| 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 | 34.3 | Very low | 61.1 | Low | 226 Ų | 226 | 123.1 Ų | 123.1 | 100% | 1.113 | 66% | 0.662 | S | S | * | * | 0 | 90.8 | 0 | -120.9 | 165 | -179.2 | 0 | 0 | 105.1 | F3 | M1-F3 PolarHBondContact O-N 3.5Š| |||
| 2 | E | 36.4 | Very low | 63.7 | Low | 197 Ų | 197 | 113.2 Ų | 113.2 | 92% | 0.921 | 61% | 0.61 | S | S | * | * | trans | -78.4 | 105 | 178.3 | -150.4 | 171.1 | -166 | 0 | 0 | 105.1 | G4 | E2-G4 PolarHBondContact O-N 3.29Å; E2-G4 VanDerWaalsContact O-N 3.07Å | ||
| 3 | F | 41.2 | Very low | 66 | Low | 192 Ų | 192 | 113.1 Ų | 113.1 | 84% | 0.842 | 60% | 0.601 | S | S | * | * | trans | -65.3 | 108.3 | 171 | -85.4 | -94.4 | 0 | 0 | 0 | 105.7 | M1 E5 | M1-F3 PolarHBondContact O-N 3.5Å; F3-E5 PolarHBondContact O-N 3.02Å | ||
| 4 | G | 43.4 | Very low | 68 | Low | 64 Ų | 64 | 116.4 Ų | 116.4 | 66% | 0.66 | 61% | 0.611 | S | S | * | * | trans | -49.9 | 126.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | E2 E6 | E2-G4 PolarHBondContact O-N 3.29Å; E2-G4 VanDerWaalsContact O-N 3.07Å; G4-E6 PolarHBondContact O-N 3.49Å | ||
| 5 | E | 49.4 | Very low | 69.7 | Low | 190 Ų | 190 | 114.6 Ų | 114.6 | 89% | 0.888 | 60% | 0.596 | S | S | * | * | trans | -50.4 | 108.9 | 166.6 | -68.4 | 177.7 | 149.4 | 0 | 0 | 106.2 | F3 S7 | F3-E5 PolarHBondContact O-N 3.02Å; E5-S7 PolarHBondContact O-N 3.35Å | ||
| 6 | E | 49.8 | Very low | 71.2 | Confident | 194 Ų | 194 | 113.7 Ų | 113.7 | 91% | 0.907 | 59% | 0.592 | S | S | * | * | trans | -59.7 | 93.9 | 167.4 | -82.7 | -177.5 | 153.3 | 0 | 0 | 105.5 | G4 S8 | G4-E6 PolarHBondContact O-N 3.49Å; E6-S8 PolarHBondContact O-N 2.86Å | ||
| 7 | S | 65.4 | Low | 72.3 | Confident | 75 Ų | 75 | 111.1 Ų | 111.1 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | trans | -53.3 | 110.9 | 174.8 | 176.4 | 0 | 0 | 0 | 0 | 106.2 | E5 L11 | E5-S7 PolarHBondContact O-N 3.35Å; S7-L11 WeakPolarHBondContact OG-CD1 3.35Å | ||
| 8 | S | 85.1 | Confident | 73.4 | Confident | 60 Ų | 60 | 113.4 Ų | 113.4 | 42% | 0.42 | 60% | 0.596 | S | S | . | * | trans | -54 | 132 | -179.7 | 173.9 | 0 | 0 | 0 | 0 | 108.4 | E6 A10 L11 | E6-S8 PolarHBondContact O-N 2.86Å; S8-A10 PolarHBondContact O-N 3.46Å; S8-L11 VanDerWaalsContact O-CB 3.3Å; S8-L11 WeakPolarHBondContact O-CB 3.37Å; S8-L11 WeakPolarHBondContact O-CG 3.32Å; S8-L11 PolarHBondContact O-N 2.81Å | ||
| 9 | P | 86.3 | Confident | 74.5 | Confident | 39 Ų | 39 | 113.9 Ų | 113.9 | 25% | 0.253 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -61.8 | -12.8 | -179.2 | 24.7 | -34.6 | 0 | 0 | 0 | 112.4 | L11 D27 Y30 V31 | P9-L11 VanDerWaalsContact C-N 3.28Å; P9-L11 PolarHBondContact O-N 2.84Å; P9-D27 HydrophobicContact CB-CB 3.73Å; P9-Y30 HydrophobicContact CG-CD1 4.29Å; P9-V31 HydrophobicContact CB-CG2 3.99Å; P9-V31 HydrophobicContact CG-CG2 4.12Å |
| 10 | A | 88.8 | Confident | 75.6 | Confident | 47 Ų | 47 | 108.7 Ų | 108.7 | 39% | 0.388 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -69.8 | -21.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S8 A12 F13 | S8-A10 PolarHBondContact O-N 3.46Å; A10-A12 PolarHBondContact O-N 2.89Å; A10-F13 PolarHBondContact O-N 3.46Å |
| 11 | L | 91.6 | Very high | 76.6 | Confident | 70 Ų | 70 | 105.9 Ų | 105.9 | 37% | 0.366 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -67 | -24.5 | -179.8 | -66.7 | 173.9 | 0 | 0 | 0 | 112.3 | S7 S8 P9 F13 E14 | S7-L11 WeakPolarHBondContact OG-CD1 3.35Å; S8-L11 VanDerWaalsContact O-CB 3.3Å; S8-L11 WeakPolarHBondContact O-CB 3.37Å; S8-L11 WeakPolarHBondContact O-CG 3.32Å; S8-L11 PolarHBondContact O-N 2.81Å; P9-L11 VanDerWaalsContact C-N 3.28Å; P9-L11 PolarHBondContact O-N 2.84Å; L11-F13 PolarHBondContact O-N 3.32Å; L11-F13 VanDerWaalsContact O-N 3.14Å; L11-E14 PolarHBondContact O-N 3.36Å |
| 12 | A | 92.9 | Very high | 79.5 | Confident | 4 Ų | 4 | 96.8 Ų | 96.8 | 3% | 0.033 | 51% | 0.512 | C | S | . | . | G | 310 helix | trans | -58.1 | -26.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A10 E14 D24 D27 I28 | A10-A12 PolarHBondContact O-N 2.89Å; A12-E14 VanDerWaalsContact C-N 3.31Å; A12-E14 PolarHBondContact O-N 2.94Å; A12-D24 HydrophobicContact CB-CB 4Å; A12-D27 HydrophobicContact CB-CB 4Å; A12-I28 HydrophobicContact CB-CD1 4.13Å; A12-I28 HydrophobicContact CB-CG1 3.73Å |
| 13 | F | 93.1 | Very high | 82.3 | Confident | 112 Ų | 112 | 93.8 Ų | 93.8 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -75.9 | -15.7 | 176.3 | -68.8 | -82.2 | 0 | 0 | 0 | 114.3 | A10 L11 I28 V31 I32 | A10-F13 PolarHBondContact O-N 3.46Å; L11-F13 PolarHBondContact O-N 3.32Å; L11-F13 VanDerWaalsContact O-N 3.14Å; F13-I28 HydrophobicContact CD1-CG1 4.37Å; F13-I28 HydrophobicContact CD2-CG1 4.39Å; F13-I28 HydrophobicContact CE1-CB 4.45Å; F13-I28 HydrophobicContact CE1-CG1 4.1Å; F13-I28 HydrophobicContact CE1-CG2 3.85Å; F13-I28 HydrophobicContact CE2-CB 4.47Å; F13-I28 HydrophobicContact CE2-CG1 4.11Å; F13-I28 HydrophobicContact CZ-CB 4.08Å; F13-I28 HydrophobicContact CZ-CG1 3.97Å; F13-I28 HydrophobicContact CZ-CG2 3.73Å; F13-V31 HydrophobicContact CE2-CB 4.01Å; F13-V31 HydrophobicContact CE2-CG1 4Å; F13-V31 HydrophobicContact CE2-CG2 4.38Å; F13-I32 HydrophobicContact CZ-CD1 4.32Å; F13-I32 HydrophobicContact CZ-CG1 4.15Å |
| 14 | E | 93.6 | Very high | 84.9 | Confident | 159 Ų | 159 | 85 Ų | 85 | 74% | 0.743 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -93.1 | -12 | -179.1 | -59.7 | -176.2 | 175.5 | 0 | 0 | 112.3 | L11 A12 | L11-E14 PolarHBondContact O-N 3.36Å; A12-E14 VanDerWaalsContact C-N 3.31Å; A12-E14 PolarHBondContact O-N 2.94Å |
| 15 | K | 93.9 | Very high | 87.5 | Confident | 90 Ų | 90 | 82 Ų | 82 | 39% | 0.391 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -72.4 | 150.3 | 179.3 | -70.3 | -178.7 | 170.7 | -179.3 | 0 | 112.1 | L20 D24 | K15-L20 HydrophobicContact CB-CD2 3.78Å; K15-L20 HydrophobicContact CB-CG 4.5Å; K15-L20 HydrophobicContact CD-CD2 4.21Å; K15-D24 VanDerWaalsContact CD-OD2 3.29Å; K15-D24 WeakPolarHBondContact CD-OD2 3.47Å; K15-D24 WeakPolarHBondContact CE-OD1 3.18Å; K15-D24 IonicContact NZ-OD1 3.94Å; K15-D24 PolarHBondContact NZ-OD1 3.25Å; K15-D24 IonicContact NZ-OD2 2.83Å; K15-D24 PolarHBondContact NZ-OD2 3.32Å |
| 16 | N | 93.5 | Very high | 89.7 | Confident | 100 Ų | 100 | 78.7 Ų | 78.7 | 54% | 0.535 | 41% | 0.409 | S | S | . | . | trans | -66.7 | 143.5 | 170.5 | -66.4 | -68.6 | 0 | 0 | 0 | 110.3 | F18 E19 L20 | N16-F18 PolarHBondContact O-N 3.08Å; N16-F18 VanDerWaalsContact O-N 3.07Å; N16-E19 HydrophobicContact CB-CB 4.29Å; N16-E19 HydrophobicContact CB-CG 4.07Å; N16-E19 WeakPolarHBondContact CB-OE2 3.21Å; N16-E19 PolarHBondContact ND2-OE2 3.3Å; N16-E19 PolarHBondContact O-N 2.96Å; N16-L20 PolarHBondContact O-N 3.08Å | ||
| 17 | A | 90.8 | Very high | 92 | Very high | 70 Ų | 70 | 71.6 Ų | 71.6 | 58% | 0.579 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 18 | F | 92.5 | Very high | 93.5 | Very high | 152 Ų | 152 | 68.6 Ų | 68.6 | 67% | 0.667 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -7.5 | 178.4 | -57.1 | -69.5 | 0 | 0 | 0 | 113.9 | N16 Y67 | N16-F18 PolarHBondContact O-N 3.08Å; N16-F18 VanDerWaalsContact O-N 3.07Å; F18-Y67 HydrophobicContact CB-CE1 4.49Å; F18-Y67 HydrophobicContact CD1-CE2 4.37Å; F18-Y67 VanDerWaalsContact O-CE1 3.27Å; F18-Y67 WeakPolarHBondContact O-CE1 3.31Å |
| 19 | E | 93.8 | Very high | 94 | Very high | 123 Ų | 123 | 67.4 Ų | 67.4 | 58% | 0.575 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 0.1 | 179.2 | -64.7 | 174.1 | 164.9 | 0 | 0 | 111.8 | N16 | N16-E19 HydrophobicContact CB-CB 4.29Å; N16-E19 HydrophobicContact CB-CG 4.07Å; N16-E19 WeakPolarHBondContact CB-OE2 3.21Å; N16-E19 PolarHBondContact ND2-OE2 3.3Å; N16-E19 PolarHBondContact O-N 2.96Å |
| 20 | L | 96.2 | Very high | 94.4 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 5% | 0.052 | 36% | 0.362 | C | S | . | . | trans | -69.8 | 140.1 | 179.5 | -71 | 171.4 | 0 | 0 | 0 | 111.5 | K15 N16 D24 F60 V64 N68 | K15-L20 HydrophobicContact CB-CD2 3.78Å; K15-L20 HydrophobicContact CB-CG 4.5Å; K15-L20 HydrophobicContact CD-CD2 4.21Å; N16-L20 PolarHBondContact O-N 3.08Å; L20-D24 HydrophobicContact CD2-CB 3.61Å; L20-F60 HydrophobicContact CD1-CE1 4.06Å; L20-F60 HydrophobicContact CD1-CE2 4.32Å; L20-F60 HydrophobicContact CD1-CZ 3.38Å; L20-V64 HydrophobicContact CB-CG1 4.36Å; L20-V64 HydrophobicContact CB-CG2 4.36Å; L20-V64 VanDerWaalsContact O-CG1 3.24Å; L20-V64 WeakPolarHBondContact O-CG1 3.31Å; L20-N68 PolarHBondContact O-ND2 3.43Å | ||
| 21 | T | 95.8 | Very high | 94.7 | Very high | 50 Ų | 50 | 71.2 Ų | 71.2 | 31% | 0.307 | 35% | 0.349 | S | S | . | . | trans | -106.4 | 171.3 | 171.3 | 73.9 | 0 | 0 | 0 | 0 | 110.8 | E23 D24 V25 V64 | T21-E23 PolarHBondContact O-N 3.46Å; T21-E23 PolarHBondContact OG1-N 3.4Å; T21-D24 PolarHBondContact N-OD2 2.73Å; T21-D24 WeakPolarHBondContact O-CB 3.41Å; T21-D24 PolarHBondContact O-N 2.92Å; T21-D24 PolarHBondContact OG1-N 3.13Å; T21-D24 PolarHBondContact OG1-OD2 2.96Å; T21-V25 PolarHBondContact O-N 2.99Å; T21-V64 VanDerWaalsContact C-CG1 3.49Å | ||
| 22 | V | 95.6 | Very high | 94.9 | Very high | 34 Ų | 34 | 70.1 Ų | 70.1 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.2 | -32.9 | 174.3 | 175 | 0 | 0 | 0 | 0 | 111.4 | V25 Y26 E61 N65 | V22-V25 PolarHBondContact O-N 2.89Å; V22-Y26 HydrophobicContact CG1-CD2 4.33Å; V22-Y26 HydrophobicContact CG1-CE1 4.18Å; V22-Y26 HydrophobicContact CG1-CE2 3.59Å; V22-Y26 VanDerWaalsContact CG1-CZ 3.47Å; V22-Y26 WeakPolarHBondContact CG1-OH 3.34Å; V22-Y26 WeakPolarHBondContact O-CD2 3.02Å; V22-Y26 PolarHBondContact O-N 2.94Å; V22-E61 HydrophobicContact CG1-CG 4.15Å; V22-N65 HydrophobicContact CG2-CB 3.77Å |
| 23 | E | 95.7 | Very high | 94.9 | Very high | 135 Ų | 135 | 71.4 Ų | 71.4 | 63% | 0.631 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.7 | -42.7 | 174.8 | -172.9 | 175 | -162.3 | 0 | 0 | 111.5 | T21 V25 Y26 D27 | T21-E23 PolarHBondContact O-N 3.46Å; T21-E23 PolarHBondContact OG1-N 3.4Å; E23-V25 VanDerWaalsContact C-N 3.26Å; E23-V25 PolarHBondContact O-N 2.87Å; E23-Y26 WeakPolarHBondContact O-CA 3.42Å; E23-Y26 WeakPolarHBondContact O-CB 3.5Å; E23-Y26 PolarHBondContact O-N 3.23Å; E23-D27 PolarHBondContact O-N 3.13Å |
