| 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 | 93.1 | Very high | 97.5 | Very high | 87 Ų | 87 | 78.9 Ų | 78.9 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | 0 | 134.8 | 0 | -174 | 175.1 | -66.3 | 0 | 0 | 109.7 | L41 C45 F53 K55 | M1-L41 HydrophobicContact CE-CD1 4.28Å; M1-L41 HydrophobicContact CE-CD2 3.72Å; M1-L41 HydrophobicContact CE-CG 3.67Å; M1-C45 WeakPolarHBondContact CE-SG 3.23Å; M1-F53 HydrophobicContact CB-CB 4.4Å; M1-F53 HydrophobicContact CE-CB 4.22Å; M1-F53 HydrophobicContact CG-CB 4.06Å; M1-K55 HydrophobicContact CG-CB 4.31Å; M1-K55 HydrophobicContact CG-CD 4.46Å; M1-K55 HydrophobicContact CG-CG 4.11Å; M1-K55 HydrophobicContact SD-CB 3.71Å; M1-K55 HydrophobicContact SD-CD 3.79Å; M1-K55 HydrophobicContact SD-CG 3.82Å | |||
| 2 | R | 96.9 | Very high | 97.6 | Very high | 78 Ų | 78 | 82 Ų | 82 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 137.2 | 176.2 | 176.8 | 172.4 | 68.4 | -163.8 | 0.1 | 110 | E16 F53 V54 K55 | R2-E16 IonicContact CZ-OE1 3.83Å; R2-E16 IonicContact NH1-OE1 2.66Å; R2-E16 PolarHBondContact NH1-OE1 3.3Å; R2-E16 IonicContact NH1-OE2 2.76Å; R2-E16 IonicContact NH2-OE1 2.79Å; R2-E16 PolarHBondContact NH2-OE1 3.11Å; R2-E16 IonicContact NH2-OE2 3.21Å; R2-F53 PolarHBondContact N-O 3.05Å; R2-V54 CarbonylContact O-C 3.54Å; R2-V54 WeakPolarHBondContact O-CA 3.43Å; R2-K55 PolarHBondContact O-N 3.44Å |
| 3 | E | 98.2 | Very high | 97.6 | Very high | 79 Ų | 79 | 75.7 Ų | 75.7 | 37% | 0.369 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 136 | 169.1 | -171.1 | 158 | -174.4 | 0 | 0 | 109.8 | Q5 F27 K55 | E3-Q5 HydrophobicContact CG-CG 4.48Å; E3-F27 WeakPolarHBondContact OE1-CZ 3.31Å; E3-K55 WeakPolarHBondContact CA-O 3.47Å; E3-K55 HydrophobicContact CB-CG 4.1Å; E3-K55 VanDerWaalsContact CD-NZ 3.29Å; E3-K55 HydrophobicContact CG-CG 4.18Å; E3-K55 IonicContact OE1-NZ 3.99Å; E3-K55 WeakPolarHBondContact OE2-CE 3.39Å; E3-K55 IonicContact OE2-NZ 2.68Å; E3-K55 PolarHBondContact OE2-NZ 2.97Å |
| 4 | V | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 72.6 Ų | 72.6 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | trans | -113.2 | 139.8 | 170.6 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | E9 L10 V54 K55 L56 | V4-E9 HydrophobicContact CB-CB 3.86Å; V4-E9 HydrophobicContact CG1-CB 3.88Å; V4-L10 HydrophobicContact CG2-CB 4.28Å; V4-L10 HydrophobicContact CG2-CD1 4.33Å; V4-V54 HydrophobicContact CB-CG1 4.31Å; V4-V54 HydrophobicContact CG1-CG1 3.62Å; V4-V54 HydrophobicContact CG2-CG1 3.78Å; V4-K55 PolarHBondContact N-O 3.13Å; V4-L56 HydrophobicContact CG2-CB 3.82Å; V4-L56 HydrophobicContact CG2-CD2 4.43Å | ||
| 5 | Q | 97.6 | Very high | 97.7 | Very high | 126 Ų | 126 | 77 Ų | 77 | 59% | 0.589 | 36% | 0.361 | S | S | * | . | trans | -124.1 | -6.3 | -174.8 | -61.8 | 177.7 | 22 | 0 | 0 | 112.5 | E3 E9 | E3-Q5 HydrophobicContact CG-CG 4.48Å; Q5-E9 PolarHBondContact N-OE2 3.05Å | ||
| 6 | T | 98.1 | Very high | 97.7 | Very high | 62 Ų | 62 | 75.1 Ų | 75.1 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -134.2 | 158.5 | 179.6 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | E8 E9 L10 | T6-E8 VanDerWaalsContact C-N 3.29Å; T6-E8 PolarHBondContact O-N 3.37Å; T6-E9 PolarHBondContact N-OE2 2.7Å; T6-E9 PolarHBondContact O-N 3.35Å; T6-E9 WeakPolarHBondContact OG1-CB 3.46Å; T6-E9 VanDerWaalsContact OG1-CG 3.26Å; T6-E9 WeakPolarHBondContact OG1-CG 3.42Å; T6-E9 PolarHBondContact OG1-N 3.33Å; T6-L10 PolarHBondContact O-N 2.99Å |
| 7 | E | 97.2 | Very high | 97.7 | Very high | 65 Ų | 65 | 70.7 Ų | 70.7 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 174.4 | -66.5 | -67.9 | -179.1 | 0 | 0 | 111.7 | E9 L10 E11 L61 S63 A64 | E7-E9 PolarHBondContact O-N 3.47Å; E7-L10 PolarHBondContact O-N 3.46Å; E7-E11 WeakPolarHBondContact O-CB 3.22Å; E7-E11 WeakPolarHBondContact O-CG 3.28Å; E7-E11 PolarHBondContact O-N 3.47Å; E7-L61 HydrophobicContact CG-CD1 4.27Å; E7-S63 VanDerWaalsContact OE1-CB 3.29Å; E7-S63 WeakPolarHBondContact OE1-CB 3.34Å; E7-S63 PolarHBondContact OE1-OG 3.21Å; E7-A64 PolarHBondContact OE1-N 2.92Å |
| 8 | E | 98.2 | Very high | 97.7 | Very high | 154 Ų | 154 | 73.5 Ų | 73.5 | 72% | 0.72 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | 177.8 | -176.7 | 176.7 | -173.9 | 0 | 0 | 111.8 | T6 L10 E11 Q12 | T6-E8 VanDerWaalsContact C-N 3.29Å; T6-E8 PolarHBondContact O-N 3.37Å; E8-L10 VanDerWaalsContact C-N 3.33Å; E8-L10 PolarHBondContact O-N 2.86Å; E8-E11 PolarHBondContact O-N 3.49Å; E8-Q12 WeakPolarHBondContact O-CB 3.34Å; E8-Q12 PolarHBondContact O-N 3.16Å |
| 9 | E | 98.6 | Very high | 97.6 | Very high | 81 Ų | 81 | 76.4 Ų | 76.4 | 38% | 0.379 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 175.5 | -72.7 | 173.8 | 163.7 | 0 | 0 | 112.1 | V4 Q5 T6 E7 A13 | V4-E9 HydrophobicContact CB-CB 3.86Å; V4-E9 HydrophobicContact CG1-CB 3.88Å; Q5-E9 PolarHBondContact N-OE2 3.05Å; T6-E9 PolarHBondContact N-OE2 2.7Å; T6-E9 PolarHBondContact O-N 3.35Å; T6-E9 WeakPolarHBondContact OG1-CB 3.46Å; T6-E9 VanDerWaalsContact OG1-CG 3.26Å; T6-E9 WeakPolarHBondContact OG1-CG 3.42Å; T6-E9 PolarHBondContact OG1-N 3.33Å; E7-E9 PolarHBondContact O-N 3.47Å; E9-A13 WeakPolarHBondContact O-CB 3.49Å; E9-A13 PolarHBondContact O-N 2.82Å |
| 10 | L | 98.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 175.4 | 178.5 | 57.7 | 0 | 0 | 0 | 111.7 | V4 T6 E7 E8 Q12 A13 I14 L24 L56 L61 A64 Y68 | V4-L10 HydrophobicContact CG2-CB 4.28Å; V4-L10 HydrophobicContact CG2-CD1 4.33Å; T6-L10 PolarHBondContact O-N 2.99Å; E7-L10 PolarHBondContact O-N 3.46Å; E8-L10 VanDerWaalsContact C-N 3.33Å; E8-L10 PolarHBondContact O-N 2.86Å; L10-Q12 VanDerWaalsContact C-N 3.32Å; L10-Q12 PolarHBondContact O-N 2.7Å; L10-A13 WeakPolarHBondContact O-CB 3.1Å; L10-A13 PolarHBondContact O-N 2.95Å; L10-A13 VanDerWaalsContact O-N 3.12Å; L10-I14 HydrophobicContact CD1-CD1 4.17Å; L10-I14 HydrophobicContact CD1-CG1 4.36Å; L10-I14 HydrophobicContact CG-CD1 4.04Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 3.5Å; L10-L24 HydrophobicContact CD1-CD1 4.24Å; L10-L24 HydrophobicContact CD1-CD2 3.72Å; L10-L56 HydrophobicContact CD1-CD2 4.34Å; L10-L56 HydrophobicContact CD2-CD2 4.09Å; L10-L61 HydrophobicContact CD2-CD2 4.26Å; L10-A64 HydrophobicContact CD2-CB 3.56Å; L10-Y68 HydrophobicContact CD2-CE2 4.21Å |
| 11 | E | 97.9 | Very high | 97.6 | Very high | 131 Ų | 131 | 74.1 Ų | 74.1 | 61% | 0.612 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.3 | -43.6 | 174.2 | -75.6 | 178.3 | -175.1 | 0 | 0 | 111.3 | E7 E8 A13 I14 K15 | E7-E11 WeakPolarHBondContact O-CB 3.22Å; E7-E11 WeakPolarHBondContact O-CG 3.28Å; E7-E11 PolarHBondContact O-N 3.47Å; E8-E11 PolarHBondContact O-N 3.49Å; E11-A13 VanDerWaalsContact C-N 3.3Å; E11-A13 PolarHBondContact O-N 3.36Å; E11-I14 PolarHBondContact O-N 3.15Å; E11-K15 WeakPolarHBondContact O-CB 3.43Å; E11-K15 PolarHBondContact O-N 2.97Å |
| 12 | Q | 98.3 | Very high | 97.9 | Very high | 116 Ų | 116 | 70 Ų | 70 | 54% | 0.542 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 174.5 | -177.8 | 176.6 | -1.4 | 0 | 0 | 111.6 | E8 L10 K15 E16 | E8-Q12 WeakPolarHBondContact O-CB 3.34Å; E8-Q12 PolarHBondContact O-N 3.16Å; L10-Q12 VanDerWaalsContact C-N 3.32Å; L10-Q12 PolarHBondContact O-N 2.7Å; Q12-K15 WeakPolarHBondContact O-CB 3.33Å; Q12-K15 PolarHBondContact O-N 3.5Å; Q12-E16 PolarHBondContact O-N 3.05Å |
| 13 | A | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E9 L10 E11 K15 E16 S17 M22 V54 | E9-A13 WeakPolarHBondContact O-CB 3.49Å; E9-A13 PolarHBondContact O-N 2.82Å; L10-A13 WeakPolarHBondContact O-CB 3.1Å; L10-A13 PolarHBondContact O-N 2.95Å; L10-A13 VanDerWaalsContact O-N 3.12Å; E11-A13 VanDerWaalsContact C-N 3.3Å; E11-A13 PolarHBondContact O-N 3.36Å; A13-K15 VanDerWaalsContact C-N 3.28Å; A13-K15 PolarHBondContact O-N 2.58Å; A13-E16 WeakPolarHBondContact O-CB 3.45Å; A13-E16 PolarHBondContact O-N 3.13Å; A13-E16 VanDerWaalsContact O-N 3.13Å; A13-S17 PolarHBondContact O-N 3.42Å; A13-S17 VanDerWaalsContact O-N 3.16Å; A13-M22 VanDerWaalsContact C-SD 3.54Å; A13-M22 HydrophobicContact CB-SD 3.75Å; A13-V54 HydrophobicContact CB-CG2 4.14Å |
| 14 | I | 98.1 | Very high | 98 | Very high | 32 Ų | 32 | 62.6 Ų | 62.6 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 176.5 | -67 | 163 | 0 | 0 | 0 | 110.3 | L10 E11 E16 S17 M22 Y68 F79 G82 | L10-I14 HydrophobicContact CD1-CD1 4.17Å; L10-I14 HydrophobicContact CD1-CG1 4.36Å; L10-I14 HydrophobicContact CG-CD1 4.04Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 3.5Å; E11-I14 PolarHBondContact O-N 3.15Å; I14-E16 VanDerWaalsContact C-N 3.34Å; I14-E16 PolarHBondContact O-N 3.42Å; I14-S17 WeakPolarHBondContact O-CA 2.75Å; I14-S17 VanDerWaalsContact O-CB 3.24Å; I14-S17 WeakPolarHBondContact O-CB 3.34Å; I14-S17 PolarHBondContact O-N 3.14Å; I14-S17 PolarHBondContact O-OG 2.72Å; I14-M22 HydrophobicContact CG1-CE 3.91Å; I14-Y68 WeakPolarHBondContact CD1-OH 3.44Å; I14-F79 HydrophobicContact CD1-CE1 4.31Å; I14-F79 HydrophobicContact CG1-CD1 4.33Å; I14-F79 HydrophobicContact CG1-CE1 4.13Å; I14-F79 HydrophobicContact CG2-CD1 4.37Å; I14-G82 WeakPolarHBondContact CG2-O 3.34Å |
| 15 | K | 98.3 | Very high | 98 | Very high | 139 Ų | 139 | 63 Ų | 63 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.6 | -38.8 | 174.1 | -172.5 | 176 | -177.5 | 175.6 | 0 | 112.8 | E11 Q12 A13 S17 E18 | E11-K15 WeakPolarHBondContact O-CB 3.43Å; E11-K15 PolarHBondContact O-N 2.97Å; Q12-K15 WeakPolarHBondContact O-CB 3.33Å; Q12-K15 PolarHBondContact O-N 3.5Å; A13-K15 VanDerWaalsContact C-N 3.28Å; A13-K15 PolarHBondContact O-N 2.58Å; K15-S17 PolarHBondContact O-N 3Å; K15-E18 VanDerWaalsContact O-CB 3.23Å; K15-E18 WeakPolarHBondContact O-CB 3.24Å; K15-E18 VanDerWaalsContact O-CG 3.28Å; K15-E18 WeakPolarHBondContact O-CG 3.43Å; K15-E18 PolarHBondContact O-N 3.44Å; K15-E18 VanDerWaalsContact O-N 3.11Å |
