| 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 | 75.7 | Confident | 93.1 | Very high | 234 Ų | 234 | 90.5 Ų | 90.5 | 100% | 1.153 | 48% | 0.482 | S | S | * | . | 0 | 140 | 0 | -88.4 | 168.7 | 64.7 | 0 | 0 | 108.5 | |||||
| 2 | A | 81.4 | Confident | 93.5 | Very high | 86 Ų | 86 | 99.7 Ų | 99.7 | 71% | 0.711 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 146.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 3 | P | 90.1 | Very high | 93.9 | Very high | 119 Ų | 119 | 97.8 Ų | 97.8 | 77% | 0.773 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 145.5 | 177.2 | 26.2 | -33 | 0 | 0 | 0 | 111.1 | ||
| 4 | L | 94.3 | Very high | 94.2 | Very high | 136 Ų | 136 | 93.7 Ų | 93.7 | 71% | 0.712 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 145.2 | 172.7 | -65.4 | 176.7 | 0 | 0 | 0 | 110.1 | F6 | L4-F6 HydrophobicContact CB-CE2 3.79Å; L4-F6 HydrophobicContact CB-CZ 3.84Å; L4-F6 HydrophobicContact CD1-CZ 3.83Å |
| 5 | R | 94.4 | Very high | 94.4 | Very high | 174 Ų | 174 | 93.3 Ų | 93.3 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | trans | -118.6 | 120.9 | 176.3 | -66.6 | 175 | 62.8 | -163.9 | -9 | 108.3 | R58 | R5-R58 VanDerWaalsContact NH2-NH1 3.12Š| ||
| 6 | F | 97.6 | Very high | 94.7 | Very high | 140 Ų | 140 | 96.4 Ų | 96.4 | 61% | 0.614 | 49% | 0.493 | S | S | * | . | trans | -102.3 | 144.6 | -177 | -62.3 | -80.6 | 0 | 0 | 0 | 111.1 | L4 F32 | L4-F6 HydrophobicContact CB-CE2 3.79Å; L4-F6 HydrophobicContact CB-CZ 3.84Å; L4-F6 HydrophobicContact CD1-CZ 3.83Å; F6-F32 HydrophobicContact CB-CD1 4.2Å; F6-F32 HydrophobicContact CB-CE1 3.95Å | ||
| 7 | S | 98.6 | Very high | 94.9 | Very high | 40 Ų | 40 | 93.5 Ų | 93.5 | 28% | 0.28 | 48% | 0.478 | S | S | . | . | trans | -113.7 | 131.6 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | N9 A34 E36 V60 | S7-N9 PolarHBondContact O-N 3.46Å; S7-A34 WeakPolarHBondContact CA-O 3.45Å; S7-E36 PolarHBondContact OG-N 3.33Å; S7-E36 PolarHBondContact OG-OE2 3.48Å; S7-V60 WeakPolarHBondContact OG-CG2 3.35Å | ||
| 8 | A | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 93.1 Ų | 93.1 | 0% | 0 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 113.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V10 L13 A27 F32 A34 A35 E36 | A8-V10 HydrophobicContact CB-CG1 4.24Å; A8-V10 PolarHBondContact O-N 3.39Å; A8-V10 VanDerWaalsContact O-N 3.13Å; A8-L13 HydrophobicContact CB-CD1 4.25Å; A8-A27 HydrophobicContact CB-CB 3.68Å; A8-F32 HydrophobicContact CB-CB 4.21Å; A8-F32 HydrophobicContact CB-CD1 3.81Å; A8-F32 HydrophobicContact CB-CD2 3.85Å; A8-F32 HydrophobicContact CB-CE1 4.06Å; A8-F32 HydrophobicContact CB-CE2 4.1Å; A8-F32 HydrophobicContact CB-CG 3.69Å; A8-F32 HydrophobicContact CB-CZ 4.2Å; A8-A34 PolarHBondContact N-O 3.39Å; A8-A35 HydrophobicContact CB-CB 4.48Å; A8-A35 CarbonylContact O-C 3.57Å; A8-A35 VanDerWaalsContact O-CA 3.23Å; A8-A35 WeakPolarHBondContact O-CA 3.23Å; A8-A35 WeakPolarHBondContact O-CB 3.46Å; A8-E36 PolarHBondContact O-N 2.98Å |
| 9 | N | 98.6 | Very high | 94.9 | Very high | 32 Ų | 32 | 89.8 Ų | 89.8 | 17% | 0.171 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 94 | 168.6 | -170.2 | -46.1 | 0 | 0 | 0 | 109.9 | S7 S11 W12 L13 E36 | S7-N9 PolarHBondContact O-N 3.46Å; N9-S11 PolarHBondContact O-N 2.93Å; N9-S11 VanDerWaalsContact OD1-CB 3.32Å; N9-S11 WeakPolarHBondContact OD1-CB 3.24Å; N9-S11 PolarHBondContact OD1-N 3.13Å; N9-S11 VanDerWaalsContact OD1-N 3.13Å; N9-W12 PolarHBondContact O-N 3.44Å; N9-W12 VanDerWaalsContact O-N 3.08Å; N9-W12 PolarHBondContact OD1-N 2.72Å; N9-L13 WeakPolarHBondContact O-CB 3.32Å; N9-L13 PolarHBondContact O-N 2.86Å; N9-E36 HydrophobicContact CB-CG 3.61Å; N9-E36 WeakPolarHBondContact CB-OE1 3.12Å; N9-E36 PolarHBondContact ND2-OE1 3.48Å |
| 10 | V | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -1.9 | -175.1 | -60.8 | 0 | 0 | 0 | 0 | 113.4 | A8 W12 F14 L20 R23 L24 A27 A35 E36 V37 | A8-V10 HydrophobicContact CB-CG1 4.24Å; A8-V10 PolarHBondContact O-N 3.39Å; A8-V10 VanDerWaalsContact O-N 3.13Å; V10-W12 VanDerWaalsContact C-N 3.28Å; V10-F14 HydrophobicContact CG1-CD2 4.34Å; V10-L20 HydrophobicContact CG2-CD2 4.16Å; V10-R23 HydrophobicContact CB-CB 3.92Å; V10-R23 HydrophobicContact CG1-CB 4.29Å; V10-R23 VanDerWaalsContact O-CD 3.28Å; V10-R23 WeakPolarHBondContact O-CD 3.48Å; V10-R23 PolarHBondContact O-NH1 2.88Å; V10-L24 HydrophobicContact CG1-CD2 4.28Å; V10-L24 HydrophobicContact CG2-CD2 4.06Å; V10-L24 HydrophobicContact CG2-CG 4.48Å; V10-A27 HydrophobicContact CG1-CB 4.03Å; V10-A35 HydrophobicContact CG1-CB 4.43Å; V10-E36 WeakPolarHBondContact CG2-O 3.28Å; V10-E36 PolarHBondContact N-O 3.06Å; V10-E36 VanDerWaalsContact N-O 3.1Å; V10-V37 HydrophobicContact CG2-CG2 3.51Å |