| 24 | D | 96.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 71.8 Ų | 71.8 | 3% | 0.032 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 176.7 | -64.6 | -43 | 0 | 0 | 0 | 112.2 | A12 K15 L20 T21 Y26 D27 I28 | A12-D24 HydrophobicContact CB-CB 4Å; K15-D24 VanDerWaalsContact CD-OD2 3.29Å; K15-D24 WeakPolarHBondContact CD-OD2 3.47Å; K15-D24 WeakPolarHBondContact CE-OD1 3.18Å; K15-D24 IonicContact NZ-OD1 3.94Å; K15-D24 PolarHBondContact NZ-OD1 3.25Å; K15-D24 IonicContact NZ-OD2 2.83Å; K15-D24 PolarHBondContact NZ-OD2 3.32Å; L20-D24 HydrophobicContact CD2-CB 3.61Å; T21-D24 PolarHBondContact N-OD2 2.73Å; T21-D24 WeakPolarHBondContact O-CB 3.41Å; T21-D24 PolarHBondContact O-N 2.92Å; T21-D24 PolarHBondContact OG1-N 3.13Å; T21-D24 PolarHBondContact OG1-OD2 2.96Å; D24-Y26 VanDerWaalsContact C-N 3.31Å; D24-D27 PolarHBondContact O-N 3.33Å; D24-I28 WeakPolarHBondContact O-CB 3.4Å; D24-I28 WeakPolarHBondContact O-CD1 3.43Å; D24-I28 WeakPolarHBondContact O-CG1 3.32Å; D24-I28 PolarHBondContact O-N 2.9Å |
| 25 | V | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.6 | -35.8 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 111 | T21 V22 E23 S29 F60 E61 V64 | T21-V25 PolarHBondContact O-N 2.99Å; V22-V25 PolarHBondContact O-N 2.89Å; E23-V25 VanDerWaalsContact C-N 3.26Å; E23-V25 PolarHBondContact O-N 2.87Å; V25-S29 VanDerWaalsContact O-CB 3.29Å; V25-S29 WeakPolarHBondContact O-CB 3.36Å; V25-S29 PolarHBondContact O-N 3.09Å; V25-S29 PolarHBondContact O-OG 3.08Å; V25-F60 HydrophobicContact CB-CD1 4.43Å; V25-F60 HydrophobicContact CG1-CD1 3.92Å; V25-F60 HydrophobicContact CG2-CD1 3.73Å; V25-F60 HydrophobicContact CG2-CE1 3.82Å; V25-F60 HydrophobicContact CG2-CG 4.42Å; V25-E61 HydrophobicContact CG1-CB 4.05Å; V25-V64 HydrophobicContact CG2-CB 4.18Å; V25-V64 HydrophobicContact CG2-CG1 4.31Å; V25-V64 HydrophobicContact CG2-CG2 3.91Å |
| 26 | Y | 96.8 | Very high | 94.4 | Very high | 122 Ų | 122 | 63.8 Ų | 63.8 | 48% | 0.478 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 174.4 | -61.3 | -32.1 | 0 | 0 | 0 | 112.3 | V22 E23 D24 S29 Y30 E61 | V22-Y26 HydrophobicContact CG1-CD2 4.33Å; V22-Y26 HydrophobicContact CG1-CE1 4.18Å; V22-Y26 HydrophobicContact CG1-CE2 3.59Å; V22-Y26 VanDerWaalsContact CG1-CZ 3.47Å; V22-Y26 WeakPolarHBondContact CG1-OH 3.34Å; V22-Y26 WeakPolarHBondContact O-CD2 3.02Å; V22-Y26 PolarHBondContact O-N 2.94Å; E23-Y26 WeakPolarHBondContact O-CA 3.42Å; E23-Y26 WeakPolarHBondContact O-CB 3.5Å; E23-Y26 PolarHBondContact O-N 3.23Å; D24-Y26 VanDerWaalsContact C-N 3.31Å; Y26-S29 WeakPolarHBondContact O-CB 3.44Å; Y26-S29 PolarHBondContact O-N 2.88Å; Y26-Y30 WeakPolarHBondContact O-CB 3.21Å; Y26-Y30 PolarHBondContact O-N 2.91Å; Y26-E61 HydrophobicContact CE1-CG 4.48Å; Y26-E61 WeakPolarHBondContact CE1-OE1 3.41Å; Y26-E61 PolarHBondContact OH-OE1 3.26Å |
| 27 | D | 96.7 | Very high | 94 | Very high | 44 Ų | 44 | 64.3 Ų | 64.3 | 24% | 0.235 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 174.8 | -77.3 | -16.9 | 0 | 0 | 0 | 111.7 | P9 A12 E23 D24 S29 Y30 V31 | P9-D27 HydrophobicContact CB-CB 3.73Å; A12-D27 HydrophobicContact CB-CB 4Å; E23-D27 PolarHBondContact O-N 3.13Å; D24-D27 PolarHBondContact O-N 3.33Å; D27-S29 VanDerWaalsContact C-N 3.31Å; D27-S29 PolarHBondContact O-N 3.26Å; D27-Y30 PolarHBondContact O-N 3.12Å; D27-V31 WeakPolarHBondContact O-CG2 3.27Å; D27-V31 PolarHBondContact O-N 3.14Å |
| 28 | I | 96.5 | Very high | 93.8 | Very high | 13 Ų | 13 | 66.6 Ų | 66.6 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.8 | -47.3 | 173.3 | -71.8 | 164.8 | 0 | 0 | 0 | 110.3 | A12 F13 D24 Y30 V31 I32 L57 F60 | A12-I28 HydrophobicContact CB-CD1 4.13Å; A12-I28 HydrophobicContact CB-CG1 3.73Å; F13-I28 HydrophobicContact CD1-CG1 4.37Å; F13-I28 HydrophobicContact CD2-CG1 4.39Å; F13-I28 HydrophobicContact CE1-CB 4.45Å; F13-I28 HydrophobicContact CE1-CG1 4.1Å; F13-I28 HydrophobicContact CE1-CG2 3.85Å; F13-I28 HydrophobicContact CE2-CB 4.47Å; F13-I28 HydrophobicContact CE2-CG1 4.11Å; F13-I28 HydrophobicContact CZ-CB 4.08Å; F13-I28 HydrophobicContact CZ-CG1 3.97Å; F13-I28 HydrophobicContact CZ-CG2 3.73Å; D24-I28 WeakPolarHBondContact O-CB 3.4Å; D24-I28 WeakPolarHBondContact O-CD1 3.43Å; D24-I28 WeakPolarHBondContact O-CG1 3.32Å; D24-I28 PolarHBondContact O-N 2.9Å; I28-Y30 VanDerWaalsContact C-N 3.33Å; I28-Y30 PolarHBondContact O-N 3.35Å; I28-V31 PolarHBondContact O-N 3.26Å; I28-I32 HydrophobicContact CG2-CD1 3.61Å; I28-I32 HydrophobicContact CG2-CG1 4.43Å; I28-I32 WeakPolarHBondContact O-CB 3.42Å; I28-I32 VanDerWaalsContact O-CG1 3.29Å; I28-I32 WeakPolarHBondContact O-CG1 3.3Å; I28-I32 PolarHBondContact O-N 3.47Å; I28-L57 HydrophobicContact CG2-CD2 3.98Å; I28-F60 HydrophobicContact CD1-CE1 4.27Å |
| 29 | S | 96.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 63.9 Ų | 63.9 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | -179.8 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | V25 Y26 D27 G33 | V25-S29 VanDerWaalsContact O-CB 3.29Å; V25-S29 WeakPolarHBondContact O-CB 3.36Å; V25-S29 PolarHBondContact O-N 3.09Å; V25-S29 PolarHBondContact O-OG 3.08Å; Y26-S29 WeakPolarHBondContact O-CB 3.44Å; Y26-S29 PolarHBondContact O-N 2.88Å; D27-S29 VanDerWaalsContact C-N 3.31Å; D27-S29 PolarHBondContact O-N 3.26Å; S29-G33 PolarHBondContact O-N 3.22Å |
| 30 | Y | 95.7 | Very high | 92.4 | Very high | 149 Ų | 149 | 59.9 Ų | 59.9 | 58% | 0.584 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.3 | -47.9 | 176.9 | 176 | -99.4 | 0 | 0 | 0 | 111.9 | P9 Y26 D27 I28 G33 R34 | P9-Y30 HydrophobicContact CG-CD1 4.29Å; Y26-Y30 WeakPolarHBondContact O-CB 3.21Å; Y26-Y30 PolarHBondContact O-N 2.91Å; D27-Y30 PolarHBondContact O-N 3.12Å; I28-Y30 VanDerWaalsContact C-N 3.33Å; I28-Y30 PolarHBondContact O-N 3.35Å; Y30-G33 PolarHBondContact O-N 3.05Å; Y30-R34 WeakPolarHBondContact O-CB 3.47Å; Y30-R34 PolarHBondContact O-N 2.87Å |
| 31 | V | 95.4 | Very high | 91.2 | Very high | 17 Ų | 17 | 64.1 Ų | 64.1 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 178.8 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | P9 F13 D27 I28 R34 D35 | P9-V31 HydrophobicContact CB-CG2 3.99Å; P9-V31 HydrophobicContact CG-CG2 4.12Å; F13-V31 HydrophobicContact CE2-CB 4.01Å; F13-V31 HydrophobicContact CE2-CG1 4Å; F13-V31 HydrophobicContact CE2-CG2 4.38Å; D27-V31 WeakPolarHBondContact O-CG2 3.27Å; D27-V31 PolarHBondContact O-N 3.14Å; I28-V31 PolarHBondContact O-N 3.26Å; V31-R34 PolarHBondContact O-N 2.96Å; V31-D35 PolarHBondContact O-N 3.41Å; V31-D35 VanDerWaalsContact O-N 3.08Å |
| 32 | I | 94.5 | Very high | 89.9 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 177.9 | -69.5 | 172.8 | 0 | 0 | 0 | 110.8 | F13 I28 R34 D35 L36 I53 L57 | F13-I32 HydrophobicContact CZ-CD1 4.32Å; F13-I32 HydrophobicContact CZ-CG1 4.15Å; I28-I32 HydrophobicContact CG2-CD1 3.61Å; I28-I32 HydrophobicContact CG2-CG1 4.43Å; I28-I32 WeakPolarHBondContact O-CB 3.42Å; I28-I32 VanDerWaalsContact O-CG1 3.29Å; I28-I32 WeakPolarHBondContact O-CG1 3.3Å; I28-I32 PolarHBondContact O-N 3.47Å; I32-R34 VanDerWaalsContact C-N 3.33Å; I32-R34 PolarHBondContact O-N 3.49Å; I32-D35 PolarHBondContact O-N 2.91Å; I32-L36 HydrophobicContact CG2-CD1 3.8Å; I32-L36 HydrophobicContact CG2-CG 4.16Å; I32-L36 WeakPolarHBondContact O-CB 3.43Å; I32-L36 WeakPolarHBondContact O-CG 3.42Å; I32-L36 PolarHBondContact O-N 3.4Å; I32-I53 HydrophobicContact CG2-CG2 3.73Å; I32-L57 HydrophobicContact CD1-CD2 4.28Å |
| 33 | G | 92.4 | Very high | 88.3 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 33% | 0.33 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S29 Y30 L37 | S29-G33 PolarHBondContact O-N 3.22Å; Y30-G33 PolarHBondContact O-N 3.05Å; G33-L37 WeakPolarHBondContact O-CB 3.43Å; G33-L37 PolarHBondContact O-N 3.14Å |
| 34 | R | 91.6 | Very high | 86.8 | Confident | 120 Ų | 120 | 70.1 Ų | 70.1 | 45% | 0.453 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.9 | -173.4 | -171.1 | 67.4 | -178.3 | -4.2 | 112 | Y30 V31 I32 L37 K38 | Y30-R34 WeakPolarHBondContact O-CB 3.47Å; Y30-R34 PolarHBondContact O-N 2.87Å; V31-R34 PolarHBondContact O-N 2.96Å; I32-R34 VanDerWaalsContact C-N 3.33Å; I32-R34 PolarHBondContact O-N 3.49Å; R34-L37 PolarHBondContact O-N 2.99Å; R34-K38 WeakPolarHBondContact O-CG 3.44Å; R34-K38 PolarHBondContact O-N 3.35Å |
| 35 | D | 90.7 | Very high | 85.5 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 33% | 0.332 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -72.9 | -36.1 | -179 | -69.5 | -17.1 | 0 | 0 | 0 | 111.8 | V31 I32 L37 K38 I39 | V31-D35 PolarHBondContact O-N 3.41Å; V31-D35 VanDerWaalsContact O-N 3.08Å; I32-D35 PolarHBondContact O-N 2.91Å; D35-L37 VanDerWaalsContact C-N 3.32Å; D35-L37 PolarHBondContact O-N 3.03Å; D35-K38 PolarHBondContact O-N 3.43Å; D35-K38 IonicContact OD1-NZ 2.6Å; D35-K38 PolarHBondContact OD1-NZ 3.33Å; D35-I39 WeakPolarHBondContact O-CD1 3.44Å; D35-I39 VanDerWaalsContact O-CG1 3.32Å; D35-I39 WeakPolarHBondContact O-CG1 3.47Å; D35-I39 PolarHBondContact O-N 3.05Å |
| 36 | L | 89.4 | Confident | 84.6 | Confident | 18 Ų | 18 | 80.1 Ų | 80.1 | 9% | 0.094 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 170.1 | -74.1 | 174.7 | 0 | 0 | 0 | 112.1 | I32 K38 I39 S40 V46 Q50 I53 | I32-L36 HydrophobicContact CG2-CD1 3.8Å; I32-L36 HydrophobicContact CG2-CG 4.16Å; I32-L36 WeakPolarHBondContact O-CB 3.43Å; I32-L36 WeakPolarHBondContact O-CG 3.42Å; I32-L36 PolarHBondContact O-N 3.4Å; L36-K38 PolarHBondContact O-N 3.49Å; L36-I39 PolarHBondContact O-N 2.87Å; L36-I39 VanDerWaalsContact O-N 3.15Å; L36-S40 PolarHBondContact O-N 2.97Å; L36-S40 PolarHBondContact O-OG 3.42Å; L36-V46 HydrophobicContact CD2-CG1 4.4Å; L36-Q50 HydrophobicContact CD1-CB 4.37Å; L36-Q50 HydrophobicContact CD1-CG 4.14Å; L36-I53 HydrophobicContact CD1-CB 4.4Å; L36-I53 HydrophobicContact CD1-CD1 3.87Å; L36-I53 HydrophobicContact CD1-CG2 4.16Å; L36-I53 HydrophobicContact CD2-CD1 3.85Å; L36-I53 HydrophobicContact CG-CD1 4.4Å |
| 37 | L | 85 | Confident | 83.9 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 59% | 0.586 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.7 | -35.6 | 178.3 | -171.4 | 64.5 | 0 | 0 | 0 | 112.9 | G33 R34 D35 I39 S40 S41 | G33-L37 WeakPolarHBondContact O-CB 3.43Å; G33-L37 PolarHBondContact O-N 3.14Å; R34-L37 PolarHBondContact O-N 2.99Å; D35-L37 VanDerWaalsContact C-N 3.32Å; D35-L37 PolarHBondContact O-N 3.03Å; L37-I39 VanDerWaalsContact C-N 3.29Å; L37-I39 PolarHBondContact O-N 3.19Å; L37-S40 WeakPolarHBondContact CA-OG 3.38Å; L37-S40 PolarHBondContact O-OG 3.32Å; L37-S40 VanDerWaalsContact O-OG 3.1Å; L37-S41 PolarHBondContact O-N 3.46Å; L37-S41 PolarHBondContact O-OG 3.15Å |
| 38 | K | 85.8 | Confident | 83.5 | Confident | 117 Ų | 117 | 80.1 Ų | 80.1 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 172.5 | -67.3 | 170.7 | -169.9 | 159.4 | 0 | 111.2 | R34 D35 L36 T42 | R34-K38 WeakPolarHBondContact O-CG 3.44Å; R34-K38 PolarHBondContact O-N 3.35Å; D35-K38 PolarHBondContact O-N 3.43Å; D35-K38 IonicContact OD1-NZ 2.6Å; D35-K38 PolarHBondContact OD1-NZ 3.33Å; L36-K38 PolarHBondContact O-N 3.49Å; K38-T42 PolarHBondContact O-OG1 2.88Å |
