 2.7Å; K2-E7 IonicContact NZ-OE2 3.95Å; K2-E7 PolarHBondContact NZ-OE2 2.91Å | ||
| 3 | W | 93.4 | Very high | 94 | Very high | 30 Ų | 30 | 83.2 Ų | 83.2 | 11% | 0.114 | 41% | 0.405 | C | S | . | . | trans | -95.5 | 119.3 | 179 | -64 | 98.3 | 0 | 0 | 0 | 108.8 | M1 F5 K6 E7 E34 Y106 V107 A108 | M1-W3 HydrophobicContact CE-CH2 4.25Å; M1-W3 HydrophobicContact CE-CZ2 4.03Å; M1-W3 HydrophobicContact SD-CD2 4.11Å; M1-W3 HydrophobicContact SD-CE3 4.24Å; M1-W3 HydrophobicContact SD-CH2 3.6Å; M1-W3 VanDerWaalsContact SD-CH2 3.6Å; M1-W3 HydrophobicContact SD-CZ2 3.4Å; M1-W3 WeakPolarHBondContact SD-CZ2 3.21Å; M1-W3 HydrophobicContact SD-CZ3 4.03Å; W3-F5 PolarHBondContact O-N 3.15Å; W3-K6 HydrophobicContact CB-CB 4.14Å; W3-K6 HydrophobicContact CB-CD 4.38Å; W3-K6 HydrophobicContact CB-CG 3.92Å; W3-K6 PolarHBondContact O-N 3.29Å; W3-K6 VanDerWaalsContact O-N 3.11Å; W3-E7 PolarHBondContact O-N 3.32Å; W3-E34 WeakPolarHBondContact CA-OE2 3.3Å; W3-E34 HydrophobicContact CE3-CB 3.92Å; W3-E34 HydrophobicContact CE3-CG 3.9Å; W3-E34 HydrophobicContact CZ3-CB 3.88Å; W3-E34 HydrophobicContact CZ3-CG 4.16Å; W3-Y106 HydrophobicContact CB-CD1 4.4Å; W3-Y106 HydrophobicContact CB-CE1 4.24Å; W3-Y106 AromaticContact CD2-CD1 3.47Å; W3-Y106 HydrophobicContact CD2-CD1 3.47Å; W3-Y106 VanDerWaalsContact CD2-CD1 3.47Å; W3-Y106 HydrophobicContact CD2-CE1 4.19Å; W3-Y106 HydrophobicContact CD2-CG 4.22Å; W3-Y106 AromaticContact CE2-CD1 3.82Å; W3-Y106 AromaticContact CE3-CD1 3.61Å; W3-Y106 HydrophobicContact CE3-CD1 3.61Å; W3-Y106 HydrophobicContact CE3-CE1 4.42Å; W3-Y106 HydrophobicContact CE3-CG 4.49Å; W3-Y106 AromaticContact CG-CD1 3.82Å; W3-Y106 HydrophobicContact CG-CD1 3.82Å; W3-Y106 HydrophobicContact CG-CE1 4.1Å; W3-Y106 HydrophobicContact CH2-CD1 4.39Å; W3-Y106 VanDerWaalsContact CZ2-CB 3.47Å; W3-Y106 HydrophobicContact CZ2-CD1 4.3Å; W3-Y106 HydrophobicContact CZ2-CG 4.3Å; W3-Y106 HydrophobicContact CZ3-CD1 4.06Å; W3-V107 VanDerWaalsContact CH2-C 3.48Å; W3-A108 HydrophobicContact CH2-CB 3.87Å; W3-A108 HydrophobicContact CZ3-CB 4.37Å | ||
| 4 | M | 94.2 | Very high | 94.3 | Very high | 97 Ų | 97 | 78.3 Ų | 78.3 | 48% | 0.478 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 176.3 | -83 | -175.5 | 70.1 | 0 | 0 | 110.7 | K6 E7 D8 E34 R47 | M4-K6 PolarHBondContact O-N 3.46Å; M4-E7 WeakPolarHBondContact O-CA 3.41Å; M4-E7 WeakPolarHBondContact O-CB 3.34Å; M4-E7 PolarHBondContact O-N 3.43Å; M4-D8 VanDerWaalsContact O-CG 3.25Å; M4-D8 PolarHBondContact O-N 3.08Å; M4-E34 PolarHBondContact N-OE2 3.36Å; M4-R47 PolarHBondContact SD-NH1 3.48Å; M4-R47 VanDerWaalsContact SD-NH1 3.4Å; M4-R47 PolarHBondContact SD-NH2 3.04Å |
| 5 | F | 96.2 | Very high | 94.5 | Very high | 8 Ų | 8 | 76.1 Ų | 76.1 | 4% | 0.035 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.3 | -35.5 | 177.3 | -175.5 | -110.2 | 0 | 0 | 0 | 113.9 | W3 H9 R14 I32 E34 K48 F104 Y106 | W3-F5 PolarHBondContact O-N 3.15Å; F5-H9 AromaticContact CD2-CE1 3.61Å; F5-H9 AromaticContact CD2-ND1 3.4Å; F5-H9 WeakPolarHBondContact CD2-ND1 3.3Å; F5-H9 AromaticContact CE2-CE1 3.45Å; F5-H9 VanDerWaalsContact CE2-CE1 3.45Å; F5-H9 WeakPolarHBondContact CE2-CE1 3.33Å; F5-H9 AromaticContact CE2-CG 3.91Å; F5-H9 AromaticContact CE2-ND1 3.32Å; F5-H9 VanDerWaalsContact CE2-ND1 3.32Å; F5-H9 WeakPolarHBondContact CE2-ND1 3.24Å; F5-H9 PolarHBondContact O-N 3.39Å; F5-H9 PolarHBondContact O-ND1 2.97Å; F5-R14 HydrophobicContact CE1-CG 3.79Å; F5-R14 HydrophobicContact CZ-CG 4.18Å; F5-I32 HydrophobicContact CB-CG2 3.79Å; F5-I32 HydrophobicContact CD1-CB 4.49Å; F5-I32 HydrophobicContact CD1-CD1 3.59Å; F5-I32 HydrophobicContact CD1-CG1 3.62Å; F5-I32 HydrophobicContact CD1-CG2 4.12Å; F5-I32 HydrophobicContact CD2-CD1 4.22Å; F5-I32 HydrophobicContact CE1-CD1 3.52Å; F5-I32 HydrophobicContact CE1-CG1 3.84Å; F5-I32 HydrophobicContact CE2-CD1 4.19Å; F5-I32 HydrophobicContact CG-CD1 3.95Å; F5-I32 HydrophobicContact CG-CG1 4.24Å; F5-I32 HydrophobicContact CG-CG2 4.03Å; F5-I32 HydrophobicContact CZ-CD1 3.85Å; F5-E34 WeakPolarHBondContact CB-OE1 3.4Å; F5-E34 PolarHBondContact N-OE1 3.06Å; F5-K48 HydrophobicContact CD2-CD 4.44Å; F5-K48 HydrophobicContact CE2-CD 3.66Å; F5-K48 HydrophobicContact CE2-CG 4.3Å; F5-K48 HydrophobicContact CZ-CD 4.01Å; F5-F104 HydrophobicContact CE1-CD2 4.23Å; F5-F104 HydrophobicContact CE1-CE2 4.12Å; F5-F104 HydrophobicContact CE1-CZ 4.4Å; F5-F104 HydrophobicContact CZ-CE2 4.34Å; F5-F104 HydrophobicContact CZ-CZ 4.31Å; F5-Y106 HydrophobicContact CD1-CE1 4.04Å |
| 6 | K | 96.9 | Very high | 94.8 | Very high | 57 Ų | 57 | 77.3 Ų | 77.3 | 25% | 0.248 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -75.1 | -24.1 | 176.4 | -67.7 | -164.4 | -177.7 | -165.8 | 0 | 112.9 | W3 M4 H9 D100 Y106 | W3-K6 HydrophobicContact CB-CB 4.14Å; W3-K6 HydrophobicContact CB-CD 4.38Å; W3-K6 HydrophobicContact CB-CG 3.92Å; W3-K6 PolarHBondContact O-N 3.29Å; W3-K6 VanDerWaalsContact O-N 3.11Å; M4-K6 PolarHBondContact O-N 3.46Å; K6-H9 VanDerWaalsContact O-O 3.09Å; K6-D100 IonicContact NZ-OD1 2.84Å; K6-D100 PolarHBondContact NZ-OD1 2.89Å; K6-D100 IonicContact NZ-OD2 3.78Å; K6-D100 PolarHBondContact NZ-OD2 2.93Å; K6-Y106 HydrophobicContact CD-CE1 4.4Å; K6-Y106 VanDerWaalsContact CE-CE2 3.46Å; K6-Y106 VanDerWaalsContact CE-OH 3.31Å; K6-Y106 WeakPolarHBondContact CE-OH 3.36Å; K6-Y106 HydrophobicContact CG-CE1 3.89Å; K6-Y106 VanDerWaalsContact CG-OH 3.22Å; K6-Y106 WeakPolarHBondContact CG-OH 3.24Å |
| 7 | E | 95.7 | Very high | 95 | Very high | 123 Ų | 123 | 75.8 Ų | 75.8 | 58% | 0.575 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -79 | -38.3 | 173.7 | -58.3 | -75.7 | 128.7 | 0 | 0 | 111.1 | K2 W3 M4 H9 | K2-E7 WeakPolarHBondContact CE-OE1 3.49Å; K2-E7 WeakPolarHBondContact CE-OE2 3.38Å; K2-E7 HydrophobicContact CG-CG 4.42Å; K2-E7 IonicContact NZ-OE1 2.7Å; K2-E7 IonicContact NZ-OE2 3.95Å; K2-E7 PolarHBondContact NZ-OE2 2.91Å; W3-E7 PolarHBondContact O-N 3.32Å; M4-E7 WeakPolarHBondContact O-CA 3.41Å; M4-E7 WeakPolarHBondContact O-CB 3.34Å; M4-E7 PolarHBondContact O-N 3.43Å; E7-H9 VanDerWaalsContact C-N 3.3Å; E7-H9 PolarHBondContact O-N 3.26Å |
| 8 | D | 96.2 | Very high | 95.1 | Very high | 98 Ų | 98 | 71.9 Ų | 71.9 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -74.7 | -20.1 | -177.5 | -64 | -23.7 | 0 | 0 | 0 | 112.4 | M4 | M4-D8 VanDerWaalsContact O-CG 3.25Å; M4-D8 PolarHBondContact O-N 3.08Å |
| 9 | H | 96.9 | Very high | 95.3 | Very high | 55 Ų | 55 | 71.3 Ų | 71.3 | 26% | 0.255 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -138.3 | 130.2 | -173.9 | -52.1 | 80.3 | 0 | 0 | 0 | 112.3 | F5 K6 E7 H13 R14 | F5-H9 AromaticContact CD2-CE1 3.61Å; F5-H9 AromaticContact CD2-ND1 3.4Å; F5-H9 WeakPolarHBondContact CD2-ND1 3.3Å; F5-H9 AromaticContact CE2-CE1 3.45Å; F5-H9 VanDerWaalsContact CE2-CE1 3.45Å; F5-H9 WeakPolarHBondContact CE2-CE1 3.33Å; F5-H9 AromaticContact CE2-CG 3.91Å; F5-H9 AromaticContact CE2-ND1 3.32Å; F5-H9 VanDerWaalsContact CE2-ND1 3.32Å; F5-H9 WeakPolarHBondContact CE2-ND1 3.24Å; F5-H9 PolarHBondContact O-N 3.39Å; F5-H9 PolarHBondContact O-ND1 2.97Å; K6-H9 VanDerWaalsContact O-O 3.09Å; E7-H9 VanDerWaalsContact C-N 3.3Å; E7-H9 PolarHBondContact O-N 3.26Å; H9-H13 AromaticContact CD2-CE1 3.76Å; H9-H13 AromaticContact CD2-ND1 3.61Å; H9-R14 HydrophobicContact CB-CG 3.82Å; H9-R14 PolarHBondContact O-NE 2.91Å |
| 10 | S | 97.6 | Very high | 95.4 | Very high | 73 Ų | 73 | 75.7 Ų | 75.7 | 51% | 0.51 | 38% | 0.384 | S | S | . | . | trans | -59.3 | 153 | 174.6 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | E12 H13 R14 | S10-E12 VanDerWaalsContact C-N 3.28Å; S10-E12 PolarHBondContact O-N 3.5Å; S10-H13 PolarHBondContact O-N 2.94Å; S10-H13 WeakPolarHBondContact OG-CB 3.24Å; S10-H13 PolarHBondContact OG-N 2.96Å; S10-R14 WeakPolarHBondContact O-CG 3.37Å; S10-R14 PolarHBondContact O-N 3.4Å | ||
| 11 | L | 98 | Very high | 95.5 | Very high | 72 Ų | 72 | 74.3 Ų | 74.3 | 38% | 0.377 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -54.1 | -46.5 | 176.1 | 176.1 | 61.3 | 0 | 0 | 0 | 111.5 | H13 R14 C15 E101 D102 | L11-H13 VanDerWaalsContact C-N 3.34Å; L11-H13 PolarHBondContact O-N 3.37Å; L11-R14 PolarHBondContact O-N 3.47Å; L11-R14 VanDerWaalsContact O-N 3.15Å; L11-C15 PolarHBondContact O-N 3.05Å; L11-C15 PolarHBondContact O-SG 2.69Å; L11-E101 HydrophobicContact CD1-CG 4.08Å; L11-D102 HydrophobicContact CD1-CB 3.75Å |
| 12 | E | 98.2 | Very high | 96.6 | Very high | 154 Ų | 154 | 73.5 Ų | 73.5 | 72% | 0.72 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -58.7 | -44.4 | 179.6 | -171.8 | 176.3 | -171.2 | 0 | 0 | 112.3 | S10 R14 C15 V16 | S10-E12 VanDerWaalsContact C-N 3.28Å; S10-E12 PolarHBondContact O-N 3.5Å; E12-R14 PolarHBondContact O-N 3.02Å; E12-C15 PolarHBondContact O-N 2.9Å; E12-V16 WeakPolarHBondContact O-CG2 3.28Å; E12-V16 PolarHBondContact O-N 3.27Å |
| 13 | H | 98.1 | Very high | 97.2 | Very high | 90 Ų | 90 | 70.6 Ų | 70.6 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 176.4 | 178.9 | -93.2 | 0 | 0 | 0 | 111.6 | H9 S10 L11 V16 E17 | H9-H13 AromaticContact CD2-CE1 3.76Å; H9-H13 AromaticContact CD2-ND1 3.61Å; S10-H13 PolarHBondContact O-N 2.94Å; S10-H13 WeakPolarHBondContact OG-CB 3.24Å; S10-H13 PolarHBondContact OG-N 2.96Å; L11-H13 VanDerWaalsContact C-N 3.34Å; L11-H13 PolarHBondContact O-N 3.37Å; H13-V16 PolarHBondContact O-N 2.95Å; H13-E17 IonicContact CE1-OE2 3.34Å; H13-E17 PolarHBondContact CE1-OE2 3.38Å; H13-E17 VanDerWaalsContact CE1-OE2 3.27Å; H13-E17 IonicContact ND1-OE2 3.5Å; H13-E17 WeakPolarHBondContact O-CB 3.48Å; H13-E17 PolarHBondContact O-N 3.4Å |
| 14 | R | 98.4 | Very high | 97.4 | Very high | 15 Ų | 15 | 75.8 Ų | 75.8 | 6% | 0.057 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 178 | -67 | -176 | -70.8 | 119.3 | 2.7 | 111.7 | F5 H9 S10 L11 E12 V16 E17 S18 D100 D102 F104 Y106 | F5-R14 HydrophobicContact CE1-CG 3.79Å; F5-R14 HydrophobicContact CZ-CG 4.18Å; H9-R14 HydrophobicContact CB-CG 3.82Å; H9-R14 PolarHBondContact O-NE 2.91Å; S10-R14 WeakPolarHBondContact O-CG 3.37Å; S10-R14 PolarHBondContact O-N 3.4Å; L11-R14 PolarHBondContact O-N 3.47Å; L11-R14 VanDerWaalsContact O-N 3.15Å; E12-R14 PolarHBondContact O-N 3.02Å; R14-V16 PolarHBondContact O-N 3.3Å; R14-E17 PolarHBondContact O-N 3.46Å; R14-S18 WeakPolarHBondContact O-CB 3.18Å; R14-S18 PolarHBondContact O-N 3.29Å; R14-S18 PolarHBondContact O-OG 3.22Å; R14-D100 IonicContact NH1-OD1 2.97Å; R14-D102 HydrophobicContact CB-CB 3.81Å; R14-D102 WeakPolarHBondContact CB-OD2 3.38Å; R14-D102 VanDerWaalsContact CD-OD2 3.31Å; R14-D102 WeakPolarHBondContact CD-OD2 3.41Å; R14-D102 IonicContact CZ-OD2 3.75Å; R14-D102 IonicContact NE-OD2 2.75Å; R14-D102 VanDerWaalsContact NH1-CB 3.26Å; R14-D102 IonicContact NH1-OD2 3.83Å; R14-D102 PolarHBondContact NH1-OD2 3.2Å; R14-F104 HydrophobicContact CB-CD2 4.43Å; R14-F104 HydrophobicContact CB-CE2 4.25Å; R14-F104 WeakPolarHBondContact O-CE2 3.21Å; R14-Y106 WeakPolarHBondContact CD-OH 3.14Å; R14-Y106 PolarHBondContact NH1-OH 2.84Å; R14-Y106 VanDerWaalsContact NH1-OH 3.07Å |