| 11 | S | 96.9 | Very high | 95.2 | Very high | 34 Ų | 34 | 82.9 Ų | 82.9 | 24% | 0.238 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -21.4 | 164.5 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | N9 A38 | N9-S11 PolarHBondContact O-N 2.93Å; N9-S11 VanDerWaalsContact OD1-CB 3.32Å; N9-S11 WeakPolarHBondContact OD1-CB 3.24Å; N9-S11 PolarHBondContact OD1-N 3.13Å; N9-S11 VanDerWaalsContact OD1-N 3.13Å; S11-A38 WeakPolarHBondContact OG-CB 3.43Å; S11-A38 PolarHBondContact OG-N 3.01Å |
| 12 | W | 97.6 | Very high | 96.2 | Very high | 201 Ų | 201 | 75.8 Ų | 75.8 | 76% | 0.761 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -33.5 | 179 | -56.3 | 114.7 | 0 | 0 | 0 | 113.6 | N9 V10 | N9-W12 PolarHBondContact O-N 3.44Å; N9-W12 VanDerWaalsContact O-N 3.08Å; N9-W12 PolarHBondContact OD1-N 2.72Å; V10-W12 VanDerWaalsContact C-N 3.28Å |
| 13 | L | 98.4 | Very high | 97 | Very high | 76 Ų | 76 | 73.9 Ų | 73.9 | 40% | 0.398 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -86.9 | 154.7 | 177.6 | -62.2 | 178.4 | 0 | 0 | 0 | 111.6 | A8 N9 P15 | A8-L13 HydrophobicContact CB-CD1 4.25Å; N9-L13 WeakPolarHBondContact O-CB 3.32Å; N9-L13 PolarHBondContact O-N 2.86Å; L13-P15 VanDerWaalsContact C-CD 3.44Å |
| 14 | F | 98.4 | Very high | 97.5 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | trans | 55.5 | 42 | -178.3 | -43.7 | -73.4 | 0 | 0 | 0 | 114.3 | V10 E16 L17 R23 A26 A27 A30 | V10-F14 HydrophobicContact CG1-CD2 4.34Å; F14-E16 WeakPolarHBondContact CA-OE2 3.43Å; F14-E16 PolarHBondContact O-N 3.08Å; F14-E16 VanDerWaalsContact O-N 3.14Å; F14-L17 HydrophobicContact CB-CD1 4.18Å; F14-L17 PolarHBondContact O-N 3.28Å; F14-L17 VanDerWaalsContact O-N 3.11Å; F14-R23 HydrophobicContact CB-CB 4.19Å; F14-R23 HydrophobicContact CB-CG 4Å; F14-R23 WeakPolarHBondContact O-CG 3.48Å; F14-R23 PolarHBondContact O-NE 2.95Å; F14-A26 HydrophobicContact CB-CB 4.26Å; F14-A26 HydrophobicContact CD1-CB 3.62Å; F14-A26 HydrophobicContact CD2-CB 4.14Å; F14-A26 HydrophobicContact CE1-CB 3.94Å; F14-A26 HydrophobicContact CE2-CB 4.44Å; F14-A26 HydrophobicContact CG-CB 3.72Å; F14-A26 HydrophobicContact CZ-CB 4.34Å; F14-A27 HydrophobicContact CE2-CB 3.78Å; F14-A27 HydrophobicContact CZ-CB 4.42Å; F14-A30 HydrophobicContact CE1-CB 4.49Å; F14-A30 HydrophobicContact CZ-CB 4.07Å | ||
| 15 | P | 97.7 | Very high | 97.7 | Very high | 88 Ų | 88 | 64.5 Ų | 64.5 | 57% | 0.571 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.7 | -176.9 | 29.6 | -38.1 | 0 | 0 | 0 | 113.7 | L13 L17 R23 | L13-P15 VanDerWaalsContact C-CD 3.44Å; P15-L17 PolarHBondContact O-N 3.13Å; P15-R23 PolarHBondContact O-NH2 2.86Å |
| 16 | E | 98.2 | Very high | 97.9 | Very high | 143 Ų | 143 | 56.6 Ų | 56.6 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -15.8 | 176.5 | 68.9 | -80.1 | -173.4 | 0 | 0 | 113.9 | F14 | F14-E16 WeakPolarHBondContact CA-OE2 3.43Å; F14-E16 PolarHBondContact O-N 3.08Å; F14-E16 VanDerWaalsContact O-N 3.14Å |
| 17 | L | 98.1 | Very high | 97.9 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -96.3 | 142 | 178.6 | -59.4 | 177.5 | 0 | 0 | 0 | 111.6 | F14 P15 E22 R23 A26 | F14-L17 HydrophobicContact CB-CD1 4.18Å; F14-L17 PolarHBondContact O-N 3.28Å; F14-L17 VanDerWaalsContact O-N 3.11Å; P15-L17 PolarHBondContact O-N 3.13Å; L17-E22 HydrophobicContact CB-CB 4.19Å; L17-R23 HydrophobicContact CB-CG 3.95Å; L17-R23 PolarHBondContact O-NE 3.04Å; L17-R23 PolarHBondContact O-NH2 3.1Å; L17-R23 VanDerWaalsContact O-NH2 3.14Å; L17-A26 HydrophobicContact CD1-CB 3.42Å; L17-A26 VanDerWaalsContact CD1-CB 3.42Å |
| 18 | P | 95.1 | Very high | 97.9 | Very high | 87 Ų | 87 | 49 Ų | 49 | 57% | 0.565 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -69.9 | 148.7 | 177.2 | 31.3 | -35 | 0 | 0 | 0 | 110.5 | E22 | P18-E22 HydrophobicContact CG-CG 4.17Å; P18-E22 WeakPolarHBondContact O-CB 3.45Å |
| 19 | G | 95.3 | Very high | 97.9 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 32% | 0.32 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 178.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R23 E43 | G19-R23 WeakPolarHBondContact O-CD 3.39Å; G19-R23 WeakPolarHBondContact O-CG 3.1Å; G19-R23 PolarHBondContact O-NE 3.23Å; G19-R23 VanDerWaalsContact O-NE 3.13Å; G19-E43 WeakPolarHBondContact CA-OE1 3.4Å |