| 39 | I | 82.4 | Confident | 83.2 | Confident | 95 Ų | 95 | 84 Ų | 84 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -75.8 | -41.7 | -179 | -59 | 162.3 | 0 | 0 | 0 | 110.7 | D35 L36 L37 S41 T42 V46 | D35-I39 WeakPolarHBondContact O-CD1 3.44Å; D35-I39 VanDerWaalsContact O-CG1 3.32Å; D35-I39 WeakPolarHBondContact O-CG1 3.47Å; D35-I39 PolarHBondContact O-N 3.05Å; L36-I39 PolarHBondContact O-N 2.87Å; L36-I39 VanDerWaalsContact O-N 3.15Å; L37-I39 VanDerWaalsContact C-N 3.29Å; L37-I39 PolarHBondContact O-N 3.19Å; I39-S41 VanDerWaalsContact C-N 3.25Å; I39-S41 PolarHBondContact O-N 2.93Å; I39-T42 WeakPolarHBondContact O-CA 3.33Å; I39-T42 VanDerWaalsContact O-CB 3.29Å; I39-T42 WeakPolarHBondContact O-CB 3.25Å; I39-T42 PolarHBondContact O-N 3.34Å; I39-V46 HydrophobicContact CG2-CG2 4.19Å |
| 40 | S | 75.3 | Confident | 82.8 | Confident | 39 Ų | 39 | 85.7 Ų | 85.7 | 27% | 0.273 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.5 | -27.7 | 178.8 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | L36 L37 T42 G43 | L36-S40 PolarHBondContact O-N 2.97Å; L36-S40 PolarHBondContact O-OG 3.42Å; L37-S40 WeakPolarHBondContact CA-OG 3.38Å; L37-S40 PolarHBondContact O-OG 3.32Å; L37-S40 VanDerWaalsContact O-OG 3.1Å; S40-T42 PolarHBondContact O-N 2.89Å; S40-T42 VanDerWaalsContact O-N 3.07Å; S40-G43 PolarHBondContact O-N 3.01Å; S40-G43 VanDerWaalsContact O-O 3.11Å |
| 41 | S | 69.6 | Low | 82.6 | Confident | 99 Ų | 99 | 85.2 Ų | 85.2 | 69% | 0.692 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -12.2 | 170.7 | -58.1 | 0 | 0 | 0 | 0 | 113 | L37 I39 | L37-S41 PolarHBondContact O-N 3.46Å; L37-S41 PolarHBondContact O-OG 3.15Å; I39-S41 VanDerWaalsContact C-N 3.25Å; I39-S41 PolarHBondContact O-N 2.93Å |
| 42 | T | 68.4 | Low | 82.6 | Confident | 127 Ų | 127 | 92.6 Ų | 92.6 | 78% | 0.779 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -5.5 | -178.4 | -43.5 | 0 | 0 | 0 | 0 | 112.6 | K38 I39 S40 | K38-T42 PolarHBondContact O-OG1 2.88Å; I39-T42 WeakPolarHBondContact O-CA 3.33Å; I39-T42 VanDerWaalsContact O-CB 3.29Å; I39-T42 WeakPolarHBondContact O-CB 3.25Å; I39-T42 PolarHBondContact O-N 3.34Å; S40-T42 PolarHBondContact O-N 2.89Å; S40-T42 VanDerWaalsContact O-N 3.07Å |
| 43 | G | 61.9 | Low | 82.6 | Confident | 36 Ų | 36 | 92.6 Ų | 92.6 | 37% | 0.371 | 48% | 0.481 | S | S | . | . | trans | 173.5 | 148.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S40 E45 | S40-G43 PolarHBondContact O-N 3.01Å; S40-G43 VanDerWaalsContact O-O 3.11Å; G43-E45 PolarHBondContact O-N 2.9Å | ||
| 44 | E | 64.5 | Low | 82.7 | Confident | 183 Ų | 183 | 94 Ų | 94 | 86% | 0.855 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -76.5 | -16.7 | -170.6 | -163.3 | 171.7 | 175.9 | 0 | 0 | 114.6 | V46 | E44-V46 PolarHBondContact O-N 3.17Å; E44-V46 VanDerWaalsContact O-N 3.13Å |
| 45 | E | 69.8 | Low | 82.9 | Confident | 187 Ų | 187 | 95.1 Ų | 95.1 | 87% | 0.874 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -74.8 | 1.9 | -171.3 | -57.7 | -84.3 | 158.5 | 0 | 0 | 115 | G43 | G43-E45 PolarHBondContact O-N 2.9Š|
| 46 | V | 78.2 | Confident | 83.3 | Confident | 29 Ų | 29 | 96.7 Ų | 96.7 | 18% | 0.176 | 50% | 0.499 | C | S | . | . | G | 310 helix | trans | -95.1 | -11.7 | -170.7 | -169.5 | 0 | 0 | 0 | 0 | 113.1 | L36 I39 E44 D48 L49 Q50 | L36-V46 HydrophobicContact CD2-CG1 4.4Å; I39-V46 HydrophobicContact CG2-CG2 4.19Å; E44-V46 PolarHBondContact O-N 3.17Å; E44-V46 VanDerWaalsContact O-N 3.13Å; V46-D48 PolarHBondContact O-N 2.88Å; V46-L49 WeakPolarHBondContact O-CB 3.33Å; V46-L49 PolarHBondContact O-N 3.18Å; V46-L49 VanDerWaalsContact O-N 3.13Å; V46-Q50 PolarHBondContact O-N 3.35Å |
| 47 | S | 83.1 | Confident | 83.7 | Confident | 55 Ų | 55 | 97 Ų | 97 | 39% | 0.385 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.3 | -45.8 | -173.8 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | L49 Q50 F51 | S47-L49 VanDerWaalsContact C-N 3.32Å; S47-L49 PolarHBondContact O-N 3Å; S47-Q50 WeakPolarHBondContact O-CB 3.49Å; S47-Q50 PolarHBondContact O-N 3.01Å; S47-Q50 VanDerWaalsContact O-N 3.16Å; S47-F51 WeakPolarHBondContact O-CD2 3.46Å; S47-F51 PolarHBondContact O-N 2.99Å |
| 48 | D | 87.3 | Confident | 84.3 | Confident | 111 Ų | 111 | 95.6 Ų | 95.6 | 59% | 0.594 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63 | -37.7 | 178.5 | -80 | -0.1 | 0 | 0 | 0 | 112.7 | V46 R52 | V46-D48 PolarHBondContact O-N 2.88Å; D48-R52 WeakPolarHBondContact O-CG 3.48Å; D48-R52 PolarHBondContact O-N 3.37Å; D48-R52 VanDerWaalsContact O-N 3.14Å |
| 49 | L | 89.4 | Confident | 84.8 | Confident | 94 Ų | 94 | 94.8 Ų | 94.8 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 175.5 | 178.7 | 61 | 0 | 0 | 0 | 110.7 | V46 S47 F51 R52 I53 | V46-L49 WeakPolarHBondContact O-CB 3.33Å; V46-L49 PolarHBondContact O-N 3.18Å; V46-L49 VanDerWaalsContact O-N 3.13Å; S47-L49 VanDerWaalsContact C-N 3.32Å; S47-L49 PolarHBondContact O-N 3Å; L49-F51 VanDerWaalsContact C-N 3.34Å; L49-F51 PolarHBondContact O-N 3.03Å; L49-R52 PolarHBondContact O-N 3.31Å; L49-I53 HydrophobicContact CD1-CD1 4.15Å; L49-I53 HydrophobicContact CD1-CG1 4.31Å; L49-I53 HydrophobicContact CG-CD1 3.89Å; L49-I53 HydrophobicContact CG-CG1 4.47Å; L49-I53 WeakPolarHBondContact O-CG1 3.45Å; L49-I53 PolarHBondContact O-N 3.42Å |
| 50 | Q | 89.3 | Confident | 85.5 | Confident | 71 Ų | 71 | 93.3 Ų | 93.3 | 33% | 0.332 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.4 | -46.9 | 175.4 | 179.6 | 179.3 | 11.7 | 0 | 0 | 111 | L36 V46 S47 R52 I53 V54 | L36-Q50 HydrophobicContact CD1-CB 4.37Å; L36-Q50 HydrophobicContact CD1-CG 4.14Å; V46-Q50 PolarHBondContact O-N 3.35Å; S47-Q50 WeakPolarHBondContact O-CB 3.49Å; S47-Q50 PolarHBondContact O-N 3.01Å; S47-Q50 VanDerWaalsContact O-N 3.16Å; Q50-R52 VanDerWaalsContact C-N 3.34Å; Q50-R52 PolarHBondContact O-N 3.19Å; Q50-I53 PolarHBondContact O-N 3.1Å; Q50-V54 WeakPolarHBondContact O-CG2 3.35Å; Q50-V54 PolarHBondContact O-N 3.16Å |
| 51 | F | 90.9 | Very high | 86.6 | Confident | 139 Ų | 139 | 94.3 Ų | 94.3 | 61% | 0.61 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.5 | -39.2 | 177 | -69 | -63.1 | 0 | 0 | 0 | 112.7 | S47 L49 I53 V54 R55 | S47-F51 WeakPolarHBondContact O-CD2 3.46Å; S47-F51 PolarHBondContact O-N 2.99Å; L49-F51 VanDerWaalsContact C-N 3.34Å; L49-F51 PolarHBondContact O-N 3.03Å; F51-I53 VanDerWaalsContact C-N 3.34Å; F51-V54 PolarHBondContact O-N 3.28Å; F51-R55 WeakPolarHBondContact O-CB 3.45Å; F51-R55 PolarHBondContact O-N 3.36Å |
| 52 | R | 94.3 | Very high | 87.9 | Confident | 173 Ų | 173 | 94.1 Ų | 94.1 | 65% | 0.653 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.3 | -39.3 | 174.5 | -68.5 | 177.4 | -153.1 | -166.4 | 7 | 112 | D48 L49 Q50 R55 V56 | D48-R52 WeakPolarHBondContact O-CG 3.48Å; D48-R52 PolarHBondContact O-N 3.37Å; D48-R52 VanDerWaalsContact O-N 3.14Å; L49-R52 PolarHBondContact O-N 3.31Å; Q50-R52 VanDerWaalsContact C-N 3.34Å; Q50-R52 PolarHBondContact O-N 3.19Å; R52-R55 PolarHBondContact O-N 3.28Å; R52-V56 WeakPolarHBondContact O-CG2 3.41Å; R52-V56 PolarHBondContact O-N 3.17Å |
| 53 | I | 94.7 | Very high | 89.3 | Confident | 45 Ų | 45 | 93.5 Ų | 93.5 | 23% | 0.231 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 176.9 | -70.6 | 168.4 | 0 | 0 | 0 | 110.7 | I32 L36 L49 Q50 F51 R55 V56 L57 | I32-I53 HydrophobicContact CG2-CG2 3.73Å; L36-I53 HydrophobicContact CD1-CB 4.4Å; L36-I53 HydrophobicContact CD1-CD1 3.87Å; L36-I53 HydrophobicContact CD1-CG2 4.16Å; L36-I53 HydrophobicContact CD2-CD1 3.85Å; L36-I53 HydrophobicContact CG-CD1 4.4Å; L49-I53 HydrophobicContact CD1-CD1 4.15Å; L49-I53 HydrophobicContact CD1-CG1 4.31Å; L49-I53 HydrophobicContact CG-CD1 3.89Å; L49-I53 HydrophobicContact CG-CG1 4.47Å; L49-I53 WeakPolarHBondContact O-CG1 3.45Å; L49-I53 PolarHBondContact O-N 3.42Å; Q50-I53 PolarHBondContact O-N 3.1Å; F51-I53 VanDerWaalsContact C-N 3.34Å; I53-R55 PolarHBondContact O-N 2.76Å; I53-V56 PolarHBondContact O-N 2.77Å; I53-V56 VanDerWaalsContact O-N 3.09Å; I53-L57 HydrophobicContact CG2-CD1 3.91Å; I53-L57 HydrophobicContact CG2-CG 4.44Å; I53-L57 WeakPolarHBondContact O-CG 3.4Å; I53-L57 PolarHBondContact O-N 2.7Å |
| 54 | V | 94.9 | Very high | 91 | Very high | 63 Ų | 63 | 92.2 Ų | 92.2 | 38% | 0.382 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -54.8 | -45.8 | 174.4 | 171.8 | 0 | 0 | 0 | 0 | 109.8 | Q50 F51 V56 L57 E58 | Q50-V54 WeakPolarHBondContact O-CG2 3.35Å; Q50-V54 PolarHBondContact O-N 3.16Å; F51-V54 PolarHBondContact O-N 3.28Å; V54-V56 VanDerWaalsContact C-N 3.33Å; V54-V56 PolarHBondContact O-N 3.33Å; V54-L57 PolarHBondContact O-N 3.05Å; V54-L57 VanDerWaalsContact O-N 3.12Å; V54-E58 HydrophobicContact CG1-CG 4.41Å; V54-E58 WeakPolarHBondContact O-CG 3.38Å; V54-E58 PolarHBondContact O-N 3.19Å |
| 55 | R | 97.3 | Very high | 92.5 | Very high | 143 Ų | 143 | 87.1 Ų | 87.1 | 54% | 0.54 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.1 | -40.5 | 177.9 | -177.6 | 55.5 | -178.7 | 163.1 | 2.4 | 113.3 | F51 R52 I53 E58 M59 | F51-R55 WeakPolarHBondContact O-CB 3.45Å; F51-R55 PolarHBondContact O-N 3.36Å; R52-R55 PolarHBondContact O-N 3.28Å; I53-R55 PolarHBondContact O-N 2.76Å; R55-E58 VanDerWaalsContact CD-OE2 3.26Å; R55-E58 WeakPolarHBondContact CD-OE2 3.28Å; R55-E58 IonicContact CZ-OE2 3.89Å; R55-E58 IonicContact NH1-OE2 2.92Å; R55-E58 PolarHBondContact NH1-OE2 2.76Å; R55-M59 HydrophobicContact CG-SD 4.5Å; R55-M59 VanDerWaalsContact O-CG 3.31Å; R55-M59 WeakPolarHBondContact O-CG 3.44Å; R55-M59 PolarHBondContact O-N 3.26Å; R55-M59 VanDerWaalsContact O-N 3.1Å |
| 56 | V | 97.8 | Very high | 93.8 | Very high | 95 Ų | 95 | 85.6 Ų | 85.6 | 58% | 0.576 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.2 | -39.8 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 111 | R52 I53 V54 M59 F60 | R52-V56 WeakPolarHBondContact O-CG2 3.41Å; R52-V56 PolarHBondContact O-N 3.17Å; I53-V56 PolarHBondContact O-N 2.77Å; I53-V56 VanDerWaalsContact O-N 3.09Å; V54-V56 VanDerWaalsContact C-N 3.33Å; V54-V56 PolarHBondContact O-N 3.33Å; V56-M59 PolarHBondContact O-N 2.91Å; V56-F60 WeakPolarHBondContact O-CB 3.24Å; V56-F60 PolarHBondContact O-N 3.43Å |
| 57 | L | 97.8 | Very high | 94.6 | Very high | 23 Ų | 23 | 88.9 Ų | 88.9 | 12% | 0.12 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 177.2 | -68.3 | 167 | 0 | 0 | 0 | 112 | I28 I32 I53 V54 M59 F60 E61 | I28-L57 HydrophobicContact CG2-CD2 3.98Å; I32-L57 HydrophobicContact CD1-CD2 4.28Å; I53-L57 HydrophobicContact CG2-CD1 3.91Å; I53-L57 HydrophobicContact CG2-CG 4.44Å; I53-L57 WeakPolarHBondContact O-CG 3.4Å; I53-L57 PolarHBondContact O-N 2.7Å; V54-L57 PolarHBondContact O-N 3.05Å; V54-L57 VanDerWaalsContact O-N 3.12Å; L57-M59 PolarHBondContact O-N 3.36Å; L57-F60 WeakPolarHBondContact O-CB 3.41Å; L57-F60 PolarHBondContact O-N 3.36Å; L57-F60 VanDerWaalsContact O-N 3.17Å; L57-E61 PolarHBondContact O-N 3.26Å |