| 15 | C | 98.3 | Very high | 97.6 | Very high | 46 Ų | 46 | 75 Ų | 75 | 31% | 0.311 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 176.1 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | L11 E12 S18 A19 D102 | L11-C15 PolarHBondContact O-N 3.05Å; L11-C15 PolarHBondContact O-SG 2.69Å; E12-C15 PolarHBondContact O-N 2.9Å; C15-S18 PolarHBondContact O-OG 3.37Å; C15-S18 VanDerWaalsContact O-OG 3.08Å; C15-A19 VanDerWaalsContact O-CB 3.24Å; C15-A19 WeakPolarHBondContact O-CB 3.34Å; C15-A19 PolarHBondContact O-N 3.45Å; C15-D102 WeakPolarHBondContact CA-O 3.15Å |
| 16 | V | 98.4 | Very high | 97.7 | Very high | 94 Ų | 94 | 79.1 Ų | 79.1 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.4 | -43.1 | 179.1 | 172 | 0 | 0 | 0 | 0 | 110.7 | E12 H13 R14 K20 | E12-V16 WeakPolarHBondContact O-CG2 3.28Å; E12-V16 PolarHBondContact O-N 3.27Å; H13-V16 PolarHBondContact O-N 2.95Å; R14-V16 PolarHBondContact O-N 3.3Å; V16-K20 WeakPolarHBondContact O-CB 3.46Å; V16-K20 PolarHBondContact O-N 2.96Å |
| 17 | E | 97.9 | Very high | 97.7 | Very high | 52 Ų | 52 | 80.6 Ų | 80.6 | 24% | 0.243 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.4 | -47.9 | -179.9 | -170.7 | 179.2 | 162.8 | 0 | 0 | 111.8 | H13 R14 K20 I21 K48 F104 | H13-E17 IonicContact CE1-OE2 3.34Å; H13-E17 PolarHBondContact CE1-OE2 3.38Å; H13-E17 VanDerWaalsContact CE1-OE2 3.27Å; H13-E17 IonicContact ND1-OE2 3.5Å; H13-E17 WeakPolarHBondContact O-CB 3.48Å; H13-E17 PolarHBondContact O-N 3.4Å; R14-E17 PolarHBondContact O-N 3.46Å; E17-K20 PolarHBondContact O-N 3.04Å; E17-I21 PolarHBondContact O-N 2.72Å; E17-K48 IonicContact OE1-NZ 2.69Å; E17-K48 PolarHBondContact OE1-NZ 3.01Å; E17-K48 IonicContact OE2-NZ 3.54Å; E17-F104 HydrophobicContact CB-CZ 4.39Å; E17-F104 HydrophobicContact CG-CZ 4.22Å |
| 18 | S | 98 | Very high | 97.9 | Very high | 7 Ų | 7 | 79.2 Ų | 79.2 | 5% | 0.049 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | -179.7 | 71 | 0 | 0 | 0 | 0 | 111.7 | R14 C15 K20 I21 R22 D102 | R14-S18 WeakPolarHBondContact O-CB 3.18Å; R14-S18 PolarHBondContact O-N 3.29Å; R14-S18 PolarHBondContact O-OG 3.22Å; C15-S18 PolarHBondContact O-OG 3.37Å; C15-S18 VanDerWaalsContact O-OG 3.08Å; S18-K20 PolarHBondContact O-N 2.8Å; S18-I21 WeakPolarHBondContact O-CG2 3.39Å; S18-I21 PolarHBondContact O-N 2.75Å; S18-R22 WeakPolarHBondContact O-CB 3.21Å; S18-R22 VanDerWaalsContact O-CG 3.24Å; S18-R22 WeakPolarHBondContact O-CG 3.44Å; S18-R22 PolarHBondContact O-N 2.94Å; S18-D102 WeakPolarHBondContact CB-O 3.47Å; S18-D102 PolarHBondContact OG-O 2.79Å |
| 19 | A | 98.1 | Very high | 98 | Very high | 60 Ų | 60 | 74.6 Ų | 74.6 | 50% | 0.496 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | C15 R22 A23 | C15-A19 VanDerWaalsContact O-CB 3.24Å; C15-A19 WeakPolarHBondContact O-CB 3.34Å; C15-A19 PolarHBondContact O-N 3.45Å; A19-R22 PolarHBondContact O-N 2.85Å; A19-A23 WeakPolarHBondContact O-CB 3.45Å; A19-A23 PolarHBondContact O-N 3.04Å |
| 20 | K | 98.3 | Very high | 98.1 | Very high | 159 Ų | 159 | 72.1 Ų | 72.1 | 69% | 0.691 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.3 | -45 | 177.9 | -177.4 | 178.8 | -179.9 | 177.9 | 0 | 112.1 | V16 E17 S18 K24 | V16-K20 WeakPolarHBondContact O-CB 3.46Å; V16-K20 PolarHBondContact O-N 2.96Å; E17-K20 PolarHBondContact O-N 3.04Å; S18-K20 PolarHBondContact O-N 2.8Å; K20-K24 WeakPolarHBondContact O-CB 3.32Å; K20-K24 PolarHBondContact O-N 2.62Å; K20-K24 VanDerWaalsContact O-N 3.15Å |
| 21 | I | 97.6 | Very high | 98.1 | Very high | 47 Ų | 47 | 68.7 Ų | 68.7 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.4 | -36.1 | -177.8 | -160.7 | 68.4 | 0 | 0 | 0 | 111.9 | E17 S18 K24 Y25 P30 L50 | E17-I21 PolarHBondContact O-N 2.72Å; S18-I21 WeakPolarHBondContact O-CG2 3.39Å; S18-I21 PolarHBondContact O-N 2.75Å; I21-K24 PolarHBondContact O-N 3.3Å; I21-Y25 HydrophobicContact CD1-CD2 3.54Å; I21-Y25 HydrophobicContact CD1-CE2 3.56Å; I21-Y25 HydrophobicContact CG1-CD2 4.01Å; I21-Y25 HydrophobicContact CG1-CE2 4.5Å; I21-Y25 PolarHBondContact O-N 3.01Å; I21-P30 HydrophobicContact CG2-CB 3.88Å; I21-P30 HydrophobicContact CG2-CG 4.2Å; I21-L50 HydrophobicContact CD1-CD2 4.23Å; I21-L50 HydrophobicContact CG1-CD1 3.86Å; I21-L50 HydrophobicContact CG1-CD2 4.05Å |
| 22 | R | 97.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 65.2 Ų | 65.2 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 174 | -74.1 | -73.1 | -67.2 | 154.5 | -6.2 | 112.1 | S18 A19 K24 Y25 P26 R28 P30 | S18-R22 WeakPolarHBondContact O-CB 3.21Å; S18-R22 VanDerWaalsContact O-CG 3.24Å; S18-R22 WeakPolarHBondContact O-CG 3.44Å; S18-R22 PolarHBondContact O-N 2.94Å; A19-R22 PolarHBondContact O-N 2.85Å; R22-K24 VanDerWaalsContact C-N 3.28Å; R22-K24 PolarHBondContact O-N 2.83Å; R22-Y25 CarbonylContact O-C 3.49Å; R22-Y25 PolarHBondContact O-N 3.5Å; R22-P26 PolarHBondContact NH1-O 3.28Å; R22-P26 VanDerWaalsContact O-CA 3.3Å; R22-P26 WeakPolarHBondContact O-CA 3.4Å; R22-R28 WeakPolarHBondContact CD-O 3.49Å; R22-R28 PolarHBondContact NH1-O 3.01Å; R22-P30 VanDerWaalsContact CD-CD 3.42Å; R22-P30 HydrophobicContact CG-CG 4.12Å |
| 23 | A | 97.9 | Very high | 98.1 | Very high | 85 Ų | 85 | 57.9 Ų | 57.9 | 70% | 0.702 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.9 | -35.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | A19 | A19-A23 WeakPolarHBondContact O-CB 3.45Å; A19-A23 PolarHBondContact O-N 3.04Å |
| 24 | K | 98.3 | Very high | 98.1 | Very high | 139 Ų | 139 | 54.2 Ų | 54.2 | 60% | 0.604 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -76.9 | -33.7 | 179.3 | -168.8 | 175.7 | 179.6 | -166.7 | 0 | 113.5 | K20 I21 R22 | K20-K24 WeakPolarHBondContact O-CB 3.32Å; K20-K24 PolarHBondContact O-N 2.62Å; K20-K24 VanDerWaalsContact O-N 3.15Å; I21-K24 PolarHBondContact O-N 3.3Å; R22-K24 VanDerWaalsContact C-N 3.28Å; R22-K24 PolarHBondContact O-N 2.83Å |
| 25 | Y | 98.2 | Very high | 97.9 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | trans | -134.2 | 75.4 | -177 | -55.2 | -75.9 | 0 | 0 | 0 | 110.3 | I21 R22 D27 R28 L50 | I21-Y25 HydrophobicContact CD1-CD2 3.54Å; I21-Y25 HydrophobicContact CD1-CE2 3.56Å; I21-Y25 HydrophobicContact CG1-CD2 4.01Å; I21-Y25 HydrophobicContact CG1-CE2 4.5Å; I21-Y25 PolarHBondContact O-N 3.01Å; R22-Y25 CarbonylContact O-C 3.49Å; R22-Y25 PolarHBondContact O-N 3.5Å; Y25-D27 PolarHBondContact O-N 2.54Å; Y25-R28 PolarHBondContact O-N 3.08Å; Y25-R28 VanDerWaalsContact O-N 3.08Å; Y25-L50 HydrophobicContact CD1-CD2 4.5Å; Y25-L50 HydrophobicContact CD2-CD2 3.41Å; Y25-L50 VanDerWaalsContact CD2-CD2 3.41Å; Y25-L50 HydrophobicContact CE2-CD2 3.97Å; Y25-L50 HydrophobicContact CG-CD2 3.7Å | ||
| 26 | P | 97.4 | Very high | 97.7 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 60% | 0.604 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.2 | -171.8 | 25.3 | -34.6 | 0 | 0 | 0 | 113.6 | R22 R28 | R22-P26 PolarHBondContact NH1-O 3.28Å; R22-P26 VanDerWaalsContact O-CA 3.3Å; R22-P26 WeakPolarHBondContact O-CA 3.4Å; P26-R28 PolarHBondContact O-N 3.23Å |
| 27 | D | 97.8 | Very high | 97.3 | Very high | 89 Ų | 89 | 55.1 Ų | 55.1 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -2.7 | 176.8 | 64.3 | -44.6 | 0 | 0 | 0 | 113.6 | Y25 S53 | Y25-D27 PolarHBondContact O-N 2.54Å; D27-S53 VanDerWaalsContact O-CB 3.28Å; D27-S53 WeakPolarHBondContact O-CB 3.41Å; D27-S53 PolarHBondContact O-N 3.21Å; D27-S53 PolarHBondContact O-OG 3.3Å |
| 28 | R | 98.5 | Very high | 96.9 | Very high | 93 Ų | 93 | 55.9 Ų | 55.9 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144.3 | -175.6 | -57.4 | -169.4 | 176.5 | -138.6 | 0.5 | 113.8 | R22 Y25 P26 L50 V51 | R22-R28 WeakPolarHBondContact CD-O 3.49Å; R22-R28 PolarHBondContact NH1-O 3.01Å; Y25-R28 PolarHBondContact O-N 3.08Å; Y25-R28 VanDerWaalsContact O-N 3.08Å; P26-R28 PolarHBondContact O-N 3.23Å; R28-L50 HydrophobicContact CB-CD1 3.68Å; R28-L50 HydrophobicContact CB-CD2 4.27Å; R28-L50 HydrophobicContact CB-CG 3.64Å; R28-L50 HydrophobicContact CG-CG 4.29Å; R28-L50 PolarHBondContact NH1-O 2.9Å; R28-V51 CarbonylContact C-O 3.34Å; R28-V51 WeakPolarHBondContact CA-O 3.12Å; R28-V51 WeakPolarHBondContact CB-O 3.41Å |
| 29 | V | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131.1 | 178.2 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | V31 V51 M91 Y95 | V29-V31 HydrophobicContact CG2-CG2 3.86Å; V29-V51 HydrophobicContact CG2-CB 3.96Å; V29-V51 PolarHBondContact N-O 2.93Å; V29-V51 PolarHBondContact O-N 3.31Å; V29-M91 HydrophobicContact CG2-CB 3.97Å; V29-Y95 HydrophobicContact CB-CD2 3.88Å; V29-Y95 HydrophobicContact CB-CG 4Å; V29-Y95 HydrophobicContact CG1-CD1 4.05Å; V29-Y95 HydrophobicContact CG1-CD2 4.04Å; V29-Y95 HydrophobicContact CG1-CG 3.64Å |
| 30 | P | 98.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.019 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 123.3 | 173.5 | 33.6 | -35.4 | 0 | 0 | 0 | 109.4 | I21 R22 Y49 L50 Y95 G103 F104 L105 | I21-P30 HydrophobicContact CG2-CB 3.88Å; I21-P30 HydrophobicContact CG2-CG 4.2Å; R22-P30 VanDerWaalsContact CD-CD 3.42Å; R22-P30 HydrophobicContact CG-CG 4.12Å; P30-Y49 WeakPolarHBondContact CA-O 3.05Å; P30-L50 HydrophobicContact CB-CD1 4.47Å; P30-Y95 HydrophobicContact CG-CE2 4.18Å; P30-G103 WeakPolarHBondContact CG-O 3.31Å; P30-F104 HydrophobicContact CB-CD1 3.61Å; P30-F104 HydrophobicContact CB-CE1 3.66Å; P30-F104 HydrophobicContact CG-CD1 4.19Å; P30-F104 HydrophobicContact CG-CE1 4.49Å; P30-L105 PolarHBondContact O-N 3.38Å |