| 20 | L | 97.6 | Very high | 97.9 | Very high | 17 Ų | 17 | 58.9 Ų | 58.9 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -35.9 | 171.8 | -64.2 | 165.7 | 0 | 0 | 0 | 114 | V10 E22 R23 L24 V37 P40 E43 L48 | V10-L20 HydrophobicContact CG2-CD2 4.16Å; L20-E22 PolarHBondContact O-N 2.94Å; L20-R23 PolarHBondContact O-N 3.22Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 2.92Å; L20-V37 HydrophobicContact CD1-CG1 3.42Å; L20-V37 VanDerWaalsContact CD1-CG1 3.42Å; L20-V37 HydrophobicContact CD2-CG1 3.86Å; L20-V37 HydrophobicContact CG-CG1 4.24Å; L20-P40 HydrophobicContact CD1-CB 4.19Å; L20-E43 HydrophobicContact CB-CG 4.07Å; L20-E43 HydrophobicContact CD1-CG 3.74Å; L20-E43 HydrophobicContact CG-CG 4.22Å; L20-E43 PolarHBondContact N-OE1 3.41Å; L20-L48 HydrophobicContact CB-CD2 3.79Å; L20-L48 HydrophobicContact CD1-CD2 4.47Å |
| 21 | P | 97.5 | Very high | 97.9 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 10% | 0.104 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.4 | -47.2 | 179 | -29.9 | 38.4 | 0 | 0 | 0 | 114.1 | R23 L24 H25 A47 A51 | P21-R23 VanDerWaalsContact C-N 3.3Å; P21-R23 PolarHBondContact O-N 3.47Å; P21-L24 WeakPolarHBondContact O-CB 3.41Å; P21-L24 PolarHBondContact O-N 2.87Å; P21-H25 PolarHBondContact O-CD2 3.15Å; P21-H25 PolarHBondContact O-N 3.3Å; P21-A47 HydrophobicContact CG-CB 4.49Å; P21-A51 HydrophobicContact CB-CB 3.79Å |
| 22 | E | 98.2 | Very high | 98 | Very high | 86 Ų | 86 | 63 Ų | 63 | 40% | 0.402 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.8 | -34.8 | -178.7 | -67.3 | 74.2 | -177.5 | 0 | 0 | 111.5 | L17 P18 L20 H25 A26 | L17-E22 HydrophobicContact CB-CB 4.19Å; P18-E22 HydrophobicContact CG-CG 4.17Å; P18-E22 WeakPolarHBondContact O-CB 3.45Å; L20-E22 PolarHBondContact O-N 2.94Å; E22-H25 PolarHBondContact O-N 3.35Å; E22-A26 PolarHBondContact O-N 3.26Å |
| 23 | R | 98.6 | Very high | 98 | Very high | 46 Ų | 46 | 59.3 Ų | 59.3 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.4 | -36 | 175 | -61.5 | 179.9 | -171.9 | -167 | -0.8 | 112.2 | V10 F14 P15 L17 G19 L20 P21 A26 A27 | V10-R23 HydrophobicContact CB-CB 3.92Å; V10-R23 HydrophobicContact CG1-CB 4.29Å; V10-R23 VanDerWaalsContact O-CD 3.28Å; V10-R23 WeakPolarHBondContact O-CD 3.48Å; V10-R23 PolarHBondContact O-NH1 2.88Å; F14-R23 HydrophobicContact CB-CB 4.19Å; F14-R23 HydrophobicContact CB-CG 4Å; F14-R23 WeakPolarHBondContact O-CG 3.48Å; F14-R23 PolarHBondContact O-NE 2.95Å; P15-R23 PolarHBondContact O-NH2 2.86Å; L17-R23 HydrophobicContact CB-CG 3.95Å; L17-R23 PolarHBondContact O-NE 3.04Å; L17-R23 PolarHBondContact O-NH2 3.1Å; L17-R23 VanDerWaalsContact O-NH2 3.14Å; G19-R23 WeakPolarHBondContact O-CD 3.39Å; G19-R23 WeakPolarHBondContact O-CG 3.1Å; G19-R23 PolarHBondContact O-NE 3.23Å; G19-R23 VanDerWaalsContact O-NE 3.13Å; L20-R23 PolarHBondContact O-N 3.22Å; P21-R23 VanDerWaalsContact C-N 3.3Å; P21-R23 PolarHBondContact O-N 3.47Å; R23-A26 PolarHBondContact O-N 3.01Å; R23-A27 PolarHBondContact O-N 3.43Å |
| 24 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 170.6 | -70.9 | 172.8 | 0 | 0 | 0 | 111 | V10 L20 P21 A26 A27 G28 A35 L48 A51 A52 A55 L57 L59 | V10-L24 HydrophobicContact CG1-CD2 4.28Å; V10-L24 HydrophobicContact CG2-CD2 4.06Å; V10-L24 HydrophobicContact CG2-CG 4.48Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 2.92Å; P21-L24 WeakPolarHBondContact O-CB 3.41Å; P21-L24 PolarHBondContact O-N 2.87Å; L24-A26 VanDerWaalsContact C-N 3.28Å; L24-A26 PolarHBondContact O-N 3.36Å; L24-A27 PolarHBondContact O-N 3.36Å; L24-G28 PolarHBondContact O-N 2.98Å; L24-A35 HydrophobicContact CD2-CB 3.56Å; L24-L48 HydrophobicContact CD1-CD2 3.65Å; L24-A51 HydrophobicContact CB-CB 4.33Å; L24-A51 HydrophobicContact CD1-CB 4.12Å; L24-A52 HydrophobicContact CD1-CB 4.27Å; L24-A55 WeakPolarHBondContact O-CB 3.14Å; L24-L57 HydrophobicContact CB-CD1 4.11Å; L24-L57 HydrophobicContact CD2-CD1 3.92Å; L24-L57 WeakPolarHBondContact O-CD1 3.16Å; L24-L59 HydrophobicContact CD2-CD2 4.35Å |
| 25 | H | 98.6 | Very high | 98 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 27% | 0.269 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 173.9 | -68.2 | -62.7 | 0 | 0 | 0 | 112.4 | P21 E22 G28 R29 | P21-H25 PolarHBondContact O-CD2 3.15Å; P21-H25 PolarHBondContact O-N 3.3Å; E22-H25 PolarHBondContact O-N 3.35Å; H25-G28 PolarHBondContact O-N 3.28Å; H25-R29 WeakPolarHBondContact O-CG 3.25Å; H25-R29 PolarHBondContact O-N 3.13Å; H25-R29 PolarHBondContact O-NH1 3.03Å |