| 58 | E | 97 | Very high | 95.2 | Very high | 84 Ų | 84 | 89 Ų | 89 | 39% | 0.393 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 172.6 | -69.4 | 170.9 | 169.9 | 0 | 0 | 112.3 | V54 R55 F60 T62 | V54-E58 HydrophobicContact CG1-CG 4.41Å; V54-E58 WeakPolarHBondContact O-CG 3.38Å; V54-E58 PolarHBondContact O-N 3.19Å; R55-E58 VanDerWaalsContact CD-OE2 3.26Å; R55-E58 WeakPolarHBondContact CD-OE2 3.28Å; R55-E58 IonicContact CZ-OE2 3.89Å; R55-E58 IonicContact NH1-OE2 2.92Å; R55-E58 PolarHBondContact NH1-OE2 2.76Å; E58-F60 VanDerWaalsContact C-N 3.26Å; E58-F60 PolarHBondContact O-N 3.27Å; E58-T62 PolarHBondContact O-N 3.32Å; E58-T62 VanDerWaalsContact O-N 3.1Å; E58-T62 PolarHBondContact O-OG1 3.48Å |
| 59 | M | 97.8 | Very high | 95.6 | Very high | 99 Ų | 99 | 88.9 Ų | 88.9 | 49% | 0.488 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 175.6 | -72.4 | 177.3 | 61.3 | 0 | 0 | 110.8 | R55 V56 L57 T62 L63 | R55-M59 HydrophobicContact CG-SD 4.5Å; R55-M59 VanDerWaalsContact O-CG 3.31Å; R55-M59 WeakPolarHBondContact O-CG 3.44Å; R55-M59 PolarHBondContact O-N 3.26Å; R55-M59 VanDerWaalsContact O-N 3.1Å; V56-M59 PolarHBondContact O-N 2.91Å; L57-M59 PolarHBondContact O-N 3.36Å; M59-T62 PolarHBondContact O-N 2.92Å; M59-L63 WeakPolarHBondContact O-CG 3.3Å; M59-L63 PolarHBondContact O-N 3.44Å |
| 60 | F | 97.3 | Very high | 95.9 | Very high | 64 Ų | 64 | 87 Ų | 87 | 28% | 0.281 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.4 | -45.3 | 179.1 | -172.5 | -139.8 | 0 | 0 | 0 | 112.2 | L20 V25 I28 V56 L57 E58 T62 L63 V64 | L20-F60 HydrophobicContact CD1-CE1 4.06Å; L20-F60 HydrophobicContact CD1-CE2 4.32Å; L20-F60 HydrophobicContact CD1-CZ 3.38Å; V25-F60 HydrophobicContact CB-CD1 4.43Å; V25-F60 HydrophobicContact CG1-CD1 3.92Å; V25-F60 HydrophobicContact CG2-CD1 3.73Å; V25-F60 HydrophobicContact CG2-CE1 3.82Å; V25-F60 HydrophobicContact CG2-CG 4.42Å; I28-F60 HydrophobicContact CD1-CE1 4.27Å; V56-F60 WeakPolarHBondContact O-CB 3.24Å; V56-F60 PolarHBondContact O-N 3.43Å; L57-F60 WeakPolarHBondContact O-CB 3.41Å; L57-F60 PolarHBondContact O-N 3.36Å; L57-F60 VanDerWaalsContact O-N 3.17Å; E58-F60 VanDerWaalsContact C-N 3.26Å; E58-F60 PolarHBondContact O-N 3.27Å; F60-T62 VanDerWaalsContact C-N 3.29Å; F60-T62 PolarHBondContact O-N 3.11Å; F60-L63 PolarHBondContact O-N 3.36Å; F60-L63 VanDerWaalsContact O-N 3.14Å; F60-V64 HydrophobicContact CD2-CG2 3.87Å; F60-V64 HydrophobicContact CE1-CG2 4.5Å; F60-V64 HydrophobicContact CE2-CG2 3.63Å; F60-V64 HydrophobicContact CG-CG2 4.41Å; F60-V64 HydrophobicContact CZ-CG2 4.01Å; F60-V64 WeakPolarHBondContact O-CB 3.26Å; F60-V64 WeakPolarHBondContact O-CG2 3.38Å; F60-V64 PolarHBondContact O-N 3.27Å |
| 61 | E | 96.6 | Very high | 96.2 | Very high | 61 Ų | 61 | 85.5 Ų | 85.5 | 29% | 0.285 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -53.7 | -48 | 172.6 | -179.8 | -178.2 | -178.1 | 0 | 0 | 111.1 | V22 V25 Y26 L57 L63 V64 N65 | V22-E61 HydrophobicContact CG1-CG 4.15Å; V25-E61 HydrophobicContact CG1-CB 4.05Å; Y26-E61 HydrophobicContact CE1-CG 4.48Å; Y26-E61 WeakPolarHBondContact CE1-OE1 3.41Å; Y26-E61 PolarHBondContact OH-OE1 3.26Å; L57-E61 PolarHBondContact O-N 3.26Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 2.73Å; E61-V64 PolarHBondContact O-N 3.01Å; E61-N65 WeakPolarHBondContact O-CB 3.47Å; E61-N65 PolarHBondContact O-N 2.73Å |
| 62 | T | 97.6 | Very high | 96.4 | Very high | 94 Ų | 94 | 83.1 Ų | 83.1 | 58% | 0.577 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.8 | -41.8 | 179.4 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | E58 M59 F60 K66 | E58-T62 PolarHBondContact O-N 3.32Å; E58-T62 VanDerWaalsContact O-N 3.1Å; E58-T62 PolarHBondContact O-OG1 3.48Å; M59-T62 PolarHBondContact O-N 2.92Å; F60-T62 VanDerWaalsContact C-N 3.29Å; F60-T62 PolarHBondContact O-N 3.11Å; T62-K66 VanDerWaalsContact O-CB 3.28Å; T62-K66 WeakPolarHBondContact O-CB 3.41Å; T62-K66 PolarHBondContact O-N 3.21Å |
| 63 | L | 97.6 | Very high | 96.5 | Very high | 115 Ų | 115 | 81.4 Ų | 81.4 | 60% | 0.602 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.4 | -47.3 | 178.6 | -73.7 | 171.2 | 0 | 0 | 0 | 111.9 | M59 F60 E61 K66 Y67 | M59-L63 WeakPolarHBondContact O-CG 3.3Å; M59-L63 PolarHBondContact O-N 3.44Å; F60-L63 PolarHBondContact O-N 3.36Å; F60-L63 VanDerWaalsContact O-N 3.14Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 2.73Å; L63-K66 PolarHBondContact O-N 3.02Å; L63-Y67 VanDerWaalsContact O-CB 3.3Å; L63-Y67 WeakPolarHBondContact O-CB 3.36Å; L63-Y67 PolarHBondContact O-N 3.39Å |
| 64 | V | 97.1 | Very high | 96.6 | Very high | 9 Ų | 9 | 84.1 Ų | 84.1 | 6% | 0.055 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 178.7 | 171 | 0 | 0 | 0 | 0 | 110.5 | L20 T21 V25 F60 E61 Y67 N68 | L20-V64 HydrophobicContact CB-CG1 4.36Å; L20-V64 HydrophobicContact CB-CG2 4.36Å; L20-V64 VanDerWaalsContact O-CG1 3.24Å; L20-V64 WeakPolarHBondContact O-CG1 3.31Å; T21-V64 VanDerWaalsContact C-CG1 3.49Å; V25-V64 HydrophobicContact CG2-CB 4.18Å; V25-V64 HydrophobicContact CG2-CG1 4.31Å; V25-V64 HydrophobicContact CG2-CG2 3.91Å; F60-V64 HydrophobicContact CD2-CG2 3.87Å; F60-V64 HydrophobicContact CE1-CG2 4.5Å; F60-V64 HydrophobicContact CE2-CG2 3.63Å; F60-V64 HydrophobicContact CG-CG2 4.41Å; F60-V64 HydrophobicContact CZ-CG2 4.01Å; F60-V64 WeakPolarHBondContact O-CB 3.26Å; F60-V64 WeakPolarHBondContact O-CG2 3.38Å; F60-V64 PolarHBondContact O-N 3.27Å; E61-V64 PolarHBondContact O-N 3.01Å; V64-Y67 PolarHBondContact O-N 3.42Å; V64-N68 WeakPolarHBondContact CG1-ND2 3.32Å; V64-N68 WeakPolarHBondContact O-CB 3.45Å; V64-N68 PolarHBondContact O-N 2.85Å; V64-N68 PolarHBondContact O-ND2 2.87Å |
| 65 | N | 96.8 | Very high | 96.6 | Very high | 76 Ų | 76 | 85.4 Ų | 85.4 | 41% | 0.406 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 177.8 | -172.2 | 34.9 | 0 | 0 | 0 | 111.6 | V22 E61 Y67 N68 L69 | V22-N65 HydrophobicContact CG2-CB 3.77Å; E61-N65 WeakPolarHBondContact O-CB 3.47Å; E61-N65 PolarHBondContact O-N 2.73Å; N65-Y67 VanDerWaalsContact C-N 3.34Å; N65-Y67 PolarHBondContact O-N 2.92Å; N65-N68 PolarHBondContact O-N 3.47Å; N65-L69 WeakPolarHBondContact O-CG 3.26Å; N65-L69 PolarHBondContact O-N 2.94Å |
| 66 | K | 96.8 | Very high | 96.6 | Very high | 154 Ų | 154 | 84.3 Ų | 84.3 | 67% | 0.67 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.6 | -41.1 | 178.8 | -175.2 | -179.8 | 176.6 | -176.8 | 0 | 112.1 | T62 L63 S70 | T62-K66 VanDerWaalsContact O-CB 3.28Å; T62-K66 WeakPolarHBondContact O-CB 3.41Å; T62-K66 PolarHBondContact O-N 3.21Å; L63-K66 PolarHBondContact O-N 3.02Å; K66-S70 WeakPolarHBondContact O-CB 3.46Å; K66-S70 PolarHBondContact O-N 3.36Å |
| 67 | Y | 96.3 | Very high | 96.5 | Very high | 99 Ų | 99 | 85.1 Ų | 85.1 | 39% | 0.388 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.1 | -50 | 176.8 | 174 | -99 | 0 | 0 | 0 | 111.2 | F18 L63 V64 N65 L69 S70 V71 | F18-Y67 HydrophobicContact CB-CE1 4.49Å; F18-Y67 HydrophobicContact CD1-CE2 4.37Å; F18-Y67 VanDerWaalsContact O-CE1 3.27Å; F18-Y67 WeakPolarHBondContact O-CE1 3.31Å; L63-Y67 VanDerWaalsContact O-CB 3.3Å; L63-Y67 WeakPolarHBondContact O-CB 3.36Å; L63-Y67 PolarHBondContact O-N 3.39Å; V64-Y67 PolarHBondContact O-N 3.42Å; N65-Y67 VanDerWaalsContact C-N 3.34Å; N65-Y67 PolarHBondContact O-N 2.92Å; Y67-L69 PolarHBondContact O-N 3.33Å; Y67-S70 PolarHBondContact O-N 3.28Å; Y67-V71 HydrophobicContact CD1-CG2 4.28Å; Y67-V71 HydrophobicContact CD2-CG2 4.21Å; Y67-V71 HydrophobicContact CE1-CG2 3.84Å; Y67-V71 HydrophobicContact CE2-CG2 3.78Å; Y67-V71 HydrophobicContact CG-CG2 4.46Å; Y67-V71 WeakPolarHBondContact O-CG2 3.44Å; Y67-V71 PolarHBondContact O-N 2.96Å |
| 68 | N | 95 | Very high | 96.4 | Very high | 56 Ų | 56 | 90.2 Ų | 90.2 | 30% | 0.299 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 179.2 | -82.2 | -73.9 | 0 | 0 | 0 | 112.1 | L20 V64 N65 S70 V71 E72 | L20-N68 PolarHBondContact O-ND2 3.43Å; V64-N68 WeakPolarHBondContact CG1-ND2 3.32Å; V64-N68 WeakPolarHBondContact O-CB 3.45Å; V64-N68 PolarHBondContact O-N 2.85Å; V64-N68 PolarHBondContact O-ND2 2.87Å; N65-N68 PolarHBondContact O-N 3.47Å; N68-S70 PolarHBondContact O-N 2.92Å; N68-V71 PolarHBondContact O-N 3.18Å; N68-E72 WeakPolarHBondContact O-CB 3.37Å; N68-E72 PolarHBondContact O-N 2.72Å |
| 69 | L | 95.8 | Very high | 96.4 | Very high | 109 Ų | 109 | 89.7 Ų | 89.7 | 57% | 0.571 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.3 | -45.2 | 175.8 | -71.9 | 171.5 | 0 | 0 | 0 | 112.2 | N65 Y67 E72 E73 | N65-L69 WeakPolarHBondContact O-CG 3.26Å; N65-L69 PolarHBondContact O-N 2.94Å; Y67-L69 PolarHBondContact O-N 3.33Å; L69-E72 PolarHBondContact O-N 3.26Å; L69-E73 WeakPolarHBondContact O-CB 3.47Å; L69-E73 PolarHBondContact O-N 3.45Å |
| 70 | S | 96.2 | Very high | 96.3 | Very high | 56 Ų | 56 | 90 Ų | 90 | 39% | 0.392 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 179.3 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | K66 Y67 N68 E72 L74 | K66-S70 WeakPolarHBondContact O-CB 3.46Å; K66-S70 PolarHBondContact O-N 3.36Å; Y67-S70 PolarHBondContact O-N 3.28Å; N68-S70 PolarHBondContact O-N 2.92Å; S70-E72 VanDerWaalsContact C-N 3.34Å; S70-L74 WeakPolarHBondContact O-CG 3.33Å; S70-L74 PolarHBondContact O-N 3.42Å; S70-L74 VanDerWaalsContact O-N 3.09Å |
| 71 | V | 95.4 | Very high | 96.1 | Very high | 38 Ų | 38 | 91.4 Ų | 91.4 | 23% | 0.23 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.6 | 168 | 0 | 0 | 0 | 0 | 110.6 | Y67 N68 L74 K75 | Y67-V71 HydrophobicContact CD1-CG2 4.28Å; Y67-V71 HydrophobicContact CD2-CG2 4.21Å; Y67-V71 HydrophobicContact CE1-CG2 3.84Å; Y67-V71 HydrophobicContact CE2-CG2 3.78Å; Y67-V71 HydrophobicContact CG-CG2 4.46Å; Y67-V71 WeakPolarHBondContact O-CG2 3.44Å; Y67-V71 PolarHBondContact O-N 2.96Å; N68-V71 PolarHBondContact O-N 3.18Å; V71-L74 PolarHBondContact O-N 2.92Å; V71-K75 HydrophobicContact CG1-CD 4.21Å; V71-K75 VanDerWaalsContact O-CG 3.3Å; V71-K75 WeakPolarHBondContact O-CG 3.5Å; V71-K75 PolarHBondContact O-N 2.88Å |
| 72 | E | 95.3 | Very high | 96 | Very high | 89 Ų | 89 | 94.2 Ų | 94.2 | 42% | 0.416 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 179.7 | -164.8 | 58.4 | -151.9 | 0 | 0 | 111.9 | N68 L69 S70 L74 K75 M76 | N68-E72 WeakPolarHBondContact O-CB 3.37Å; N68-E72 PolarHBondContact O-N 2.72Å; L69-E72 PolarHBondContact O-N 3.26Å; S70-E72 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 2.92Å; E72-K75 WeakPolarHBondContact O-CB 3.45Å; E72-K75 PolarHBondContact O-N 2.73Å; E72-K75 IonicContact OE2-NZ 3.19Å; E72-M76 HydrophobicContact CG-CE 4.1Å; E72-M76 WeakPolarHBondContact O-CG 3.35Å; E72-M76 PolarHBondContact O-N 3.21Å |