| 31 | V | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130 | -174.3 | -171.1 | 0 | 0 | 0 | 0 | 110 | V29 V33 Y49 V51 F60 M91 L105 V107 | V29-V31 HydrophobicContact CG2-CG2 3.86Å; V31-V33 HydrophobicContact CG1-CG2 3.95Å; V31-Y49 PolarHBondContact N-O 3.21Å; V31-Y49 PolarHBondContact O-N 3.32Å; V31-V51 HydrophobicContact CB-CG2 4.21Å; V31-V51 HydrophobicContact CG2-CB 4.27Å; V31-V51 HydrophobicContact CG2-CG2 3.71Å; V31-F60 HydrophobicContact CB-CZ 4.44Å; V31-F60 HydrophobicContact CG1-CE1 4.19Å; V31-F60 HydrophobicContact CG1-CZ 3.94Å; V31-M91 HydrophobicContact CG1-CE 4.49Å; V31-M91 HydrophobicContact CG2-CE 3.96Å; V31-L105 CarbonylContact C-O 3.52Å; V31-L105 VanDerWaalsContact CA-O 3.3Å; V31-L105 WeakPolarHBondContact CA-O 3.44Å; V31-L105 HydrophobicContact CG1-CD2 4.5Å; V31-L105 HydrophobicContact CG2-CB 4.4Å; V31-L105 HydrophobicContact CG2-CD2 4.31Å; V31-V107 HydrophobicContact CG1-CB 4.19Å; V31-V107 HydrophobicContact CG1-CG2 3.6Å |
| 32 | I | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.9 | 170.1 | -56.1 | -59 | 0 | 0 | 0 | 108 | F5 E34 R47 K48 F104 L105 Y106 V107 | F5-I32 HydrophobicContact CB-CG2 3.79Å; F5-I32 HydrophobicContact CD1-CB 4.49Å; F5-I32 HydrophobicContact CD1-CD1 3.59Å; F5-I32 HydrophobicContact CD1-CG1 3.62Å; F5-I32 HydrophobicContact CD1-CG2 4.12Å; F5-I32 HydrophobicContact CD2-CD1 4.22Å; F5-I32 HydrophobicContact CE1-CD1 3.52Å; F5-I32 HydrophobicContact CE1-CG1 3.84Å; F5-I32 HydrophobicContact CE2-CD1 4.19Å; F5-I32 HydrophobicContact CG-CD1 3.95Å; F5-I32 HydrophobicContact CG-CG1 4.24Å; F5-I32 HydrophobicContact CG-CG2 4.03Å; F5-I32 HydrophobicContact CZ-CD1 3.85Å; I32-E34 HydrophobicContact CG2-CG 4.09Å; I32-R47 CarbonylContact C-O 3.49Å; I32-R47 WeakPolarHBondContact CA-O 3.4Å; I32-K48 HydrophobicContact CD1-CB 4.38Å; I32-K48 HydrophobicContact CD1-CD 4.12Å; I32-K48 HydrophobicContact CD1-CG 3.68Å; I32-F104 HydrophobicContact CD1-CD1 3.66Å; I32-F104 HydrophobicContact CD1-CE1 3.88Å; I32-F104 HydrophobicContact CD1-CG 4.27Å; I32-F104 HydrophobicContact CG1-CB 3.95Å; I32-F104 HydrophobicContact CG1-CD1 3.69Å; I32-F104 HydrophobicContact CG1-CE1 4.4Å; I32-F104 HydrophobicContact CG1-CG 3.92Å; I32-L105 PolarHBondContact N-O 3.15Å; I32-Y106 HydrophobicContact CB-CD1 3.74Å; I32-Y106 HydrophobicContact CB-CE1 3.88Å; I32-Y106 HydrophobicContact CB-CG 4.39Å; I32-Y106 HydrophobicContact CG1-CD1 4.24Å; I32-Y106 HydrophobicContact CG1-CE1 3.93Å; I32-Y106 HydrophobicContact CG2-CD1 3.89Å; I32-Y106 HydrophobicContact CG2-CE1 3.9Å; I32-V107 PolarHBondContact O-N 3.05Å |
| 33 | V | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 115.6 | -178.3 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | V31 I44 R47 Y49 F60 I64 V107 Y109 | V31-V33 HydrophobicContact CG1-CG2 3.95Å; V33-I44 HydrophobicContact CG1-CD1 4.1Å; V33-R47 PolarHBondContact N-O 3.41Å; V33-R47 WeakPolarHBondContact O-CA 3.36Å; V33-R47 VanDerWaalsContact O-CB 3.32Å; V33-R47 WeakPolarHBondContact O-CB 3.36Å; V33-R47 WeakPolarHBondContact O-CG 3.43Å; V33-Y49 HydrophobicContact CB-CD2 4.04Å; V33-Y49 HydrophobicContact CB-CE2 3.94Å; V33-Y49 HydrophobicContact CG2-CD2 3.54Å; V33-Y49 HydrophobicContact CG2-CE2 3.89Å; V33-Y49 HydrophobicContact CG2-CG 4.48Å; V33-F60 HydrophobicContact CG2-CE1 4.17Å; V33-F60 HydrophobicContact CG2-CZ 3.65Å; V33-I64 HydrophobicContact CG1-CD1 4.12Å; V33-I64 HydrophobicContact CG2-CD1 4.12Å; V33-V107 VanDerWaalsContact CA-O 3.25Å; V33-V107 WeakPolarHBondContact CA-O 3.48Å; V33-Y109 HydrophobicContact CG1-CD1 3.61Å; V33-Y109 HydrophobicContact CG1-CE1 4.01Å |
| 34 | E | 97 | Very high | 95.8 | Very high | 13 Ų | 13 | 55 Ų | 55 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 151.8 | 178.3 | -60.1 | -161.4 | 156.7 | 0 | 0 | 112.2 | W3 M4 F5 I32 R47 V107 A108 Y109 | W3-E34 WeakPolarHBondContact CA-OE2 3.3Å; W3-E34 HydrophobicContact CE3-CB 3.92Å; W3-E34 HydrophobicContact CE3-CG 3.9Å; W3-E34 HydrophobicContact CZ3-CB 3.88Å; W3-E34 HydrophobicContact CZ3-CG 4.16Å; M4-E34 PolarHBondContact N-OE2 3.36Å; F5-E34 WeakPolarHBondContact CB-OE1 3.4Å; F5-E34 PolarHBondContact N-OE1 3.06Å; I32-E34 HydrophobicContact CG2-CG 4.09Å; E34-R47 HydrophobicContact CG-CG 4.5Å; E34-R47 IonicContact OE1-NH1 3.3Å; E34-R47 PolarHBondContact OE1-NH1 2.92Å; E34-V107 PolarHBondContact N-O 3.37Å; E34-V107 VanDerWaalsContact N-O 3.1Å; E34-A108 CarbonylContact O-C 3.56Å; E34-A108 WeakPolarHBondContact O-CA 3.33Å; E34-Y109 WeakPolarHBondContact O-CD1 3.4Å; E34-Y109 WeakPolarHBondContact O-CE1 3.18Å; E34-Y109 PolarHBondContact O-N 3.47Å |
| 35 | K | 95.3 | Very high | 95.6 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 140.6 | 176.6 | -164.4 | 173.2 | 68.4 | -177.7 | 0 | 109.4 | S37 S39 I41 D43 Y109 | K35-S37 PolarHBondContact O-N 3.26Å; K35-S39 WeakPolarHBondContact CE-O 3.18Å; K35-I41 HydrophobicContact CD-CG2 3.65Å; K35-I41 WeakPolarHBondContact CD-O 3.4Å; K35-I41 HydrophobicContact CG-CG2 3.76Å; K35-I41 PolarHBondContact NZ-O 2.95Å; K35-D43 WeakPolarHBondContact CD-OD1 3.38Å; K35-D43 WeakPolarHBondContact CE-OD1 3.5Å; K35-D43 IonicContact NZ-OD1 2.77Å; K35-D43 PolarHBondContact NZ-OD1 3.28Å; K35-D43 IonicContact NZ-OD2 2.64Å; K35-D43 PolarHBondContact NZ-OD2 3.37Å; K35-Y109 HydrophobicContact CB-CE1 3.91Å; K35-Y109 HydrophobicContact CB-CE2 4.21Å; K35-Y109 WeakPolarHBondContact CB-OH 3.2Å; K35-Y109 HydrophobicContact CD-CE2 4.4Å; K35-Y109 HydrophobicContact CG-CE2 3.97Å; K35-Y109 VanDerWaalsContact N-CE1 3.29Å |
| 36 | V | 93.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 129.7 | 167.9 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | G38 S39 F79 A108 Y109 F115 | V36-G38 PolarHBondContact O-N 3.45Å; V36-S39 WeakPolarHBondContact O-CB 3.45Å; V36-S39 PolarHBondContact O-N 3.35Å; V36-S39 VanDerWaalsContact O-N 3.08Å; V36-F79 HydrophobicContact CG2-CD2 4.4Å; V36-A108 HydrophobicContact CG2-CB 3.82Å; V36-Y109 PolarHBondContact N-O 3.5Å; V36-F115 HydrophobicContact CB-CE2 4.35Å; V36-F115 HydrophobicContact CG1-CD2 4.36Å; V36-F115 HydrophobicContact CG1-CE2 3.78Å; V36-F115 HydrophobicContact CG1-CZ 4.13Å; V36-F115 HydrophobicContact CG2-CD2 4.18Å; V36-F115 HydrophobicContact CG2-CE2 3.59Å |
| 37 | S | 89.6 | Confident | 95.3 | Very high | 108 Ų | 108 | 55.4 Ų | 55.4 | 76% | 0.755 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 134.7 | 175.8 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | K35 S39 | K35-S37 PolarHBondContact O-N 3.26Å; S37-S39 VanDerWaalsContact C-N 3.25Å; S37-S39 PolarHBondContact O-N 3.41Å |
| 38 | G | 88.7 | Confident | 95.3 | Very high | 69 Ų | 69 | 55.8 Ų | 55.8 | 71% | 0.711 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -15.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V36 Q40 | V36-G38 PolarHBondContact O-N 3.45Å; G38-Q40 PolarHBondContact O-N 2.84Å; G38-Q40 PolarHBondContact O-NE2 2.82Å |
| 39 | S | 92.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | trans | -65.5 | 133.3 | 178.1 | -163.8 | 0 | 0 | 0 | 0 | 111.7 | K35 V36 S37 I41 S110 G111 | K35-S39 WeakPolarHBondContact CE-O 3.18Å; V36-S39 WeakPolarHBondContact O-CB 3.45Å; V36-S39 PolarHBondContact O-N 3.35Å; V36-S39 VanDerWaalsContact O-N 3.08Å; S37-S39 VanDerWaalsContact C-N 3.25Å; S37-S39 PolarHBondContact O-N 3.41Å; S39-I41 PolarHBondContact O-N 3.19Å; S39-I41 WeakPolarHBondContact OG-CG2 3.46Å; S39-S110 PolarHBondContact OG-OG 2.8Å; S39-G111 PolarHBondContact OG-N 3.04Å | ||
| 40 | Q | 91.8 | Very high | 95.3 | Very high | 177 Ų | 177 | 55.7 Ų | 55.7 | 83% | 0.827 | 30% | 0.297 | S | S | * | . | trans | -81.9 | 3.7 | 178.9 | -57.5 | -57.2 | -56.3 | 0 | 0 | 113.4 | G38 | G38-Q40 PolarHBondContact O-N 2.84Å; G38-Q40 PolarHBondContact O-NE2 2.82Å | ||
| 41 | I | 94.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 55.8 Ų | 55.8 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -69.2 | 150.7 | 174.4 | -163.5 | 161.6 | 0 | 0 | 0 | 110.8 | K35 S39 I68 L70 I76 Y109 | K35-I41 HydrophobicContact CD-CG2 3.65Å; K35-I41 WeakPolarHBondContact CD-O 3.4Å; K35-I41 HydrophobicContact CG-CG2 3.76Å; K35-I41 PolarHBondContact NZ-O 2.95Å; S39-I41 PolarHBondContact O-N 3.19Å; S39-I41 WeakPolarHBondContact OG-CG2 3.46Å; I41-I68 HydrophobicContact CD1-CD1 3.82Å; I41-I68 HydrophobicContact CG1-CD1 3.79Å; I41-L70 HydrophobicContact CD1-CD1 4.34Å; I41-L70 HydrophobicContact CD1-CD2 3.97Å; I41-L70 HydrophobicContact CG1-CD1 4.19Å; I41-I76 HydrophobicContact CD1-CB 4.2Å; I41-I76 HydrophobicContact CD1-CD1 4.26Å; I41-I76 HydrophobicContact CD1-CG1 4Å; I41-Y109 HydrophobicContact CD1-CD2 4.2Å; I41-Y109 HydrophobicContact CG1-CE2 4.47Å; I41-Y109 HydrophobicContact CG2-CD2 3.83Å; I41-Y109 HydrophobicContact CG2-CE2 3.66Å |
| 42 | V | 95.3 | Very high | 95.2 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 48% | 0.479 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 140 | -178.1 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | I68 Y109 | V42-I68 HydrophobicContact CB-CB 4.44Å; V42-Y109 WeakPolarHBondContact O-CE2 3.44Å; V42-Y109 PolarHBondContact O-OH 3.34Å |
| 43 | D | 94.9 | Very high | 95.2 | Very high | 106 Ų | 106 | 59.5 Ų | 59.5 | 57% | 0.567 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 144.7 | 176.5 | -71.5 | -63.5 | 0 | 0 | 0 | 112.6 | K35 Y109 | K35-D43 WeakPolarHBondContact CD-OD1 3.38Å; K35-D43 WeakPolarHBondContact CE-OD1 3.5Å; K35-D43 IonicContact NZ-OD1 2.77Å; K35-D43 PolarHBondContact NZ-OD1 3.28Å; K35-D43 IonicContact NZ-OD2 2.64Å; K35-D43 PolarHBondContact NZ-OD2 3.37Å; D43-Y109 WeakPolarHBondContact CA-OH 3.42Å |
| 44 | I | 95.9 | Very high | 95.2 | Very high | 16 Ų | 16 | 65 Ų | 65 | 8% | 0.082 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 133.2 | 174.4 | -156.9 | 168.8 | 0 | 0 | 0 | 109.6 | V33 K46 R47 Y49 I64 R67 I68 Y109 | V33-I44 HydrophobicContact CG1-CD1 4.1Å; I44-K46 WeakPolarHBondContact CG1-O 3.21Å; I44-R47 HydrophobicContact CG2-CG 4.32Å; I44-Y49 HydrophobicContact CD1-CE2 3.87Å; I44-Y49 WeakPolarHBondContact CD1-OH 3.31Å; I44-Y49 WeakPolarHBondContact CG1-OH 3.3Å; I44-I64 HydrophobicContact CD1-CD1 3.94Å; I44-I64 HydrophobicContact CD1-CG2 4.13Å; I44-R67 HydrophobicContact CD1-CG 4.22Å; I44-R67 HydrophobicContact CG1-CG 3.93Å; I44-I68 HydrophobicContact CB-CG2 3.83Å; I44-I68 HydrophobicContact CD1-CG2 4.35Å; I44-I68 HydrophobicContact CG1-CG2 3.84Å; I44-Y109 HydrophobicContact CB-CE1 4.16Å; I44-Y109 WeakPolarHBondContact CB-OH 3.49Å; I44-Y109 HydrophobicContact CG2-CE1 3.86Å; I44-Y109 PolarHBondContact N-OH 2.96Å |