| 16 | E | 97.7 | Very high | 98 | Very high | 47 Ų | 47 | 57 Ų | 57 | 22% | 0.22 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.1 | -29.9 | 172.6 | -71.7 | 177.4 | -121.2 | 0 | 0 | 112.2 | R2 Q12 A13 I14 E18 T19 R20 L52 | R2-E16 IonicContact CZ-OE1 3.83Å; R2-E16 IonicContact NH1-OE1 2.66Å; R2-E16 PolarHBondContact NH1-OE1 3.3Å; R2-E16 IonicContact NH1-OE2 2.76Å; R2-E16 IonicContact NH2-OE1 2.79Å; R2-E16 PolarHBondContact NH2-OE1 3.11Å; R2-E16 IonicContact NH2-OE2 3.21Å; Q12-E16 PolarHBondContact O-N 3.05Å; A13-E16 WeakPolarHBondContact O-CB 3.45Å; A13-E16 PolarHBondContact O-N 3.13Å; A13-E16 VanDerWaalsContact O-N 3.13Å; I14-E16 VanDerWaalsContact C-N 3.34Å; I14-E16 PolarHBondContact O-N 3.42Å; E16-E18 PolarHBondContact O-N 3.17Å; E16-T19 PolarHBondContact O-N 3.42Å; E16-T19 VanDerWaalsContact O-N 3.16Å; E16-T19 PolarHBondContact O-OG1 3.16Å; E16-R20 PolarHBondContact O-N 2.95Å; E16-R20 IonicContact OE2-CZ 2.72Å; E16-R20 IonicContact OE2-NH2 3.88Å; E16-R20 PolarHBondContact OE2-NH2 2.94Å; E16-L52 HydrophobicContact CB-CD2 3.7Å |
| 17 | S | 97.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -10.5 | 176 | 87.5 | 0 | 0 | 0 | 0 | 114.2 | A13 I14 K15 T19 R20 G81 G82 | A13-S17 PolarHBondContact O-N 3.42Å; A13-S17 VanDerWaalsContact O-N 3.16Å; I14-S17 WeakPolarHBondContact O-CA 2.75Å; I14-S17 VanDerWaalsContact O-CB 3.24Å; I14-S17 WeakPolarHBondContact O-CB 3.34Å; I14-S17 PolarHBondContact O-N 3.14Å; I14-S17 PolarHBondContact O-OG 2.72Å; K15-S17 PolarHBondContact O-N 3Å; S17-T19 PolarHBondContact O-N 3.19Å; S17-R20 CarbonylContact C-O 3.51Å; S17-R20 WeakPolarHBondContact CA-O 3.28Å; S17-G81 PolarHBondContact O-N 3.33Å; S17-G82 PolarHBondContact O-N 3.25Å; S17-G82 WeakPolarHBondContact OG-CA 3.46Å; S17-G82 PolarHBondContact OG-N 2.87Å |
| 18 | E | 97.8 | Very high | 98.1 | Very high | 121 Ų | 121 | 52 Ų | 52 | 57% | 0.565 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -27.5 | 171.1 | -66.6 | 179.3 | 175 | 0 | 0 | 112.2 | K15 E16 | K15-E18 VanDerWaalsContact O-CB 3.23Å; K15-E18 WeakPolarHBondContact O-CB 3.24Å; K15-E18 VanDerWaalsContact O-CG 3.28Å; K15-E18 WeakPolarHBondContact O-CG 3.43Å; K15-E18 PolarHBondContact O-N 3.44Å; K15-E18 VanDerWaalsContact O-N 3.11Å; E16-E18 PolarHBondContact O-N 3.17Å |
| 19 | T | 96.4 | Very high | 98.1 | Very high | 129 Ų | 129 | 49.3 Ų | 49.3 | 79% | 0.791 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | -10.6 | -173.3 | 59.2 | 0 | 0 | 0 | 0 | 114.7 | E16 S17 | E16-T19 PolarHBondContact O-N 3.42Å; E16-T19 VanDerWaalsContact O-N 3.16Å; E16-T19 PolarHBondContact O-OG1 3.16Å; S17-T19 PolarHBondContact O-N 3.19Å |
| 20 | R | 96 | Very high | 98 | Very high | 95 Ų | 95 | 53.5 Ų | 53.5 | 36% | 0.358 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -152.3 | 157.5 | 174.9 | 56.7 | 178.1 | 174 | 169.5 | -0.6 | 111.1 | E16 S17 M22 L52 | E16-R20 PolarHBondContact O-N 2.95Å; E16-R20 IonicContact OE2-CZ 2.72Å; E16-R20 IonicContact OE2-NH2 3.88Å; E16-R20 PolarHBondContact OE2-NH2 2.94Å; S17-R20 CarbonylContact C-O 3.51Å; S17-R20 WeakPolarHBondContact CA-O 3.28Å; R20-M22 PolarHBondContact O-N 2.88Å; R20-L52 HydrophobicContact CG-CB 4.47Å |
| 21 | L | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | trans | -60.6 | 134 | 172.6 | 179.7 | 65 | 0 | 0 | 0 | 109.7 | I23 V51 L52 A78 K80 I100 | L21-I23 HydrophobicContact CD2-CD1 4.44Å; L21-I23 HydrophobicContact CG-CD1 4.36Å; L21-V51 HydrophobicContact CB-CG1 4.44Å; L21-V51 HydrophobicContact CB-CG2 4.36Å; L21-V51 HydrophobicContact CD2-CG1 4.25Å; L21-V51 HydrophobicContact CD2-CG2 4.04Å; L21-V51 HydrophobicContact CG-CG1 4.15Å; L21-V51 HydrophobicContact CG-CG2 4.49Å; L21-V51 WeakPolarHBondContact O-CA 3.36Å; L21-L52 PolarHBondContact O-N 2.81Å; L21-A78 HydrophobicContact CD1-CB 4.34Å; L21-K80 HydrophobicContact CD1-CB 4.29Å; L21-I100 HydrophobicContact CD2-CG2 4.23Å | ||
| 22 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.3 | 171.4 | 178.7 | -177.6 | 77.7 | 0 | 0 | 110.2 | A13 I14 R20 L52 V54 A78 F79 | A13-M22 VanDerWaalsContact C-SD 3.54Å; A13-M22 HydrophobicContact CB-SD 3.75Å; I14-M22 HydrophobicContact CG1-CE 3.91Å; R20-M22 PolarHBondContact O-N 2.88Å; M22-L52 CarbonylContact C-O 3.4Å; M22-L52 VanDerWaalsContact CA-O 3.23Å; M22-L52 WeakPolarHBondContact CA-O 3.49Å; M22-L52 HydrophobicContact CB-CB 4.12Å; M22-L52 HydrophobicContact CB-CD2 4.33Å; M22-L52 HydrophobicContact CB-CG 4.38Å; M22-L52 HydrophobicContact CG-CB 4.15Å; M22-L52 HydrophobicContact CG-CD2 4.01Å; M22-L52 HydrophobicContact CG-CG 3.94Å; M22-L52 WeakPolarHBondContact CG-O 3.5Å; M22-L52 HydrophobicContact SD-CD2 3.95Å; M22-L52 HydrophobicContact SD-CG 4.4Å; M22-V54 HydrophobicContact CG-CG2 4.07Å; M22-V54 HydrophobicContact SD-CB 4.46Å; M22-V54 HydrophobicContact SD-CG2 3.8Å; M22-A78 CarbonylContact O-C 3.5Å; M22-A78 WeakPolarHBondContact O-CA 3.38Å; M22-F79 HydrophobicContact CB-CB 4.27Å; M22-F79 HydrophobicContact CE-CB 3.82Å; M22-F79 HydrophobicContact CE-CD1 4.34Å; M22-F79 HydrophobicContact CE-CD2 3.43Å; M22-F79 VanDerWaalsContact CE-CD2 3.43Å; M22-F79 HydrophobicContact CE-CE2 4.01Å; M22-F79 HydrophobicContact CE-CG 3.62Å; M22-F79 PolarHBondContact N-O 3.23Å; M22-F79 PolarHBondContact O-N 2.76Å |
| 23 | I | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 121.4 | 170.4 | -56.7 | -57.2 | 0 | 0 | 0 | 108.1 | L21 V51 L52 F53 V54 F76 I77 A78 L96 M99 I100 | L21-I23 HydrophobicContact CD2-CD1 4.44Å; L21-I23 HydrophobicContact CG-CD1 4.36Å; I23-V51 HydrophobicContact CG1-CG1 3.7Å; I23-L52 PolarHBondContact N-O 3.28Å; I23-F53 HydrophobicContact CB-CD1 3.85Å; I23-F53 HydrophobicContact CB-CE1 3.99Å; I23-F53 HydrophobicContact CG1-CD1 4.28Å; I23-F53 HydrophobicContact CG1-CE1 3.92Å; I23-F53 HydrophobicContact CG2-CD1 4.22Å; I23-F53 HydrophobicContact CG2-CE1 4.34Å; I23-V54 PolarHBondContact O-N 2.9Å; I23-F76 HydrophobicContact CG2-CB 4.29Å; I23-F76 HydrophobicContact CG2-CD1 4.46Å; I23-I77 WeakPolarHBondContact CA-O 3.2Å; I23-A78 HydrophobicContact CD1-CB 3.86Å; I23-L96 HydrophobicContact CG2-CD1 3.95Å; I23-M99 HydrophobicContact CD1-CE 3.96Å; I23-I100 HydrophobicContact CD1-CD1 4.38Å; I23-I100 HydrophobicContact CD1-CG1 3.73Å; I23-I100 HydrophobicContact CG1-CD1 4Å; I23-I100 HydrophobicContact CG1-CG1 3.82Å |
| 24 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114 | 175.7 | -177 | 59.4 | 0 | 0 | 0 | 110.3 | L10 F26 V54 L56 F76 I77 F79 | L10-L24 HydrophobicContact CD1-CD1 4.24Å; L10-L24 HydrophobicContact CD1-CD2 3.72Å; L24-F26 HydrophobicContact CB-CE2 4.25Å; L24-F26 HydrophobicContact CD2-CD2 4.49Å; L24-F26 HydrophobicContact CD2-CE1 4.33Å; L24-F26 HydrophobicContact CD2-CE2 3.47Å; L24-F26 VanDerWaalsContact CD2-CE2 3.47Å; L24-F26 HydrophobicContact CD2-CZ 3.38Å; L24-F26 HydrophobicContact CG-CD2 4.15Å; L24-F26 HydrophobicContact CG-CE2 3.55Å; L24-F26 HydrophobicContact CG-CZ 3.91Å; L24-V54 CarbonylContact C-O 3.41Å; L24-V54 WeakPolarHBondContact CA-O 3.47Å; L24-V54 HydrophobicContact CD1-CB 3.87Å; L24-V54 HydrophobicContact CD1-CG1 3.67Å; L24-L56 HydrophobicContact CD1-CD2 4.02Å; L24-L56 HydrophobicContact CD1-CG 4.38Å; L24-L56 HydrophobicContact CD2-CD2 4.11Å; L24-L56 HydrophobicContact CG-CD2 4.37Å; L24-F76 CarbonylContact O-C 3.53Å; L24-F76 WeakPolarHBondContact O-CA 3.19Å; L24-I77 PolarHBondContact N-O 3.17Å; L24-I77 PolarHBondContact O-N 2.63Å; L24-F79 HydrophobicContact CB-CD2 4.33Å; L24-F79 HydrophobicContact CB-CE2 3.98Å; L24-F79 HydrophobicContact CD2-CE2 3.92Å; L24-F79 HydrophobicContact CD2-CZ 4.41Å |
| 25 | D | 98.8 | Very high | 97.9 | Very high | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.064 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 113.5 | 176.3 | 177.9 | 20.5 | 0 | 0 | 0 | 111.1 | V54 K55 L56 P74 F76 | D25-V54 PolarHBondContact N-O 2.89Å; D25-K55 HydrophobicContact CB-CB 4Å; D25-K55 CarbonylContact O-C 3.59Å; D25-K55 WeakPolarHBondContact O-CA 3.18Å; D25-K55 WeakPolarHBondContact O-CB 3.37Å; D25-L56 PolarHBondContact O-N 2.97Å; D25-P74 WeakPolarHBondContact OD1-CB 3.44Å; D25-F76 HydrophobicContact CB-CD1 3.81Å; D25-F76 HydrophobicContact CB-CE1 3.89Å; D25-F76 VanDerWaalsContact CG-CE1 3.47Å; D25-F76 WeakPolarHBondContact OD1-CE1 3.21Å |
| 26 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 111.7 | 172 | -66 | -98.4 | 0 | 0 | 0 | 109.3 | L24 L56 V58 Y68 I70 M73 P74 T75 I77 | L24-F26 HydrophobicContact CB-CE2 4.25Å; L24-F26 HydrophobicContact CD2-CD2 4.49Å; L24-F26 HydrophobicContact CD2-CE1 4.33Å; L24-F26 HydrophobicContact CD2-CE2 3.47Å; L24-F26 VanDerWaalsContact CD2-CE2 3.47Å; L24-F26 HydrophobicContact CD2-CZ 3.38Å; L24-F26 HydrophobicContact CG-CD2 4.15Å; L24-F26 HydrophobicContact CG-CE2 3.55Å; L24-F26 HydrophobicContact CG-CZ 3.91Å; F26-L56 HydrophobicContact CD1-CD1 3.39Å; F26-L56 HydrophobicContact CD1-CD2 3.99Å; F26-L56 HydrophobicContact CD1-CG 3.76Å; F26-L56 HydrophobicContact CE1-CD1 3.76Å; F26-L56 HydrophobicContact CE1-CD2 3.59Å; F26-L56 HydrophobicContact CE1-CG 3.92Å; F26-L56 HydrophobicContact CG-CD1 4.33Å; F26-L56 HydrophobicContact CG-CG 4.44Å; F26-L56 HydrophobicContact CZ-CD2 4.11Å; F26-V58 HydrophobicContact CB-CG1 3.95Å; F26-V58 HydrophobicContact CD1-CG1 4.16Å; F26-Y68 HydrophobicContact CE1-CD2 4.02Å; F26-Y68 AromaticContact CZ-CD2 3.52Å; F26-Y68 HydrophobicContact CZ-CD2 3.52Å; F26-Y68 HydrophobicContact CZ-CE2 4.32Å; F26-Y68 AromaticContact CZ-CG 3.82Å; F26-Y68 HydrophobicContact CZ-CG 3.82Å; F26-I70 HydrophobicContact CB-CD1 4.34Å; F26-I70 HydrophobicContact CB-CG1 4.36Å; F26-I70 HydrophobicContact CB-CG2 4Å; F26-I70 HydrophobicContact CD1-CB 4.48Å; F26-I70 HydrophobicContact CD1-CD1 3.86Å; F26-I70 HydrophobicContact CD1-CG1 3.49Å; F26-I70 VanDerWaalsContact CD1-CG1 3.49Å; F26-I70 HydrophobicContact CD1-CG2 4.5Å; F26-I70 HydrophobicContact CD2-CD1 3.63Å; F26-I70 HydrophobicContact CD2-CG1 4.23Å; F26-I70 HydrophobicContact CE1-CD1 3.96Å; F26-I70 HydrophobicContact CE1-CG1 3.66Å; F26-I70 HydrophobicContact CE2-CD1 3.77Å; F26-I70 HydrophobicContact CE2-CG1 4.4Å; F26-I70 HydrophobicContact CG-CD1 3.68Å; F26-I70 HydrophobicContact CG-CG1 3.77Å; F26-I70 HydrophobicContact CG-CG2 4.34Å; F26-I70 HydrophobicContact CZ-CD1 3.92Å; F26-I70 HydrophobicContact CZ-CG1 4.14Å; F26-M73 WeakPolarHBondContact O-CG 3.46Å; F26-P74 VanDerWaalsContact O-CA 3.3Å; F26-P74 WeakPolarHBondContact O-CA 3.23Å; F26-T75 WeakPolarHBondContact CD2-O 3.49Å; F26-T75 PolarHBondContact N-O 2.9Å; F26-T75 PolarHBondContact O-N 3.13Å; F26-I77 HydrophobicContact CD2-CD1 4.33Å; F26-I77 HydrophobicContact CD2-CG1 4.27Å; F26-I77 HydrophobicContact CE2-CB 4.24Å; F26-I77 HydrophobicContact CE2-CD1 3.55Å; F26-I77 HydrophobicContact CE2-CG1 3.78Å; F26-I77 HydrophobicContact CZ-CD1 4.13Å |