| 73 | E | 95.6 | Very high | 95.9 | Very high | 138 Ų | 138 | 92.4 Ų | 92.4 | 65% | 0.645 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58 | -48.6 | 173.9 | -176.3 | 176.1 | -166.2 | 0 | 0 | 111.8 | L69 K75 M76 E77 | L69-E73 WeakPolarHBondContact O-CB 3.47Å; L69-E73 PolarHBondContact O-N 3.45Å; E73-K75 VanDerWaalsContact C-N 3.31Å; E73-K75 PolarHBondContact O-N 2.83Å; E73-M76 PolarHBondContact O-N 2.85Å; E73-E77 PolarHBondContact O-N 2.89Å |
| 74 | L | 96.8 | Very high | 95.6 | Very high | 102 Ų | 102 | 92 Ų | 92 | 53% | 0.534 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 176.8 | -74.1 | 171.8 | 0 | 0 | 0 | 112.5 | S70 V71 E72 R78 | S70-L74 WeakPolarHBondContact O-CG 3.33Å; S70-L74 PolarHBondContact O-N 3.42Å; S70-L74 VanDerWaalsContact O-N 3.09Å; V71-L74 PolarHBondContact O-N 2.92Å; E72-L74 PolarHBondContact O-N 2.92Å; L74-R78 WeakPolarHBondContact O-CB 3.47Å; L74-R78 PolarHBondContact O-N 3.34Å |
| 75 | K | 95.9 | Very high | 95.1 | Very high | 90 Ų | 90 | 96.4 Ų | 96.4 | 39% | 0.391 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 174.5 | -77.2 | 172.8 | -176.7 | 170.4 | 0 | 111 | V71 E72 E73 R78 D79 | V71-K75 HydrophobicContact CG1-CD 4.21Å; V71-K75 VanDerWaalsContact O-CG 3.3Å; V71-K75 WeakPolarHBondContact O-CG 3.5Å; V71-K75 PolarHBondContact O-N 2.88Å; E72-K75 WeakPolarHBondContact O-CB 3.45Å; E72-K75 PolarHBondContact O-N 2.73Å; E72-K75 IonicContact OE2-NZ 3.19Å; E73-K75 VanDerWaalsContact C-N 3.31Å; E73-K75 PolarHBondContact O-N 2.83Å; K75-R78 PolarHBondContact O-N 2.97Å; K75-D79 WeakPolarHBondContact O-CB 3.34Å; K75-D79 PolarHBondContact O-N 3.4Å |
| 76 | M | 96.8 | Very high | 94.8 | Very high | 120 Ų | 120 | 96.7 Ų | 96.7 | 59% | 0.591 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.2 | -43.3 | 177.2 | -71.6 | -175.2 | 178.6 | 0 | 0 | 111.8 | E72 E73 D79 N80 | E72-M76 HydrophobicContact CG-CE 4.1Å; E72-M76 WeakPolarHBondContact O-CG 3.35Å; E72-M76 PolarHBondContact O-N 3.21Å; E73-M76 PolarHBondContact O-N 2.85Å; M76-D79 PolarHBondContact O-N 2.93Å; M76-N80 WeakPolarHBondContact O-CB 3.38Å; M76-N80 PolarHBondContact O-N 3.32Å |
| 77 | E | 95.8 | Very high | 94.5 | Very high | 112 Ų | 112 | 96.4 Ų | 96.4 | 52% | 0.523 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 176 | -172.8 | -179.7 | -171.9 | 0 | 0 | 111.4 | E73 D79 N80 L81 | E73-E77 PolarHBondContact O-N 2.89Å; E77-D79 VanDerWaalsContact C-N 3.33Å; E77-D79 PolarHBondContact O-N 2.88Å; E77-N80 PolarHBondContact O-N 3.42Å; E77-L81 HydrophobicContact CG-CD1 4.17Å; E77-L81 WeakPolarHBondContact O-CB 3.38Å; E77-L81 WeakPolarHBondContact O-CG 3.34Å; E77-L81 PolarHBondContact O-N 3.14Å |
| 78 | R | 96.1 | Very high | 94 | Very high | 129 Ų | 129 | 96.4 Ų | 96.4 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 175.4 | 173.8 | -89.9 | -60.7 | -170.7 | 0.3 | 111.9 | L74 K75 K82 | L74-R78 WeakPolarHBondContact O-CB 3.47Å; L74-R78 PolarHBondContact O-N 3.34Å; K75-R78 PolarHBondContact O-N 2.97Å; R78-K82 VanDerWaalsContact O-CB 3.26Å; R78-K82 WeakPolarHBondContact O-CB 3.3Å; R78-K82 PolarHBondContact O-N 3.01Å |
| 79 | D | 96.3 | Very high | 93.5 | Very high | 74 Ų | 74 | 98.3 Ų | 98.3 | 40% | 0.396 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70 | -36.4 | -179.5 | -75.9 | -28.7 | 0 | 0 | 0 | 112.1 | K75 M76 E77 K82 A83 | K75-D79 WeakPolarHBondContact O-CB 3.34Å; K75-D79 PolarHBondContact O-N 3.4Å; M76-D79 PolarHBondContact O-N 2.93Å; E77-D79 VanDerWaalsContact C-N 3.33Å; E77-D79 PolarHBondContact O-N 2.88Å; D79-K82 PolarHBondContact O-N 3.31Å; D79-A83 WeakPolarHBondContact O-CB 3.29Å; D79-A83 PolarHBondContact O-N 2.96Å |
| 80 | N | 95.3 | Very high | 92.8 | Very high | 105 Ų | 105 | 101.3 Ų | 101.3 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.3 | -48.7 | 173.1 | -175.6 | 57.8 | 0 | 0 | 0 | 111.8 | M76 E77 K82 A83 E84 | M76-N80 WeakPolarHBondContact O-CB 3.38Å; M76-N80 PolarHBondContact O-N 3.32Å; E77-N80 PolarHBondContact O-N 3.42Å; N80-K82 VanDerWaalsContact C-N 3.3Å; N80-K82 PolarHBondContact O-N 3.33Å; N80-A83 PolarHBondContact O-N 3.06Å; N80-E84 WeakPolarHBondContact O-CB 3.39Å; N80-E84 PolarHBondContact O-N 2.81Å |
| 81 | L | 94.2 | Very high | 91.9 | Very high | 94 Ų | 94 | 103.4 Ų | 103.4 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 176.3 | -74.1 | 172.3 | 0 | 0 | 0 | 111.9 | E77 E84 L85 | E77-L81 HydrophobicContact CG-CD1 4.17Å; E77-L81 WeakPolarHBondContact O-CB 3.38Å; E77-L81 WeakPolarHBondContact O-CG 3.34Å; E77-L81 PolarHBondContact O-N 3.14Å; L81-E84 PolarHBondContact O-N 3.13Å; L81-L85 WeakPolarHBondContact O-CB 3.32Å; L81-L85 PolarHBondContact O-N 3.05Å |
| 82 | K | 94.6 | Very high | 90.3 | Very high | 119 Ų | 119 | 103.6 Ų | 103.6 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.8 | -172.5 | 178.1 | 178.1 | -175.3 | 0 | 111.5 | R78 D79 N80 L85 D86 | R78-K82 VanDerWaalsContact O-CB 3.26Å; R78-K82 WeakPolarHBondContact O-CB 3.3Å; R78-K82 PolarHBondContact O-N 3.01Å; D79-K82 PolarHBondContact O-N 3.31Å; N80-K82 VanDerWaalsContact C-N 3.3Å; N80-K82 PolarHBondContact O-N 3.33Å; K82-L85 PolarHBondContact O-N 3.23Å; K82-D86 WeakPolarHBondContact O-CB 3.47Å; K82-D86 PolarHBondContact O-N 3.3Å |
| 83 | A | 93.9 | Very high | 88.4 | Confident | 56 Ų | 56 | 103.1 Ų | 103.1 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D79 N80 D86 R87 | D79-A83 WeakPolarHBondContact O-CB 3.29Å; D79-A83 PolarHBondContact O-N 2.96Å; N80-A83 PolarHBondContact O-N 3.06Å; A83-D86 PolarHBondContact O-N 2.98Å; A83-R87 WeakPolarHBondContact O-CB 3.3Å; A83-R87 PolarHBondContact O-N 3.14Å |
| 84 | E | 91.6 | Very high | 86.2 | Confident | 107 Ų | 107 | 100.7 Ų | 100.7 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 174.7 | -172 | 171.8 | -168 | 0 | 0 | 111.3 | N80 L81 R87 I88 | N80-E84 WeakPolarHBondContact O-CB 3.39Å; N80-E84 PolarHBondContact O-N 2.81Å; L81-E84 PolarHBondContact O-N 3.13Å; E84-R87 WeakPolarHBondContact O-CB 3.46Å; E84-R87 PolarHBondContact O-N 2.6Å; E84-I88 HydrophobicContact CG-CD1 4.19Å; E84-I88 WeakPolarHBondContact O-CG1 3.38Å; E84-I88 PolarHBondContact O-N 3.25Å |
| 85 | L | 86.4 | Confident | 83.8 | Confident | 101 Ų | 101 | 100.4 Ų | 100.4 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 174.4 | -178 | 64.5 | 0 | 0 | 0 | 111.9 | L81 K82 R87 I88 I89 | L81-L85 WeakPolarHBondContact O-CB 3.32Å; L81-L85 PolarHBondContact O-N 3.05Å; K82-L85 PolarHBondContact O-N 3.23Å; L85-R87 PolarHBondContact O-N 2.91Å; L85-I88 PolarHBondContact O-N 3.48Å; L85-I89 HydrophobicContact CD1-CD1 4.26Å; L85-I89 HydrophobicContact CG-CD1 3.95Å; L85-I89 VanDerWaalsContact O-CG1 3.3Å; L85-I89 WeakPolarHBondContact O-CG1 3.39Å; L85-I89 PolarHBondContact O-N 2.85Å |
| 86 | D | 90.9 | Very high | 81.5 | Confident | 83 Ų | 83 | 99.6 Ų | 99.6 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -36.2 | 177.9 | -75.5 | -21.8 | 0 | 0 | 0 | 111.7 | K82 A83 R90 | K82-D86 WeakPolarHBondContact O-CB 3.47Å; K82-D86 PolarHBondContact O-N 3.3Å; A83-D86 PolarHBondContact O-N 2.98Å; D86-R90 PolarHBondContact O-N 3.07Å |
| 87 | R | 91 | Very high | 78.9 | Confident | 148 Ų | 148 | 96.7 Ų | 96.7 | 56% | 0.558 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.2 | -47.8 | 173.9 | -177.4 | -178.7 | 174 | -147.2 | -11.8 | 111.7 | A83 E84 L85 I89 R90 E91 | A83-R87 WeakPolarHBondContact O-CB 3.3Å; A83-R87 PolarHBondContact O-N 3.14Å; E84-R87 WeakPolarHBondContact O-CB 3.46Å; E84-R87 PolarHBondContact O-N 2.6Å; L85-R87 PolarHBondContact O-N 2.91Å; R87-I89 VanDerWaalsContact C-N 3.31Å; R87-I89 PolarHBondContact O-N 2.89Å; R87-R90 PolarHBondContact O-N 3.2Å; R87-E91 HydrophobicContact CG-CG 4.34Å; R87-E91 IonicContact CZ-OE1 2.84Å; R87-E91 IonicContact NE-OE1 2.73Å; R87-E91 PolarHBondContact NE-OE1 3.48Å; R87-E91 IonicContact NH2-OE1 3.87Å; R87-E91 PolarHBondContact NH2-OE1 3.32Å; R87-E91 IonicContact NH2-OE2 2.91Å; R87-E91 WeakPolarHBondContact O-CB 3.27Å; R87-E91 WeakPolarHBondContact O-CG 3.35Å; R87-E91 PolarHBondContact O-N 3.39Å |
| 88 | I | 85.8 | Confident | 76.2 | Confident | 99 Ų | 99 | 100 Ų | 100 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 177.7 | -68.6 | 165.8 | 0 | 0 | 0 | 110.6 | E84 L85 E91 G92 | E84-I88 HydrophobicContact CG-CD1 4.19Å; E84-I88 WeakPolarHBondContact O-CG1 3.38Å; E84-I88 PolarHBondContact O-N 3.25Å; L85-I88 PolarHBondContact O-N 3.48Å; I88-E91 PolarHBondContact O-N 3.48Å; I88-G92 PolarHBondContact O-N 3.39Å |
| 89 | I | 84.8 | Confident | 73.4 | Confident | 95 Ų | 95 | 99.2 Ų | 99.2 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 176.5 | -68.3 | 167.6 | 0 | 0 | 0 | 110.8 | L85 R87 S93 | L85-I89 HydrophobicContact CD1-CD1 4.26Å; L85-I89 HydrophobicContact CG-CD1 3.95Å; L85-I89 VanDerWaalsContact O-CG1 3.3Å; L85-I89 WeakPolarHBondContact O-CG1 3.39Å; L85-I89 PolarHBondContact O-N 2.85Å; R87-I89 VanDerWaalsContact C-N 3.31Å; R87-I89 PolarHBondContact O-N 2.89Å; I89-S93 WeakPolarHBondContact O-CB 3.33Å; I89-S93 PolarHBondContact O-N 3.49Å; I89-S93 VanDerWaalsContact O-N 3.11Å; I89-S93 PolarHBondContact O-OG 3.43Å |
| 90 | R | 81.2 | Confident | 70.9 | Confident | 172 Ų | 172 | 99.3 Ų | 99.3 | 65% | 0.649 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67 | -42.2 | 176.5 | -90.6 | 178.2 | 68.2 | -111.8 | 3.8 | 113.2 | D86 R87 S93 S94 | D86-R90 PolarHBondContact O-N 3.07Å; R87-R90 PolarHBondContact O-N 3.2Å; R90-S93 PolarHBondContact O-N 2.93Å; R90-S94 WeakPolarHBondContact O-CB 3.3Å; R90-S94 PolarHBondContact O-N 3.23Å; R90-S94 PolarHBondContact O-OG 2.98Å |
| 91 | E | 76.5 | Confident | 68.2 | Low | 100 Ų | 100 | 102.5 Ų | 102.5 | 47% | 0.467 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.8 | -40.2 | 179 | -72.9 | -179.4 | -178.9 | 0 | 0 | 111.4 | R87 I88 S93 S94 S95 | R87-E91 HydrophobicContact CG-CG 4.34Å; R87-E91 IonicContact CZ-OE1 2.84Å; R87-E91 IonicContact NE-OE1 2.73Å; R87-E91 PolarHBondContact NE-OE1 3.48Å; R87-E91 IonicContact NH2-OE1 3.87Å; R87-E91 PolarHBondContact NH2-OE1 3.32Å; R87-E91 IonicContact NH2-OE2 2.91Å; R87-E91 WeakPolarHBondContact O-CB 3.27Å; R87-E91 WeakPolarHBondContact O-CG 3.35Å; R87-E91 PolarHBondContact O-N 3.39Å; I88-E91 PolarHBondContact O-N 3.48Å; E91-S93 VanDerWaalsContact C-N 3.25Å; E91-S93 PolarHBondContact O-N 2.87Å; E91-S94 PolarHBondContact O-N 2.91Å; E91-S95 PolarHBondContact O-N 3.09Å; E91-S95 PolarHBondContact O-OG 2.91Å |
| 92 | G | 61.9 | Low | 66 | Low | 43 Ų | 43 | 106.9 Ų | 106.9 | 44% | 0.443 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.7 | -26.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I88 S95 | I88-G92 PolarHBondContact O-N 3.39Å; G92-S95 PolarHBondContact O-OG 2.94Å |