| 26 | A | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | F14 L17 E22 R23 L24 G28 R29 A30 | F14-A26 HydrophobicContact CB-CB 4.26Å; F14-A26 HydrophobicContact CD1-CB 3.62Å; F14-A26 HydrophobicContact CD2-CB 4.14Å; F14-A26 HydrophobicContact CE1-CB 3.94Å; F14-A26 HydrophobicContact CE2-CB 4.44Å; F14-A26 HydrophobicContact CG-CB 3.72Å; F14-A26 HydrophobicContact CZ-CB 4.34Å; L17-A26 HydrophobicContact CD1-CB 3.42Å; L17-A26 VanDerWaalsContact CD1-CB 3.42Å; E22-A26 PolarHBondContact O-N 3.26Å; R23-A26 PolarHBondContact O-N 3.01Å; L24-A26 VanDerWaalsContact C-N 3.28Å; L24-A26 PolarHBondContact O-N 3.36Å; A26-G28 VanDerWaalsContact C-N 3.35Å; A26-G28 PolarHBondContact O-N 2.86Å; A26-R29 PolarHBondContact O-N 3.42Å; A26-A30 WeakPolarHBondContact O-CB 3.44Å; A26-A30 PolarHBondContact O-N 3.11Å |
| 27 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | A8 V10 F14 R23 L24 A30 G31 F32 L57 | A8-A27 HydrophobicContact CB-CB 3.68Å; V10-A27 HydrophobicContact CG1-CB 4.03Å; F14-A27 HydrophobicContact CE2-CB 3.78Å; F14-A27 HydrophobicContact CZ-CB 4.42Å; R23-A27 PolarHBondContact O-N 3.43Å; L24-A27 PolarHBondContact O-N 3.36Å; A27-A30 PolarHBondContact O-N 3.14Å; A27-G31 PolarHBondContact O-N 3.14Å; A27-F32 HydrophobicContact CB-CD2 4.48Å; A27-F32 PolarHBondContact O-N 3.37Å; A27-F32 VanDerWaalsContact O-N 3.15Å; A27-L57 HydrophobicContact CB-CD1 3.84Å |
| 28 | G | 98.6 | Very high | 97.9 | Very high | 20 Ų | 20 | 43.9 Ų | 43.9 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L24 H25 A26 A30 G31 A55 | L24-G28 PolarHBondContact O-N 2.98Å; H25-G28 PolarHBondContact O-N 3.28Å; A26-G28 VanDerWaalsContact C-N 3.35Å; A26-G28 PolarHBondContact O-N 2.86Å; G28-A30 PolarHBondContact O-N 3.21Å; G28-G31 PolarHBondContact O-N 2.91Å; G28-A55 WeakPolarHBondContact CA-O 3.43Å |
| 29 | R | 98.6 | Very high | 98 | Very high | 179 Ų | 179 | 44.3 Ų | 44.3 | 68% | 0.675 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.6 | -29.6 | 175.3 | -71.5 | -171.1 | -57.3 | -89.1 | 1.9 | 113.4 | H25 A26 G31 | H25-R29 WeakPolarHBondContact O-CG 3.25Å; H25-R29 PolarHBondContact O-N 3.13Å; H25-R29 PolarHBondContact O-NH1 3.03Å; A26-R29 PolarHBondContact O-N 3.42Å; R29-G31 PolarHBondContact O-N 3.26Å |
| 30 | A | 98.4 | Very high | 98 | Very high | 61 Ų | 61 | 43.4 Ų | 43.4 | 50% | 0.504 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -1.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F14 A26 A27 G28 F32 | F14-A30 HydrophobicContact CE1-CB 4.49Å; F14-A30 HydrophobicContact CZ-CB 4.07Å; A26-A30 WeakPolarHBondContact O-CB 3.44Å; A26-A30 PolarHBondContact O-N 3.11Å; A27-A30 PolarHBondContact O-N 3.14Å; G28-A30 PolarHBondContact O-N 3.21Å; A30-F32 HydrophobicContact CB-CD2 4.02Å; A30-F32 HydrophobicContact CB-CE2 4.17Å |
| 31 | G | 98.1 | Very high | 97.8 | Very high | 62 Ų | 62 | 48.2 Ų | 48.2 | 64% | 0.639 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | 13.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A27 G28 R29 | A27-G31 PolarHBondContact O-N 3.14Å; G28-G31 PolarHBondContact O-N 2.91Å; R29-G31 PolarHBondContact O-N 3.26Å |
| 32 | F | 98.4 | Very high | 97.6 | Very high | 58 Ų | 58 | 53.8 Ų | 53.8 | 25% | 0.254 | 28% | 0.28 | S | S | . | . | trans | -72.3 | 147.6 | 170 | -70.2 | -90.6 | 0 | 0 | 0 | 110.7 | F6 A8 A27 A30 L57 | F6-F32 HydrophobicContact CB-CD1 4.2Å; F6-F32 HydrophobicContact CB-CE1 3.95Å; A8-F32 HydrophobicContact CB-CB 4.21Å; A8-F32 HydrophobicContact CB-CD1 3.81Å; A8-F32 HydrophobicContact CB-CD2 3.85Å; A8-F32 HydrophobicContact CB-CE1 4.06Å; A8-F32 HydrophobicContact CB-CE2 4.1Å; A8-F32 HydrophobicContact CB-CG 3.69Å; A8-F32 HydrophobicContact CB-CZ 4.2Å; A27-F32 HydrophobicContact CB-CD2 4.48Å; A27-F32 PolarHBondContact O-N 3.37Å; A27-F32 VanDerWaalsContact O-N 3.15Å; A30-F32 HydrophobicContact CB-CD2 4.02Å; A30-F32 HydrophobicContact CB-CE2 4.17Å; F32-L57 HydrophobicContact CB-CD2 3.98Å; F32-L57 WeakPolarHBondContact O-CD2 3.46Å | ||
| 33 | E | 98.3 | Very high | 97.4 | Very high | 125 Ų | 125 | 52 Ų | 52 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -107.8 | -6.4 | 173.2 | -61.3 | 178.4 | -170.2 | 0 | 0 | 112.6 | R58 | E33-R58 PolarHBondContact O-N 3.05Å; E33-R58 IonicContact OE2-NH2 3.71Å |
| 34 | A | 98.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 148.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S7 A8 R58 V60 | S7-A34 WeakPolarHBondContact CA-O 3.45Å; A8-A34 PolarHBondContact N-O 3.39Å; A34-R58 CarbonylContact C-O 3.55Å; A34-R58 VanDerWaalsContact CA-O 3.24Å; A34-R58 WeakPolarHBondContact CA-O 3.34Å; A34-V60 HydrophobicContact CB-CG1 3.85Å; A34-V60 HydrophobicContact CB-CG2 4.2Å |