| 45 | D | 94 | Very high | 95.3 | Very high | 107 Ų | 107 | 65.6 Ų | 65.6 | 57% | 0.572 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -72.3 | -34.3 | -175.9 | 70.2 | -37.7 | 0 | 0 | 0 | 112.8 | R67 | D45-R67 IonicContact OD1-CZ 3.87Å; D45-R67 IonicContact OD1-NE 3.42Å; D45-R67 PolarHBondContact OD1-NE 2.9Å; D45-R67 IonicContact OD1-NH2 2.75Å; D45-R67 PolarHBondContact OD1-NH2 3.32Å; D45-R67 IonicContact OD2-CZ 3.27Å; D45-R67 IonicContact OD2-NE 3.4Å; D45-R67 IonicContact OD2-NH2 3.54Å; D45-R67 PolarHBondContact OD2-NH2 2.94Å |
| 46 | K | 94.8 | Very high | 95.5 | Very high | 128 Ų | 128 | 64.6 Ų | 64.6 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | trans | -122.7 | 132.7 | 176.2 | -66.2 | -173.1 | -178.8 | -175.7 | 0 | 109.9 | I44 Y49 | I44-K46 WeakPolarHBondContact CG1-O 3.21Å; K46-Y49 WeakPolarHBondContact O-CE2 3.45Å; K46-Y49 VanDerWaalsContact O-CZ 3.25Å; K46-Y49 PolarHBondContact O-OH 3.32Å | ||
| 47 | R | 95.6 | Very high | 95.7 | Very high | 87 Ų | 87 | 64.3 Ų | 64.3 | 33% | 0.328 | 35% | 0.352 | S | S | . | . | trans | -97.8 | -26.6 | -179 | -58.1 | 175.2 | -170.8 | -178.5 | 5 | 113 | M4 I32 V33 E34 I44 Y49 | M4-R47 PolarHBondContact SD-NH1 3.48Å; M4-R47 VanDerWaalsContact SD-NH1 3.4Å; M4-R47 PolarHBondContact SD-NH2 3.04Å; I32-R47 CarbonylContact C-O 3.49Å; I32-R47 WeakPolarHBondContact CA-O 3.4Å; V33-R47 PolarHBondContact N-O 3.41Å; V33-R47 WeakPolarHBondContact O-CA 3.36Å; V33-R47 VanDerWaalsContact O-CB 3.32Å; V33-R47 WeakPolarHBondContact O-CB 3.36Å; V33-R47 WeakPolarHBondContact O-CG 3.43Å; E34-R47 HydrophobicContact CG-CG 4.5Å; E34-R47 IonicContact OE1-NH1 3.3Å; E34-R47 PolarHBondContact OE1-NH1 2.92Å; I44-R47 HydrophobicContact CG2-CG 4.32Å; R47-Y49 WeakPolarHBondContact O-CD2 3.41Å | ||
| 48 | K | 97.1 | Very high | 96.1 | Very high | 98 Ų | 98 | 61.1 Ų | 61.1 | 43% | 0.426 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.9 | -178.4 | -57.1 | -161.7 | -66.4 | -174.2 | 0 | 111 | F5 E17 I32 | F5-K48 HydrophobicContact CD2-CD 4.44Å; F5-K48 HydrophobicContact CE2-CD 3.66Å; F5-K48 HydrophobicContact CE2-CG 4.3Å; F5-K48 HydrophobicContact CZ-CD 4.01Å; E17-K48 IonicContact OE1-NZ 2.69Å; E17-K48 PolarHBondContact OE1-NZ 3.01Å; E17-K48 IonicContact OE2-NZ 3.54Å; I32-K48 HydrophobicContact CD1-CB 4.38Å; I32-K48 HydrophobicContact CD1-CD 4.12Å; I32-K48 HydrophobicContact CD1-CG 3.68Å |
| 49 | Y | 98.1 | Very high | 96.6 | Very high | 42 Ų | 42 | 62.7 Ų | 62.7 | 17% | 0.165 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 148.3 | 177.9 | -67.7 | -92.5 | 0 | 0 | 0 | 111 | P30 V31 V33 I44 K46 R47 I64 | P30-Y49 WeakPolarHBondContact CA-O 3.05Å; V31-Y49 PolarHBondContact N-O 3.21Å; V31-Y49 PolarHBondContact O-N 3.32Å; V33-Y49 HydrophobicContact CB-CD2 4.04Å; V33-Y49 HydrophobicContact CB-CE2 3.94Å; V33-Y49 HydrophobicContact CG2-CD2 3.54Å; V33-Y49 HydrophobicContact CG2-CE2 3.89Å; V33-Y49 HydrophobicContact CG2-CG 4.48Å; I44-Y49 HydrophobicContact CD1-CE2 3.87Å; I44-Y49 WeakPolarHBondContact CD1-OH 3.31Å; I44-Y49 WeakPolarHBondContact CG1-OH 3.3Å; K46-Y49 WeakPolarHBondContact O-CE2 3.45Å; K46-Y49 VanDerWaalsContact O-CZ 3.25Å; K46-Y49 PolarHBondContact O-OH 3.32Å; R47-Y49 WeakPolarHBondContact O-CD2 3.41Å; Y49-I64 HydrophobicContact CE1-CD1 4.42Å; Y49-I64 HydrophobicContact CE2-CD1 4.23Å |
| 50 | L | 98.1 | Very high | 96.8 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 99.9 | 170.2 | -171.4 | 67.7 | 0 | 0 | 0 | 108.2 | I21 Y25 R28 P30 | I21-L50 HydrophobicContact CD1-CD2 4.23Å; I21-L50 HydrophobicContact CG1-CD1 3.86Å; I21-L50 HydrophobicContact CG1-CD2 4.05Å; Y25-L50 HydrophobicContact CD1-CD2 4.5Å; Y25-L50 HydrophobicContact CD2-CD2 3.41Å; Y25-L50 VanDerWaalsContact CD2-CD2 3.41Å; Y25-L50 HydrophobicContact CE2-CD2 3.97Å; Y25-L50 HydrophobicContact CG-CD2 3.7Å; R28-L50 HydrophobicContact CB-CD1 3.68Å; R28-L50 HydrophobicContact CB-CD2 4.27Å; R28-L50 HydrophobicContact CB-CG 3.64Å; R28-L50 HydrophobicContact CG-CG 4.29Å; R28-L50 PolarHBondContact NH1-O 2.9Å; P30-L50 HydrophobicContact CB-CD1 4.47Å |
| 51 | V | 98.2 | Very high | 97.1 | Very high | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135.6 | -163.1 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | R28 V29 V31 S53 I55 F60 M91 | R28-V51 CarbonylContact C-O 3.34Å; R28-V51 WeakPolarHBondContact CA-O 3.12Å; R28-V51 WeakPolarHBondContact CB-O 3.41Å; V29-V51 HydrophobicContact CG2-CB 3.96Å; V29-V51 PolarHBondContact N-O 2.93Å; V29-V51 PolarHBondContact O-N 3.31Å; V31-V51 HydrophobicContact CB-CG2 4.21Å; V31-V51 HydrophobicContact CG2-CB 4.27Å; V31-V51 HydrophobicContact CG2-CG2 3.71Å; V51-S53 PolarHBondContact O-N 3.48Å; V51-I55 HydrophobicContact CG1-CD1 3.36Å; V51-I55 HydrophobicContact CG1-CG1 3.75Å; V51-F60 HydrophobicContact CG1-CD2 3.88Å; V51-F60 HydrophobicContact CG1-CE2 4.27Å; V51-F60 HydrophobicContact CG2-CD2 3.95Å; V51-F60 HydrophobicContact CG2-CE2 3.47Å; V51-F60 VanDerWaalsContact CG2-CE2 3.47Å; V51-F60 HydrophobicContact CG2-CZ 4.21Å; V51-M91 HydrophobicContact CG1-CB 4.3Å; V51-M91 HydrophobicContact CG1-CG 4.01Å |
| 52 | P | 98.5 | Very high | 97.2 | Very high | 40 Ų | 40 | 62.8 Ų | 62.8 | 26% | 0.26 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 137.7 | 170.9 | -22.9 | 33.8 | 0 | 0 | 0 | 111.4 | D54 I55 | P52-D54 VanDerWaalsContact C-N 3.26Å; P52-D54 WeakPolarHBondContact CB-OD1 3.4Å; P52-D54 PolarHBondContact O-N 3.42Å; P52-I55 HydrophobicContact CB-CG2 4.18Å; P52-I55 HydrophobicContact CG-CG2 4.49Å; P52-I55 WeakPolarHBondContact O-CG1 3.04Å |
| 53 | S | 98.4 | Very high | 97.3 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -21.4 | -176.3 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | D27 V51 T90 G92 | D27-S53 VanDerWaalsContact O-CB 3.28Å; D27-S53 WeakPolarHBondContact O-CB 3.41Å; D27-S53 PolarHBondContact O-N 3.21Å; D27-S53 PolarHBondContact O-OG 3.3Å; V51-S53 PolarHBondContact O-N 3.48Å; S53-T90 WeakPolarHBondContact O-CB 3.49Å; S53-G92 WeakPolarHBondContact O-CA 3.46Å; S53-G92 PolarHBondContact O-N 2.98Å |
| 54 | D | 98.1 | Very high | 97.4 | Very high | 115 Ų | 115 | 57.2 Ų | 57.2 | 62% | 0.615 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -19.5 | -174.1 | 62.7 | -31.7 | 0 | 0 | 0 | 114 | P52 | P52-D54 VanDerWaalsContact C-N 3.26Å; P52-D54 WeakPolarHBondContact CB-OD1 3.4Å; P52-D54 PolarHBondContact O-N 3.42Å |
| 55 | I | 98.4 | Very high | 97.5 | Very high | 25 Ų | 25 | 59.3 Ų | 59.3 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -70 | 148.6 | 177.4 | 71.7 | 165.3 | 0 | 0 | 0 | 111.1 | V51 P52 Q59 F60 I63 T90 M91 | V51-I55 HydrophobicContact CG1-CD1 3.36Å; V51-I55 HydrophobicContact CG1-CG1 3.75Å; P52-I55 HydrophobicContact CB-CG2 4.18Å; P52-I55 HydrophobicContact CG-CG2 4.49Å; P52-I55 WeakPolarHBondContact O-CG1 3.04Å; I55-Q59 VanDerWaalsContact CA-OE1 3.26Å; I55-Q59 HydrophobicContact CB-CB 4.18Å; I55-F60 HydrophobicContact CD1-CB 4.11Å; I55-F60 HydrophobicContact CD1-CD2 4.45Å; I55-I63 HydrophobicContact CD1-CD1 3.76Å; I55-T90 CarbonylContact O-C 3.46Å; I55-T90 VanDerWaalsContact O-CA 3.3Å; I55-T90 WeakPolarHBondContact O-CA 3.49Å; I55-M91 HydrophobicContact CD1-CG 4.41Å; I55-M91 HydrophobicContact CG1-CB 4.44Å; I55-M91 HydrophobicContact CG1-CG 3.85Å; I55-M91 PolarHBondContact O-N 3.15Å |
| 56 | T | 98.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 22% | 0.221 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -79.5 | 160.4 | 177.8 | 65.5 | 0 | 0 | 0 | 0 | 112.4 | A58 Q59 F60 L89 | T56-A58 PolarHBondContact O-N 3.06Å; T56-Q59 PolarHBondContact O-N 2.9Å; T56-Q59 VanDerWaalsContact O-N 3.1Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.32Å; T56-Q59 PolarHBondContact OG1-N 3.43Å; T56-Q59 PolarHBondContact OG1-OE1 2.7Å; T56-F60 PolarHBondContact O-N 3.2Å; T56-L89 CarbonylContact C-O 3.46Å; T56-L89 VanDerWaalsContact CA-O 3.25Å; T56-L89 WeakPolarHBondContact CA-O 3.47Å |
| 57 | V | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53.8 | -38.9 | 169.5 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | F60 M61 L78 P85 L89 M91 L94 | V57-F60 PolarHBondContact O-N 2.9Å; V57-M61 WeakPolarHBondContact O-CB 3.25Å; V57-M61 PolarHBondContact O-N 2.82Å; V57-L78 HydrophobicContact CG1-CD1 4.45Å; V57-P85 HydrophobicContact CG1-CB 4.46Å; V57-P85 HydrophobicContact CG1-CG 3.88Å; V57-P85 HydrophobicContact CG2-CB 4.37Å; V57-P85 HydrophobicContact CG2-CG 4.46Å; V57-L89 HydrophobicContact CG2-CB 4.31Å; V57-L89 WeakPolarHBondContact CG2-O 3.47Å; V57-L89 PolarHBondContact N-O 3.1Å; V57-M91 HydrophobicContact CG2-SD 4.11Å; V57-L94 HydrophobicContact CG2-CD2 3.72Å |
| 58 | A | 98.2 | Very high | 97.8 | Very high | 41 Ų | 41 | 55.8 Ų | 55.8 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | T56 M61 W62 S87 | T56-A58 PolarHBondContact O-N 3.06Å; A58-M61 PolarHBondContact O-N 3.02Å; A58-W62 PolarHBondContact O-N 2.75Å; A58-S87 WeakPolarHBondContact CB-O 3.48Å; A58-S87 PolarHBondContact N-O 3.3Å |
| 59 | Q | 98.4 | Very high | 97.7 | Very high | 101 Ų | 101 | 59.2 Ų | 59.2 | 47% | 0.472 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 175.8 | -72.3 | 169.1 | -39.3 | 0 | 0 | 111.1 | I55 T56 W62 I63 | I55-Q59 VanDerWaalsContact CA-OE1 3.26Å; I55-Q59 HydrophobicContact CB-CB 4.18Å; T56-Q59 PolarHBondContact O-N 2.9Å; T56-Q59 VanDerWaalsContact O-N 3.1Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.32Å; T56-Q59 PolarHBondContact OG1-N 3.43Å; T56-Q59 PolarHBondContact OG1-OE1 2.7Å; Q59-W62 WeakPolarHBondContact O-CB 3.47Å; Q59-W62 PolarHBondContact O-N 3.27Å; Q59-I63 WeakPolarHBondContact O-CG1 3.31Å; Q59-I63 PolarHBondContact O-N 2.82Å |