| 27 | F | 98.5 | Very high | 97.9 | Very high | 20 Ų | 20 | 51.2 Ų | 51.2 | 9% | 0.088 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 175.1 | -178.8 | 81.5 | -78.9 | 0 | 0 | 0 | 111.9 | E3 C34 K55 L56 N57 V58 | E3-F27 WeakPolarHBondContact OE1-CZ 3.31Å; F27-C34 HydrophobicContact CB-CB 4.28Å; F27-K55 HydrophobicContact CD1-CB 4.02Å; F27-K55 HydrophobicContact CD1-CD 4Å; F27-K55 HydrophobicContact CD1-CG 4.31Å; F27-K55 HydrophobicContact CE1-CB 4.16Å; F27-K55 HydrophobicContact CE1-CD 3.68Å; F27-K55 HydrophobicContact CE1-CG 3.99Å; F27-K55 HydrophobicContact CZ-CD 4.31Å; F27-L56 VanDerWaalsContact CD1-C 3.46Å; F27-L56 WeakPolarHBondContact CD1-O 3.39Å; F27-L56 WeakPolarHBondContact CE1-O 3.3Å; F27-L56 PolarHBondContact N-O 3.42Å; F27-N57 HydrophobicContact CE1-CB 3.88Å; F27-N57 HydrophobicContact CE2-CB 4.18Å; F27-N57 HydrophobicContact CZ-CB 3.65Å; F27-N57 WeakPolarHBondContact O-CA 3.35Å; F27-V58 PolarHBondContact O-N 3.02Å |
| 28 | A | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | trans | -143.4 | 153.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | W30 C31 V58 M73 | A28-W30 HydrophobicContact CB-CD2 3.98Å; A28-W30 HydrophobicContact CB-CG 4.3Å; A28-W30 HydrophobicContact CB-CZ2 3.87Å; A28-W30 PolarHBondContact O-N 3.3Å; A28-C31 HydrophobicContact CB-CB 4.17Å; A28-C31 WeakPolarHBondContact O-CB 3.34Å; A28-C31 PolarHBondContact O-N 3.11Å; A28-V58 HydrophobicContact CB-CG2 3.99Å; A28-M73 HydrophobicContact CB-CE 4.01Å | ||
| 29 | D | 97.7 | Very high | 97.7 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.7 | -178.7 | -73.1 | -46.8 | 0 | 0 | 0 | 113.5 | C31 K35 N57 | D29-C31 VanDerWaalsContact C-N 3.34Å; D29-K35 WeakPolarHBondContact O-CE 3.32Å; D29-K35 PolarHBondContact O-NZ 3.33Å; D29-N57 PolarHBondContact OD2-ND2 2.94Å |
| 30 | W | 96.9 | Very high | 97.8 | Very high | 168 Ų | 168 | 49.2 Ų | 49.2 | 64% | 0.636 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -4.4 | 175.1 | 53 | -97.9 | 0 | 0 | 0 | 112.9 | A28 G32 D59 M73 | A28-W30 HydrophobicContact CB-CD2 3.98Å; A28-W30 HydrophobicContact CB-CG 4.3Å; A28-W30 HydrophobicContact CB-CZ2 3.87Å; A28-W30 PolarHBondContact O-N 3.3Å; W30-G32 PolarHBondContact O-N 2.96Å; W30-D59 VanDerWaalsContact CD1-OD2 3.29Å; W30-D59 PolarHBondContact NE1-OD2 2.72Å; W30-M73 HydrophobicContact CH2-CE 3.12Å; W30-M73 HydrophobicContact CZ2-CE 3.3Å; W30-M73 HydrophobicContact CZ3-CE 4.07Å |
| 31 | C | 97.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | trans | -73.9 | 96.8 | -178.4 | 176.6 | 0 | 0 | 0 | 0 | 112 | A28 D29 C34 K35 M73 | A28-C31 HydrophobicContact CB-CB 4.17Å; A28-C31 WeakPolarHBondContact O-CB 3.34Å; A28-C31 PolarHBondContact O-N 3.11Å; D29-C31 VanDerWaalsContact C-N 3.34Å; C31-C34 HydrophobicContact CB-CB 3.67Å; C31-C34 WeakPolarHBondContact CB-SG 3.41Å; C31-C34 WeakPolarHBondContact O-CB 3.44Å; C31-C34 PolarHBondContact O-N 2.94Å; C31-C34 WeakPolarHBondContact SG-CB 3.47Å; C31-C34 PolarHBondContact SG-N 3.38Å; C31-C34 CovalentContact SG-SG 2.05Å; C31-C34 PolarHBondContact SG-SG 2.87Å; C31-K35 PolarHBondContact O-N 2.93Å; C31-M73 HydrophobicContact CB-CB 4.27Å; C31-M73 VanDerWaalsContact SG-C 3.57Å; C31-M73 PolarHBondContact SG-O 2.78Å; C31-M73 VanDerWaalsContact SG-O 3.41Å | ||
| 32 | G | 97.7 | Very high | 97.8 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 33% | 0.33 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -54.5 | -47.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | W30 C34 K35 R36 | W30-G32 PolarHBondContact O-N 2.96Å; G32-C34 VanDerWaalsContact C-N 3.34Å; G32-C34 PolarHBondContact O-N 3.49Å; G32-K35 PolarHBondContact O-N 3.41Å; G32-R36 WeakPolarHBondContact O-CG 3.49Å; G32-R36 PolarHBondContact O-N 3.32Å; G32-R36 VanDerWaalsContact O-N 3.1Å |
| 33 | P | 98.3 | Very high | 97.7 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 175.8 | -25.2 | 34.2 | 0 | 0 | 0 | 113.9 | K35 R36 V37 A91 | P33-K35 PolarHBondContact O-N 3.35Å; P33-R36 PolarHBondContact O-N 3.45Å; P33-R36 VanDerWaalsContact O-N 3.15Å; P33-V37 PolarHBondContact O-N 2.9Å; P33-V37 VanDerWaalsContact O-N 3.15Å; P33-A91 HydrophobicContact CB-CB 3.79Å |
| 34 | C | 98 | Very high | 97.7 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 10% | 0.095 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 177.4 | -52.8 | 0 | 0 | 0 | 0 | 110.7 | F27 C31 G32 R36 V37 A38 P74 | F27-C34 HydrophobicContact CB-CB 4.28Å; C31-C34 HydrophobicContact CB-CB 3.67Å; C31-C34 WeakPolarHBondContact CB-SG 3.41Å; C31-C34 WeakPolarHBondContact O-CB 3.44Å; C31-C34 PolarHBondContact O-N 2.94Å; C31-C34 WeakPolarHBondContact SG-CB 3.47Å; C31-C34 PolarHBondContact SG-N 3.38Å; C31-C34 CovalentContact SG-SG 2.05Å; C31-C34 PolarHBondContact SG-SG 2.87Å; G32-C34 VanDerWaalsContact C-N 3.34Å; G32-C34 PolarHBondContact O-N 3.49Å; C34-R36 VanDerWaalsContact C-N 3.29Å; C34-R36 PolarHBondContact O-N 2.92Å; C34-V37 WeakPolarHBondContact O-CG2 3.44Å; C34-V37 PolarHBondContact O-N 3.43Å; C34-A38 PolarHBondContact O-N 3.14Å; C34-P74 VanDerWaalsContact SG-CD 3.58Å; C34-P74 VanDerWaalsContact SG-N 3.4Å |
| 35 | K | 97.4 | Very high | 97.6 | Very high | 137 Ų | 137 | 54.6 Ų | 54.6 | 60% | 0.596 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.2 | -36.3 | 176.4 | -67.6 | -180 | -178.2 | 173.7 | 0 | 113.1 | D29 C31 G32 P33 | D29-K35 WeakPolarHBondContact O-CE 3.32Å; D29-K35 PolarHBondContact O-NZ 3.33Å; C31-K35 PolarHBondContact O-N 2.93Å; G32-K35 PolarHBondContact O-N 3.41Å; P33-K35 PolarHBondContact O-N 3.35Å |
| 36 | R | 97.5 | Very high | 97.5 | Very high | 175 Ų | 175 | 60.9 Ų | 60.9 | 66% | 0.66 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.1 | -38.2 | 179.5 | -72.4 | -165.1 | -55 | -92.3 | 3.3 | 112.6 | G32 P33 C34 | G32-R36 WeakPolarHBondContact O-CG 3.49Å; G32-R36 PolarHBondContact O-N 3.32Å; G32-R36 VanDerWaalsContact O-N 3.1Å; P33-R36 PolarHBondContact O-N 3.45Å; P33-R36 VanDerWaalsContact O-N 3.15Å; C34-R36 VanDerWaalsContact C-N 3.29Å; C34-R36 PolarHBondContact O-N 2.92Å |
| 37 | V | 97.3 | Very high | 97.4 | Very high | 17 Ų | 17 | 66 Ų | 66 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -86.8 | -17.3 | -177.7 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | P33 C34 P39 E40 L41 P74 A91 L93 | P33-V37 PolarHBondContact O-N 2.9Å; P33-V37 VanDerWaalsContact O-N 3.15Å; C34-V37 WeakPolarHBondContact O-CG2 3.44Å; C34-V37 PolarHBondContact O-N 3.43Å; V37-P39 VanDerWaalsContact C-CD 3.49Å; V37-E40 PolarHBondContact O-N 3.12Å; V37-L41 WeakPolarHBondContact O-CB 3.35Å; V37-L41 PolarHBondContact O-N 3.37Å; V37-P74 HydrophobicContact CG2-CG 4.41Å; V37-A91 HydrophobicContact CG1-CB 3.62Å; V37-A91 HydrophobicContact CG2-CB 4.49Å; V37-L93 HydrophobicContact CB-CD1 4.02Å; V37-L93 HydrophobicContact CB-CD2 4.13Å; V37-L93 HydrophobicContact CB-CG 4.15Å; V37-L93 HydrophobicContact CG1-CD1 4.23Å; V37-L93 HydrophobicContact CG1-CD2 4.48Å; V37-L93 HydrophobicContact CG1-CG 4.12Å |
| 38 | A | 95.9 | Very high | 97.3 | Very high | 39 Ų | 39 | 66 Ų | 66 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -46.7 | -47.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C34 E40 L41 D42 | C34-A38 PolarHBondContact O-N 3.14Å; A38-E40 VanDerWaalsContact C-N 3.34Å; A38-E40 PolarHBondContact O-N 3Å; A38-L41 PolarHBondContact O-N 2.79Å; A38-D42 VanDerWaalsContact O-CG 3.32Å; A38-D42 PolarHBondContact O-N 2.66Å |
| 39 | P | 96.6 | Very high | 97.2 | Very high | 79 Ų | 79 | 73.9 Ų | 73.9 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.2 | -32.6 | -179.4 | -21.7 | 34.2 | 0 | 0 | 0 | 114.6 | V37 | V37-P39 VanDerWaalsContact C-CD 3.49Å |
| 40 | E | 97.3 | Very high | 97.1 | Very high | 90 Ų | 90 | 73.2 Ų | 73.2 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -82.7 | -31 | 176.6 | -71.4 | -65 | 135.6 | 0 | 0 | 111.3 | V37 A38 D42 K43 I44 L93 | V37-E40 PolarHBondContact O-N 3.12Å; A38-E40 VanDerWaalsContact C-N 3.34Å; A38-E40 PolarHBondContact O-N 3Å; E40-D42 VanDerWaalsContact C-N 3.34Å; E40-K43 WeakPolarHBondContact O-CB 3.19Å; E40-K43 PolarHBondContact O-N 3.45Å; E40-K43 IonicContact OE1-NZ 3.56Å; E40-K43 PolarHBondContact OE1-NZ 2.68Å; E40-K43 IonicContact OE2-NZ 2.71Å; E40-I44 PolarHBondContact O-N 3.06Å; E40-L93 HydrophobicContact CB-CD1 3.33Å; E40-L93 HydrophobicContact CG-CD1 4.36Å |
| 41 | L | 97.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 65.6 Ų | 65.6 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 172.9 | -175.7 | 59.4 | 0 | 0 | 0 | 111.6 | M1 V37 A38 K43 I44 C45 F76 L93 L96 | M1-L41 HydrophobicContact CE-CD1 4.28Å; M1-L41 HydrophobicContact CE-CD2 3.72Å; M1-L41 HydrophobicContact CE-CG 3.67Å; V37-L41 WeakPolarHBondContact O-CB 3.35Å; V37-L41 PolarHBondContact O-N 3.37Å; A38-L41 PolarHBondContact O-N 2.79Å; L41-K43 VanDerWaalsContact C-N 3.35Å; L41-I44 HydrophobicContact CD1-CG2 4.22Å; L41-I44 WeakPolarHBondContact O-CB 3.33Å; L41-I44 PolarHBondContact O-N 2.83Å; L41-C45 PolarHBondContact O-N 3.36Å; L41-C45 PolarHBondContact O-SG 2.85Å; L41-F76 HydrophobicContact CD1-CE1 4.18Å; L41-F76 HydrophobicContact CD2-CE1 3.85Å; L41-F76 HydrophobicContact CD2-CZ 4.33Å; L41-L93 HydrophobicContact CB-CD2 4.49Å; L41-L93 HydrophobicContact CD1-CD2 4.35Å; L41-L96 HydrophobicContact CD1-CD2 3.54Å |