| 35 | A | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 157.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A8 V10 L24 L57 R58 L59 V60 | A8-A35 HydrophobicContact CB-CB 4.48Å; A8-A35 CarbonylContact O-C 3.57Å; A8-A35 VanDerWaalsContact O-CA 3.23Å; A8-A35 WeakPolarHBondContact O-CA 3.23Å; A8-A35 WeakPolarHBondContact O-CB 3.46Å; V10-A35 HydrophobicContact CG1-CB 4.43Å; L24-A35 HydrophobicContact CD2-CB 3.56Å; A35-L57 HydrophobicContact CB-CD1 4.05Å; A35-R58 PolarHBondContact N-O 3.45Å; A35-L59 CarbonylContact O-C 3.57Å; A35-L59 WeakPolarHBondContact O-CA 3.34Å; A35-V60 WeakPolarHBondContact O-CG2 3.47Å; A35-V60 PolarHBondContact O-N 2.91Å |
| 36 | E | 98.7 | Very high | 97.1 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 23% | 0.229 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.6 | 173 | 61.1 | -172.6 | -132.6 | 0 | 0 | 110.5 | S7 A8 N9 V10 L61 | S7-E36 PolarHBondContact OG-N 3.33Å; S7-E36 PolarHBondContact OG-OE2 3.48Å; A8-E36 PolarHBondContact O-N 2.98Å; N9-E36 HydrophobicContact CB-CG 3.61Å; N9-E36 WeakPolarHBondContact CB-OE1 3.12Å; N9-E36 PolarHBondContact ND2-OE1 3.48Å; V10-E36 WeakPolarHBondContact CG2-O 3.28Å; V10-E36 PolarHBondContact N-O 3.06Å; V10-E36 VanDerWaalsContact N-O 3.1Å; E36-L61 WeakPolarHBondContact CA-O 3.37Å; E36-L61 HydrophobicContact CB-CB 3.76Å; E36-L61 HydrophobicContact CB-CD2 4.12Å |
| 37 | V | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 123.2 | -176.5 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | V10 L20 P40 L59 L61 I62 | V10-V37 HydrophobicContact CG2-CG2 3.51Å; L20-V37 HydrophobicContact CD1-CG1 3.42Å; L20-V37 VanDerWaalsContact CD1-CG1 3.42Å; L20-V37 HydrophobicContact CD2-CG1 3.86Å; L20-V37 HydrophobicContact CG-CG1 4.24Å; V37-P40 HydrophobicContact CG1-CB 3.85Å; V37-P40 HydrophobicContact CG1-CG 4.32Å; V37-L59 HydrophobicContact CB-CD2 4.4Å; V37-L59 HydrophobicContact CG2-CD2 3.59Å; V37-L61 PolarHBondContact N-O 2.78Å; V37-I62 HydrophobicContact CB-CG2 4.45Å; V37-I62 VanDerWaalsContact O-CA 3.25Å; V37-I62 WeakPolarHBondContact O-CA 3.17Å |
| 38 | A | 95.9 | Very high | 96.9 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -61.1 | -62.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S11 N63 | S11-A38 WeakPolarHBondContact OG-CB 3.43Å; S11-A38 PolarHBondContact OG-N 3.01Å; A38-N63 WeakPolarHBondContact O-CA 3.28Å; A38-N63 WeakPolarHBondContact O-CB 3.28Å; A38-N63 PolarHBondContact O-N 2.91Å |
| 39 | W | 95.2 | Very high | 96.8 | Very high | 96 Ų | 96 | 64 Ų | 64 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | trans | -136 | 90.6 | -176.6 | -59.8 | -69 | 0 | 0 | 0 | 111.2 | Y41 T64 R66 | W39-Y41 HydrophobicContact CB-CD2 4.16Å; W39-Y41 HydrophobicContact CB-CE2 4.47Å; W39-Y41 PolarHBondContact O-N 3.23Å; W39-T64 PolarHBondContact NE1-O 2.95Å; W39-R66 HydrophobicContact CD2-CG 3.85Å; W39-R66 VanDerWaalsContact CE2-NE 3.33Å; W39-R66 HydrophobicContact CG-CG 3.89Å; W39-R66 VanDerWaalsContact CH2-CZ 3.46Å; W39-R66 HydrophobicContact CZ2-CG 4.18Å; W39-R66 VanDerWaalsContact CZ2-NE 3.32Å; W39-R66 VanDerWaalsContact NE1-CG 3.33Å | ||
| 40 | P | 95.8 | Very high | 96.8 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 8% | 0.078 | 34% | 0.341 | C | S | . | . | trans | -77.6 | 2 | -175.9 | 28 | -32.4 | 0 | 0 | 0 | 115.1 | L20 V37 T42 E43 L48 I62 | L20-P40 HydrophobicContact CD1-CB 4.19Å; V37-P40 HydrophobicContact CG1-CB 3.85Å; V37-P40 HydrophobicContact CG1-CG 4.32Å; P40-T42 PolarHBondContact O-N 3.42Å; P40-E43 WeakPolarHBondContact O-CB 3.21Å; P40-E43 PolarHBondContact O-N 3.29Å; P40-L48 HydrophobicContact CB-CD1 3.33Å; P40-I62 HydrophobicContact CG-CB 4.38Å; P40-I62 HydrophobicContact CG-CG2 4.09Å | ||
| 41 | Y | 94.1 | Very high | 96.8 | Very high | 117 Ų | 117 | 55.8 Ų | 55.8 | 46% | 0.459 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -9.5 | -159.9 | -56.5 | -62.8 | 0 | 0 | 0 | 116.2 | W39 N63 T64 P65 | W39-Y41 HydrophobicContact CB-CD2 4.16Å; W39-Y41 HydrophobicContact CB-CE2 4.47Å; W39-Y41 PolarHBondContact O-N 3.23Å; Y41-N63 WeakPolarHBondContact CE2-O 3.26Å; Y41-N63 PolarHBondContact OH-O 3.35Å; Y41-T64 VanDerWaalsContact OH-C 3.29Å; Y41-T64 VanDerWaalsContact OH-CA 3.29Å; Y41-T64 WeakPolarHBondContact OH-CA 3.28Å; Y41-P65 HydrophobicContact CE1-CG 4.27Å; Y41-P65 VanDerWaalsContact CE2-CA 3.47Å; Y41-P65 HydrophobicContact CE2-CB 4.2Å; Y41-P65 HydrophobicContact CE2-CG 3.99Å; Y41-P65 VanDerWaalsContact OH-CD 3.25Å; Y41-P65 WeakPolarHBondContact OH-CD 3.43Å |