| 60 | F | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.8 | -176.2 | -118.6 | 0 | 0 | 0 | 112.3 | V31 V33 V51 I55 T56 V57 W62 I63 I64 L78 M91 V107 | V31-F60 HydrophobicContact CB-CZ 4.44Å; V31-F60 HydrophobicContact CG1-CE1 4.19Å; V31-F60 HydrophobicContact CG1-CZ 3.94Å; V33-F60 HydrophobicContact CG2-CE1 4.17Å; V33-F60 HydrophobicContact CG2-CZ 3.65Å; V51-F60 HydrophobicContact CG1-CD2 3.88Å; V51-F60 HydrophobicContact CG1-CE2 4.27Å; V51-F60 HydrophobicContact CG2-CD2 3.95Å; V51-F60 HydrophobicContact CG2-CE2 3.47Å; V51-F60 VanDerWaalsContact CG2-CE2 3.47Å; V51-F60 HydrophobicContact CG2-CZ 4.21Å; I55-F60 HydrophobicContact CD1-CB 4.11Å; I55-F60 HydrophobicContact CD1-CD2 4.45Å; T56-F60 PolarHBondContact O-N 3.2Å; V57-F60 PolarHBondContact O-N 2.9Å; F60-W62 VanDerWaalsContact C-N 3.25Å; F60-W62 PolarHBondContact O-N 2.77Å; F60-I63 WeakPolarHBondContact O-CA 3.45Å; F60-I63 WeakPolarHBondContact O-CB 3.22Å; F60-I63 PolarHBondContact O-N 3.09Å; F60-I64 HydrophobicContact CD1-CG1 4.47Å; F60-I64 HydrophobicContact CE1-CD1 4.4Å; F60-I64 HydrophobicContact CE1-CG1 4.11Å; F60-I64 HydrophobicContact CE2-CD1 3.99Å; F60-I64 HydrophobicContact CE2-CG1 4.28Å; F60-I64 HydrophobicContact CZ-CD1 3.83Å; F60-I64 HydrophobicContact CZ-CG1 4.02Å; F60-I64 WeakPolarHBondContact O-CG1 3.44Å; F60-I64 PolarHBondContact O-N 3.34Å; F60-L78 HydrophobicContact CD1-CD1 3.82Å; F60-L78 HydrophobicContact CE1-CD1 4.36Å; F60-M91 HydrophobicContact CB-CG 4.04Å; F60-M91 HydrophobicContact CB-SD 3.72Å; F60-M91 HydrophobicContact CD1-CE 3.66Å; F60-M91 HydrophobicContact CD1-SD 3.79Å; F60-M91 HydrophobicContact CD2-CE 4.46Å; F60-M91 HydrophobicContact CE1-CE 3.91Å; F60-M91 HydrophobicContact CG-CE 3.96Å; F60-M91 HydrophobicContact CG-CG 4.37Å; F60-M91 HydrophobicContact CG-SD 3.82Å; F60-M91 HydrophobicContact CZ-CE 4.4Å; F60-V107 HydrophobicContact CE1-CG1 4.34Å; F60-V107 HydrophobicContact CE1-CG2 4.36Å |
| 61 | M | 97.4 | Very high | 97.5 | Very high | 42 Ų | 42 | 58.2 Ų | 58.2 | 21% | 0.207 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.7 | -38.7 | 173.6 | 178.9 | 168 | 30.3 | 0 | 0 | 112 | V57 A58 I64 R65 I76 L78 | V57-M61 WeakPolarHBondContact O-CB 3.25Å; V57-M61 PolarHBondContact O-N 2.82Å; A58-M61 PolarHBondContact O-N 3.02Å; M61-I64 PolarHBondContact O-N 2.89Å; M61-R65 WeakPolarHBondContact O-CB 3.48Å; M61-R65 PolarHBondContact O-N 2.82Å; M61-I76 HydrophobicContact CG-CG2 3.9Å; M61-I76 HydrophobicContact SD-CG2 4.22Å; M61-L78 HydrophobicContact CB-CD1 3.72Å; M61-L78 HydrophobicContact CB-CG 4.11Å; M61-L78 HydrophobicContact CG-CD1 4.36Å; M61-L78 HydrophobicContact CG-CG 4.2Å; M61-L78 HydrophobicContact SD-CG 4.45Å |
| 62 | W | 97 | Very high | 97.2 | Very high | 156 Ų | 156 | 63 Ų | 63 | 59% | 0.591 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.9 | -39.4 | 173.6 | -177.2 | 92.1 | 0 | 0 | 0 | 112.7 | A58 Q59 F60 R65 K66 | A58-W62 PolarHBondContact O-N 2.75Å; Q59-W62 WeakPolarHBondContact O-CB 3.47Å; Q59-W62 PolarHBondContact O-N 3.27Å; F60-W62 VanDerWaalsContact C-N 3.25Å; F60-W62 PolarHBondContact O-N 2.77Å; W62-R65 WeakPolarHBondContact O-CB 3.49Å; W62-R65 PolarHBondContact O-N 2.9Å; W62-K66 HydrophobicContact CD2-CG 4.07Å; W62-K66 HydrophobicContact CE3-CG 4.19Å; W62-K66 HydrophobicContact CH2-CG 4Å; W62-K66 HydrophobicContact CZ2-CD 4.21Å; W62-K66 HydrophobicContact CZ2-CG 3.86Å; W62-K66 HydrophobicContact CZ3-CG 4.15Å; W62-K66 WeakPolarHBondContact O-CG 3.41Å; W62-K66 PolarHBondContact O-N 2.76Å |
| 63 | I | 97.1 | Very high | 97 | Very high | 68 Ų | 68 | 68.1 Ų | 68.1 | 35% | 0.349 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 174.3 | -66.7 | 167.4 | 0 | 0 | 0 | 110.4 | I55 Q59 F60 R65 K66 R67 | I55-I63 HydrophobicContact CD1-CD1 3.76Å; Q59-I63 WeakPolarHBondContact O-CG1 3.31Å; Q59-I63 PolarHBondContact O-N 2.82Å; F60-I63 WeakPolarHBondContact O-CA 3.45Å; F60-I63 WeakPolarHBondContact O-CB 3.22Å; F60-I63 PolarHBondContact O-N 3.09Å; I63-R65 VanDerWaalsContact C-N 3.35Å; I63-R65 PolarHBondContact O-N 3.48Å; I63-K66 PolarHBondContact O-N 3.07Å; I63-R67 PolarHBondContact O-N 3.4Å |
| 64 | I | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 177.7 | -61.1 | -51.5 | 0 | 0 | 0 | 110.4 | V33 I44 Y49 F60 M61 K66 R67 I68 I76 | V33-I64 HydrophobicContact CG1-CD1 4.12Å; V33-I64 HydrophobicContact CG2-CD1 4.12Å; I44-I64 HydrophobicContact CD1-CD1 3.94Å; I44-I64 HydrophobicContact CD1-CG2 4.13Å; Y49-I64 HydrophobicContact CE1-CD1 4.42Å; Y49-I64 HydrophobicContact CE2-CD1 4.23Å; F60-I64 HydrophobicContact CD1-CG1 4.47Å; F60-I64 HydrophobicContact CE1-CD1 4.4Å; F60-I64 HydrophobicContact CE1-CG1 4.11Å; F60-I64 HydrophobicContact CE2-CD1 3.99Å; F60-I64 HydrophobicContact CE2-CG1 4.28Å; F60-I64 HydrophobicContact CZ-CD1 3.83Å; F60-I64 HydrophobicContact CZ-CG1 4.02Å; F60-I64 WeakPolarHBondContact O-CG1 3.44Å; F60-I64 PolarHBondContact O-N 3.34Å; M61-I64 PolarHBondContact O-N 2.89Å; I64-K66 VanDerWaalsContact C-N 3.32Å; I64-K66 PolarHBondContact O-N 2.62Å; I64-R67 WeakPolarHBondContact O-CB 3.47Å; I64-R67 PolarHBondContact O-N 2.75Å; I64-I68 WeakPolarHBondContact O-CG1 3.4Å; I64-I68 PolarHBondContact O-N 3.18Å; I64-I76 HydrophobicContact CB-CD1 4.48Å; I64-I76 HydrophobicContact CG2-CD1 3.88Å |
| 65 | R | 96.8 | Very high | 96.6 | Very high | 60 Ų | 60 | 69 Ų | 69 | 23% | 0.226 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54 | -47.2 | 176.1 | -168.6 | -173.2 | -159 | 127.1 | 3 | 112.5 | M61 W62 I63 R67 Q69 L70 P71 S72 K74 I76 | M61-R65 WeakPolarHBondContact O-CB 3.48Å; M61-R65 PolarHBondContact O-N 2.82Å; W62-R65 WeakPolarHBondContact O-CB 3.49Å; W62-R65 PolarHBondContact O-N 2.9Å; I63-R65 VanDerWaalsContact C-N 3.35Å; I63-R65 PolarHBondContact O-N 3.48Å; R65-R67 VanDerWaalsContact C-N 3.34Å; R65-Q69 PolarHBondContact O-N 3.34Å; R65-L70 HydrophobicContact CG-CB 3.83Å; R65-L70 HydrophobicContact CG-CD2 4.22Å; R65-L70 PolarHBondContact O-N 3.45Å; R65-P71 PolarHBondContact NE-O 3.22Å; R65-P71 PolarHBondContact NH2-O 3.1Å; R65-S72 VanDerWaalsContact NH2-CA 3.27Å; R65-S72 PolarHBondContact NH2-O 3.28Å; R65-K74 PolarHBondContact NH2-O 3.04Å; R65-I76 HydrophobicContact CB-CG2 4.47Å; R65-I76 HydrophobicContact CG-CG2 4.46Å |
| 66 | K | 96.5 | Very high | 96.5 | Very high | 132 Ų | 132 | 68.3 Ų | 68.3 | 57% | 0.574 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.9 | -39 | 176.4 | -76.8 | -68.8 | -172.2 | 179.9 | 0 | 111.7 | W62 I63 I64 Q69 | W62-K66 HydrophobicContact CD2-CG 4.07Å; W62-K66 HydrophobicContact CE3-CG 4.19Å; W62-K66 HydrophobicContact CH2-CG 4Å; W62-K66 HydrophobicContact CZ2-CD 4.21Å; W62-K66 HydrophobicContact CZ2-CG 3.86Å; W62-K66 HydrophobicContact CZ3-CG 4.15Å; W62-K66 WeakPolarHBondContact O-CG 3.41Å; W62-K66 PolarHBondContact O-N 2.76Å; I63-K66 PolarHBondContact O-N 3.07Å; I64-K66 VanDerWaalsContact C-N 3.32Å; I64-K66 PolarHBondContact O-N 2.62Å; K66-Q69 PolarHBondContact O-N 3.11Å; K66-Q69 VanDerWaalsContact O-N 3.15Å |
| 67 | R | 97.1 | Very high | 96.3 | Very high | 106 Ų | 106 | 69.5 Ų | 69.5 | 40% | 0.4 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | -179.6 | -171.4 | 66 | 177.1 | -178.6 | 5.1 | 112.5 | I44 D45 I63 I64 R65 Q69 | I44-R67 HydrophobicContact CD1-CG 4.22Å; I44-R67 HydrophobicContact CG1-CG 3.93Å; D45-R67 IonicContact OD1-CZ 3.87Å; D45-R67 IonicContact OD1-NE 3.42Å; D45-R67 PolarHBondContact OD1-NE 2.9Å; D45-R67 IonicContact OD1-NH2 2.75Å; D45-R67 PolarHBondContact OD1-NH2 3.32Å; D45-R67 IonicContact OD2-CZ 3.27Å; D45-R67 IonicContact OD2-NE 3.4Å; D45-R67 IonicContact OD2-NH2 3.54Å; D45-R67 PolarHBondContact OD2-NH2 2.94Å; I63-R67 PolarHBondContact O-N 3.4Å; I64-R67 WeakPolarHBondContact O-CB 3.47Å; I64-R67 PolarHBondContact O-N 2.75Å; R65-R67 VanDerWaalsContact C-N 3.34Å; R67-Q69 PolarHBondContact O-N 3.03Å |
| 68 | I | 96.8 | Very high | 96.2 | Very high | 11 Ų | 11 | 69.6 Ų | 69.6 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 6.9 | 177.6 | 64.3 | 162.9 | 0 | 0 | 0 | 113.1 | I41 V42 I44 I64 L70 I76 Y109 | I41-I68 HydrophobicContact CD1-CD1 3.82Å; I41-I68 HydrophobicContact CG1-CD1 3.79Å; V42-I68 HydrophobicContact CB-CB 4.44Å; I44-I68 HydrophobicContact CB-CG2 3.83Å; I44-I68 HydrophobicContact CD1-CG2 4.35Å; I44-I68 HydrophobicContact CG1-CG2 3.84Å; I64-I68 WeakPolarHBondContact O-CG1 3.4Å; I64-I68 PolarHBondContact O-N 3.18Å; I68-L70 HydrophobicContact CD1-CB 3.79Å; I68-L70 HydrophobicContact CD1-CD1 4.36Å; I68-L70 HydrophobicContact CD1-CD2 4.3Å; I68-L70 HydrophobicContact CD1-CG 4.39Å; I68-L70 HydrophobicContact CG1-CB 3.81Å; I68-L70 PolarHBondContact O-N 3.06Å; I68-I76 HydrophobicContact CD1-CD1 4.17Å; I68-Y109 HydrophobicContact CD1-CE2 4.44Å |
| 69 | Q | 96.5 | Very high | 96.1 | Very high | 170 Ų | 170 | 67.8 Ų | 67.8 | 79% | 0.794 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 37.2 | -179.3 | -55.5 | 178.1 | 43.4 | 0 | 0 | 113 | R65 K66 R67 P71 | R65-Q69 PolarHBondContact O-N 3.34Å; K66-Q69 PolarHBondContact O-N 3.11Å; K66-Q69 VanDerWaalsContact O-N 3.15Å; R67-Q69 PolarHBondContact O-N 3.03Å; Q69-P71 WeakPolarHBondContact O-CD 3.25Å |
| 70 | L | 96.2 | Very high | 96 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | trans | -76 | 124.7 | -175.9 | -171.6 | 77 | 0 | 0 | 0 | 110.7 | I41 R65 I68 K74 I76 | I41-L70 HydrophobicContact CD1-CD1 4.34Å; I41-L70 HydrophobicContact CD1-CD2 3.97Å; I41-L70 HydrophobicContact CG1-CD1 4.19Å; R65-L70 HydrophobicContact CG-CB 3.83Å; R65-L70 HydrophobicContact CG-CD2 4.22Å; R65-L70 PolarHBondContact O-N 3.45Å; I68-L70 HydrophobicContact CD1-CB 3.79Å; I68-L70 HydrophobicContact CD1-CD1 4.36Å; I68-L70 HydrophobicContact CD1-CD2 4.3Å; I68-L70 HydrophobicContact CD1-CG 4.39Å; I68-L70 HydrophobicContact CG1-CB 3.81Å; I68-L70 PolarHBondContact O-N 3.06Å; L70-K74 HydrophobicContact CD1-CB 3.67Å; L70-K74 HydrophobicContact CD1-CD 3.77Å; L70-K74 HydrophobicContact CD1-CG 4.31Å; L70-K74 HydrophobicContact CD2-CB 4.1Å; L70-K74 HydrophobicContact CG-CB 3.81Å; L70-I76 HydrophobicContact CD2-CB 3.8Å; L70-I76 HydrophobicContact CD2-CG2 4.24Å | ||
| 71 | P | 94.7 | Very high | 95.6 | Very high | 53 Ų | 53 | 68.9 Ų | 68.9 | 34% | 0.344 | 34% | 0.336 | S | S | . | . | trans | -57.9 | 157.5 | 176.7 | -25.2 | 35.1 | 0 | 0 | 0 | 113.6 | R65 Q69 E73 K74 | R65-P71 PolarHBondContact NE-O 3.22Å; R65-P71 PolarHBondContact NH2-O 3.1Å; Q69-P71 WeakPolarHBondContact O-CD 3.25Å; P71-E73 HydrophobicContact CB-CG 4.22Å; P71-E73 WeakPolarHBondContact CB-OE1 3.49Å; P71-E73 WeakPolarHBondContact CB-OE2 3.3Å; P71-E73 PolarHBondContact O-N 2.89Å; P71-K74 PolarHBondContact O-N 2.85Å | ||
| 72 | S | 93.1 | Very high | 95.1 | Very high | 107 Ų | 107 | 72.8 Ų | 72.8 | 75% | 0.748 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -27.1 | -177.8 | 39.1 | 0 | 0 | 0 | 0 | 113.9 | R65 | R65-S72 VanDerWaalsContact NH2-CA 3.27Å; R65-S72 PolarHBondContact NH2-O 3.28Å |