| 42 | D | 97 | Very high | 97.2 | Very high | 85 Ų | 85 | 66 Ų | 66 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 173 | -73.4 | -28.6 | 0 | 0 | 0 | 111.3 | A38 E40 I44 C45 E46 | A38-D42 VanDerWaalsContact O-CG 3.32Å; A38-D42 PolarHBondContact O-N 2.66Å; E40-D42 VanDerWaalsContact C-N 3.34Å; D42-I44 VanDerWaalsContact C-N 3.34Å; D42-I44 PolarHBondContact O-N 2.83Å; D42-C45 WeakPolarHBondContact O-CB 3.42Å; D42-C45 PolarHBondContact O-N 2.84Å; D42-C45 VanDerWaalsContact O-N 3.13Å; D42-E46 WeakPolarHBondContact O-CG 3.34Å; D42-E46 PolarHBondContact O-N 3.18Å |
| 43 | K | 97.7 | Very high | 97.2 | Very high | 106 Ų | 106 | 65.1 Ų | 65.1 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 174.6 | -65.1 | 173.9 | -173.5 | 172.8 | 0 | 112.5 | E40 L41 C45 E46 E47 | E40-K43 WeakPolarHBondContact O-CB 3.19Å; E40-K43 PolarHBondContact O-N 3.45Å; E40-K43 IonicContact OE1-NZ 3.56Å; E40-K43 PolarHBondContact OE1-NZ 2.68Å; E40-K43 IonicContact OE2-NZ 2.71Å; L41-K43 VanDerWaalsContact C-N 3.35Å; K43-C45 VanDerWaalsContact C-N 3.27Å; K43-C45 PolarHBondContact O-N 2.81Å; K43-E46 PolarHBondContact O-N 3.15Å; K43-E47 WeakPolarHBondContact O-CB 3.49Å; K43-E47 PolarHBondContact O-N 2.83Å |
| 44 | I | 97.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.7 | -41.2 | 173.9 | -83.2 | 169.1 | 0 | 0 | 0 | 110.8 | E40 L41 D42 E47 W48 F53 L93 L96 R97 I100 | E40-I44 PolarHBondContact O-N 3.06Å; L41-I44 HydrophobicContact CD1-CG2 4.22Å; L41-I44 WeakPolarHBondContact O-CB 3.33Å; L41-I44 PolarHBondContact O-N 2.83Å; D42-I44 VanDerWaalsContact C-N 3.34Å; D42-I44 PolarHBondContact O-N 2.83Å; I44-E47 PolarHBondContact O-N 2.85Å; I44-W48 HydrophobicContact CB-CE3 4.45Å; I44-W48 HydrophobicContact CB-CZ3 4.31Å; I44-W48 HydrophobicContact CG1-CZ3 4.18Å; I44-W48 HydrophobicContact CG2-CE3 3.6Å; I44-W48 HydrophobicContact CG2-CZ3 3.54Å; I44-W48 PolarHBondContact O-N 3.47Å; I44-F53 HydrophobicContact CG2-CE1 3.88Å; I44-F53 HydrophobicContact CG2-CZ 3.93Å; I44-L93 HydrophobicContact CD1-CB 4.16Å; I44-L93 HydrophobicContact CD1-CD1 4.31Å; I44-L93 HydrophobicContact CD1-CD2 4.08Å; I44-L93 HydrophobicContact CD1-CG 4.42Å; I44-L96 HydrophobicContact CD1-CD2 4.46Å; I44-R97 HydrophobicContact CD1-CG 3.96Å; I44-R97 HydrophobicContact CG1-CG 4.35Å; I44-I100 HydrophobicContact CG2-CD1 4.3Å |
| 45 | C | 97.3 | Very high | 97.3 | Very high | 19 Ų | 19 | 64.9 Ų | 64.9 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 176.9 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | M1 L41 D42 K43 F53 | M1-C45 WeakPolarHBondContact CE-SG 3.23Å; L41-C45 PolarHBondContact O-N 3.36Å; L41-C45 PolarHBondContact O-SG 2.85Å; D42-C45 WeakPolarHBondContact O-CB 3.42Å; D42-C45 PolarHBondContact O-N 2.84Å; D42-C45 VanDerWaalsContact O-N 3.13Å; K43-C45 VanDerWaalsContact C-N 3.27Å; K43-C45 PolarHBondContact O-N 2.81Å; C45-F53 HydrophobicContact CB-CD2 3.97Å; C45-F53 HydrophobicContact CB-CE2 4.35Å; C45-F53 HydrophobicContact CB-CG 4.23Å; C45-F53 WeakPolarHBondContact SG-CG 3.47Å |
| 46 | E | 96.7 | Very high | 97.3 | Very high | 145 Ų | 145 | 58.3 Ų | 58.3 | 68% | 0.678 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.8 | -34.3 | 177.4 | -68.8 | 175.8 | 175.1 | 0 | 0 | 112.4 | D42 K43 W48 E49 | D42-E46 WeakPolarHBondContact O-CG 3.34Å; D42-E46 PolarHBondContact O-N 3.18Å; K43-E46 PolarHBondContact O-N 3.15Å; E46-W48 VanDerWaalsContact C-N 3.34Å; E46-E49 WeakPolarHBondContact O-CG 3.33Å |
| 47 | E | 96.9 | Very high | 97.4 | Very high | 108 Ų | 108 | 50.3 Ų | 50.3 | 51% | 0.505 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70.5 | -30.9 | 179.3 | -170.9 | -177.4 | 150.7 | 0 | 0 | 112.8 | K43 I44 R97 | K43-E47 WeakPolarHBondContact O-CB 3.49Å; K43-E47 PolarHBondContact O-N 2.83Å; I44-E47 PolarHBondContact O-N 2.85Å; E47-R97 VanDerWaalsContact CD-NH1 3.26Å; E47-R97 IonicContact OE1-NH1 3.77Å; E47-R97 PolarHBondContact OE1-NH1 3.06Å; E47-R97 VanDerWaalsContact OE1-NH1 3.14Å; E47-R97 IonicContact OE2-CZ 3.14Å; E47-R97 IonicContact OE2-NH1 3.35Å; E47-R97 PolarHBondContact OE2-NH1 3.15Å; E47-R97 IonicContact OE2-NH2 3.06Å; E47-R97 PolarHBondContact OE2-NH2 3.31Å |
| 48 | W | 96.3 | Very high | 97.4 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 63.7 | -174.2 | -62.4 | -35.5 | 0 | 0 | 0 | 112.4 | I44 E46 D50 V51 F53 R97 I100 | I44-W48 HydrophobicContact CB-CE3 4.45Å; I44-W48 HydrophobicContact CB-CZ3 4.31Å; I44-W48 HydrophobicContact CG1-CZ3 4.18Å; I44-W48 HydrophobicContact CG2-CE3 3.6Å; I44-W48 HydrophobicContact CG2-CZ3 3.54Å; I44-W48 PolarHBondContact O-N 3.47Å; E46-W48 VanDerWaalsContact C-N 3.34Å; W48-D50 PolarHBondContact O-N 3.46Å; W48-D50 VanDerWaalsContact O-N 3.11Å; W48-V51 HydrophobicContact CB-CB 4.18Å; W48-V51 HydrophobicContact CB-CG2 3.98Å; W48-V51 WeakPolarHBondContact O-CB 3.48Å; W48-V51 PolarHBondContact O-N 3.45Å; W48-F53 HydrophobicContact CB-CE2 4.09Å; W48-F53 HydrophobicContact CB-CZ 4.23Å; W48-F53 HydrophobicContact CE3-CZ 4.07Å; W48-R97 HydrophobicContact CH2-CB 3.61Å; W48-R97 HydrophobicContact CH2-CG 3.49Å; W48-R97 VanDerWaalsContact CH2-CG 3.49Å; W48-R97 VanDerWaalsContact CZ2-NH1 3.35Å; W48-R97 HydrophobicContact CZ3-CB 4.41Å; W48-R97 HydrophobicContact CZ3-CG 4.03Å; W48-I100 HydrophobicContact CD2-CG2 3.72Å; W48-I100 HydrophobicContact CE3-CB 4.13Å; W48-I100 HydrophobicContact CE3-CD1 3.51Å; W48-I100 HydrophobicContact CE3-CG1 4.35Å; W48-I100 HydrophobicContact CE3-CG2 3.61Å; W48-I100 HydrophobicContact CG-CG2 4.27Å; W48-I100 HydrophobicContact CH2-CB 4.16Å; W48-I100 HydrophobicContact CH2-CD1 4.27Å; W48-I100 HydrophobicContact CH2-CG2 4.17Å; W48-I100 HydrophobicContact CZ2-CG2 4.33Å; W48-I100 HydrophobicContact CZ3-CB 3.89Å; W48-I100 HydrophobicContact CZ3-CD1 3.27Å; W48-I100 HydrophobicContact CZ3-CG1 4.17Å; W48-I100 HydrophobicContact CZ3-CG2 3.87Å |
| 49 | E | 95.4 | Very high | 97.5 | Very high | 168 Ų | 168 | 51.7 Ų | 51.7 | 79% | 0.785 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.3 | -179.4 | -58.3 | -172.8 | 152 | 0 | 0 | 114.3 | E46 V51 | E46-E49 WeakPolarHBondContact O-CG 3.33Å; E49-V51 VanDerWaalsContact C-N 3.31Å |
| 50 | D | 95.7 | Very high | 97.6 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.9 | 177.1 | 64.9 | -46.1 | 0 | 0 | 0 | 113.7 | W48 K104 | W48-D50 PolarHBondContact O-N 3.46Å; W48-D50 VanDerWaalsContact O-N 3.11Å; D50-K104 VanDerWaalsContact CG-CE 3.44Å; D50-K104 VanDerWaalsContact CG-NZ 3.32Å; D50-K104 WeakPolarHBondContact OD1-CE 3.46Å; D50-K104 IonicContact OD1-NZ 2.72Å; D50-K104 PolarHBondContact OD1-NZ 3.04Å; D50-K104 WeakPolarHBondContact OD2-CE 2.95Å; D50-K104 IonicContact OD2-NZ 3.14Å; D50-K104 PolarHBondContact OD2-NZ 2.72Å; D50-K104 VanDerWaalsContact OD2-NZ 3.14Å |
| 51 | V | 98.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -96.6 | 132.1 | 174.1 | 180 | 0 | 0 | 0 | 0 | 109.6 | L21 I23 W48 E49 F53 I100 | L21-V51 HydrophobicContact CB-CG1 4.44Å; L21-V51 HydrophobicContact CB-CG2 4.36Å; L21-V51 HydrophobicContact CD2-CG1 4.25Å; L21-V51 HydrophobicContact CD2-CG2 4.04Å; L21-V51 HydrophobicContact CG-CG1 4.15Å; L21-V51 HydrophobicContact CG-CG2 4.49Å; L21-V51 WeakPolarHBondContact O-CA 3.36Å; I23-V51 HydrophobicContact CG1-CG1 3.7Å; W48-V51 HydrophobicContact CB-CB 4.18Å; W48-V51 HydrophobicContact CB-CG2 3.98Å; W48-V51 WeakPolarHBondContact O-CB 3.48Å; W48-V51 PolarHBondContact O-N 3.45Å; E49-V51 VanDerWaalsContact C-N 3.31Å; V51-F53 HydrophobicContact CB-CD2 4.35Å; V51-F53 HydrophobicContact CB-CE2 3.66Å; V51-F53 HydrophobicContact CB-CZ 3.99Å; V51-F53 HydrophobicContact CG1-CD2 4.25Å; V51-F53 HydrophobicContact CG1-CE1 4.27Å; V51-F53 HydrophobicContact CG1-CE2 3.74Å; V51-F53 HydrophobicContact CG1-CZ 3.73Å; V51-F53 WeakPolarHBondContact O-CD2 3.24Å; V51-F53 PolarHBondContact O-N 3.24Å; V51-I100 HydrophobicContact CG2-CG2 4.11Å |
| 52 | L | 98.1 | Very high | 97.6 | Very high | 14 Ų | 14 | 56.9 Ų | 56.9 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 108.2 | 174.7 | 174.7 | 56.5 | 0 | 0 | 0 | 110 | E16 R20 L21 M22 I23 V54 | E16-L52 HydrophobicContact CB-CD2 3.7Å; R20-L52 HydrophobicContact CG-CB 4.47Å; L21-L52 PolarHBondContact O-N 2.81Å; M22-L52 CarbonylContact C-O 3.4Å; M22-L52 VanDerWaalsContact CA-O 3.23Å; M22-L52 WeakPolarHBondContact CA-O 3.49Å; M22-L52 HydrophobicContact CB-CB 4.12Å; M22-L52 HydrophobicContact CB-CD2 4.33Å; M22-L52 HydrophobicContact CB-CG 4.38Å; M22-L52 HydrophobicContact CG-CB 4.15Å; M22-L52 HydrophobicContact CG-CD2 4.01Å; M22-L52 HydrophobicContact CG-CG 3.94Å; M22-L52 WeakPolarHBondContact CG-O 3.5Å; M22-L52 HydrophobicContact SD-CD2 3.95Å; M22-L52 HydrophobicContact SD-CG 4.4Å; I23-L52 PolarHBondContact N-O 3.28Å; L52-V54 HydrophobicContact CD1-CG2 3.99Å; L52-V54 HydrophobicContact CD2-CG2 4.19Å; L52-V54 HydrophobicContact CG-CG2 3.78Å |