| 42 | T | 92.2 | Very high | 96.8 | Very high | 134 Ų | 134 | 53.1 Ų | 53.1 | 82% | 0.822 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -15.6 | 171.2 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | P40 | P40-T42 PolarHBondContact O-N 3.42Š|
| 43 | E | 94.6 | Very high | 96.8 | Very high | 49 Ų | 49 | 57.6 Ų | 57.6 | 23% | 0.229 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -91.9 | 153.1 | 179.5 | -59.1 | -70.3 | -179 | 0 | 0 | 110.9 | G19 L20 P40 P45 L48 | G19-E43 WeakPolarHBondContact CA-OE1 3.4Å; L20-E43 HydrophobicContact CB-CG 4.07Å; L20-E43 HydrophobicContact CD1-CG 3.74Å; L20-E43 HydrophobicContact CG-CG 4.22Å; L20-E43 PolarHBondContact N-OE1 3.41Å; P40-E43 WeakPolarHBondContact O-CB 3.21Å; P40-E43 PolarHBondContact O-N 3.29Å; E43-P45 WeakPolarHBondContact O-CD 3.49Å; E43-L48 HydrophobicContact CB-CD1 3.51Å; E43-L48 HydrophobicContact CB-CG 3.85Å; E43-L48 HydrophobicContact CG-CD1 4.08Å; E43-L48 HydrophobicContact CG-CG 4.28Å |
| 44 | S | 95.9 | Very high | 96.8 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 37% | 0.371 | 31% | 0.314 | S | S | . | . | trans | -63.6 | 129.9 | 166.2 | 162.7 | 0 | 0 | 0 | 0 | 109.7 | Q46 A47 L48 | S44-Q46 PolarHBondContact O-N 3.41Å; S44-Q46 PolarHBondContact OG-N 2.96Å; S44-Q46 PolarHBondContact OG-OE1 3.25Å; S44-A47 PolarHBondContact O-N 2.67Å; S44-A47 VanDerWaalsContact O-N 3.14Å; S44-A47 PolarHBondContact OG-N 2.93Å; S44-L48 PolarHBondContact O-N 3.26Å | ||
| 45 | P | 95.9 | Very high | 96.8 | Very high | 94 Ų | 94 | 57 Ų | 57 | 61% | 0.61 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56 | -35.6 | 172.8 | -26.5 | 35 | 0 | 0 | 0 | 112.8 | E43 A49 | E43-P45 WeakPolarHBondContact O-CD 3.49Å; P45-A49 VanDerWaalsContact O-CB 3.28Å; P45-A49 WeakPolarHBondContact O-CB 3.39Å; P45-A49 PolarHBondContact O-N 3.42Å |
| 46 | Q | 97.6 | Very high | 96.8 | Very high | 138 Ų | 138 | 59.8 Ų | 59.8 | 65% | 0.645 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.9 | -41.8 | 178.2 | -64.7 | 74.7 | 19.2 | 0 | 0 | 111.5 | S44 A49 S50 | S44-Q46 PolarHBondContact O-N 3.41Å; S44-Q46 PolarHBondContact OG-N 2.96Å; S44-Q46 PolarHBondContact OG-OE1 3.25Å; Q46-A49 PolarHBondContact O-N 3.42Å; Q46-S50 VanDerWaalsContact O-CB 3.28Å; Q46-S50 WeakPolarHBondContact O-CB 3.29Å; Q46-S50 PolarHBondContact O-N 3.4Å |
| 47 | A | 96.3 | Very high | 96.8 | Very high | 40 Ų | 40 | 58 Ų | 58 | 33% | 0.331 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | P21 S44 S50 A51 | P21-A47 HydrophobicContact CG-CB 4.49Å; S44-A47 PolarHBondContact O-N 2.67Å; S44-A47 VanDerWaalsContact O-N 3.14Å; S44-A47 PolarHBondContact OG-N 2.93Å; A47-S50 PolarHBondContact O-N 2.94Å; A47-A51 WeakPolarHBondContact O-CB 3.43Å; A47-A51 PolarHBondContact O-N 3.45Å |
| 48 | L | 96.6 | Very high | 96.8 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 6% | 0.063 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61 | -45.8 | 175.5 | -89.9 | 166.2 | 0 | 0 | 0 | 112.8 | L20 L24 P40 E43 S44 A51 A52 | L20-L48 HydrophobicContact CB-CD2 3.79Å; L20-L48 HydrophobicContact CD1-CD2 4.47Å; L24-L48 HydrophobicContact CD1-CD2 3.65Å; P40-L48 HydrophobicContact CB-CD1 3.33Å; E43-L48 HydrophobicContact CB-CD1 3.51Å; E43-L48 HydrophobicContact CB-CG 3.85Å; E43-L48 HydrophobicContact CG-CD1 4.08Å; E43-L48 HydrophobicContact CG-CG 4.28Å; S44-L48 PolarHBondContact O-N 3.26Å; L48-A51 PolarHBondContact O-N 2.88Å; L48-A52 WeakPolarHBondContact O-CB 3.45Å; L48-A52 PolarHBondContact O-N 2.88Å |
| 49 | A | 97.2 | Very high | 96.9 | Very high | 44 Ų | 44 | 66.6 Ų | 66.6 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P45 Q46 A52 Q53 | P45-A49 VanDerWaalsContact O-CB 3.28Å; P45-A49 WeakPolarHBondContact O-CB 3.39Å; P45-A49 PolarHBondContact O-N 3.42Å; Q46-A49 PolarHBondContact O-N 3.42Å; A49-A52 PolarHBondContact O-N 3.41Å; A49-Q53 WeakPolarHBondContact O-CB 3.25Å; A49-Q53 VanDerWaalsContact O-CG 3.28Å; A49-Q53 WeakPolarHBondContact O-CG 3.43Å; A49-Q53 PolarHBondContact O-N 2.95Å |
| 50 | S | 98.2 | Very high | 97 | Very high | 66 Ų | 66 | 65.9 Ų | 65.9 | 46% | 0.462 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 177.2 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | Q46 A47 Q53 T54 | Q46-S50 VanDerWaalsContact O-CB 3.28Å; Q46-S50 WeakPolarHBondContact O-CB 3.29Å; Q46-S50 PolarHBondContact O-N 3.4Å; A47-S50 PolarHBondContact O-N 2.94Å; S50-Q53 PolarHBondContact O-N 3.34Å; S50-T54 VanDerWaalsContact O-CB 3.26Å; S50-T54 WeakPolarHBondContact O-CB 3.41Å; S50-T54 PolarHBondContact O-N 3.04Å; S50-T54 PolarHBondContact O-OG1 3.09Å |