| 73 | E | 93.4 | Very high | 94.9 | Very high | 148 Ų | 148 | 69.3 Ų | 69.3 | 69% | 0.692 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -20.5 | -178.3 | 63.3 | -85.7 | -164.7 | 0 | 0 | 113.4 | P71 | P71-E73 HydrophobicContact CB-CG 4.22Å; P71-E73 WeakPolarHBondContact CB-OE1 3.49Å; P71-E73 WeakPolarHBondContact CB-OE2 3.3Å; P71-E73 PolarHBondContact O-N 2.89Å |
| 74 | K | 94.2 | Very high | 94.8 | Very high | 123 Ų | 123 | 70 Ų | 70 | 54% | 0.535 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -88.8 | 132.4 | 178.3 | -68.8 | -164 | 176.2 | -173.3 | 0 | 111.1 | R65 L70 P71 | R65-K74 PolarHBondContact NH2-O 3.04Å; L70-K74 HydrophobicContact CD1-CB 3.67Å; L70-K74 HydrophobicContact CD1-CD 3.77Å; L70-K74 HydrophobicContact CD1-CG 4.31Å; L70-K74 HydrophobicContact CD2-CB 4.1Å; L70-K74 HydrophobicContact CG-CB 3.81Å; P71-K74 PolarHBondContact O-N 2.85Å |
| 75 | A | 93.6 | Very high | 94.7 | Very high | 50 Ų | 50 | 70.7 Ų | 70.7 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | trans | -71.8 | 153 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F77 | A75-F77 HydrophobicContact CB-CD2 4.44Å; A75-F77 HydrophobicContact CB-CE2 3.59Å; A75-F77 HydrophobicContact CB-CZ 4.09Å | ||
| 76 | I | 95.9 | Very high | 94.7 | Very high | 10 Ų | 10 | 74.8 Ų | 74.8 | 5% | 0.051 | 38% | 0.381 | C | S | . | . | trans | -141.3 | 135.4 | 168.8 | -175.5 | 170.8 | 0 | 0 | 0 | 108.1 | I41 M61 I64 R65 I68 L70 Y109 S110 | I41-I76 HydrophobicContact CD1-CB 4.2Å; I41-I76 HydrophobicContact CD1-CD1 4.26Å; I41-I76 HydrophobicContact CD1-CG1 4Å; M61-I76 HydrophobicContact CG-CG2 3.9Å; M61-I76 HydrophobicContact SD-CG2 4.22Å; I64-I76 HydrophobicContact CB-CD1 4.48Å; I64-I76 HydrophobicContact CG2-CD1 3.88Å; R65-I76 HydrophobicContact CB-CG2 4.47Å; R65-I76 HydrophobicContact CG-CG2 4.46Å; I68-I76 HydrophobicContact CD1-CD1 4.17Å; L70-I76 HydrophobicContact CD2-CB 3.8Å; L70-I76 HydrophobicContact CD2-CG2 4.24Å; I76-Y109 HydrophobicContact CD1-CD2 4.46Å; I76-S110 WeakPolarHBondContact CA-O 3.49Å | ||
| 77 | F | 95.6 | Very high | 94.7 | Very high | 61 Ų | 61 | 71.6 Ų | 71.6 | 27% | 0.268 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 141.6 | 176.6 | -60.1 | -87 | 0 | 0 | 0 | 109 | A75 F79 Y109 S110 E112 N113 | A75-F77 HydrophobicContact CB-CD2 4.44Å; A75-F77 HydrophobicContact CB-CE2 3.59Å; A75-F77 HydrophobicContact CB-CZ 4.09Å; F77-F79 HydrophobicContact CB-CE2 3.69Å; F77-F79 HydrophobicContact CB-CZ 3.87Å; F77-Y109 WeakPolarHBondContact O-CA 3.34Å; F77-S110 PolarHBondContact N-O 3.18Å; F77-S110 PolarHBondContact O-N 2.9Å; F77-E112 VanDerWaalsContact CD2-O 3.23Å; F77-E112 WeakPolarHBondContact CD2-O 3.23Å; F77-N113 HydrophobicContact CD1-CB 3.86Å; F77-N113 HydrophobicContact CD2-CB 4.05Å; F77-N113 HydrophobicContact CE1-CB 3.58Å; F77-N113 HydrophobicContact CE2-CB 3.77Å; F77-N113 HydrophobicContact CG-CB 4.09Å; F77-N113 HydrophobicContact CZ-CB 3.54Å |
| 78 | L | 96.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.026 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 145.5 | 171.3 | -59.6 | -173.7 | 0 | 0 | 0 | 109.3 | V57 F60 M61 P85 V107 A108 | V57-L78 HydrophobicContact CG1-CD1 4.45Å; F60-L78 HydrophobicContact CD1-CD1 3.82Å; F60-L78 HydrophobicContact CE1-CD1 4.36Å; M61-L78 HydrophobicContact CB-CD1 3.72Å; M61-L78 HydrophobicContact CB-CG 4.11Å; M61-L78 HydrophobicContact CG-CD1 4.36Å; M61-L78 HydrophobicContact CG-CG 4.2Å; M61-L78 HydrophobicContact SD-CG 4.45Å; L78-P85 WeakPolarHBondContact O-CD 3.49Å; L78-V107 HydrophobicContact CB-CG1 4Å; L78-V107 HydrophobicContact CD1-CG1 4.23Å; L78-V107 HydrophobicContact CD2-CG1 4.06Å; L78-V107 HydrophobicContact CG-CG1 4.33Å; L78-A108 CarbonylContact C-O 3.55Å; L78-A108 VanDerWaalsContact CA-O 3.29Å; L78-A108 WeakPolarHBondContact CA-O 3.33Å |
| 79 | F | 95.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 72 Ų | 72 | 1% | 0.013 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.6 | 178.2 | -58.8 | -91.3 | 0 | 0 | 0 | 110.5 | V36 F77 T83 V84 V107 A108 F115 | V36-F79 HydrophobicContact CG2-CD2 4.4Å; F77-F79 HydrophobicContact CB-CE2 3.69Å; F77-F79 HydrophobicContact CB-CZ 3.87Å; F79-T83 CarbonylContact C-O 3.54Å; F79-T83 VanDerWaalsContact CA-O 3.24Å; F79-T83 WeakPolarHBondContact CA-O 3.41Å; F79-V84 HydrophobicContact CD1-CG2 3.95Å; F79-V84 HydrophobicContact CE1-CG2 3.66Å; F79-V84 HydrophobicContact CZ-CG2 4.34Å; F79-V107 WeakPolarHBondContact O-CA 3.29Å; F79-A108 HydrophobicContact CB-CB 4.36Å; F79-A108 PolarHBondContact N-O 2.84Å; F79-A108 PolarHBondContact O-N 3.42Å; F79-F115 HydrophobicContact CB-CD2 4.48Å; F79-F115 HydrophobicContact CD1-CD2 4.2Å; F79-F115 HydrophobicContact CD2-CD2 4.41Å; F79-F115 HydrophobicContact CE1-CB 4.4Å; F79-F115 HydrophobicContact CG-CD2 4.11Å |
| 80 | V | 95.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.03 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -126.8 | 125.7 | 168.8 | -179 | 0 | 0 | 0 | 0 | 106.9 | K82 T83 P85 L94 E98 L105 V107 | V80-K82 VanDerWaalsContact C-N 3.25Å; V80-K82 PolarHBondContact O-N 2.93Å; V80-T83 PolarHBondContact N-O 2.98Å; V80-T83 PolarHBondContact O-N 3.19Å; V80-T83 PolarHBondContact O-OG1 3.42Å; V80-P85 HydrophobicContact CG2-CG 4.23Å; V80-L94 HydrophobicContact CG1-CD1 4.46Å; V80-L94 HydrophobicContact CG2-CD1 4.39Å; V80-L94 HydrophobicContact CG2-CD2 4.09Å; V80-E98 HydrophobicContact CG1-CB 3.48Å; V80-E98 VanDerWaalsContact CG1-CB 3.48Å; V80-E98 HydrophobicContact CG1-CG 3.8Å; V80-L105 HydrophobicContact CG1-CD1 4.02Å; V80-V107 HydrophobicContact CG2-CG2 3.92Å |
| 81 | D | 90.9 | Very high | 95 | Very high | 121 Ų | 121 | 64.8 Ų | 64.8 | 65% | 0.647 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.1 | 49.6 | -168.9 | -166.4 | 31.5 | 0 | 0 | 0 | 113.8 | T83 | D81-T83 PolarHBondContact O-N 3.17Š|
| 82 | K | 87 | Confident | 95.2 | Very high | 124 Ų | 124 | 63 Ų | 63 | 54% | 0.539 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 4.8 | -178.9 | -46.7 | 171.4 | -173.8 | 169.4 | 0 | 115.7 | V80 F115 | V80-K82 VanDerWaalsContact C-N 3.25Å; V80-K82 PolarHBondContact O-N 2.93Å; K82-F115 HydrophobicContact CB-CD1 4.36Å; K82-F115 HydrophobicContact CB-CG 4.35Å; K82-F115 HydrophobicContact CG-CD1 4.12Å; K82-F115 HydrophobicContact CG-CE1 4.24Å |
| 83 | T | 91.9 | Very high | 95.5 | Very high | 83 Ų | 83 | 63 Ų | 63 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -108.5 | 150.6 | 176.7 | 67.8 | 0 | 0 | 0 | 0 | 111.1 | F79 V80 D81 P85 | F79-T83 CarbonylContact C-O 3.54Å; F79-T83 VanDerWaalsContact CA-O 3.24Å; F79-T83 WeakPolarHBondContact CA-O 3.41Å; V80-T83 PolarHBondContact N-O 2.98Å; V80-T83 PolarHBondContact O-N 3.19Å; V80-T83 PolarHBondContact O-OG1 3.42Å; D81-T83 PolarHBondContact O-N 3.17Å; T83-P85 WeakPolarHBondContact O-CD 3.42Å |
| 84 | V | 94.5 | Very high | 95.7 | Very high | 83 Ų | 83 | 56.3 Ų | 56.3 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | trans | -81.5 | 114 | 173 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | F79 | F79-V84 HydrophobicContact CD1-CG2 3.95Å; F79-V84 HydrophobicContact CE1-CG2 3.66Å; F79-V84 HydrophobicContact CZ-CG2 4.34Å | ||
| 85 | P | 96.1 | Very high | 95.9 | Very high | 14 Ų | 14 | 51 Ų | 51 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | trans | -67.2 | 154.4 | 179.6 | 27.7 | -33.1 | 0 | 0 | 0 | 111.2 | V57 L78 V80 T83 S87 L94 | V57-P85 HydrophobicContact CG1-CB 4.46Å; V57-P85 HydrophobicContact CG1-CG 3.88Å; V57-P85 HydrophobicContact CG2-CB 4.37Å; V57-P85 HydrophobicContact CG2-CG 4.46Å; L78-P85 WeakPolarHBondContact O-CD 3.49Å; V80-P85 HydrophobicContact CG2-CG 4.23Å; T83-P85 WeakPolarHBondContact O-CD 3.42Å; P85-S87 PolarHBondContact O-N 2.89Å; P85-L94 HydrophobicContact CB-CD1 3.97Å; P85-L94 HydrophobicContact CB-CD2 4.13Å; P85-L94 HydrophobicContact CG-CD2 4.31Å | ||
| 86 | Q | 96.9 | Very high | 96.1 | Very high | 145 Ų | 145 | 53.7 Ų | 53.7 | 68% | 0.678 | 29% | 0.289 | S | S | * | . | trans | -64 | 126.1 | 177.5 | -67.8 | -179.6 | -75.1 | 0 | 0 | 110.9 | S88 L89 | Q86-S88 PolarHBondContact O-N 3.33Å; Q86-S88 VanDerWaalsContact O-N 3.13Å; Q86-L89 HydrophobicContact CB-CB 4.41Å; Q86-L89 VanDerWaalsContact O-CB 3.3Å; Q86-L89 WeakPolarHBondContact O-CB 3.49Å; Q86-L89 PolarHBondContact O-N 2.85Å | ||
| 87 | S | 96.7 | Very high | 96.1 | Very high | 65 Ų | 65 | 60.7 Ų | 60.7 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.5 | -176.2 | -57.3 | 0 | 0 | 0 | 0 | 114.5 | A58 P85 | A58-S87 WeakPolarHBondContact CB-O 3.48Å; A58-S87 PolarHBondContact N-O 3.3Å; P85-S87 PolarHBondContact O-N 2.89Å |
| 88 | S | 97.8 | Very high | 96.2 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 64% | 0.643 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -14.6 | 179.5 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | Q86 | Q86-S88 PolarHBondContact O-N 3.33Å; Q86-S88 VanDerWaalsContact O-N 3.13Å |
| 89 | L | 97.9 | Very high | 96.3 | Very high | 33 Ų | 33 | 64.3 Ų | 64.3 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -65.9 | 141.3 | 178.9 | -164.5 | 68.8 | 0 | 0 | 0 | 109.6 | T56 V57 Q86 Q93 L94 | T56-L89 CarbonylContact C-O 3.46Å; T56-L89 VanDerWaalsContact CA-O 3.25Å; T56-L89 WeakPolarHBondContact CA-O 3.47Å; V57-L89 HydrophobicContact CG2-CB 4.31Å; V57-L89 WeakPolarHBondContact CG2-O 3.47Å; V57-L89 PolarHBondContact N-O 3.1Å; Q86-L89 HydrophobicContact CB-CB 4.41Å; Q86-L89 VanDerWaalsContact O-CB 3.3Å; Q86-L89 WeakPolarHBondContact O-CB 3.49Å; Q86-L89 PolarHBondContact O-N 2.85Å; L89-Q93 HydrophobicContact CD1-CB 3.55Å; L89-Q93 HydrophobicContact CD1-CG 4.3Å; L89-Q93 HydrophobicContact CD2-CB 4.42Å; L89-Q93 HydrophobicContact CG-CB 3.8Å; L89-L94 HydrophobicContact CD2-CB 3.76Å; L89-L94 HydrophobicContact CD2-CD1 3.98Å; L89-L94 HydrophobicContact CD2-CG 4.44Å; L89-L94 HydrophobicContact CG-CB 4.43Å |
| 90 | T | 98.6 | Very high | 96.4 | Very high | 35 Ų | 35 | 66.5 Ų | 66.5 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -75.4 | 153.4 | 171.6 | 63 | 0 | 0 | 0 | 0 | 111 | S53 I55 G92 Q93 L94 | S53-T90 WeakPolarHBondContact O-CB 3.49Å; I55-T90 CarbonylContact O-C 3.46Å; I55-T90 VanDerWaalsContact O-CA 3.3Å; I55-T90 WeakPolarHBondContact O-CA 3.49Å; T90-G92 PolarHBondContact O-N 2.81Å; T90-Q93 VanDerWaalsContact N-OE1 3.07Å; T90-Q93 PolarHBondContact O-N 3.3Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.15Å; T90-Q93 VanDerWaalsContact OG1-CD 3.27Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.18Å; T90-Q93 PolarHBondContact OG1-N 2.97Å; T90-Q93 PolarHBondContact OG1-OE1 2.84Å; T90-L94 WeakPolarHBondContact O-CB 3.4Å; T90-L94 PolarHBondContact O-N 2.96Å |