| 53 | F | 98.7 | Very high | 97.6 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 6% | 0.057 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.3 | 172.3 | -65.6 | -88 | 0 | 0 | 0 | 111.2 | M1 R2 I23 I44 C45 W48 V51 I100 | M1-F53 HydrophobicContact CB-CB 4.4Å; M1-F53 HydrophobicContact CE-CB 4.22Å; M1-F53 HydrophobicContact CG-CB 4.06Å; R2-F53 PolarHBondContact N-O 3.05Å; I23-F53 HydrophobicContact CB-CD1 3.85Å; I23-F53 HydrophobicContact CB-CE1 3.99Å; I23-F53 HydrophobicContact CG1-CD1 4.28Å; I23-F53 HydrophobicContact CG1-CE1 3.92Å; I23-F53 HydrophobicContact CG2-CD1 4.22Å; I23-F53 HydrophobicContact CG2-CE1 4.34Å; I44-F53 HydrophobicContact CG2-CE1 3.88Å; I44-F53 HydrophobicContact CG2-CZ 3.93Å; C45-F53 HydrophobicContact CB-CD2 3.97Å; C45-F53 HydrophobicContact CB-CE2 4.35Å; C45-F53 HydrophobicContact CB-CG 4.23Å; C45-F53 WeakPolarHBondContact SG-CG 3.47Å; W48-F53 HydrophobicContact CB-CE2 4.09Å; W48-F53 HydrophobicContact CB-CZ 4.23Å; W48-F53 HydrophobicContact CE3-CZ 4.07Å; V51-F53 HydrophobicContact CB-CD2 4.35Å; V51-F53 HydrophobicContact CB-CE2 3.66Å; V51-F53 HydrophobicContact CB-CZ 3.99Å; V51-F53 HydrophobicContact CG1-CD2 4.25Å; V51-F53 HydrophobicContact CG1-CE1 4.27Å; V51-F53 HydrophobicContact CG1-CE2 3.74Å; V51-F53 HydrophobicContact CG1-CZ 3.73Å; V51-F53 WeakPolarHBondContact O-CD2 3.24Å; V51-F53 PolarHBondContact O-N 3.24Å; F53-I100 HydrophobicContact CE1-CD1 3.84Å; F53-I100 HydrophobicContact CZ-CD1 3.96Å |
| 54 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.1 | 177 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | R2 V4 A13 M22 I23 L24 D25 L52 | R2-V54 CarbonylContact O-C 3.54Å; R2-V54 WeakPolarHBondContact O-CA 3.43Å; V4-V54 HydrophobicContact CB-CG1 4.31Å; V4-V54 HydrophobicContact CG1-CG1 3.62Å; V4-V54 HydrophobicContact CG2-CG1 3.78Å; A13-V54 HydrophobicContact CB-CG2 4.14Å; M22-V54 HydrophobicContact CG-CG2 4.07Å; M22-V54 HydrophobicContact SD-CB 4.46Å; M22-V54 HydrophobicContact SD-CG2 3.8Å; I23-V54 PolarHBondContact O-N 2.9Å; L24-V54 CarbonylContact C-O 3.41Å; L24-V54 WeakPolarHBondContact CA-O 3.47Å; L24-V54 HydrophobicContact CD1-CB 3.87Å; L24-V54 HydrophobicContact CD1-CG1 3.67Å; D25-V54 PolarHBondContact N-O 2.89Å; L52-V54 HydrophobicContact CD1-CG2 3.99Å; L52-V54 HydrophobicContact CD2-CG2 4.19Å; L52-V54 HydrophobicContact CG-CG2 3.78Å |
| 55 | K | 98.6 | Very high | 97.6 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 21% | 0.213 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 153.7 | 168.7 | 65.8 | 170.8 | -171 | 130.8 | 0 | 111.4 | M1 R2 E3 V4 D25 F27 | M1-K55 HydrophobicContact CG-CB 4.31Å; M1-K55 HydrophobicContact CG-CD 4.46Å; M1-K55 HydrophobicContact CG-CG 4.11Å; M1-K55 HydrophobicContact SD-CB 3.71Å; M1-K55 HydrophobicContact SD-CD 3.79Å; M1-K55 HydrophobicContact SD-CG 3.82Å; R2-K55 PolarHBondContact O-N 3.44Å; E3-K55 WeakPolarHBondContact CA-O 3.47Å; E3-K55 HydrophobicContact CB-CG 4.1Å; E3-K55 VanDerWaalsContact CD-NZ 3.29Å; E3-K55 HydrophobicContact CG-CG 4.18Å; E3-K55 IonicContact OE1-NZ 3.99Å; E3-K55 WeakPolarHBondContact OE2-CE 3.39Å; E3-K55 IonicContact OE2-NZ 2.68Å; E3-K55 PolarHBondContact OE2-NZ 2.97Å; V4-K55 PolarHBondContact N-O 3.13Å; D25-K55 HydrophobicContact CB-CB 4Å; D25-K55 CarbonylContact O-C 3.59Å; D25-K55 WeakPolarHBondContact O-CA 3.18Å; D25-K55 WeakPolarHBondContact O-CB 3.37Å; F27-K55 HydrophobicContact CD1-CB 4.02Å; F27-K55 HydrophobicContact CD1-CD 4Å; F27-K55 HydrophobicContact CD1-CG 4.31Å; F27-K55 HydrophobicContact CE1-CB 4.16Å; F27-K55 HydrophobicContact CE1-CD 3.68Å; F27-K55 HydrophobicContact CE1-CG 3.99Å; F27-K55 HydrophobicContact CZ-CD 4.31Å |
| 56 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 145.1 | 169.9 | 71.6 | 81.4 | 0 | 0 | 0 | 110.5 | V4 L10 L24 D25 F26 F27 V58 L61 A64 | V4-L56 HydrophobicContact CG2-CB 3.82Å; V4-L56 HydrophobicContact CG2-CD2 4.43Å; L10-L56 HydrophobicContact CD1-CD2 4.34Å; L10-L56 HydrophobicContact CD2-CD2 4.09Å; L24-L56 HydrophobicContact CD1-CD2 4.02Å; L24-L56 HydrophobicContact CD1-CG 4.38Å; L24-L56 HydrophobicContact CD2-CD2 4.11Å; L24-L56 HydrophobicContact CG-CD2 4.37Å; D25-L56 PolarHBondContact O-N 2.97Å; F26-L56 HydrophobicContact CD1-CD1 3.39Å; F26-L56 HydrophobicContact CD1-CD2 3.99Å; F26-L56 HydrophobicContact CD1-CG 3.76Å; F26-L56 HydrophobicContact CE1-CD1 3.76Å; F26-L56 HydrophobicContact CE1-CD2 3.59Å; F26-L56 HydrophobicContact CE1-CG 3.92Å; F26-L56 HydrophobicContact CG-CD1 4.33Å; F26-L56 HydrophobicContact CG-CG 4.44Å; F26-L56 HydrophobicContact CZ-CD2 4.11Å; F27-L56 VanDerWaalsContact CD1-C 3.46Å; F27-L56 WeakPolarHBondContact CD1-O 3.39Å; F27-L56 WeakPolarHBondContact CE1-O 3.3Å; F27-L56 PolarHBondContact N-O 3.42Å; L56-V58 HydrophobicContact CD1-CG1 4.4Å; L56-L61 HydrophobicContact CD2-CD2 4.36Å; L56-A64 HydrophobicContact CD2-CB 4.08Å |
| 57 | N | 98.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.032 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 122 | 174.2 | -172.3 | -22.1 | 0 | 0 | 0 | 108.6 | F27 D29 D59 E60 L61 | F27-N57 HydrophobicContact CE1-CB 3.88Å; F27-N57 HydrophobicContact CE2-CB 4.18Å; F27-N57 HydrophobicContact CZ-CB 3.65Å; F27-N57 WeakPolarHBondContact O-CA 3.35Å; D29-N57 PolarHBondContact OD2-ND2 2.94Å; N57-D59 PolarHBondContact O-N 3.47Å; N57-D59 PolarHBondContact OD1-N 2.76Å; N57-E60 HydrophobicContact CB-CB 4.08Å; N57-E60 HydrophobicContact CB-CG 3.9Å; N57-E60 PolarHBondContact O-N 3.44Å; N57-E60 VanDerWaalsContact O-N 3.11Å; N57-L61 PolarHBondContact O-N 3.49Å |
| 58 | V | 98.4 | Very high | 97.6 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.5 | -178.3 | -59.7 | 0 | 0 | 0 | 0 | 113.1 | F26 F27 A28 L56 E62 A65 I70 M73 | F26-V58 HydrophobicContact CB-CG1 3.95Å; F26-V58 HydrophobicContact CD1-CG1 4.16Å; F27-V58 PolarHBondContact O-N 3.02Å; A28-V58 HydrophobicContact CB-CG2 3.99Å; L56-V58 HydrophobicContact CD1-CG1 4.4Å; V58-E62 WeakPolarHBondContact O-CA 3.47Å; V58-E62 PolarHBondContact O-N 3.42Å; V58-A65 HydrophobicContact CB-CB 3.88Å; V58-A65 HydrophobicContact CG1-CB 3.96Å; V58-I70 HydrophobicContact CG1-CG2 4.17Å; V58-M73 HydrophobicContact CG1-CG 4.14Å; V58-M73 HydrophobicContact CG1-SD 4.19Å; V58-M73 HydrophobicContact CG2-CE 3.7Å; V58-M73 HydrophobicContact CG2-CG 4.35Å; V58-M73 HydrophobicContact CG2-SD 4.01Å |
| 59 | D | 97.6 | Very high | 97.7 | Very high | 72 Ų | 72 | 55.8 Ų | 55.8 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -23.7 | 177.8 | -60.7 | -36.7 | 0 | 0 | 0 | 111.7 | W30 N57 | W30-D59 VanDerWaalsContact CD1-OD2 3.29Å; W30-D59 PolarHBondContact NE1-OD2 2.72Å; N57-D59 PolarHBondContact O-N 3.47Å; N57-D59 PolarHBondContact OD1-N 2.76Å |
| 60 | E | 98 | Very high | 97.8 | Very high | 142 Ų | 142 | 49.2 Ų | 49.2 | 66% | 0.664 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -28 | -178.7 | -61.4 | -65.7 | 148.1 | 0 | 0 | 112.4 | N57 | N57-E60 HydrophobicContact CB-CB 4.08Å; N57-E60 HydrophobicContact CB-CG 3.9Å; N57-E60 PolarHBondContact O-N 3.44Å; N57-E60 VanDerWaalsContact O-N 3.11Å |
| 61 | L | 97.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -126.6 | 60.3 | 178.2 | -159 | 64 | 0 | 0 | 0 | 110.7 | E7 L10 L56 N57 S63 A64 A65 | E7-L61 HydrophobicContact CG-CD1 4.27Å; L10-L61 HydrophobicContact CD2-CD2 4.26Å; L56-L61 HydrophobicContact CD2-CD2 4.36Å; N57-L61 PolarHBondContact O-N 3.49Å; L61-S63 VanDerWaalsContact C-N 3.28Å; L61-S63 PolarHBondContact O-N 3.46Å; L61-A64 HydrophobicContact CB-CB 4.43Å; L61-A64 HydrophobicContact CD2-CB 3.79Å; L61-A64 HydrophobicContact CG-CB 3.78Å; L61-A64 WeakPolarHBondContact O-CB 3.49Å; L61-A64 PolarHBondContact O-N 2.94Å; L61-A64 VanDerWaalsContact O-N 3.12Å; L61-A65 PolarHBondContact O-N 2.94Å |
| 62 | E | 97.5 | Very high | 97.7 | Very high | 129 Ų | 129 | 51.6 Ų | 51.6 | 60% | 0.603 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -54.1 | -40.8 | -175.2 | -64.6 | -178.2 | -122 | 0 | 0 | 112.7 | V58 A64 A65 E66 | V58-E62 WeakPolarHBondContact O-CA 3.47Å; V58-E62 PolarHBondContact O-N 3.42Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 3.27Å; E62-A65 WeakPolarHBondContact O-CB 3.42Å; E62-A65 PolarHBondContact O-N 2.79Å; E62-A65 VanDerWaalsContact O-N 3.12Å; E62-E66 WeakPolarHBondContact O-CG 3.47Å; E62-E66 PolarHBondContact O-N 3.2Å |
| 63 | S | 97.5 | Very high | 97.7 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 38% | 0.378 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 179.6 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | E7 L61 T67 | E7-S63 VanDerWaalsContact OE1-CB 3.29Å; E7-S63 WeakPolarHBondContact OE1-CB 3.34Å; E7-S63 PolarHBondContact OE1-OG 3.21Å; L61-S63 VanDerWaalsContact C-N 3.28Å; L61-S63 PolarHBondContact O-N 3.46Å; S63-T67 WeakPolarHBondContact O-CB 3.19Å; S63-T67 PolarHBondContact O-N 2.91Å; S63-T67 PolarHBondContact O-OG1 3Å |
| 64 | A | 97.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E7 L10 L56 L61 E62 E66 T67 Y68 | E7-A64 PolarHBondContact OE1-N 2.92Å; L10-A64 HydrophobicContact CD2-CB 3.56Å; L56-A64 HydrophobicContact CD2-CB 4.08Å; L61-A64 HydrophobicContact CB-CB 4.43Å; L61-A64 HydrophobicContact CD2-CB 3.79Å; L61-A64 HydrophobicContact CG-CB 3.78Å; L61-A64 WeakPolarHBondContact O-CB 3.49Å; L61-A64 PolarHBondContact O-N 2.94Å; L61-A64 VanDerWaalsContact O-N 3.12Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 3.27Å; A64-E66 VanDerWaalsContact C-N 3.29Å; A64-E66 PolarHBondContact O-N 2.77Å; A64-T67 PolarHBondContact O-N 3.1Å; A64-Y68 WeakPolarHBondContact O-CD2 3.48Å; A64-Y68 PolarHBondContact O-N 3.37Å |
| 65 | A | 97.2 | Very high | 97.7 | Very high | 12 Ų | 12 | 52 Ų | 52 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V58 L61 E62 S69 I70 | V58-A65 HydrophobicContact CB-CB 3.88Å; V58-A65 HydrophobicContact CG1-CB 3.96Å; L61-A65 PolarHBondContact O-N 2.94Å; E62-A65 WeakPolarHBondContact O-CB 3.42Å; E62-A65 PolarHBondContact O-N 2.79Å; E62-A65 VanDerWaalsContact O-N 3.12Å; A65-S69 PolarHBondContact O-N 2.85Å; A65-S69 VanDerWaalsContact O-N 3.1Å; A65-I70 HydrophobicContact CB-CB 4.31Å; A65-I70 HydrophobicContact CB-CG1 4.4Å; A65-I70 WeakPolarHBondContact O-CG1 3.44Å; A65-I70 PolarHBondContact O-N 2.93Å |