| 51 | A | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 69 Ų | 69 | 2% | 0.017 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P21 L24 A47 L48 T54 A55 | P21-A51 HydrophobicContact CB-CB 3.79Å; L24-A51 HydrophobicContact CB-CB 4.33Å; L24-A51 HydrophobicContact CD1-CB 4.12Å; A47-A51 WeakPolarHBondContact O-CB 3.43Å; A47-A51 PolarHBondContact O-N 3.45Å; L48-A51 PolarHBondContact O-N 2.88Å; A51-T54 PolarHBondContact O-N 3.11Å; A51-A55 WeakPolarHBondContact O-CB 3.46Å; A51-A55 PolarHBondContact O-N 3.45Å |
| 52 | A | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 67.9 Ų | 67.9 | 6% | 0.058 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L24 L48 A49 A55 G56 L57 L59 | L24-A52 HydrophobicContact CD1-CB 4.27Å; L48-A52 WeakPolarHBondContact O-CB 3.45Å; L48-A52 PolarHBondContact O-N 2.88Å; A49-A52 PolarHBondContact O-N 3.41Å; A52-A55 PolarHBondContact O-N 3.43Å; A52-G56 PolarHBondContact O-N 3.05Å; A52-G56 VanDerWaalsContact O-N 3.11Å; A52-L57 PolarHBondContact O-N 3.23Å; A52-L59 HydrophobicContact CB-CD1 3.96Å; A52-L59 HydrophobicContact CB-CG 4.28Å |
| 53 | Q | 98.5 | Very high | 97.5 | Very high | 152 Ų | 152 | 64.4 Ų | 64.4 | 71% | 0.71 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.9 | -47.9 | 177 | -75.3 | 174.1 | 11.2 | 0 | 0 | 111.9 | A49 S50 A55 G56 | A49-Q53 WeakPolarHBondContact O-CB 3.25Å; A49-Q53 VanDerWaalsContact O-CG 3.28Å; A49-Q53 WeakPolarHBondContact O-CG 3.43Å; A49-Q53 PolarHBondContact O-N 2.95Å; S50-Q53 PolarHBondContact O-N 3.34Å; Q53-A55 VanDerWaalsContact C-N 3.29Å; Q53-A55 PolarHBondContact O-N 3.12Å; Q53-G56 PolarHBondContact O-N 2.92Å; Q53-G56 VanDerWaalsContact O-N 3.09Å |
| 54 | T | 98.6 | Very high | 97.6 | Very high | 102 Ų | 102 | 67.5 Ų | 67.5 | 63% | 0.626 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.7 | -35.4 | 179.7 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | S50 A51 G56 | S50-T54 VanDerWaalsContact O-CB 3.26Å; S50-T54 WeakPolarHBondContact O-CB 3.41Å; S50-T54 PolarHBondContact O-N 3.04Å; S50-T54 PolarHBondContact O-OG1 3.09Å; A51-T54 PolarHBondContact O-N 3.11Å; T54-G56 VanDerWaalsContact C-N 3.25Å; T54-G56 PolarHBondContact O-N 2.97Å |
| 55 | A | 98.6 | Very high | 97.5 | Very high | 18 Ų | 18 | 69.2 Ų | 69.2 | 15% | 0.149 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L24 G28 A51 A52 Q53 L57 | L24-A55 WeakPolarHBondContact O-CB 3.14Å; G28-A55 WeakPolarHBondContact CA-O 3.43Å; A51-A55 WeakPolarHBondContact O-CB 3.46Å; A51-A55 PolarHBondContact O-N 3.45Å; A52-A55 PolarHBondContact O-N 3.43Å; Q53-A55 VanDerWaalsContact C-N 3.29Å; Q53-A55 PolarHBondContact O-N 3.12Å; A55-L57 VanDerWaalsContact C-N 3.25Å; A55-L57 HydrophobicContact CB-CB 4.48Å; A55-L57 HydrophobicContact CB-CD1 3.74Å; A55-L57 HydrophobicContact CB-CG 3.85Å; A55-L57 PolarHBondContact O-N 3.14Å |
| 56 | G | 98.5 | Very high | 97.2 | Very high | 59 Ų | 59 | 73.1 Ų | 73.1 | 61% | 0.608 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 22.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A52 Q53 T54 | A52-G56 PolarHBondContact O-N 3.05Å; A52-G56 VanDerWaalsContact O-N 3.11Å; Q53-G56 PolarHBondContact O-N 2.92Å; Q53-G56 VanDerWaalsContact O-N 3.09Å; T54-G56 VanDerWaalsContact C-N 3.25Å; T54-G56 PolarHBondContact O-N 2.97Å |
| 57 | L | 98.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.068 | 41% | 0.413 | C | S | . | . | trans | -98.3 | 142.1 | -174.1 | -67 | 172.5 | 0 | 0 | 0 | 112.2 | L24 A27 F32 A35 A52 A55 | L24-L57 HydrophobicContact CB-CD1 4.11Å; L24-L57 HydrophobicContact CD2-CD1 3.92Å; L24-L57 WeakPolarHBondContact O-CD1 3.16Å; A27-L57 HydrophobicContact CB-CD1 3.84Å; F32-L57 HydrophobicContact CB-CD2 3.98Å; F32-L57 WeakPolarHBondContact O-CD2 3.46Å; A35-L57 HydrophobicContact CB-CD1 4.05Å; A52-L57 PolarHBondContact O-N 3.23Å; A55-L57 VanDerWaalsContact C-N 3.25Å; A55-L57 HydrophobicContact CB-CB 4.48Å; A55-L57 HydrophobicContact CB-CD1 3.74Å; A55-L57 HydrophobicContact CB-CG 3.85Å; A55-L57 PolarHBondContact O-N 3.14Å | ||
| 58 | R | 98.3 | Very high | 95.7 | Very high | 123 Ų | 123 | 73.8 Ų | 73.8 | 46% | 0.464 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.7 | 160 | -69.8 | 176.1 | -70.3 | -166.2 | -12.4 | 110 | R5 E33 A34 A35 V60 | R5-R58 VanDerWaalsContact NH2-NH1 3.12Å; E33-R58 PolarHBondContact O-N 3.05Å; E33-R58 IonicContact OE2-NH2 3.71Å; A34-R58 CarbonylContact C-O 3.55Å; A34-R58 VanDerWaalsContact CA-O 3.24Å; A34-R58 WeakPolarHBondContact CA-O 3.34Å; A35-R58 PolarHBondContact N-O 3.45Å; R58-V60 HydrophobicContact CB-CG1 4.07Å; R58-V60 PolarHBondContact O-N 3.4Å |