| 91 | M | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63 | -29.7 | 176.7 | -69.9 | -59.5 | -61.8 | 0 | 0 | 112 | V29 V31 V51 I55 V57 F60 L94 Y95 L105 | V29-M91 HydrophobicContact CG2-CB 3.97Å; V31-M91 HydrophobicContact CG1-CE 4.49Å; V31-M91 HydrophobicContact CG2-CE 3.96Å; V51-M91 HydrophobicContact CG1-CB 4.3Å; V51-M91 HydrophobicContact CG1-CG 4.01Å; I55-M91 HydrophobicContact CD1-CG 4.41Å; I55-M91 HydrophobicContact CG1-CB 4.44Å; I55-M91 HydrophobicContact CG1-CG 3.85Å; I55-M91 PolarHBondContact O-N 3.15Å; V57-M91 HydrophobicContact CG2-SD 4.11Å; F60-M91 HydrophobicContact CB-CG 4.04Å; F60-M91 HydrophobicContact CB-SD 3.72Å; F60-M91 HydrophobicContact CD1-CE 3.66Å; F60-M91 HydrophobicContact CD1-SD 3.79Å; F60-M91 HydrophobicContact CD2-CE 4.46Å; F60-M91 HydrophobicContact CE1-CE 3.91Å; F60-M91 HydrophobicContact CG-CE 3.96Å; F60-M91 HydrophobicContact CG-CG 4.37Å; F60-M91 HydrophobicContact CG-SD 3.82Å; F60-M91 HydrophobicContact CZ-CE 4.4Å; M91-L94 HydrophobicContact CE-CD2 4.5Å; M91-L94 HydrophobicContact SD-CD2 4.25Å; M91-Y95 WeakPolarHBondContact O-CB 3.44Å; M91-Y95 PolarHBondContact O-N 3.39Å; M91-L105 HydrophobicContact CE-CD2 3.76Å |
| 92 | G | 98.4 | Very high | 96.8 | Very high | 14 Ų | 14 | 67.8 Ų | 67.8 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.3 | -48.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S53 T90 L94 Y95 E96 | S53-G92 WeakPolarHBondContact O-CA 3.46Å; S53-G92 PolarHBondContact O-N 2.98Å; T90-G92 PolarHBondContact O-N 2.81Å; G92-L94 VanDerWaalsContact C-N 3.34Å; G92-L94 PolarHBondContact O-N 2.64Å; G92-Y95 PolarHBondContact O-N 2.77Å; G92-E96 PolarHBondContact O-N 3.13Å |
| 93 | Q | 98.3 | Very high | 97.3 | Very high | 109 Ų | 109 | 62.6 Ų | 62.6 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 176.4 | -72.3 | 166.1 | -47.4 | 0 | 0 | 112 | L89 T90 Y95 E96 K97 | L89-Q93 HydrophobicContact CD1-CB 3.55Å; L89-Q93 HydrophobicContact CD1-CG 4.3Å; L89-Q93 HydrophobicContact CD2-CB 4.42Å; L89-Q93 HydrophobicContact CG-CB 3.8Å; T90-Q93 VanDerWaalsContact N-OE1 3.07Å; T90-Q93 PolarHBondContact O-N 3.3Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.15Å; T90-Q93 VanDerWaalsContact OG1-CD 3.27Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.18Å; T90-Q93 PolarHBondContact OG1-N 2.97Å; T90-Q93 PolarHBondContact OG1-OE1 2.84Å; Q93-Y95 VanDerWaalsContact C-N 3.35Å; Q93-E96 PolarHBondContact O-N 3.29Å; Q93-K97 PolarHBondContact O-N 3.27Å |
| 94 | L | 98.2 | Very high | 97.6 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 175.6 | -176.3 | 57.6 | 0 | 0 | 0 | 111.2 | V57 V80 P85 L89 T90 M91 G92 K97 E98 L105 | V57-L94 HydrophobicContact CG2-CD2 3.72Å; V80-L94 HydrophobicContact CG1-CD1 4.46Å; V80-L94 HydrophobicContact CG2-CD1 4.39Å; V80-L94 HydrophobicContact CG2-CD2 4.09Å; P85-L94 HydrophobicContact CB-CD1 3.97Å; P85-L94 HydrophobicContact CB-CD2 4.13Å; P85-L94 HydrophobicContact CG-CD2 4.31Å; L89-L94 HydrophobicContact CD2-CB 3.76Å; L89-L94 HydrophobicContact CD2-CD1 3.98Å; L89-L94 HydrophobicContact CD2-CG 4.44Å; L89-L94 HydrophobicContact CG-CB 4.43Å; T90-L94 WeakPolarHBondContact O-CB 3.4Å; T90-L94 PolarHBondContact O-N 2.96Å; M91-L94 HydrophobicContact CE-CD2 4.5Å; M91-L94 HydrophobicContact SD-CD2 4.25Å; G92-L94 VanDerWaalsContact C-N 3.34Å; G92-L94 PolarHBondContact O-N 2.64Å; L94-K97 PolarHBondContact O-N 2.85Å; L94-E98 HydrophobicContact CD1-CB 4.31Å; L94-E98 HydrophobicContact CD1-CG 3.75Å; L94-E98 WeakPolarHBondContact O-CB 3.43Å; L94-E98 PolarHBondContact O-N 3.02Å; L94-L105 HydrophobicContact CB-CD2 4.47Å; L94-L105 HydrophobicContact CD2-CD2 4.01Å; L94-L105 HydrophobicContact CG-CD1 4.29Å; L94-L105 HydrophobicContact CG-CD2 3.94Å |
| 95 | Y | 98.5 | Very high | 97.8 | Very high | 13 Ų | 13 | 55 Ų | 55 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 176.4 | 175.2 | -89.7 | 0 | 0 | 0 | 112.1 | V29 P30 M91 G92 Q93 K97 E98 K99 G103 L105 | V29-Y95 HydrophobicContact CB-CD2 3.88Å; V29-Y95 HydrophobicContact CB-CG 4Å; V29-Y95 HydrophobicContact CG1-CD1 4.05Å; V29-Y95 HydrophobicContact CG1-CD2 4.04Å; V29-Y95 HydrophobicContact CG1-CG 3.64Å; P30-Y95 HydrophobicContact CG-CE2 4.18Å; M91-Y95 WeakPolarHBondContact O-CB 3.44Å; M91-Y95 PolarHBondContact O-N 3.39Å; G92-Y95 PolarHBondContact O-N 2.77Å; Q93-Y95 VanDerWaalsContact C-N 3.35Å; Y95-K97 PolarHBondContact O-N 2.83Å; Y95-E98 PolarHBondContact O-N 3.46Å; Y95-K99 HydrophobicContact CD1-CD 4.01Å; Y95-K99 HydrophobicContact CD2-CB 3.99Å; Y95-K99 HydrophobicContact CE1-CB 4.4Å; Y95-K99 HydrophobicContact CE1-CD 3.48Å; Y95-K99 VanDerWaalsContact CE1-CD 3.48Å; Y95-K99 HydrophobicContact CE2-CB 3.83Å; Y95-K99 HydrophobicContact CE2-CD 4.33Å; Y95-K99 HydrophobicContact CG-CB 4.31Å; Y95-K99 WeakPolarHBondContact O-CB 3.35Å; Y95-K99 VanDerWaalsContact O-CG 3.31Å; Y95-K99 WeakPolarHBondContact O-CG 2.99Å; Y95-K99 PolarHBondContact O-N 2.67Å; Y95-G103 WeakPolarHBondContact CE2-O 3.01Å; Y95-G103 PolarHBondContact OH-O 2.82Å; Y95-L105 HydrophobicContact CD2-CB 3.86Å |
| 96 | E | 97.6 | Very high | 97.9 | Very high | 106 Ų | 106 | 54.8 Ų | 54.8 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.8 | -29 | -179.9 | -69.5 | -53.3 | 146.9 | 0 | 0 | 113.3 | G92 Q93 K99 | G92-E96 PolarHBondContact O-N 3.13Å; Q93-E96 PolarHBondContact O-N 3.29Å; E96-K99 IonicContact OE1-NZ 2.62Å; E96-K99 IonicContact OE2-NZ 2.62Å; E96-K99 PolarHBondContact OE2-NZ 2.77Å |
| 97 | K | 97 | Very high | 97.9 | Very high | 156 Ų | 156 | 48 Ų | 48 | 68% | 0.678 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -82.2 | -38.6 | 178.7 | -172.1 | 179 | 179.8 | -99.9 | 0 | 113.3 | Q93 L94 Y95 | Q93-K97 PolarHBondContact O-N 3.27Å; L94-K97 PolarHBondContact O-N 2.85Å; Y95-K97 PolarHBondContact O-N 2.83Å |
| 98 | E | 97.6 | Very high | 97.9 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -127.7 | 8 | -163.3 | -54 | -67.3 | 164.9 | 0 | 0 | 114.3 | V80 L94 Y95 L105 | V80-E98 HydrophobicContact CG1-CB 3.48Å; V80-E98 VanDerWaalsContact CG1-CB 3.48Å; V80-E98 HydrophobicContact CG1-CG 3.8Å; L94-E98 HydrophobicContact CD1-CB 4.31Å; L94-E98 HydrophobicContact CD1-CG 3.75Å; L94-E98 WeakPolarHBondContact O-CB 3.43Å; L94-E98 PolarHBondContact O-N 3.02Å; Y95-E98 PolarHBondContact O-N 3.46Å; E98-L105 HydrophobicContact CB-CD1 3.93Å |
| 99 | K | 97.4 | Very high | 97.9 | Very high | 88 Ų | 88 | 40.6 Ų | 40.6 | 38% | 0.383 | 20% | 0.198 | S | C | . | . | trans | -59.3 | 144.4 | 173.1 | 66.9 | -165.9 | 177.8 | -155.1 | 0 | 110.5 | Y95 E96 | Y95-K99 HydrophobicContact CD1-CD 4.01Å; Y95-K99 HydrophobicContact CD2-CB 3.99Å; Y95-K99 HydrophobicContact CE1-CB 4.4Å; Y95-K99 HydrophobicContact CE1-CD 3.48Å; Y95-K99 VanDerWaalsContact CE1-CD 3.48Å; Y95-K99 HydrophobicContact CE2-CB 3.83Å; Y95-K99 HydrophobicContact CE2-CD 4.33Å; Y95-K99 HydrophobicContact CG-CB 4.31Å; Y95-K99 WeakPolarHBondContact O-CB 3.35Å; Y95-K99 VanDerWaalsContact O-CG 3.31Å; Y95-K99 WeakPolarHBondContact O-CG 2.99Å; Y95-K99 PolarHBondContact O-N 2.67Å; E96-K99 IonicContact OE1-NZ 2.62Å; E96-K99 IonicContact OE2-NZ 2.62Å; E96-K99 PolarHBondContact OE2-NZ 2.77Å | ||
| 100 | D | 97.7 | Very high | 97.7 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | trans | -78.3 | 167.1 | 175.3 | -160.8 | -103 | 0 | 0 | 0 | 110.7 | K6 R14 D102 G103 F104 Y106 | K6-D100 IonicContact NZ-OD1 2.84Å; K6-D100 PolarHBondContact NZ-OD1 2.89Å; K6-D100 IonicContact NZ-OD2 3.78Å; K6-D100 PolarHBondContact NZ-OD2 2.93Å; R14-D100 IonicContact NH1-OD1 2.97Å; D100-D102 WeakPolarHBondContact CB-OD1 3.2Å; D100-D102 PolarHBondContact O-N 2.88Å; D100-D102 VanDerWaalsContact O-N 3.09Å; D100-G103 PolarHBondContact O-N 3.28Å; D100-F104 PolarHBondContact N-O 2.95Å; D100-Y106 HydrophobicContact CB-CD2 3.64Å; D100-Y106 HydrophobicContact CB-CE2 3.61Å | ||
| 101 | E | 97.2 | Very high | 97.5 | Very high | 153 Ų | 153 | 38.7 Ų | 38.7 | 72% | 0.715 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -22.5 | 179 | 60.5 | 177.3 | -174.7 | 0 | 0 | 113.3 | L11 G103 | L11-E101 HydrophobicContact CD1-CG 4.08Å; E101-G103 VanDerWaalsContact C-N 3.3Å; E101-G103 PolarHBondContact O-N 3.36Å |
| 102 | D | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -2.7 | 178.9 | 80.7 | -18.5 | 0 | 0 | 0 | 114.2 | L11 R14 C15 S18 D100 F104 Y106 | L11-D102 HydrophobicContact CD1-CB 3.75Å; R14-D102 HydrophobicContact CB-CB 3.81Å; R14-D102 WeakPolarHBondContact CB-OD2 3.38Å; R14-D102 VanDerWaalsContact CD-OD2 3.31Å; R14-D102 WeakPolarHBondContact CD-OD2 3.41Å; R14-D102 IonicContact CZ-OD2 3.75Å; R14-D102 IonicContact NE-OD2 2.75Å; R14-D102 VanDerWaalsContact NH1-CB 3.26Å; R14-D102 IonicContact NH1-OD2 3.83Å; R14-D102 PolarHBondContact NH1-OD2 3.2Å; C15-D102 WeakPolarHBondContact CA-O 3.15Å; S18-D102 WeakPolarHBondContact CB-O 3.47Å; S18-D102 PolarHBondContact OG-O 2.79Å; D100-D102 WeakPolarHBondContact CB-OD1 3.2Å; D100-D102 PolarHBondContact O-N 2.88Å; D100-D102 VanDerWaalsContact O-N 3.09Å; D102-F104 WeakPolarHBondContact OD1-CB 3.08Å; D102-F104 PolarHBondContact OD1-N 3.25Å; D102-F104 WeakPolarHBondContact OD2-CD2 3.44Å; D102-Y106 PolarHBondContact OD2-OH 3.08Å |
| 103 | G | 98.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 14% | 0.144 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 82.4 | 10.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P30 Y95 D100 E101 | P30-G103 WeakPolarHBondContact CG-O 3.31Å; Y95-G103 WeakPolarHBondContact CE2-O 3.01Å; Y95-G103 PolarHBondContact OH-O 2.82Å; D100-G103 PolarHBondContact O-N 3.28Å; E101-G103 VanDerWaalsContact C-N 3.3Å; E101-G103 PolarHBondContact O-N 3.36Å |