| 66 | E | 97.9 | Very high | 97.7 | Very high | 145 Ų | 145 | 49.7 Ų | 49.7 | 68% | 0.678 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.1 | -48.6 | 173 | -71.7 | -177.9 | 171.1 | 0 | 0 | 112.1 | E62 A64 Y68 S69 | E62-E66 WeakPolarHBondContact O-CG 3.47Å; E62-E66 PolarHBondContact O-N 3.2Å; A64-E66 VanDerWaalsContact C-N 3.29Å; A64-E66 PolarHBondContact O-N 2.77Å; E66-Y68 VanDerWaalsContact C-N 3.25Å; E66-Y68 PolarHBondContact O-N 3.05Å; E66-S69 PolarHBondContact O-N 3.31Å |
| 67 | T | 97.4 | Very high | 97.7 | Very high | 102 Ų | 102 | 49.7 Ų | 49.7 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -55.9 | -41.5 | -179.9 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | S63 A64 S69 | S63-T67 WeakPolarHBondContact O-CB 3.19Å; S63-T67 PolarHBondContact O-N 2.91Å; S63-T67 PolarHBondContact O-OG1 3Å; A64-T67 PolarHBondContact O-N 3.1Å; T67-S69 VanDerWaalsContact C-N 3.34Å |
| 68 | Y | 97.3 | Very high | 97.7 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4.9 | 178.3 | -66.1 | -69.9 | 0 | 0 | 0 | 114.1 | L10 I14 F26 A64 E66 I70 I77 F79 | L10-Y68 HydrophobicContact CD2-CE2 4.21Å; I14-Y68 WeakPolarHBondContact CD1-OH 3.44Å; F26-Y68 HydrophobicContact CE1-CD2 4.02Å; F26-Y68 AromaticContact CZ-CD2 3.52Å; F26-Y68 HydrophobicContact CZ-CD2 3.52Å; F26-Y68 HydrophobicContact CZ-CE2 4.32Å; F26-Y68 AromaticContact CZ-CG 3.82Å; F26-Y68 HydrophobicContact CZ-CG 3.82Å; A64-Y68 WeakPolarHBondContact O-CD2 3.48Å; A64-Y68 PolarHBondContact O-N 3.37Å; E66-Y68 VanDerWaalsContact C-N 3.25Å; E66-Y68 PolarHBondContact O-N 3.05Å; Y68-I70 VanDerWaalsContact C-N 3.3Å; Y68-I70 PolarHBondContact O-N 3.24Å; Y68-I77 HydrophobicContact CD1-CD1 4.02Å; Y68-I77 HydrophobicContact CG-CD1 4.07Å; Y68-F79 HydrophobicContact CD1-CZ 4.31Å; Y68-F79 AromaticContact CE1-CE1 3.99Å; Y68-F79 HydrophobicContact CE1-CE1 3.99Å; Y68-F79 AromaticContact CE1-CZ 3.49Å; Y68-F79 HydrophobicContact CE1-CZ 3.49Å; Y68-F79 VanDerWaalsContact CE1-CZ 3.49Å; Y68-F79 AromaticContact CZ-CZ 3.62Å |
| 69 | S | 96.9 | Very high | 97.7 | Very high | 102 Ų | 102 | 48.9 Ų | 48.9 | 71% | 0.713 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 43 | 178.8 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | A65 E66 T67 A71 | A65-S69 PolarHBondContact O-N 2.85Å; A65-S69 VanDerWaalsContact O-N 3.1Å; E66-S69 PolarHBondContact O-N 3.31Å; T67-S69 VanDerWaalsContact C-N 3.34Å; S69-A71 PolarHBondContact O-N 2.78Å |
| 70 | I | 97.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | trans | -71.7 | 114 | -176.2 | -54.4 | -61.6 | 0 | 0 | 0 | 110.3 | F26 V58 A65 Y68 M73 T75 I77 | F26-I70 HydrophobicContact CB-CD1 4.34Å; F26-I70 HydrophobicContact CB-CG1 4.36Å; F26-I70 HydrophobicContact CB-CG2 4Å; F26-I70 HydrophobicContact CD1-CB 4.48Å; F26-I70 HydrophobicContact CD1-CD1 3.86Å; F26-I70 HydrophobicContact CD1-CG1 3.49Å; F26-I70 VanDerWaalsContact CD1-CG1 3.49Å; F26-I70 HydrophobicContact CD1-CG2 4.5Å; F26-I70 HydrophobicContact CD2-CD1 3.63Å; F26-I70 HydrophobicContact CD2-CG1 4.23Å; F26-I70 HydrophobicContact CE1-CD1 3.96Å; F26-I70 HydrophobicContact CE1-CG1 3.66Å; F26-I70 HydrophobicContact CE2-CD1 3.77Å; F26-I70 HydrophobicContact CE2-CG1 4.4Å; F26-I70 HydrophobicContact CG-CD1 3.68Å; F26-I70 HydrophobicContact CG-CG1 3.77Å; F26-I70 HydrophobicContact CG-CG2 4.34Å; F26-I70 HydrophobicContact CZ-CD1 3.92Å; F26-I70 HydrophobicContact CZ-CG1 4.14Å; V58-I70 HydrophobicContact CG1-CG2 4.17Å; A65-I70 HydrophobicContact CB-CB 4.31Å; A65-I70 HydrophobicContact CB-CG1 4.4Å; A65-I70 WeakPolarHBondContact O-CG1 3.44Å; A65-I70 PolarHBondContact O-N 2.93Å; Y68-I70 VanDerWaalsContact C-N 3.3Å; Y68-I70 PolarHBondContact O-N 3.24Å; I70-M73 HydrophobicContact CG2-SD 4.11Å; I70-T75 HydrophobicContact CD1-CG2 3.91Å; I70-I77 HydrophobicContact CD1-CD1 3.92Å | ||
| 71 | A | 94.7 | Very high | 97.7 | Very high | 100 Ų | 100 | 45 Ų | 45 | 83% | 0.826 | 27% | 0.272 | S | S | * | . | trans | -107.9 | -12.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S69 | S69-A71 PolarHBondContact O-N 2.78Š| ||
| 72 | A | 97.5 | Very high | 97.6 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -153.2 | 151.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T75 V89 | A72-T75 WeakPolarHBondContact O-CB 3.32Å; A72-T75 PolarHBondContact O-OG1 2.77Å; A72-V89 HydrophobicContact CB-CG1 3.85Å |
| 73 | M | 98 | Very high | 97.6 | Very high | 32 Ų | 32 | 46 Ų | 46 | 16% | 0.158 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -122.9 | 143.4 | 179 | -68 | 75.9 | 73.4 | 0 | 0 | 111.9 | F26 A28 W30 C31 V58 I70 | F26-M73 WeakPolarHBondContact O-CG 3.46Å; A28-M73 HydrophobicContact CB-CE 4.01Å; W30-M73 HydrophobicContact CH2-CE 3.12Å; W30-M73 HydrophobicContact CZ2-CE 3.3Å; W30-M73 HydrophobicContact CZ3-CE 4.07Å; C31-M73 HydrophobicContact CB-CB 4.27Å; C31-M73 VanDerWaalsContact SG-C 3.57Å; C31-M73 PolarHBondContact SG-O 2.78Å; C31-M73 VanDerWaalsContact SG-O 3.41Å; V58-M73 HydrophobicContact CG1-CG 4.14Å; V58-M73 HydrophobicContact CG1-SD 4.19Å; V58-M73 HydrophobicContact CG2-CE 3.7Å; V58-M73 HydrophobicContact CG2-CG 4.35Å; V58-M73 HydrophobicContact CG2-SD 4.01Å; I70-M73 HydrophobicContact CG2-SD 4.11Å |
| 74 | P | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | cis | -70.5 | 149.7 | -7.3 | 31.3 | -34 | 0 | 0 | 0 | 110.8 | D25 F26 C34 V37 F76 G90 A91 | D25-P74 WeakPolarHBondContact OD1-CB 3.44Å; F26-P74 VanDerWaalsContact O-CA 3.3Å; F26-P74 WeakPolarHBondContact O-CA 3.23Å; C34-P74 VanDerWaalsContact SG-CD 3.58Å; C34-P74 VanDerWaalsContact SG-N 3.4Å; V37-P74 HydrophobicContact CG2-CG 4.41Å; P74-F76 HydrophobicContact CB-CE1 4.23Å; P74-F76 HydrophobicContact CB-CE2 3.95Å; P74-F76 HydrophobicContact CB-CZ 3.68Å; P74-F76 HydrophobicContact CG-CE2 3.82Å; P74-F76 HydrophobicContact CG-CZ 3.77Å; P74-G90 CarbonylContact O-C 3.52Å; P74-G90 WeakPolarHBondContact O-CA 3.16Å; P74-G90 PolarHBondContact O-N 3.49Å; P74-A91 HydrophobicContact CG-CB 4.08Å |
| 75 | T | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.9 | 162.3 | -73.4 | 0 | 0 | 0 | 0 | 107.4 | F26 I70 A72 I77 V88 V89 | F26-T75 WeakPolarHBondContact CD2-O 3.49Å; F26-T75 PolarHBondContact N-O 2.9Å; F26-T75 PolarHBondContact O-N 3.13Å; I70-T75 HydrophobicContact CD1-CG2 3.91Å; A72-T75 WeakPolarHBondContact O-CB 3.32Å; A72-T75 PolarHBondContact O-OG1 2.77Å; T75-I77 HydrophobicContact CG2-CG1 4.14Å; T75-V88 WeakPolarHBondContact CA-O 3.42Å; T75-V89 HydrophobicContact CG2-CG2 4.19Å |
| 76 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.4 | 177.3 | -51.7 | -79.9 | 0 | 0 | 0 | 108.9 | I23 L24 D25 L41 P74 E87 V88 L96 M99 | I23-F76 HydrophobicContact CG2-CB 4.29Å; I23-F76 HydrophobicContact CG2-CD1 4.46Å; L24-F76 CarbonylContact O-C 3.53Å; L24-F76 WeakPolarHBondContact O-CA 3.19Å; D25-F76 HydrophobicContact CB-CD1 3.81Å; D25-F76 HydrophobicContact CB-CE1 3.89Å; D25-F76 VanDerWaalsContact CG-CE1 3.47Å; D25-F76 WeakPolarHBondContact OD1-CE1 3.21Å; L41-F76 HydrophobicContact CD1-CE1 4.18Å; L41-F76 HydrophobicContact CD2-CE1 3.85Å; L41-F76 HydrophobicContact CD2-CZ 4.33Å; P74-F76 HydrophobicContact CB-CE1 4.23Å; P74-F76 HydrophobicContact CB-CE2 3.95Å; P74-F76 HydrophobicContact CB-CZ 3.68Å; P74-F76 HydrophobicContact CG-CE2 3.82Å; P74-F76 HydrophobicContact CG-CZ 3.77Å; F76-E87 CarbonylContact O-C 3.52Å; F76-E87 VanDerWaalsContact O-CA 3.24Å; F76-E87 WeakPolarHBondContact O-CA 3.26Å; F76-V88 HydrophobicContact CB-CB 4.38Å; F76-V88 HydrophobicContact CD2-CB 4.27Å; F76-V88 HydrophobicContact CD2-CG1 4.26Å; F76-V88 PolarHBondContact N-O 2.87Å; F76-V88 PolarHBondContact O-N 3.12Å; F76-L96 HydrophobicContact CB-CD1 3.88Å; F76-L96 HydrophobicContact CD1-CD1 4.33Å; F76-L96 HydrophobicContact CD1-CD2 4.01Å; F76-L96 HydrophobicContact CD2-CD1 4.45Å; F76-L96 HydrophobicContact CD2-CD2 4.29Å; F76-L96 HydrophobicContact CE1-CD2 4.01Å; F76-L96 HydrophobicContact CE2-CD2 4.29Å; F76-L96 HydrophobicContact CG-CD1 3.97Å; F76-L96 HydrophobicContact CG-CD2 4.15Å; F76-L96 HydrophobicContact CZ-CD2 4.15Å; F76-M99 HydrophobicContact CB-CE 4.13Å |
| 77 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.4 | 174.8 | -60.2 | -171.3 | 0 | 0 | 0 | 109.2 | I23 L24 F26 Y68 I70 T75 F79 K84 E87 | I23-I77 WeakPolarHBondContact CA-O 3.2Å; L24-I77 PolarHBondContact N-O 3.17Å; L24-I77 PolarHBondContact O-N 2.63Å; F26-I77 HydrophobicContact CD2-CD1 4.33Å; F26-I77 HydrophobicContact CD2-CG1 4.27Å; F26-I77 HydrophobicContact CE2-CB 4.24Å; F26-I77 HydrophobicContact CE2-CD1 3.55Å; F26-I77 HydrophobicContact CE2-CG1 3.78Å; F26-I77 HydrophobicContact CZ-CD1 4.13Å; Y68-I77 HydrophobicContact CD1-CD1 4.02Å; Y68-I77 HydrophobicContact CG-CD1 4.07Å; I70-I77 HydrophobicContact CD1-CD1 3.92Å; T75-I77 HydrophobicContact CG2-CG1 4.14Å; I77-F79 HydrophobicContact CB-CD2 4.49Å; I77-F79 HydrophobicContact CB-CE2 3.92Å; I77-F79 HydrophobicContact CG2-CD2 3.87Å; I77-F79 HydrophobicContact CG2-CE2 3.38Å; I77-F79 HydrophobicContact CG2-CZ 3.95Å; I77-K84 HydrophobicContact CD1-CD 4.37Å; I77-K84 HydrophobicContact CG2-CB 4.26Å; I77-K84 HydrophobicContact CG2-CD 3.75Å; I77-K84 HydrophobicContact CG2-CG 3.63Å; I77-E87 HydrophobicContact CG1-CB 4.29Å |
| 78 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 131.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L21 M22 I23 K84 V85 D86 M99 | L21-A78 HydrophobicContact CD1-CB 4.34Å; M22-A78 CarbonylContact O-C 3.5Å; M22-A78 WeakPolarHBondContact O-CA 3.38Å; I23-A78 HydrophobicContact CD1-CB 3.86Å; A78-K84 WeakPolarHBondContact O-CA 3.41Å; A78-V85 HydrophobicContact CB-CG2 3.84Å; A78-V85 WeakPolarHBondContact O-CG2 3.48Å; A78-V85 PolarHBondContact O-N 3.12Å; A78-D86 HydrophobicContact CB-CB 4.35Å; A78-D86 PolarHBondContact N-O 2.53Å; A78-M99 HydrophobicContact CB-CE 4.13Å; A78-M99 HydrophobicContact CB-CG 4.09Å; A78-M99 HydrophobicContact CB-SD 3.7Å |