| 59 | L | 97.6 | Very high | 94 | Very high | 68 Ų | 68 | 83.4 Ų | 83.4 | 36% | 0.356 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 106.3 | 165.7 | -87.9 | 162.3 | 0 | 0 | 0 | 108.8 | L24 A35 V37 A52 | L24-L59 HydrophobicContact CD2-CD2 4.35Å; A35-L59 CarbonylContact O-C 3.57Å; A35-L59 WeakPolarHBondContact O-CA 3.34Å; V37-L59 HydrophobicContact CB-CD2 4.4Å; V37-L59 HydrophobicContact CG2-CD2 3.59Å; A52-L59 HydrophobicContact CB-CD1 3.96Å; A52-L59 HydrophobicContact CB-CG 4.28Å |
| 60 | V | 98.2 | Very high | 93.8 | Very high | 80 Ų | 80 | 85.4 Ų | 85.4 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -16.2 | -172.1 | -65.9 | 0 | 0 | 0 | 0 | 113.8 | S7 A34 A35 R58 | S7-V60 WeakPolarHBondContact OG-CG2 3.35Å; A34-V60 HydrophobicContact CB-CG1 3.85Å; A34-V60 HydrophobicContact CB-CG2 4.2Å; A35-V60 WeakPolarHBondContact O-CG2 3.47Å; A35-V60 PolarHBondContact O-N 2.91Å; R58-V60 HydrophobicContact CB-CG1 4.07Å; R58-V60 PolarHBondContact O-N 3.4Å |
| 61 | L | 98.3 | Very high | 93.6 | Very high | 77 Ų | 77 | 86.4 Ų | 86.4 | 40% | 0.403 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 136.4 | 179.4 | 179.6 | 152.4 | 0 | 0 | 0 | 111.4 | E36 V37 | E36-L61 WeakPolarHBondContact CA-O 3.37Å; E36-L61 HydrophobicContact CB-CB 3.76Å; E36-L61 HydrophobicContact CB-CD2 4.12Å; V37-L61 PolarHBondContact N-O 2.78Å |
| 62 | I | 97.4 | Very high | 93.3 | Very high | 95 Ų | 95 | 91.1 Ų | 91.1 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150.1 | 162 | 65.7 | 174.2 | 0 | 0 | 0 | 109.6 | V37 P40 | V37-I62 HydrophobicContact CB-CG2 4.45Å; V37-I62 VanDerWaalsContact O-CA 3.25Å; V37-I62 WeakPolarHBondContact O-CA 3.17Å; P40-I62 HydrophobicContact CG-CB 4.38Å; P40-I62 HydrophobicContact CG-CG2 4.09Å |
| 63 | N | 96.8 | Very high | 93 | Very high | 61 Ų | 61 | 96.1 Ų | 96.1 | 33% | 0.326 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -89.1 | 153.1 | 170.5 | -56 | -29.4 | 0 | 0 | 0 | 109.9 | A38 Y41 | A38-N63 WeakPolarHBondContact O-CA 3.28Å; A38-N63 WeakPolarHBondContact O-CB 3.28Å; A38-N63 PolarHBondContact O-N 2.91Å; Y41-N63 WeakPolarHBondContact CE2-O 3.26Å; Y41-N63 PolarHBondContact OH-O 3.35Å |
| 64 | T | 95.8 | Very high | 92.7 | Very high | 113 Ų | 113 | 92.6 Ų | 92.6 | 69% | 0.693 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 162.9 | 169.1 | 49 | 0 | 0 | 0 | 0 | 112.1 | W39 Y41 R66 | W39-T64 PolarHBondContact NE1-O 2.95Å; Y41-T64 VanDerWaalsContact OH-C 3.29Å; Y41-T64 VanDerWaalsContact OH-CA 3.29Å; Y41-T64 WeakPolarHBondContact OH-CA 3.28Å; T64-R66 PolarHBondContact O-N 3.21Å |
| 65 | P | 93.8 | Very high | 92.3 | Very high | 89 Ų | 89 | 91.9 Ų | 91.9 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -53 | 139.2 | 176.4 | -26.6 | 36.5 | 0 | 0 | 0 | 111.3 | Y41 G67 | Y41-P65 HydrophobicContact CE1-CG 4.27Å; Y41-P65 VanDerWaalsContact CE2-CA 3.47Å; Y41-P65 HydrophobicContact CE2-CB 4.2Å; Y41-P65 HydrophobicContact CE2-CG 3.99Å; Y41-P65 VanDerWaalsContact OH-CD 3.25Å; Y41-P65 WeakPolarHBondContact OH-CD 3.43Å; P65-G67 PolarHBondContact O-N 3.29Å |
| 66 | R | 89.1 | Confident | 91.9 | Very high | 177 Ų | 177 | 97.2 Ų | 97.2 | 67% | 0.668 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 126.2 | 172.6 | -59.8 | -179.6 | 122.9 | 178 | -5.1 | 107.2 | W39 T64 | W39-R66 HydrophobicContact CD2-CG 3.85Å; W39-R66 VanDerWaalsContact CE2-NE 3.33Å; W39-R66 HydrophobicContact CG-CG 3.89Å; W39-R66 VanDerWaalsContact CH2-CZ 3.46Å; W39-R66 HydrophobicContact CZ2-CG 4.18Å; W39-R66 VanDerWaalsContact CZ2-NE 3.32Å; W39-R66 VanDerWaalsContact NE1-CG 3.33Å; T64-R66 PolarHBondContact O-N 3.21Å |
| 67 | G | 86.6 | Confident | 91.4 | Very high | 73 Ų | 73 | 100.2 Ų | 100.2 | 75% | 0.753 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 152.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P65 | P65-G67 PolarHBondContact O-N 3.29Š|
| 68 | S | 76.9 | Confident | 90.7 | Very high | 119 Ų | 119 | 107.4 Ų | 107.4 | 83% | 0.832 | 61% | 0.613 | S | S | * | * | trans | -79.5 | 113.5 | 166.6 | 50.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 69 | T | 60.3 | Low | 90.1 | Very high | 214 Ų | 214 | 106 Ų | 106 | 100% | 1.313 | 63% | 0.627 | S | S | * | * | trans | -58.2 | 0 | 159.6 | 43.5 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 69 of 69 residues in 62 ms
(Link to these results)