| 93 | S | 55.8 | Low | 63.1 | Low | 78 Ų | 78 | 107 Ų | 107 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -85.7 | -30.4 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 113.1 | I89 R90 E91 S96 | I89-S93 WeakPolarHBondContact O-CB 3.33Å; I89-S93 PolarHBondContact O-N 3.49Å; I89-S93 VanDerWaalsContact O-N 3.11Å; I89-S93 PolarHBondContact O-OG 3.43Å; R90-S93 PolarHBondContact O-N 2.93Å; E91-S93 VanDerWaalsContact C-N 3.25Å; E91-S93 PolarHBondContact O-N 2.87Å; S93-S96 PolarHBondContact O-N 3.2Å |
| 94 | S | 49 | Very low | 60.8 | Low | 88 Ų | 88 | 111.1 Ų | 111.1 | 62% | 0.615 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -83.1 | -22.8 | -175.9 | -54.2 | 0 | 0 | 0 | 0 | 113.4 | R90 E91 S96 G97 | R90-S94 WeakPolarHBondContact O-CB 3.3Å; R90-S94 PolarHBondContact O-N 3.23Å; R90-S94 PolarHBondContact O-OG 2.98Å; E91-S94 PolarHBondContact O-N 2.91Å; S94-S96 PolarHBondContact O-N 2.77Å; S94-G97 PolarHBondContact O-N 3.08Å |
| 95 | S | 46.3 | Very low | 58.2 | Low | 95 Ų | 95 | 108.1 Ų | 108.1 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -9.9 | 169.5 | 58.3 | 0 | 0 | 0 | 0 | 113.5 | E91 G92 | E91-S95 PolarHBondContact O-N 3.09Å; E91-S95 PolarHBondContact O-OG 2.91Å; G92-S95 PolarHBondContact O-OG 2.94Å |
| 96 | S | 47.3 | Very low | 56.4 | Low | 73 Ų | 73 | 108.4 Ų | 108.4 | 51% | 0.51 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.1 | 4.1 | 176.9 | -64.2 | 0 | 0 | 0 | 0 | 114 | S93 S94 | S93-S96 PolarHBondContact O-N 3.2Å; S94-S96 PolarHBondContact O-N 2.77Å |
| 97 | G | 42.2 | Very low | 54.2 | Low | 60 Ų | 60 | 112.2 Ų | 112.2 | 62% | 0.619 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -93.7 | -5.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | S94 | S94-G97 PolarHBondContact O-N 3.08Š|
| 98 | Q | 39.9 | Very low | 52 | Low | 181 Ų | 181 | 110.8 Ų | 110.8 | 85% | 0.846 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -141.7 | 85.1 | 178.1 | -80 | -174.5 | 3.2 | 0 | 0 | 111.8 | ||
| 99 | T | 36 | Very low | 50.4 | Low | 113 Ų | 113 | 113 Ų | 113 | 69% | 0.693 | 67% | 0.673 | S | S | * | * | trans | -173.7 | 104.1 | 137.5 | 31.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 100 | G | 45.1 | Very low | 48.8 | Very low | 76 Ų | 76 | 115.2 Ų | 115.2 | 78% | 0.784 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -58.2 | 139.7 | 143.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||
| 101 | Q | 38.4 | Very low | 47.7 | Very low | 171 Ų | 171 | 110.3 Ų | 110.3 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 75.8 | 106.7 | -173 | -89.6 | 163.8 | -16.4 | 0 | 0 | 116.6 | ||
| 102 | Q | 46.9 | Very low | 47 | Very low | 187 Ų | 187 | 109.9 Ų | 109.9 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | trans | 36.1 | 90.1 | 138 | -69.9 | 177.1 | 3.2 | 0 | 0 | 116.2 | ||||
| 103 | T | 35.4 | Very low | 47 | Very low | 122 Ų | 122 | 114.6 Ų | 114.6 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | -151.7 | 113.9 | 128.9 | 45.6 | 0 | 0 | 0 | 0 | 108.2 | G105 | T103-G105 PolarHBondContact O-N 3.01Š| |||
| 104 | V | 44.1 | Very low | 47.6 | Very low | 142 Ų | 142 | 117.7 Ų | 117.7 | 86% | 0.861 | 71% | 0.705 | S | S | * | * | trans | -71.5 | 95.5 | 169.9 | 177 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 105 | G | 37.1 | Very low | 48.9 | Very low | 44 Ų | 44 | 116.7 Ų | 116.7 | 45% | 0.454 | 69% | 0.693 | S | S | . | * | trans | -67.4 | 138.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T103 N107 Q108 | T103-G105 PolarHBondContact O-N 3.01Å; G105-N107 PolarHBondContact O-N 3.3Å; G105-Q108 PolarHBondContact O-N 3.07Å; G105-Q108 VanDerWaalsContact O-N 3.1Å | ||
| 106 | A | 48 | Very low | 50.5 | Low | 106 Ų | 106 | 118 Ų | 118 | 88% | 0.876 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 1.7 | -164.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 107 | N | 44.7 | Very low | 51.9 | Low | 163 Ų | 163 | 121.1 Ų | 121.1 | 87% | 0.872 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | 12.4 | 179.5 | -77.1 | -11.9 | 0 | 0 | 0 | 114.2 | G105 L109 | G105-N107 PolarHBondContact O-N 3.3Å; N107-L109 PolarHBondContact O-N 3.22Å |
| 108 | Q | 45.7 | Very low | 53.5 | Low | 119 Ų | 119 | 123 Ų | 123 | 56% | 0.556 | 70% | 0.698 | S | S | * | * | trans | -93.3 | 90.3 | 172.5 | -158.1 | 83.4 | 35.6 | 0 | 0 | 109.6 | G105 V110 | G105-Q108 PolarHBondContact O-N 3.07Å; G105-Q108 VanDerWaalsContact O-N 3.1Å; Q108-V110 PolarHBondContact O-N 2.9Å | ||
| 109 | L | 51.3 | Low | 55.2 | Low | 146 Ų | 146 | 119.8 Ų | 119.8 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | -70 | 110.4 | 163.1 | -73.1 | 164.9 | 0 | 0 | 0 | 107 | N107 V111 | N107-L109 PolarHBondContact O-N 3.22Å; L109-V111 HydrophobicContact CB-CG2 3.85Å; L109-V111 PolarHBondContact O-N 2.73Å | ||
| 110 | V | 52.5 | Low | 57.4 | Low | 140 Ų | 140 | 123.4 Ų | 123.4 | 85% | 0.848 | 69% | 0.694 | S | S | * | * | trans | -63 | 93.5 | 155.1 | 175.9 | 0 | 0 | 0 | 0 | 105 | Q108 D112 | Q108-V110 PolarHBondContact O-N 2.9Å; V110-D112 PolarHBondContact O-N 2.95Å | ||
| 111 | V | 58.4 | Low | 59.1 | Low | 69 Ų | 69 | 126.8 Ų | 126.8 | 42% | 0.418 | 69% | 0.687 | S | S | . | * | trans | -76.4 | 96.1 | -178.5 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | L109 L113 | L109-V111 HydrophobicContact CB-CG2 3.85Å; L109-V111 PolarHBondContact O-N 2.73Å; V111-L113 HydrophobicContact CG1-CD2 4.44Å; V111-L113 PolarHBondContact O-N 3.33Å; V111-L113 VanDerWaalsContact O-N 3.12Å | ||
| 112 | D | 60.4 | Low | 61.4 | Low | 91 Ų | 91 | 122.3 Ų | 122.3 | 49% | 0.487 | 67% | 0.672 | S | S | . | * | trans | -64.9 | 110.5 | 165.1 | -171.5 | -6.3 | 0 | 0 | 0 | 108.2 | V110 N114 D115 | V110-D112 PolarHBondContact O-N 2.95Å; D112-N114 PolarHBondContact O-N 2.95Å; D112-N114 WeakPolarHBondContact OD1-CB 3.19Å; D112-N114 PolarHBondContact OD1-N 3.39Å; D112-D115 HydrophobicContact CB-CB 4.07Å; D112-D115 PolarHBondContact O-N 2.92Å | ||
| 113 | L | 63.4 | Low | 63.5 | Low | 142 Ų | 142 | 119.4 Ų | 119.4 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -15.1 | 178 | -68 | 169.9 | 0 | 0 | 0 | 112 | V111 | V111-L113 HydrophobicContact CG1-CD2 4.44Å; V111-L113 PolarHBondContact O-N 3.33Å; V111-L113 VanDerWaalsContact O-N 3.12Å |
| 114 | N | 67.7 | Low | 66 | Low | 144 Ų | 144 | 119.9 Ų | 119.9 | 77% | 0.77 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 3.6 | -179.5 | -69.8 | -26.8 | 0 | 0 | 0 | 114.1 | D112 P116 | D112-N114 PolarHBondContact O-N 2.95Å; D112-N114 WeakPolarHBondContact OD1-CB 3.19Å; D112-N114 PolarHBondContact OD1-N 3.39Å; N114-P116 WeakPolarHBondContact O-CD 3.41Å |
| 115 | D | 76.8 | Confident | 68.2 | Low | 67 Ų | 67 | 116.9 Ų | 116.9 | 36% | 0.358 | 63% | 0.63 | S | S | . | * | trans | -70.8 | 113.7 | 178.2 | 177.9 | 5.3 | 0 | 0 | 0 | 110.8 | D112 N117 R118 | D112-D115 HydrophobicContact CB-CB 4.07Å; D112-D115 PolarHBondContact O-N 2.92Å; D115-N117 PolarHBondContact O-N 3.27Å; D115-N117 PolarHBondContact OD1-N 3.33Å; D115-R118 HydrophobicContact CB-CB 4.14Å; D115-R118 WeakPolarHBondContact O-CB 3.45Å; D115-R118 PolarHBondContact O-N 2.96Å; D115-R118 VanDerWaalsContact O-N 3.14Å | ||
| 116 | P | 79.1 | Confident | 70.8 | Confident | 121 Ų | 121 | 118.7 Ų | 118.7 | 79% | 0.786 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -20.4 | -180 | 27 | -33.6 | 0 | 0 | 0 | 113.5 | N114 | N114-P116 WeakPolarHBondContact O-CD 3.41Š|
| 117 | N | 77 | Confident | 72.9 | Confident | 140 Ų | 140 | 120.2 Ų | 120.2 | 75% | 0.749 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 1.7 | 177.2 | -62.3 | -60.9 | 0 | 0 | 0 | 113 | D115 P119 | D115-N117 PolarHBondContact O-N 3.27Å; D115-N117 PolarHBondContact OD1-N 3.33Å; N117-P119 WeakPolarHBondContact O-CD 3.4Å |
| 118 | R | 75.9 | Confident | 75.2 | Confident | 99 Ų | 99 | 117 Ų | 117 | 37% | 0.374 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -59.9 | 126.7 | 176.8 | -177.2 | 179.9 | 176.5 | -80.7 | 2.7 | 109.7 | D115 R120 | D115-R118 HydrophobicContact CB-CB 4.14Å; D115-R118 WeakPolarHBondContact O-CB 3.45Å; D115-R118 PolarHBondContact O-N 2.96Å; D115-R118 VanDerWaalsContact O-N 3.14Å; R118-R120 WeakPolarHBondContact O-CG 3.47Å; R118-R120 PolarHBondContact O-N 3.22Å |
| 119 | P | 76.2 | Confident | 77.6 | Confident | 114 Ų | 114 | 115.6 Ų | 115.6 | 74% | 0.74 | 60% | 0.595 | S | S | * | * | trans | -58.9 | 109.4 | 170.7 | -23.5 | 34.1 | 0 | 0 | 0 | 110 | N117 | N117-P119 WeakPolarHBondContact O-CD 3.4Š| ||
| 120 | R | 82.4 | Confident | 79.7 | Confident | 189 Ų | 189 | 112.1 Ų | 112.1 | 71% | 0.713 | 58% | 0.577 | S | S | * | * | trans | -95.1 | -13.3 | -179.4 | -66.4 | -178.4 | 122.3 | -161.1 | 0.1 | 113.4 | R118 | R118-R120 WeakPolarHBondContact O-CG 3.47Å; R118-R120 PolarHBondContact O-N 3.22Å | ||
| 121 | F | 79.7 | Confident | 81.8 | Confident | 146 Ų | 146 | 111.7 Ų | 111.7 | 64% | 0.64 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -123.1 | 143.4 | -172.8 | -54.7 | -70.3 | 0 | 0 | 0 | 110.6 | E125 | F121-E125 WeakPolarHBondContact CA-OE2 3.24Å; F121-E125 HydrophobicContact CB-CB 4.42Å |
| 122 | T | 86.1 | Confident | 83.6 | Confident | 78 Ų | 78 | 114.1 Ų | 114.1 | 48% | 0.479 | 57% | 0.572 | S | S | . | * | trans | -73.4 | 161 | 168.8 | 66.7 | 0 | 0 | 0 | 0 | 110.7 | Q124 E125 L126 | T122-Q124 PolarHBondContact O-N 3.3Å; T122-E125 WeakPolarHBondContact CB-OE2 3.37Å; T122-E125 WeakPolarHBondContact CG2-OE2 3.3Å; T122-E125 PolarHBondContact N-OE2 3.48Å; T122-E125 PolarHBondContact O-N 2.97Å; T122-E125 WeakPolarHBondContact OG1-CG 3.49Å; T122-E125 PolarHBondContact OG1-N 2.84Å; T122-E125 PolarHBondContact OG1-OE2 3.38Å; T122-L126 PolarHBondContact O-N 3.33Å | ||
| 123 | M | 91.6 | Very high | 85.4 | Confident | 125 Ų | 125 | 115.7 Ų | 115.7 | 62% | 0.616 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.3 | -23.9 | 174.8 | -73.1 | -67.3 | 85.8 | 0 | 0 | 113.8 | L126 K127 | M123-L126 HydrophobicContact CE-CB 4.22Å; M123-L126 HydrophobicContact CE-CD2 3.66Å; M123-K127 VanDerWaalsContact O-CG 3.24Å; M123-K127 WeakPolarHBondContact O-CG 3.41Å; M123-K127 PolarHBondContact O-N 3.41Å |
| 124 | Q | 88.2 | Confident | 87 | Confident | 132 Ų | 132 | 112.9 Ų | 112.9 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.4 | -50.3 | 175.5 | 179.1 | 171.7 | -11.6 | 0 | 0 | 110.8 | T122 L126 K127 E128 | T122-Q124 PolarHBondContact O-N 3.3Å; Q124-L126 VanDerWaalsContact C-N 3.29Å; Q124-L126 PolarHBondContact O-N 2.91Å; Q124-K127 WeakPolarHBondContact O-CB 3.37Å; Q124-K127 PolarHBondContact O-N 3.37Å; Q124-E128 VanDerWaalsContact CG-OE1 3.26Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.37Å; Q124-E128 PolarHBondContact NE2-OE1 3.38Å; Q124-E128 WeakPolarHBondContact O-CG 3.33Å; Q124-E128 PolarHBondContact O-N 3Å |