| 79 | F | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.8 | 171 | -68.7 | -103.8 | 0 | 0 | 0 | 110.6 | I14 M22 L24 Y68 I77 E83 K84 | I14-F79 HydrophobicContact CD1-CE1 4.31Å; I14-F79 HydrophobicContact CG1-CD1 4.33Å; I14-F79 HydrophobicContact CG1-CE1 4.13Å; I14-F79 HydrophobicContact CG2-CD1 4.37Å; M22-F79 HydrophobicContact CB-CB 4.27Å; M22-F79 HydrophobicContact CE-CB 3.82Å; M22-F79 HydrophobicContact CE-CD1 4.34Å; M22-F79 HydrophobicContact CE-CD2 3.43Å; M22-F79 VanDerWaalsContact CE-CD2 3.43Å; M22-F79 HydrophobicContact CE-CE2 4.01Å; M22-F79 HydrophobicContact CE-CG 3.62Å; M22-F79 PolarHBondContact N-O 3.23Å; M22-F79 PolarHBondContact O-N 2.76Å; L24-F79 HydrophobicContact CB-CD2 4.33Å; L24-F79 HydrophobicContact CB-CE2 3.98Å; L24-F79 HydrophobicContact CD2-CE2 3.92Å; L24-F79 HydrophobicContact CD2-CZ 4.41Å; Y68-F79 HydrophobicContact CD1-CZ 4.31Å; Y68-F79 AromaticContact CE1-CE1 3.99Å; Y68-F79 HydrophobicContact CE1-CE1 3.99Å; Y68-F79 AromaticContact CE1-CZ 3.49Å; Y68-F79 HydrophobicContact CE1-CZ 3.49Å; Y68-F79 VanDerWaalsContact CE1-CZ 3.49Å; Y68-F79 AromaticContact CZ-CZ 3.62Å; I77-F79 HydrophobicContact CB-CD2 4.49Å; I77-F79 HydrophobicContact CB-CE2 3.92Å; I77-F79 HydrophobicContact CG2-CD2 3.87Å; I77-F79 HydrophobicContact CG2-CE2 3.38Å; I77-F79 HydrophobicContact CG2-CZ 3.95Å; F79-E83 CarbonylContact C-O 3.54Å; F79-E83 WeakPolarHBondContact CA-O 3.35Å; F79-K84 HydrophobicContact CD1-CB 4.4Å; F79-K84 HydrophobicContact CE1-CB 4.14Å; F79-K84 HydrophobicContact CZ-CB 4.47Å |
| 80 | K | 97.9 | Very high | 98 | Very high | 83 Ų | 83 | 43 Ų | 43 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 130.4 | 175 | -172.1 | 171.1 | -170.5 | 161.4 | 0 | 109 | L21 G82 E83 V85 Y103 K104 | L21-K80 HydrophobicContact CD1-CB 4.29Å; K80-G82 VanDerWaalsContact C-N 3.27Å; K80-G82 PolarHBondContact O-N 2.69Å; K80-E83 PolarHBondContact N-O 3.25Å; K80-E83 PolarHBondContact O-N 2.84Å; K80-V85 HydrophobicContact CB-CG1 4.08Å; K80-V85 HydrophobicContact CB-CG2 4.14Å; K80-Y103 WeakPolarHBondContact CD-O 3.46Å; K80-Y103 WeakPolarHBondContact CE-O 3.39Å; K80-Y103 PolarHBondContact NZ-O 3.1Å; K80-K104 PolarHBondContact NZ-OXT 3.05Å |
| 81 | G | 96.8 | Very high | 97.9 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 24.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S17 E83 | S17-G81 PolarHBondContact O-N 3.33Å; G81-E83 VanDerWaalsContact C-N 3.28Å; G81-E83 PolarHBondContact O-N 3.45Å |
| 82 | G | 96.4 | Very high | 98.1 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 23% | 0.227 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I14 S17 K80 | I14-G82 WeakPolarHBondContact CG2-O 3.34Å; S17-G82 PolarHBondContact O-N 3.25Å; S17-G82 WeakPolarHBondContact OG-CA 3.46Å; S17-G82 PolarHBondContact OG-N 2.87Å; K80-G82 VanDerWaalsContact C-N 3.27Å; K80-G82 PolarHBondContact O-N 2.69Å |
| 83 | E | 97.4 | Very high | 98.1 | Very high | 143 Ų | 143 | 40.8 Ų | 40.8 | 67% | 0.668 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 147.8 | -175.3 | -61.2 | -171.9 | 144.8 | 0 | 0 | 111.9 | F79 K80 G81 V85 | F79-E83 CarbonylContact C-O 3.54Å; F79-E83 WeakPolarHBondContact CA-O 3.35Å; K80-E83 PolarHBondContact N-O 3.25Å; K80-E83 PolarHBondContact O-N 2.84Å; G81-E83 VanDerWaalsContact C-N 3.28Å; G81-E83 PolarHBondContact O-N 3.45Å; E83-V85 PolarHBondContact O-N 3.35Å |
| 84 | K | 98 | Very high | 98.1 | Very high | 91 Ų | 91 | 45 Ų | 45 | 40% | 0.396 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 124.8 | 169.5 | 170.2 | 174.3 | 179.1 | 179.3 | 0 | 109.4 | I77 A78 F79 E87 | I77-K84 HydrophobicContact CD1-CD 4.37Å; I77-K84 HydrophobicContact CG2-CB 4.26Å; I77-K84 HydrophobicContact CG2-CD 3.75Å; I77-K84 HydrophobicContact CG2-CG 3.63Å; A78-K84 WeakPolarHBondContact O-CA 3.41Å; F79-K84 HydrophobicContact CD1-CB 4.4Å; F79-K84 HydrophobicContact CE1-CB 4.14Å; F79-K84 HydrophobicContact CZ-CB 4.47Å; K84-E87 WeakPolarHBondContact CE-OE2 3.49Å; K84-E87 IonicContact NZ-OE2 2.69Å; K84-E87 PolarHBondContact NZ-OE2 3.26Å |
| 85 | V | 98.4 | Very high | 98.1 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | -25 | -177.8 | -65 | 0 | 0 | 0 | 0 | 114 | A78 K80 E83 Y103 | A78-V85 HydrophobicContact CB-CG2 3.84Å; A78-V85 WeakPolarHBondContact O-CG2 3.48Å; A78-V85 PolarHBondContact O-N 3.12Å; K80-V85 HydrophobicContact CB-CG1 4.08Å; K80-V85 HydrophobicContact CB-CG2 4.14Å; E83-V85 PolarHBondContact O-N 3.35Å; V85-Y103 HydrophobicContact CB-CD1 4Å; V85-Y103 HydrophobicContact CB-CE1 3.67Å; V85-Y103 HydrophobicContact CG2-CD1 3.57Å; V85-Y103 HydrophobicContact CG2-CD2 4.15Å; V85-Y103 HydrophobicContact CG2-CE1 3.69Å; V85-Y103 HydrophobicContact CG2-CE2 4.3Å; V85-Y103 HydrophobicContact CG2-CG 3.82Å; V85-Y103 PolarHBondContact O-OH 3.33Å; V85-Y103 VanDerWaalsContact O-OH 3.05Å |
| 86 | D | 98.5 | Very high | 98.1 | Very high | 48 Ų | 48 | 50.3 Ų | 50.3 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 170.8 | 179.2 | -139.9 | -38.5 | 0 | 0 | 0 | 111.6 | A78 M99 K102 Y103 | A78-D86 HydrophobicContact CB-CB 4.35Å; A78-D86 PolarHBondContact N-O 2.53Å; D86-M99 HydrophobicContact CB-CG 3.99Å; D86-M99 HydrophobicContact CB-SD 3.82Å; D86-K102 IonicContact OD2-NZ 2.82Å; D86-K102 PolarHBondContact OD2-NZ 3.06Å; D86-Y103 HydrophobicContact CB-CD2 4.18Å; D86-Y103 HydrophobicContact CB-CE2 3.29Å; D86-Y103 WeakPolarHBondContact CB-OH 3.43Å; D86-Y103 WeakPolarHBondContact OD2-CE2 3.48Å; D86-Y103 PolarHBondContact OD2-OH 3.32Å |
| 87 | E | 98.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 53.1 Ų | 53.1 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 148.8 | 175.6 | 68.6 | -176.8 | -162.4 | 0 | 0 | 113.4 | F76 I77 K84 | F76-E87 CarbonylContact O-C 3.52Å; F76-E87 VanDerWaalsContact O-CA 3.24Å; F76-E87 WeakPolarHBondContact O-CA 3.26Å; I77-E87 HydrophobicContact CG1-CB 4.29Å; K84-E87 WeakPolarHBondContact CE-OE2 3.49Å; K84-E87 IonicContact NZ-OE2 2.69Å; K84-E87 PolarHBondContact NZ-OE2 3.26Å |
| 88 | V | 98.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 112.5 | 171 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | T75 F76 N92 K95 M99 | T75-V88 WeakPolarHBondContact CA-O 3.42Å; F76-V88 HydrophobicContact CB-CB 4.38Å; F76-V88 HydrophobicContact CD2-CB 4.27Å; F76-V88 HydrophobicContact CD2-CG1 4.26Å; F76-V88 PolarHBondContact N-O 2.87Å; F76-V88 PolarHBondContact O-N 3.12Å; V88-N92 HydrophobicContact CG1-CB 4.18Å; V88-K95 HydrophobicContact CG1-CB 3.88Å; V88-K95 HydrophobicContact CG2-CB 4.01Å; V88-M99 HydrophobicContact CG2-CB 4.16Å; V88-M99 HydrophobicContact CG2-CE 4.02Å; V88-M99 HydrophobicContact CG2-SD 3.86Å |
| 89 | V | 98.5 | Very high | 98.1 | Very high | 83 Ų | 83 | 59.4 Ų | 59.4 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 131.1 | 176 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | A72 T75 | A72-V89 HydrophobicContact CB-CG1 3.85Å; T75-V89 HydrophobicContact CG2-CG2 4.19Å |
| 90 | G | 97.9 | Very high | 98.1 | Very high | 22 Ų | 22 | 59.2 Ų | 59.2 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 89.3 | 169.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P74 N92 | P74-G90 CarbonylContact O-C 3.52Å; P74-G90 WeakPolarHBondContact O-CA 3.16Å; P74-G90 PolarHBondContact O-N 3.49Å; G90-N92 PolarHBondContact O-N 3.26Å |
| 91 | A | 97.5 | Very high | 98.1 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 35% | 0.347 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -71.6 | 56.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P33 V37 P74 | P33-A91 HydrophobicContact CB-CB 3.79Å; V37-A91 HydrophobicContact CG1-CB 3.62Å; V37-A91 HydrophobicContact CG2-CB 4.49Å; P74-A91 HydrophobicContact CG-CB 4.08Å |
| 92 | N | 97.9 | Very high | 98.2 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | trans | -109.8 | 86.5 | -178.5 | -169.1 | -28.5 | 0 | 0 | 0 | 110.4 | V88 G90 D94 K95 L96 | V88-N92 HydrophobicContact CG1-CB 4.18Å; G90-N92 PolarHBondContact O-N 3.26Å; N92-D94 PolarHBondContact OD1-N 2.78Å; N92-K95 HydrophobicContact CB-CB 4.28Å; N92-K95 WeakPolarHBondContact ND2-CD 3.41Å; N92-K95 WeakPolarHBondContact ND2-CG 3.44Å; N92-K95 PolarHBondContact O-N 3.36Å; N92-K95 PolarHBondContact OD1-N 2.93Å; N92-L96 PolarHBondContact O-N 3.03Å | ||
| 93 | L | 97.7 | Very high | 98.2 | Very high | 28 Ų | 28 | 66.5 Ų | 66.5 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.4 | -33 | -177.6 | -64.6 | -175.5 | 0 | 0 | 0 | 112.8 | V37 E40 L41 I44 K95 L96 R97 | V37-L93 HydrophobicContact CB-CD1 4.02Å; V37-L93 HydrophobicContact CB-CD2 4.13Å; V37-L93 HydrophobicContact CB-CG 4.15Å; V37-L93 HydrophobicContact CG1-CD1 4.23Å; V37-L93 HydrophobicContact CG1-CD2 4.48Å; V37-L93 HydrophobicContact CG1-CG 4.12Å; E40-L93 HydrophobicContact CB-CD1 3.33Å; E40-L93 HydrophobicContact CG-CD1 4.36Å; L41-L93 HydrophobicContact CB-CD2 4.49Å; L41-L93 HydrophobicContact CD1-CD2 4.35Å; I44-L93 HydrophobicContact CD1-CB 4.16Å; I44-L93 HydrophobicContact CD1-CD1 4.31Å; I44-L93 HydrophobicContact CD1-CD2 4.08Å; I44-L93 HydrophobicContact CD1-CG 4.42Å; L93-K95 PolarHBondContact O-N 2.95Å; L93-L96 HydrophobicContact CD2-CD2 3.92Å; L93-L96 WeakPolarHBondContact O-CB 3.36Å; L93-L96 PolarHBondContact O-N 3.41Å; L93-L96 VanDerWaalsContact O-N 3.15Å; L93-R97 VanDerWaalsContact O-CG 3.3Å; L93-R97 WeakPolarHBondContact O-CG 3.29Å; L93-R97 PolarHBondContact O-N 2.05Å |
| 94 | D | 98.3 | Very high | 97.6 | Very high | 120 Ų | 120 | 66.1 Ų | 66.1 | 64% | 0.642 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61 | -45.8 | 176.8 | -63.5 | -29.6 | 0 | 0 | 0 | 110.9 | N92 L96 R97 E98 | N92-D94 PolarHBondContact OD1-N 2.78Å; D94-L96 VanDerWaalsContact C-N 3.35Å; D94-L96 PolarHBondContact O-N 3.17Å; D94-R97 WeakPolarHBondContact O-CB 3.37Å; D94-R97 PolarHBondContact O-N 3.26Å; D94-E98 WeakPolarHBondContact O-CG 3.3Å; D94-E98 PolarHBondContact O-N 3.05Å |