| 104 | F | 98.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -100.6 | 148.7 | 168.4 | -73.6 | -88.4 | 0 | 0 | 0 | 111.5 | F5 R14 E17 P30 I32 D100 D102 Y106 | F5-F104 HydrophobicContact CE1-CD2 4.23Å; F5-F104 HydrophobicContact CE1-CE2 4.12Å; F5-F104 HydrophobicContact CE1-CZ 4.4Å; F5-F104 HydrophobicContact CZ-CE2 4.34Å; F5-F104 HydrophobicContact CZ-CZ 4.31Å; R14-F104 HydrophobicContact CB-CD2 4.43Å; R14-F104 HydrophobicContact CB-CE2 4.25Å; R14-F104 WeakPolarHBondContact O-CE2 3.21Å; E17-F104 HydrophobicContact CB-CZ 4.39Å; E17-F104 HydrophobicContact CG-CZ 4.22Å; P30-F104 HydrophobicContact CB-CD1 3.61Å; P30-F104 HydrophobicContact CB-CE1 3.66Å; P30-F104 HydrophobicContact CG-CD1 4.19Å; P30-F104 HydrophobicContact CG-CE1 4.49Å; I32-F104 HydrophobicContact CD1-CD1 3.66Å; I32-F104 HydrophobicContact CD1-CE1 3.88Å; I32-F104 HydrophobicContact CD1-CG 4.27Å; I32-F104 HydrophobicContact CG1-CB 3.95Å; I32-F104 HydrophobicContact CG1-CD1 3.69Å; I32-F104 HydrophobicContact CG1-CE1 4.4Å; I32-F104 HydrophobicContact CG1-CG 3.92Å; D100-F104 PolarHBondContact N-O 2.95Å; D102-F104 WeakPolarHBondContact OD1-CB 3.08Å; D102-F104 PolarHBondContact OD1-N 3.25Å; D102-F104 WeakPolarHBondContact OD2-CD2 3.44Å; F104-Y106 HydrophobicContact CB-CD2 4.26Å; F104-Y106 HydrophobicContact CB-CE2 3.81Å |
| 105 | L | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 128.6 | 162 | 174.9 | 68.1 | 0 | 0 | 0 | 109.3 | P30 V31 I32 V80 M91 L94 Y95 E98 V107 | P30-L105 PolarHBondContact O-N 3.38Å; V31-L105 CarbonylContact C-O 3.52Å; V31-L105 VanDerWaalsContact CA-O 3.3Å; V31-L105 WeakPolarHBondContact CA-O 3.44Å; V31-L105 HydrophobicContact CG1-CD2 4.5Å; V31-L105 HydrophobicContact CG2-CB 4.4Å; V31-L105 HydrophobicContact CG2-CD2 4.31Å; I32-L105 PolarHBondContact N-O 3.15Å; V80-L105 HydrophobicContact CG1-CD1 4.02Å; M91-L105 HydrophobicContact CE-CD2 3.76Å; L94-L105 HydrophobicContact CB-CD2 4.47Å; L94-L105 HydrophobicContact CD2-CD2 4.01Å; L94-L105 HydrophobicContact CG-CD1 4.29Å; L94-L105 HydrophobicContact CG-CD2 3.94Å; Y95-L105 HydrophobicContact CD2-CB 3.86Å; E98-L105 HydrophobicContact CB-CD1 3.93Å; L105-V107 HydrophobicContact CD2-CG2 4.11Å; L105-V107 HydrophobicContact CG-CG2 4.03Å |
| 106 | Y | 98.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 4% | 0.043 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117.5 | -179.8 | -74.9 | -93 | 0 | 0 | 0 | 111 | W3 F5 K6 R14 I32 D100 D102 F104 | W3-Y106 HydrophobicContact CB-CD1 4.4Å; W3-Y106 HydrophobicContact CB-CE1 4.24Å; W3-Y106 AromaticContact CD2-CD1 3.47Å; W3-Y106 HydrophobicContact CD2-CD1 3.47Å; W3-Y106 VanDerWaalsContact CD2-CD1 3.47Å; W3-Y106 HydrophobicContact CD2-CE1 4.19Å; W3-Y106 HydrophobicContact CD2-CG 4.22Å; W3-Y106 AromaticContact CE2-CD1 3.82Å; W3-Y106 AromaticContact CE3-CD1 3.61Å; W3-Y106 HydrophobicContact CE3-CD1 3.61Å; W3-Y106 HydrophobicContact CE3-CE1 4.42Å; W3-Y106 HydrophobicContact CE3-CG 4.49Å; W3-Y106 AromaticContact CG-CD1 3.82Å; W3-Y106 HydrophobicContact CG-CD1 3.82Å; W3-Y106 HydrophobicContact CG-CE1 4.1Å; W3-Y106 HydrophobicContact CH2-CD1 4.39Å; W3-Y106 VanDerWaalsContact CZ2-CB 3.47Å; W3-Y106 HydrophobicContact CZ2-CD1 4.3Å; W3-Y106 HydrophobicContact CZ2-CG 4.3Å; W3-Y106 HydrophobicContact CZ3-CD1 4.06Å; F5-Y106 HydrophobicContact CD1-CE1 4.04Å; K6-Y106 HydrophobicContact CD-CE1 4.4Å; K6-Y106 VanDerWaalsContact CE-CE2 3.46Å; K6-Y106 VanDerWaalsContact CE-OH 3.31Å; K6-Y106 WeakPolarHBondContact CE-OH 3.36Å; K6-Y106 HydrophobicContact CG-CE1 3.89Å; K6-Y106 VanDerWaalsContact CG-OH 3.22Å; K6-Y106 WeakPolarHBondContact CG-OH 3.24Å; R14-Y106 WeakPolarHBondContact CD-OH 3.14Å; R14-Y106 PolarHBondContact NH1-OH 2.84Å; R14-Y106 VanDerWaalsContact NH1-OH 3.07Å; I32-Y106 HydrophobicContact CB-CD1 3.74Å; I32-Y106 HydrophobicContact CB-CE1 3.88Å; I32-Y106 HydrophobicContact CB-CG 4.39Å; I32-Y106 HydrophobicContact CG1-CD1 4.24Å; I32-Y106 HydrophobicContact CG1-CE1 3.93Å; I32-Y106 HydrophobicContact CG2-CD1 3.89Å; I32-Y106 HydrophobicContact CG2-CE1 3.9Å; D100-Y106 HydrophobicContact CB-CD2 3.64Å; D100-Y106 HydrophobicContact CB-CE2 3.61Å; D102-Y106 PolarHBondContact OD2-OH 3.08Å; F104-Y106 HydrophobicContact CB-CD2 4.26Å; F104-Y106 HydrophobicContact CB-CE2 3.81Å |
| 107 | V | 97.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.8 | -178.2 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | W3 V31 I32 V33 E34 F60 L78 F79 V80 L105 | W3-V107 VanDerWaalsContact CH2-C 3.48Å; V31-V107 HydrophobicContact CG1-CB 4.19Å; V31-V107 HydrophobicContact CG1-CG2 3.6Å; I32-V107 PolarHBondContact O-N 3.05Å; V33-V107 VanDerWaalsContact CA-O 3.25Å; V33-V107 WeakPolarHBondContact CA-O 3.48Å; E34-V107 PolarHBondContact N-O 3.37Å; E34-V107 VanDerWaalsContact N-O 3.1Å; F60-V107 HydrophobicContact CE1-CG1 4.34Å; F60-V107 HydrophobicContact CE1-CG2 4.36Å; L78-V107 HydrophobicContact CB-CG1 4Å; L78-V107 HydrophobicContact CD1-CG1 4.23Å; L78-V107 HydrophobicContact CD2-CG1 4.06Å; L78-V107 HydrophobicContact CG-CG1 4.33Å; F79-V107 WeakPolarHBondContact O-CA 3.29Å; V80-V107 HydrophobicContact CG2-CG2 3.92Å; L105-V107 HydrophobicContact CD2-CG2 4.11Å; L105-V107 HydrophobicContact CG-CG2 4.03Å |
| 108 | A | 96.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 150.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | M1 W3 E34 V36 L78 F79 | M1-A108 HydrophobicContact CE-CB 3.15Å; M1-A108 HydrophobicContact SD-CB 3.59Å; M1-A108 VanDerWaalsContact SD-CB 3.59Å; W3-A108 HydrophobicContact CH2-CB 3.87Å; W3-A108 HydrophobicContact CZ3-CB 4.37Å; E34-A108 CarbonylContact O-C 3.56Å; E34-A108 WeakPolarHBondContact O-CA 3.33Å; V36-A108 HydrophobicContact CG2-CB 3.82Å; L78-A108 CarbonylContact C-O 3.55Å; L78-A108 VanDerWaalsContact CA-O 3.29Å; L78-A108 WeakPolarHBondContact CA-O 3.33Å; F79-A108 HydrophobicContact CB-CB 4.36Å; F79-A108 PolarHBondContact N-O 2.84Å; F79-A108 PolarHBondContact O-N 3.42Å |
| 109 | Y | 96.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.5 | 174 | 71.1 | -80.5 | 0 | 0 | 0 | 112.3 | V33 E34 K35 V36 I41 V42 D43 I44 I68 I76 F77 | V33-Y109 HydrophobicContact CG1-CD1 3.61Å; V33-Y109 HydrophobicContact CG1-CE1 4.01Å; E34-Y109 WeakPolarHBondContact O-CD1 3.4Å; E34-Y109 WeakPolarHBondContact O-CE1 3.18Å; E34-Y109 PolarHBondContact O-N 3.47Å; K35-Y109 HydrophobicContact CB-CE1 3.91Å; K35-Y109 HydrophobicContact CB-CE2 4.21Å; K35-Y109 WeakPolarHBondContact CB-OH 3.2Å; K35-Y109 HydrophobicContact CD-CE2 4.4Å; K35-Y109 HydrophobicContact CG-CE2 3.97Å; K35-Y109 VanDerWaalsContact N-CE1 3.29Å; V36-Y109 PolarHBondContact N-O 3.5Å; I41-Y109 HydrophobicContact CD1-CD2 4.2Å; I41-Y109 HydrophobicContact CG1-CE2 4.47Å; I41-Y109 HydrophobicContact CG2-CD2 3.83Å; I41-Y109 HydrophobicContact CG2-CE2 3.66Å; V42-Y109 WeakPolarHBondContact O-CE2 3.44Å; V42-Y109 PolarHBondContact O-OH 3.34Å; D43-Y109 WeakPolarHBondContact CA-OH 3.42Å; I44-Y109 HydrophobicContact CB-CE1 4.16Å; I44-Y109 WeakPolarHBondContact CB-OH 3.49Å; I44-Y109 HydrophobicContact CG2-CE1 3.86Å; I44-Y109 PolarHBondContact N-OH 2.96Å; I68-Y109 HydrophobicContact CD1-CE2 4.44Å; I76-Y109 HydrophobicContact CD1-CD2 4.46Å; F77-Y109 WeakPolarHBondContact O-CA 3.34Å |
| 110 | S | 95.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 156.6 | 176.9 | -171 | 0 | 0 | 0 | 0 | 110.6 | S39 I76 F77 E112 | S39-S110 PolarHBondContact OG-OG 2.8Å; I76-S110 WeakPolarHBondContact CA-O 3.49Å; F77-S110 PolarHBondContact N-O 3.18Å; F77-S110 PolarHBondContact O-N 2.9Å; S110-E112 PolarHBondContact OG-N 3.04Å |
| 111 | G | 93.8 | Very high | 87.3 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 27% | 0.268 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -75.1 | -12.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S39 | S39-G111 PolarHBondContact OG-N 3.04Š|
| 112 | E | 88.5 | Confident | 86.7 | Confident | 95 Ų | 95 | 42.1 Ų | 42.1 | 44% | 0.444 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -109.6 | 147.9 | -178.4 | -64.4 | 176.4 | -172.5 | 0 | 0 | 111.2 | F77 S110 T114 | F77-E112 VanDerWaalsContact CD2-O 3.23Å; F77-E112 WeakPolarHBondContact CD2-O 3.23Å; S110-E112 PolarHBondContact OG-N 3.04Å; E112-T114 VanDerWaalsContact C-N 3.27Å; E112-T114 PolarHBondContact O-N 3.45Å |
| 113 | N | 83.6 | Confident | 85.9 | Confident | 103 Ų | 103 | 44.8 Ų | 44.8 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -80.6 | -8.8 | -179.7 | 65.6 | -14.1 | 0 | 0 | 0 | 113.5 | F77 | F77-N113 HydrophobicContact CD1-CB 3.86Å; F77-N113 HydrophobicContact CD2-CB 4.05Å; F77-N113 HydrophobicContact CE1-CB 3.58Å; F77-N113 HydrophobicContact CE2-CB 3.77Å; F77-N113 HydrophobicContact CG-CB 4.09Å; F77-N113 HydrophobicContact CZ-CB 3.54Å |
| 114 | T | 75.6 | Confident | 85 | Confident | 55 Ų | 55 | 47 Ų | 47 | 34% | 0.337 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -104.7 | 141.9 | 179 | 41.6 | 0 | 0 | 0 | 0 | 111.3 | E112 F117 | E112-T114 VanDerWaalsContact C-N 3.27Å; E112-T114 PolarHBondContact O-N 3.45Å; T114-F117 HydrophobicContact CG2-CE2 4.13Å; T114-F117 VanDerWaalsContact OG1-CE2 3.28Å; T114-F117 WeakPolarHBondContact OG1-CE2 3.28Å |
| 115 | F | 66.4 | Low | 84 | Confident | 65 Ų | 65 | 50.2 Ų | 50.2 | 29% | 0.285 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -90.4 | 104.5 | 178.1 | -163.6 | -92.2 | 0 | 0 | 0 | 111.1 | M1 V36 F79 K82 | M1-F115 HydrophobicContact CB-CZ 4.13Å; M1-F115 HydrophobicContact CE-CD2 4.27Å; M1-F115 HydrophobicContact CE-CE1 4.39Å; M1-F115 HydrophobicContact CE-CE2 3.14Å; M1-F115 HydrophobicContact CE-CZ 3.21Å; M1-F115 HydrophobicContact CG-CZ 3.92Å; M1-F115 HydrophobicContact SD-CZ 4.25Å; V36-F115 HydrophobicContact CB-CE2 4.35Å; V36-F115 HydrophobicContact CG1-CD2 4.36Å; V36-F115 HydrophobicContact CG1-CE2 3.78Å; V36-F115 HydrophobicContact CG1-CZ 4.13Å; V36-F115 HydrophobicContact CG2-CD2 4.18Å; V36-F115 HydrophobicContact CG2-CE2 3.59Å; F79-F115 HydrophobicContact CB-CD2 4.48Å; F79-F115 HydrophobicContact CD1-CD2 4.2Å; F79-F115 HydrophobicContact CD2-CD2 4.41Å; F79-F115 HydrophobicContact CE1-CB 4.4Å; F79-F115 HydrophobicContact CG-CD2 4.11Å; K82-F115 HydrophobicContact CB-CD1 4.36Å; K82-F115 HydrophobicContact CB-CG 4.35Å; K82-F115 HydrophobicContact CG-CD1 4.12Å; K82-F115 HydrophobicContact CG-CE1 4.24Å |
| 116 | G | 57.3 | Low | 82.8 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 56% | 0.557 | 30% | 0.297 | S | S | * | . | trans | 75.7 | 75.5 | 164 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 117 | F | 44.5 | Very low | 81.4 | Confident | 237 Ų | 237 | 58.3 Ų | 58.3 | 100% | 1.039 | 32% | 0.32 | S | S | * | . | trans | -78.5 | 0 | 151.1 | -73 | -73.9 | 0 | 0 | 0 | 110.7 | T114 | T114-F117 HydrophobicContact CG2-CE2 4.13Å; T114-F117 VanDerWaalsContact OG1-CE2 3.28Å; T114-F117 WeakPolarHBondContact OG1-CE2 3.28Å |
Retrieved 117 of 117 residues in 50.9 ms
(Link to these results)