| 125 | E | 89.3 | Confident | 88.4 | Confident | 79 Ų | 79 | 111.4 Ų | 111.4 | 37% | 0.369 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 177.6 | -69.9 | 162.9 | 125.6 | 0 | 0 | 111.5 | F121 T122 K127 E128 V129 | F121-E125 WeakPolarHBondContact CA-OE2 3.24Å; F121-E125 HydrophobicContact CB-CB 4.42Å; T122-E125 WeakPolarHBondContact CB-OE2 3.37Å; T122-E125 WeakPolarHBondContact CG2-OE2 3.3Å; T122-E125 PolarHBondContact N-OE2 3.48Å; T122-E125 PolarHBondContact O-N 2.97Å; T122-E125 WeakPolarHBondContact OG1-CG 3.49Å; T122-E125 PolarHBondContact OG1-N 2.84Å; T122-E125 PolarHBondContact OG1-OE2 3.38Å; E125-K127 VanDerWaalsContact C-N 3.33Å; E125-K127 PolarHBondContact O-N 2.88Å; E125-E128 PolarHBondContact O-N 3.35Å; E125-V129 WeakPolarHBondContact O-CG2 3.28Å; E125-V129 PolarHBondContact O-N 3.43Å |
| 126 | L | 92.5 | Very high | 89.4 | Confident | 83 Ų | 83 | 112.8 Ų | 112.8 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.8 | -39 | 176.7 | -176.3 | 61.7 | 0 | 0 | 0 | 112.3 | T122 M123 Q124 L130 | T122-L126 PolarHBondContact O-N 3.33Å; M123-L126 HydrophobicContact CE-CB 4.22Å; M123-L126 HydrophobicContact CE-CD2 3.66Å; Q124-L126 VanDerWaalsContact C-N 3.29Å; Q124-L126 PolarHBondContact O-N 2.91Å; L126-L130 HydrophobicContact CD1-CD1 4.35Å; L126-L130 HydrophobicContact CD1-CG 4.42Å; L126-L130 HydrophobicContact CG-CD1 4.09Å; L126-L130 WeakPolarHBondContact O-CB 3.5Å; L126-L130 VanDerWaalsContact O-CG 3.25Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 2.99Å |
| 127 | K | 93.1 | Very high | 90.3 | Very high | 137 Ų | 137 | 113.1 Ų | 113.1 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.9 | -44.7 | 175.9 | -78.6 | 173 | -178.6 | 179.7 | 0 | 111.2 | M123 Q124 E125 L130 Q131 | M123-K127 VanDerWaalsContact O-CG 3.24Å; M123-K127 WeakPolarHBondContact O-CG 3.41Å; M123-K127 PolarHBondContact O-N 3.41Å; Q124-K127 WeakPolarHBondContact O-CB 3.37Å; Q124-K127 PolarHBondContact O-N 3.37Å; E125-K127 VanDerWaalsContact C-N 3.33Å; E125-K127 PolarHBondContact O-N 2.88Å; K127-L130 PolarHBondContact O-N 2.9Å; K127-Q131 WeakPolarHBondContact O-CB 3.29Å; K127-Q131 VanDerWaalsContact O-CG 3.28Å; K127-Q131 WeakPolarHBondContact O-CG 3.46Å; K127-Q131 PolarHBondContact O-N 3.19Å |
| 128 | E | 93.3 | Very high | 91.2 | Very high | 97 Ų | 97 | 108.8 Ų | 108.8 | 45% | 0.453 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.5 | -50.6 | 178.4 | -72.5 | 171.5 | -168.6 | 0 | 0 | 110.7 | Q124 E125 L130 Q131 E132 | Q124-E128 VanDerWaalsContact CG-OE1 3.26Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.37Å; Q124-E128 PolarHBondContact NE2-OE1 3.38Å; Q124-E128 WeakPolarHBondContact O-CG 3.33Å; Q124-E128 PolarHBondContact O-N 3Å; E125-E128 PolarHBondContact O-N 3.35Å; E128-L130 VanDerWaalsContact C-N 3.32Å; E128-L130 PolarHBondContact O-N 3.01Å; E128-Q131 PolarHBondContact O-N 3.38Å; E128-E132 WeakPolarHBondContact O-CB 3.44Å; E128-E132 PolarHBondContact O-N 3.03Å |
| 129 | V | 94.6 | Very high | 92.2 | Very high | 89 Ų | 89 | 109.1 Ų | 109.1 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 177.6 | 173.4 | 0 | 0 | 0 | 0 | 112 | E125 R133 | E125-V129 WeakPolarHBondContact O-CG2 3.28Å; E125-V129 PolarHBondContact O-N 3.43Å; V129-R133 VanDerWaalsContact O-CB 3.3Å; V129-R133 WeakPolarHBondContact O-CB 3.48Å; V129-R133 PolarHBondContact O-N 3.42Å |
| 130 | L | 96.6 | Very high | 93.2 | Very high | 72 Ų | 72 | 108.4 Ų | 108.4 | 38% | 0.377 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.5 | -39.5 | 176.9 | -78.8 | 172 | 0 | 0 | 0 | 112.5 | L126 K127 E128 N134 | L126-L130 HydrophobicContact CD1-CD1 4.35Å; L126-L130 HydrophobicContact CD1-CG 4.42Å; L126-L130 HydrophobicContact CG-CD1 4.09Å; L126-L130 WeakPolarHBondContact O-CB 3.5Å; L126-L130 VanDerWaalsContact O-CG 3.25Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 2.99Å; K127-L130 PolarHBondContact O-N 2.9Å; E128-L130 VanDerWaalsContact C-N 3.32Å; E128-L130 PolarHBondContact O-N 3.01Å; L130-N134 WeakPolarHBondContact O-CB 3.41Å; L130-N134 VanDerWaalsContact O-CG 3.23Å; L130-N134 PolarHBondContact O-N 2.84Å; L130-N134 PolarHBondContact O-ND2 3.08Å |
| 131 | Q | 96.4 | Very high | 93.8 | Very high | 132 Ų | 132 | 105.3 Ų | 105.3 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.3 | -46.8 | 175.9 | -76.5 | 176.6 | -12 | 0 | 0 | 110.8 | K127 E128 R133 N134 Q135 | K127-Q131 WeakPolarHBondContact O-CB 3.29Å; K127-Q131 VanDerWaalsContact O-CG 3.28Å; K127-Q131 WeakPolarHBondContact O-CG 3.46Å; K127-Q131 PolarHBondContact O-N 3.19Å; E128-Q131 PolarHBondContact O-N 3.38Å; Q131-R133 PolarHBondContact O-N 3.22Å; Q131-N134 PolarHBondContact O-N 2.97Å; Q131-Q135 WeakPolarHBondContact O-CB 3.42Å; Q131-Q135 PolarHBondContact O-N 3.37Å |
| 132 | E | 96.8 | Very high | 94.5 | Very high | 120 Ų | 120 | 101.8 Ų | 101.8 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.9 | -47.1 | 176 | -172.5 | -178 | 179.7 | 0 | 0 | 111.3 | E128 N134 Q135 L136 | E128-E132 WeakPolarHBondContact O-CB 3.44Å; E128-E132 PolarHBondContact O-N 3.03Å; E132-N134 VanDerWaalsContact C-N 3.3Å; E132-N134 PolarHBondContact O-N 3.43Å; E132-Q135 WeakPolarHBondContact O-CB 3.41Å; E132-Q135 PolarHBondContact O-N 3.26Å; E132-Q135 VanDerWaalsContact O-N 3.15Å; E132-L136 HydrophobicContact CG-CD1 4.17Å; E132-L136 WeakPolarHBondContact O-CG 3.29Å; E132-L136 PolarHBondContact O-N 2.84Å |
| 133 | R | 97.3 | Very high | 94.8 | Very high | 123 Ų | 123 | 100.6 Ų | 100.6 | 46% | 0.464 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 175.9 | -175.8 | -88.1 | -65.4 | 176.2 | -3.5 | 112.1 | V129 Q131 K137 | V129-R133 VanDerWaalsContact O-CB 3.3Å; V129-R133 WeakPolarHBondContact O-CB 3.48Å; V129-R133 PolarHBondContact O-N 3.42Å; Q131-R133 PolarHBondContact O-N 3.22Å; R133-K137 VanDerWaalsContact O-CB 3.27Å; R133-K137 WeakPolarHBondContact O-CB 3.48Å; R133-K137 PolarHBondContact O-N 3.26Å |
| 134 | N | 97.3 | Very high | 94.9 | Very high | 83 Ų | 83 | 99.5 Ų | 99.5 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 177.2 | -75.3 | -19.3 | 0 | 0 | 0 | 111.7 | L130 Q131 E132 K137 A138 | L130-N134 WeakPolarHBondContact O-CB 3.41Å; L130-N134 VanDerWaalsContact O-CG 3.23Å; L130-N134 PolarHBondContact O-N 2.84Å; L130-N134 PolarHBondContact O-ND2 3.08Å; Q131-N134 PolarHBondContact O-N 2.97Å; E132-N134 VanDerWaalsContact C-N 3.3Å; E132-N134 PolarHBondContact O-N 3.43Å; N134-K137 PolarHBondContact O-N 2.83Å; N134-A138 PolarHBondContact O-N 2.91Å |
| 135 | Q | 97.3 | Very high | 95.1 | Very high | 114 Ų | 114 | 98.7 Ų | 98.7 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 177.6 | -176.4 | 61.5 | 22.7 | 0 | 0 | 111.5 | Q131 E132 K137 A138 Q139 | Q131-Q135 WeakPolarHBondContact O-CB 3.42Å; Q131-Q135 PolarHBondContact O-N 3.37Å; E132-Q135 WeakPolarHBondContact O-CB 3.41Å; E132-Q135 PolarHBondContact O-N 3.26Å; E132-Q135 VanDerWaalsContact O-N 3.15Å; Q135-K137 VanDerWaalsContact C-N 3.29Å; Q135-K137 PolarHBondContact O-N 2.84Å; Q135-A138 PolarHBondContact O-N 2.96Å; Q135-Q139 PolarHBondContact O-N 3.02Å |
| 136 | L | 97.7 | Very high | 95.1 | Very high | 95 Ų | 95 | 99.7 Ų | 99.7 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 176.7 | -70 | 173.3 | 0 | 0 | 0 | 111.7 | E132 A138 Q139 L140 | E132-L136 HydrophobicContact CG-CD1 4.17Å; E132-L136 WeakPolarHBondContact O-CG 3.29Å; E132-L136 PolarHBondContact O-N 2.84Å; L136-A138 VanDerWaalsContact C-N 3.35Å; L136-A138 PolarHBondContact O-N 3.18Å; L136-Q139 PolarHBondContact O-N 2.66Å; L136-L140 VanDerWaalsContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CB 3.49Å; L136-L140 PolarHBondContact O-N 3.3Å |
| 137 | K | 97.6 | Very high | 95 | Very high | 128 Ų | 128 | 100.3 Ų | 100.3 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 175.4 | -173.4 | 176.3 | -178.8 | -179.2 | 0 | 111.9 | R133 N134 Q135 L140 M141 | R133-K137 VanDerWaalsContact O-CB 3.27Å; R133-K137 WeakPolarHBondContact O-CB 3.48Å; R133-K137 PolarHBondContact O-N 3.26Å; N134-K137 PolarHBondContact O-N 2.83Å; Q135-K137 VanDerWaalsContact C-N 3.29Å; Q135-K137 PolarHBondContact O-N 2.84Å; K137-L140 PolarHBondContact O-N 3.01Å; K137-M141 PolarHBondContact O-N 2.95Å |
| 138 | A | 96.4 | Very high | 94.7 | Very high | 49 Ų | 49 | 100.2 Ų | 100.2 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N134 Q135 L136 L140 M141 V142 | N134-A138 PolarHBondContact O-N 2.91Å; Q135-A138 PolarHBondContact O-N 2.96Å; L136-A138 VanDerWaalsContact C-N 3.35Å; L136-A138 PolarHBondContact O-N 3.18Å; A138-L140 VanDerWaalsContact C-N 3.33Å; A138-L140 PolarHBondContact O-N 3.42Å; A138-M141 WeakPolarHBondContact O-CB 3.34Å; A138-M141 PolarHBondContact O-N 3.09Å; A138-M141 VanDerWaalsContact O-N 3.14Å; A138-V142 WeakPolarHBondContact O-CG2 3.41Å; A138-V142 PolarHBondContact O-N 2.84Å |
| 139 | Q | 96.3 | Very high | 94.2 | Very high | 107 Ų | 107 | 98.1 Ų | 98.1 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 176 | -71.4 | 178.2 | 0.8 | 0 | 0 | 112.2 | Q135 L136 M141 V142 A143 | Q135-Q139 PolarHBondContact O-N 3.02Å; L136-Q139 PolarHBondContact O-N 2.66Å; Q139-M141 VanDerWaalsContact C-N 3.29Å; Q139-M141 PolarHBondContact O-N 3.12Å; Q139-V142 PolarHBondContact O-N 3.38Å; Q139-A143 WeakPolarHBondContact O-CB 3.43Å; Q139-A143 PolarHBondContact O-N 2.88Å |
| 140 | L | 96.3 | Very high | 93.7 | Very high | 99 Ų | 99 | 100.3 Ų | 100.3 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 175.8 | -177.5 | 68.1 | 0 | 0 | 0 | 111.4 | L136 K137 A138 A143 Q144 | L136-L140 VanDerWaalsContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CB 3.49Å; L136-L140 PolarHBondContact O-N 3.3Å; K137-L140 PolarHBondContact O-N 3.01Å; A138-L140 VanDerWaalsContact C-N 3.33Å; A138-L140 PolarHBondContact O-N 3.42Å; L140-A143 PolarHBondContact O-N 3.33Å; L140-Q144 HydrophobicContact CD1-CG 4.42Å; L140-Q144 HydrophobicContact CG-CG 4.44Å; L140-Q144 VanDerWaalsContact O-CB 3.31Å; L140-Q144 WeakPolarHBondContact O-CB 3.32Å; L140-Q144 WeakPolarHBondContact O-CG 3.2Å; L140-Q144 PolarHBondContact O-N 3.36Å |
| 141 | M | 95.6 | Very high | 93.1 | Very high | 124 Ų | 124 | 104.8 Ų | 104.8 | 61% | 0.611 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 178.7 | -137.3 | 179.2 | 81.5 | 0 | 0 | 111.3 | K137 A138 Q139 Q144 E145 | K137-M141 PolarHBondContact O-N 2.95Å; A138-M141 WeakPolarHBondContact O-CB 3.34Å; A138-M141 PolarHBondContact O-N 3.09Å; A138-M141 VanDerWaalsContact O-N 3.14Å; Q139-M141 VanDerWaalsContact C-N 3.29Å; Q139-M141 PolarHBondContact O-N 3.12Å; M141-Q144 PolarHBondContact O-N 3.34Å; M141-E145 WeakPolarHBondContact O-CB 3.33Å; M141-E145 PolarHBondContact O-N 3.14Å |