| 95 | K | 98.6 | Very high | 97.6 | Very high | 115 Ų | 115 | 64.9 Ų | 64.9 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 173.7 | -75.1 | -169.8 | 178.8 | -171.2 | 0 | 113.1 | V88 N92 L93 R97 E98 M99 | V88-K95 HydrophobicContact CG1-CB 3.88Å; V88-K95 HydrophobicContact CG2-CB 4.01Å; N92-K95 HydrophobicContact CB-CB 4.28Å; N92-K95 WeakPolarHBondContact ND2-CD 3.41Å; N92-K95 WeakPolarHBondContact ND2-CG 3.44Å; N92-K95 PolarHBondContact O-N 3.36Å; N92-K95 PolarHBondContact OD1-N 2.93Å; L93-K95 PolarHBondContact O-N 2.95Å; K95-R97 VanDerWaalsContact C-N 3.28Å; K95-R97 PolarHBondContact O-N 3.2Å; K95-E98 PolarHBondContact O-N 3.43Å; K95-M99 VanDerWaalsContact O-CB 3.31Å; K95-M99 WeakPolarHBondContact O-CB 3.05Å; K95-M99 PolarHBondContact O-N 3.15Å |
| 96 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 173.3 | 174.6 | 59.4 | 0 | 0 | 0 | 110.5 | I23 L41 I44 F76 N92 L93 D94 M99 I100 | I23-L96 HydrophobicContact CG2-CD1 3.95Å; L41-L96 HydrophobicContact CD1-CD2 3.54Å; I44-L96 HydrophobicContact CD1-CD2 4.46Å; F76-L96 HydrophobicContact CB-CD1 3.88Å; F76-L96 HydrophobicContact CD1-CD1 4.33Å; F76-L96 HydrophobicContact CD1-CD2 4.01Å; F76-L96 HydrophobicContact CD2-CD1 4.45Å; F76-L96 HydrophobicContact CD2-CD2 4.29Å; F76-L96 HydrophobicContact CE1-CD2 4.01Å; F76-L96 HydrophobicContact CE2-CD2 4.29Å; F76-L96 HydrophobicContact CG-CD1 3.97Å; F76-L96 HydrophobicContact CG-CD2 4.15Å; F76-L96 HydrophobicContact CZ-CD2 4.15Å; N92-L96 PolarHBondContact O-N 3.03Å; L93-L96 HydrophobicContact CD2-CD2 3.92Å; L93-L96 WeakPolarHBondContact O-CB 3.36Å; L93-L96 PolarHBondContact O-N 3.41Å; L93-L96 VanDerWaalsContact O-N 3.15Å; D94-L96 VanDerWaalsContact C-N 3.35Å; D94-L96 PolarHBondContact O-N 3.17Å; L96-M99 HydrophobicContact CD1-CE 3.46Å; L96-M99 VanDerWaalsContact CD1-CE 3.46Å; L96-M99 PolarHBondContact O-N 3.48Å; L96-I100 HydrophobicContact CD1-CD1 3.77Å; L96-I100 HydrophobicContact CD1-CG1 4.3Å; L96-I100 HydrophobicContact CG-CD1 3.89Å; L96-I100 WeakPolarHBondContact O-CD1 3.02Å; L96-I100 WeakPolarHBondContact O-CG1 3.45Å; L96-I100 PolarHBondContact O-N 3.01Å |
| 97 | R | 98.4 | Very high | 97.5 | Very high | 60 Ų | 60 | 66.6 Ų | 66.6 | 23% | 0.226 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.8 | -49 | 176.3 | -66.4 | -166.4 | 159.7 | -94.9 | 2.6 | 112 | I44 E47 W48 L93 D94 K95 M99 I100 E101 | I44-R97 HydrophobicContact CD1-CG 3.96Å; I44-R97 HydrophobicContact CG1-CG 4.35Å; E47-R97 VanDerWaalsContact CD-NH1 3.26Å; E47-R97 IonicContact OE1-NH1 3.77Å; E47-R97 PolarHBondContact OE1-NH1 3.06Å; E47-R97 VanDerWaalsContact OE1-NH1 3.14Å; E47-R97 IonicContact OE2-CZ 3.14Å; E47-R97 IonicContact OE2-NH1 3.35Å; E47-R97 PolarHBondContact OE2-NH1 3.15Å; E47-R97 IonicContact OE2-NH2 3.06Å; E47-R97 PolarHBondContact OE2-NH2 3.31Å; W48-R97 HydrophobicContact CH2-CB 3.61Å; W48-R97 HydrophobicContact CH2-CG 3.49Å; W48-R97 VanDerWaalsContact CH2-CG 3.49Å; W48-R97 VanDerWaalsContact CZ2-NH1 3.35Å; W48-R97 HydrophobicContact CZ3-CB 4.41Å; W48-R97 HydrophobicContact CZ3-CG 4.03Å; L93-R97 VanDerWaalsContact O-CG 3.3Å; L93-R97 WeakPolarHBondContact O-CG 3.29Å; L93-R97 PolarHBondContact O-N 2.05Å; D94-R97 WeakPolarHBondContact O-CB 3.37Å; D94-R97 PolarHBondContact O-N 3.26Å; K95-R97 VanDerWaalsContact C-N 3.28Å; K95-R97 PolarHBondContact O-N 3.2Å; R97-M99 VanDerWaalsContact C-N 3.28Å; R97-M99 PolarHBondContact O-N 3.33Å; R97-I100 PolarHBondContact O-N 3.25Å; R97-I100 VanDerWaalsContact O-N 3.13Å; R97-E101 WeakPolarHBondContact O-CG 3.09Å; R97-E101 PolarHBondContact O-N 3.11Å |
| 98 | E | 98.7 | Very high | 97.5 | Very high | 123 Ų | 123 | 65.2 Ų | 65.2 | 58% | 0.575 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.8 | -41.5 | 175.1 | -70.4 | 173.7 | 179.2 | 0 | 0 | 112 | D94 K95 E101 K102 | D94-E98 WeakPolarHBondContact O-CG 3.3Å; D94-E98 PolarHBondContact O-N 3.05Å; K95-E98 PolarHBondContact O-N 3.43Å; E98-E101 PolarHBondContact O-N 3.28Å; E98-K102 VanDerWaalsContact O-CB 3.28Å; E98-K102 WeakPolarHBondContact O-CB 2.99Å; E98-K102 PolarHBondContact O-N 2.76Å |
| 99 | M | 98.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.039 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 175.8 | -177.3 | 179.6 | 62.7 | 0 | 0 | 111 | I23 F76 A78 D86 V88 K95 L96 R97 K102 Y103 | I23-M99 HydrophobicContact CD1-CE 3.96Å; F76-M99 HydrophobicContact CB-CE 4.13Å; A78-M99 HydrophobicContact CB-CE 4.13Å; A78-M99 HydrophobicContact CB-CG 4.09Å; A78-M99 HydrophobicContact CB-SD 3.7Å; D86-M99 HydrophobicContact CB-CG 3.99Å; D86-M99 HydrophobicContact CB-SD 3.82Å; V88-M99 HydrophobicContact CG2-CB 4.16Å; V88-M99 HydrophobicContact CG2-CE 4.02Å; V88-M99 HydrophobicContact CG2-SD 3.86Å; K95-M99 VanDerWaalsContact O-CB 3.31Å; K95-M99 WeakPolarHBondContact O-CB 3.05Å; K95-M99 PolarHBondContact O-N 3.15Å; L96-M99 HydrophobicContact CD1-CE 3.46Å; L96-M99 VanDerWaalsContact CD1-CE 3.46Å; L96-M99 PolarHBondContact O-N 3.48Å; R97-M99 VanDerWaalsContact C-N 3.28Å; R97-M99 PolarHBondContact O-N 3.33Å; M99-K102 PolarHBondContact O-N 3.02Å; M99-Y103 HydrophobicContact CG-CD2 4.02Å; M99-Y103 HydrophobicContact CG-CE2 4.16Å; M99-Y103 VanDerWaalsContact O-CD2 3.22Å; M99-Y103 WeakPolarHBondContact O-CD2 3.42Å; M99-Y103 PolarHBondContact O-N 2.71Å; M99-Y103 VanDerWaalsContact O-N 3.15Å |
| 100 | I | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 179.3 | -71.1 | 160.2 | 0 | 0 | 0 | 111 | L21 I23 I44 W48 V51 F53 L96 R97 K102 Y103 K104 | L21-I100 HydrophobicContact CD2-CG2 4.23Å; I23-I100 HydrophobicContact CD1-CD1 4.38Å; I23-I100 HydrophobicContact CD1-CG1 3.73Å; I23-I100 HydrophobicContact CG1-CD1 4Å; I23-I100 HydrophobicContact CG1-CG1 3.82Å; I44-I100 HydrophobicContact CG2-CD1 4.3Å; W48-I100 HydrophobicContact CD2-CG2 3.72Å; W48-I100 HydrophobicContact CE3-CB 4.13Å; W48-I100 HydrophobicContact CE3-CD1 3.51Å; W48-I100 HydrophobicContact CE3-CG1 4.35Å; W48-I100 HydrophobicContact CE3-CG2 3.61Å; W48-I100 HydrophobicContact CG-CG2 4.27Å; W48-I100 HydrophobicContact CH2-CB 4.16Å; W48-I100 HydrophobicContact CH2-CD1 4.27Å; W48-I100 HydrophobicContact CH2-CG2 4.17Å; W48-I100 HydrophobicContact CZ2-CG2 4.33Å; W48-I100 HydrophobicContact CZ3-CB 3.89Å; W48-I100 HydrophobicContact CZ3-CD1 3.27Å; W48-I100 HydrophobicContact CZ3-CG1 4.17Å; W48-I100 HydrophobicContact CZ3-CG2 3.87Å; V51-I100 HydrophobicContact CG2-CG2 4.11Å; F53-I100 HydrophobicContact CE1-CD1 3.84Å; F53-I100 HydrophobicContact CZ-CD1 3.96Å; L96-I100 HydrophobicContact CD1-CD1 3.77Å; L96-I100 HydrophobicContact CD1-CG1 4.3Å; L96-I100 HydrophobicContact CG-CD1 3.89Å; L96-I100 WeakPolarHBondContact O-CD1 3.02Å; L96-I100 WeakPolarHBondContact O-CG1 3.45Å; L96-I100 PolarHBondContact O-N 3.01Å; R97-I100 PolarHBondContact O-N 3.25Å; R97-I100 VanDerWaalsContact O-N 3.13Å; I100-K102 VanDerWaalsContact C-N 3.33Å; I100-K102 PolarHBondContact O-N 3.02Å; I100-Y103 PolarHBondContact O-N 2.98Å; I100-K104 WeakPolarHBondContact O-CB 3.11Å; I100-K104 PolarHBondContact O-N 3.21Å |
| 101 | E | 97.9 | Very high | 97.3 | Very high | 132 Ų | 132 | 70.9 Ų | 70.9 | 62% | 0.617 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.4 | -39.5 | 176.2 | -71.5 | 177.7 | 172.3 | 0 | 0 | 112.6 | R97 E98 Y103 | R97-E101 WeakPolarHBondContact O-CG 3.09Å; R97-E101 PolarHBondContact O-N 3.11Å; E98-E101 PolarHBondContact O-N 3.28Å; E101-Y103 PolarHBondContact O-N 3.25Å |
| 102 | K | 98.3 | Very high | 97.3 | Very high | 132 Ų | 132 | 73.1 Ų | 73.1 | 57% | 0.574 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.3 | -36.6 | 179.3 | 176.9 | -178 | 168.8 | -163.5 | 0 | 113.1 | D86 E98 M99 I100 | D86-K102 IonicContact OD2-NZ 2.82Å; D86-K102 PolarHBondContact OD2-NZ 3.06Å; E98-K102 VanDerWaalsContact O-CB 3.28Å; E98-K102 WeakPolarHBondContact O-CB 2.99Å; E98-K102 PolarHBondContact O-N 2.76Å; M99-K102 PolarHBondContact O-N 3.02Å; I100-K102 VanDerWaalsContact C-N 3.33Å; I100-K102 PolarHBondContact O-N 3.02Å |
| 103 | Y | 97.5 | Very high | 97.2 | Very high | 42 Ų | 42 | 74.6 Ų | 74.6 | 17% | 0.165 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -106.1 | 6.4 | -176.7 | -64.3 | -76.8 | 0 | 0 | 0 | 114.4 | K80 V85 D86 M99 I100 E101 | K80-Y103 WeakPolarHBondContact CD-O 3.46Å; K80-Y103 WeakPolarHBondContact CE-O 3.39Å; K80-Y103 PolarHBondContact NZ-O 3.1Å; V85-Y103 HydrophobicContact CB-CD1 4Å; V85-Y103 HydrophobicContact CB-CE1 3.67Å; V85-Y103 HydrophobicContact CG2-CD1 3.57Å; V85-Y103 HydrophobicContact CG2-CD2 4.15Å; V85-Y103 HydrophobicContact CG2-CE1 3.69Å; V85-Y103 HydrophobicContact CG2-CE2 4.3Å; V85-Y103 HydrophobicContact CG2-CG 3.82Å; V85-Y103 PolarHBondContact O-OH 3.33Å; V85-Y103 VanDerWaalsContact O-OH 3.05Å; D86-Y103 HydrophobicContact CB-CD2 4.18Å; D86-Y103 HydrophobicContact CB-CE2 3.29Å; D86-Y103 WeakPolarHBondContact CB-OH 3.43Å; D86-Y103 WeakPolarHBondContact OD2-CE2 3.48Å; D86-Y103 PolarHBondContact OD2-OH 3.32Å; M99-Y103 HydrophobicContact CG-CD2 4.02Å; M99-Y103 HydrophobicContact CG-CE2 4.16Å; M99-Y103 VanDerWaalsContact O-CD2 3.22Å; M99-Y103 WeakPolarHBondContact O-CD2 3.42Å; M99-Y103 PolarHBondContact O-N 2.71Å; M99-Y103 VanDerWaalsContact O-N 3.15Å; I100-Y103 PolarHBondContact O-N 2.98Å; E101-Y103 PolarHBondContact O-N 3.25Å |
| 104 | K | 85.4 | Confident | 97.2 | Very high | 134 Ų | 134 | 78.8 Ų | 78.8 | 58% | 0.583 | 36% | 0.357 | S | S | * | . | trans | -63.1 | 0 | 167.5 | -159.4 | 165.7 | -170.1 | 158 | 0 | 110.2 | D50 K80 I100 | D50-K104 VanDerWaalsContact CG-CE 3.44Å; D50-K104 VanDerWaalsContact CG-NZ 3.32Å; D50-K104 WeakPolarHBondContact OD1-CE 3.46Å; D50-K104 IonicContact OD1-NZ 2.72Å; D50-K104 PolarHBondContact OD1-NZ 3.04Å; D50-K104 WeakPolarHBondContact OD2-CE 2.95Å; D50-K104 IonicContact OD2-NZ 3.14Å; D50-K104 PolarHBondContact OD2-NZ 2.72Å; D50-K104 VanDerWaalsContact OD2-NZ 3.14Å; K80-K104 PolarHBondContact NZ-OXT 3.05Å; I100-K104 WeakPolarHBondContact O-CB 3.11Å; I100-K104 PolarHBondContact O-N 3.21Å |
Retrieved 104 of 104 residues in 159.7 ms
(Link to these results)