| 142 | V | 94.1 | Very high | 92.3 | Very high | 72 Ų | 72 | 101.9 Ų | 101.9 | 44% | 0.436 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | A138 Q139 Q144 E145 E146 | A138-V142 WeakPolarHBondContact O-CG2 3.41Å; A138-V142 PolarHBondContact O-N 2.84Å; Q139-V142 PolarHBondContact O-N 3.38Å; V142-Q144 VanDerWaalsContact C-N 3.28Å; V142-Q144 PolarHBondContact O-N 3.06Å; V142-E145 WeakPolarHBondContact O-CB 3.44Å; V142-E145 PolarHBondContact O-N 3.37Å; V142-E145 VanDerWaalsContact O-N 3.13Å; V142-E146 HydrophobicContact CG1-CG 4.48Å; V142-E146 WeakPolarHBondContact O-CG 3.33Å; V142-E146 PolarHBondContact O-N 3.47Å |
| 143 | A | 93.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 99.1 Ų | 99.1 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -35.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q139 L140 L147 | Q139-A143 WeakPolarHBondContact O-CB 3.43Å; Q139-A143 PolarHBondContact O-N 2.88Å; L140-A143 PolarHBondContact O-N 3.33Å; A143-L147 WeakPolarHBondContact O-CB 3.43Å; A143-L147 PolarHBondContact O-N 3.17Å |
| 144 | Q | 93.6 | Very high | 89.3 | Confident | 102 Ų | 102 | 99.1 Ų | 99.1 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.2 | -40.4 | 174.1 | -77.3 | 176.4 | -13.4 | 0 | 0 | 112.1 | L140 M141 V142 L147 Q148 | L140-Q144 HydrophobicContact CD1-CG 4.42Å; L140-Q144 HydrophobicContact CG-CG 4.44Å; L140-Q144 VanDerWaalsContact O-CB 3.31Å; L140-Q144 WeakPolarHBondContact O-CB 3.32Å; L140-Q144 WeakPolarHBondContact O-CG 3.2Å; L140-Q144 PolarHBondContact O-N 3.36Å; M141-Q144 PolarHBondContact O-N 3.34Å; V142-Q144 VanDerWaalsContact C-N 3.28Å; V142-Q144 PolarHBondContact O-N 3.06Å; Q144-L147 PolarHBondContact O-N 3.07Å; Q144-Q148 WeakPolarHBondContact O-CG 3.29Å; Q144-Q148 PolarHBondContact O-N 2.93Å |
| 145 | E | 91.9 | Very high | 87.3 | Confident | 115 Ų | 115 | 98.3 Ų | 98.3 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 173.9 | -179.2 | 176.6 | -167.2 | 0 | 0 | 111 | M141 V142 L147 Q148 L149 | M141-E145 WeakPolarHBondContact O-CB 3.33Å; M141-E145 PolarHBondContact O-N 3.14Å; V142-E145 WeakPolarHBondContact O-CB 3.44Å; V142-E145 PolarHBondContact O-N 3.37Å; V142-E145 VanDerWaalsContact O-N 3.13Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 PolarHBondContact O-N 3.43Å; E145-Q148 WeakPolarHBondContact O-CA 3.49Å; E145-Q148 WeakPolarHBondContact O-CB 3.47Å; E145-Q148 PolarHBondContact O-N 3.1Å; E145-Q148 VanDerWaalsContact O-N 3.08Å; E145-L149 HydrophobicContact CG-CD1 4.4Å; E145-L149 WeakPolarHBondContact O-CG 3.5Å; E145-L149 PolarHBondContact O-N 3.41Å |
| 146 | E | 89.8 | Confident | 85.2 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.2 | -48.8 | 175.2 | -72 | 177.1 | -177.8 | 0 | 0 | 111.3 | V142 Q148 L149 Y150 | V142-E146 HydrophobicContact CG1-CG 4.48Å; V142-E146 WeakPolarHBondContact O-CG 3.33Å; V142-E146 PolarHBondContact O-N 3.47Å; E146-Q148 VanDerWaalsContact C-N 3.26Å; E146-Q148 PolarHBondContact O-N 3.23Å; E146-L149 WeakPolarHBondContact O-CB 3.37Å; E146-L149 PolarHBondContact O-N 3Å; E146-L149 VanDerWaalsContact O-N 3.09Å; E146-Y150 HydrophobicContact CB-CE2 4.38Å; E146-Y150 WeakPolarHBondContact O-CD2 3.33Å; E146-Y150 PolarHBondContact O-N 3.38Å |
| 147 | L | 88.9 | Confident | 83 | Confident | 95 Ų | 95 | 102 Ų | 102 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.1 | -38 | 177 | -171.1 | 74.8 | 0 | 0 | 0 | 112.1 | A143 Q144 E145 Y150 K151 | A143-L147 WeakPolarHBondContact O-CB 3.43Å; A143-L147 PolarHBondContact O-N 3.17Å; Q144-L147 PolarHBondContact O-N 3.07Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 PolarHBondContact O-N 3.43Å; L147-Y150 PolarHBondContact O-N 3.49Å; L147-K151 WeakPolarHBondContact O-CG 3.41Å; L147-K151 PolarHBondContact O-N 3.1Å |
| 148 | Q | 87.4 | Confident | 80.8 | Confident | 135 Ų | 135 | 101.1 Ų | 101.1 | 63% | 0.631 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68 | -38.6 | 175 | -76.1 | -177.2 | 0.9 | 0 | 0 | 112.2 | Q144 E145 E146 K151 S152 | Q144-Q148 WeakPolarHBondContact O-CG 3.29Å; Q144-Q148 PolarHBondContact O-N 2.93Å; E145-Q148 WeakPolarHBondContact O-CA 3.49Å; E145-Q148 WeakPolarHBondContact O-CB 3.47Å; E145-Q148 PolarHBondContact O-N 3.1Å; E145-Q148 VanDerWaalsContact O-N 3.08Å; E146-Q148 VanDerWaalsContact C-N 3.26Å; E146-Q148 PolarHBondContact O-N 3.23Å; Q148-K151 PolarHBondContact O-N 3.24Å; Q148-S152 WeakPolarHBondContact O-CB 3.4Å; Q148-S152 PolarHBondContact O-N 3.48Å; Q148-S152 PolarHBondContact O-OG 3.39Å |
| 149 | L | 83.5 | Confident | 78.2 | Confident | 54 Ų | 54 | 106.6 Ų | 106.6 | 28% | 0.283 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.8 | -40.7 | 174 | -69.1 | 172.7 | 0 | 0 | 0 | 111.9 | E145 E146 S152 G153 I154 L155 | E145-L149 HydrophobicContact CG-CD1 4.4Å; E145-L149 WeakPolarHBondContact O-CG 3.5Å; E145-L149 PolarHBondContact O-N 3.41Å; E146-L149 WeakPolarHBondContact O-CB 3.37Å; E146-L149 PolarHBondContact O-N 3Å; E146-L149 VanDerWaalsContact O-N 3.09Å; L149-S152 WeakPolarHBondContact CA-OG 3.47Å; L149-S152 PolarHBondContact O-N 3.47Å; L149-S152 PolarHBondContact O-OG 3.39Å; L149-S152 VanDerWaalsContact O-OG 3.13Å; L149-G153 PolarHBondContact O-N 2.83Å; L149-I154 HydrophobicContact CD2-CB 4.31Å; L149-I154 HydrophobicContact CD2-CD1 4.37Å; L149-I154 HydrophobicContact CD2-CG2 4.3Å; L149-I154 PolarHBondContact O-N 2.61Å; L149-L155 HydrophobicContact CB-CD1 4.46Å |
| 150 | Y | 83 | Confident | 75.7 | Confident | 135 Ų | 135 | 106.4 Ų | 106.4 | 53% | 0.529 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.2 | -44.5 | 172.9 | -73.7 | -68.4 | 0 | 0 | 0 | 111.9 | E146 L147 S152 G153 L155 | E146-Y150 HydrophobicContact CB-CE2 4.38Å; E146-Y150 WeakPolarHBondContact O-CD2 3.33Å; E146-Y150 PolarHBondContact O-N 3.38Å; L147-Y150 PolarHBondContact O-N 3.49Å; Y150-S152 VanDerWaalsContact C-N 3.35Å; Y150-S152 PolarHBondContact O-N 2.84Å; Y150-G153 PolarHBondContact O-N 3.15Å; Y150-L155 HydrophobicContact CD1-CB 4.13Å; Y150-L155 HydrophobicContact CD1-CD2 4.11Å; Y150-L155 HydrophobicContact CE1-CB 4.14Å; Y150-L155 HydrophobicContact CE1-CD2 3.41Å; Y150-L155 VanDerWaalsContact CE1-CD2 3.41Å; Y150-L155 HydrophobicContact CE1-CG 4.38Å; Y150-L155 HydrophobicContact CE2-CD2 4.01Å; Y150-L155 WeakPolarHBondContact OH-CD2 3.31Å |
| 151 | K | 84.5 | Confident | 73 | Confident | 165 Ų | 165 | 107.2 Ų | 107.2 | 72% | 0.717 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68 | -31.8 | 178.8 | -75.2 | 179 | 179.1 | -177.5 | 0 | 113.5 | L147 Q148 G153 | L147-K151 WeakPolarHBondContact O-CG 3.41Å; L147-K151 PolarHBondContact O-N 3.1Å; Q148-K151 PolarHBondContact O-N 3.24Å; K151-G153 VanDerWaalsContact C-N 3.3Å |
| 152 | S | 79.7 | Confident | 70.3 | Confident | 71 Ų | 71 | 109.5 Ų | 109.5 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -82.3 | -6.2 | 178.8 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | Q148 L149 Y150 I154 | Q148-S152 WeakPolarHBondContact O-CB 3.4Å; Q148-S152 PolarHBondContact O-N 3.48Å; Q148-S152 PolarHBondContact O-OG 3.39Å; L149-S152 WeakPolarHBondContact CA-OG 3.47Å; L149-S152 PolarHBondContact O-N 3.47Å; L149-S152 PolarHBondContact O-OG 3.39Å; L149-S152 VanDerWaalsContact O-OG 3.13Å; Y150-S152 VanDerWaalsContact C-N 3.35Å; Y150-S152 PolarHBondContact O-N 2.84Å; S152-I154 VanDerWaalsContact C-N 3.34Å; S152-I154 WeakPolarHBondContact OG-CD1 3.38Å |
| 153 | G | 68.3 | Low | 68 | Low | 62 Ų | 62 | 111.5 Ų | 111.5 | 64% | 0.639 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.4 | 19.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L149 Y150 K151 | L149-G153 PolarHBondContact O-N 2.83Å; Y150-G153 PolarHBondContact O-N 3.15Å; K151-G153 VanDerWaalsContact C-N 3.3Å |
| 154 | I | 63.8 | Low | 65.7 | Low | 123 Ų | 123 | 116.7 Ų | 116.7 | 63% | 0.631 | 62% | 0.624 | S | S | * | * | trans | -88.5 | -23.6 | -176.7 | -62.2 | 170.7 | 0 | 0 | 0 | 111.6 | L149 S152 | L149-I154 HydrophobicContact CD2-CB 4.31Å; L149-I154 HydrophobicContact CD2-CD1 4.37Å; L149-I154 HydrophobicContact CD2-CG2 4.3Å; L149-I154 PolarHBondContact O-N 2.61Å; S152-I154 VanDerWaalsContact C-N 3.34Å; S152-I154 WeakPolarHBondContact OG-CD1 3.38Å | ||
| 155 | L | 53.4 | Low | 63.5 | Low | 66 Ų | 66 | 117.2 Ų | 117.2 | 35% | 0.346 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -91.9 | 134.3 | 173.8 | -128.5 | 75.5 | 0 | 0 | 0 | 110.7 | L149 Y150 Q157 | L149-L155 HydrophobicContact CB-CD1 4.46Å; Y150-L155 HydrophobicContact CD1-CB 4.13Å; Y150-L155 HydrophobicContact CD1-CD2 4.11Å; Y150-L155 HydrophobicContact CE1-CB 4.14Å; Y150-L155 HydrophobicContact CE1-CD2 3.41Å; Y150-L155 VanDerWaalsContact CE1-CD2 3.41Å; Y150-L155 HydrophobicContact CE1-CG 4.38Å; Y150-L155 HydrophobicContact CE2-CD2 4.01Å; Y150-L155 WeakPolarHBondContact OH-CD2 3.31Å; L155-Q157 PolarHBondContact O-N 3.31Å |
| 156 | P | 54.4 | Low | 61.2 | Low | 111 Ų | 111 | 118.8 Ų | 118.8 | 72% | 0.721 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -59 | 128.3 | 172.3 | 23.6 | -31.7 | 0 | 0 | 0 | 109.1 | S158 | P156-S158 PolarHBondContact O-N 3.45Å; P156-S158 VanDerWaalsContact O-N 3.08Å |
| 157 | Q | 50.2 | Low | 59.3 | Low | 175 Ų | 175 | 121.9 Ų | 121.9 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 120 | 164 | -67.3 | -151.5 | -7.4 | 0 | 0 | 106.6 | L155 E159 | L155-Q157 PolarHBondContact O-N 3.31Å; Q157-E159 VanDerWaalsContact C-N 3.33Å; Q157-E159 PolarHBondContact O-N 3.01Å |
| 158 | S | 52 | Low | 57 | Low | 110 Ų | 110 | 120.2 Ų | 120.2 | 77% | 0.769 | 67% | 0.671 | S | S | * | * | trans | -56.6 | 106.4 | 163.8 | 53.9 | 0 | 0 | 0 | 0 | 106.3 | P156 | P156-S158 PolarHBondContact O-N 3.45Å; P156-S158 VanDerWaalsContact O-N 3.08Å | ||
| 159 | E | 41.3 | Very low | 55 | Low | 165 Ų | 165 | 120 Ų | 120 | 77% | 0.771 | 68% | 0.679 | S | S | * | * | trans | -48.8 | 130.9 | 174.2 | -69 | -175 | 143.5 | 0 | 0 | 108.9 | Q157 T161 | Q157-E159 VanDerWaalsContact C-N 3.33Å; Q157-E159 PolarHBondContact O-N 3.01Å; E159-T161 VanDerWaalsContact C-N 3.32Å; E159-T161 PolarHBondContact O-N 3.5Å | ||
| 160 | P | 44.7 | Very low | 53 | Low | 102 Ų | 102 | 122.8 Ų | 122.8 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | trans | -65.8 | 104.4 | 160 | 28.2 | -27.6 | 0 | 0 | 0 | 105.3 | M162 | P160-M162 PolarHBondContact O-N 2.93Š| ||
| 161 | T | 39.1 | Very low | 51 | Low | 117 Ų | 117 | 122.1 Ų | 122.1 | 72% | 0.718 | 71% | 0.712 | S | S | * | * | trans | -62.1 | 88.7 | 165.1 | -46.4 | 0 | 0 | 0 | 0 | 106.6 | E159 V163 | E159-T161 VanDerWaalsContact C-N 3.32Å; E159-T161 PolarHBondContact O-N 3.5Å; T161-V163 PolarHBondContact O-N 3.16Å | ||
| 162 | M | 40 | Very low | 49.2 | Very low | 172 Ų | 172 | 118.9 Ų | 118.9 | 85% | 0.847 | 72% | 0.717 | S | S | * | * | trans | -64.9 | 88.9 | 164.3 | -71.7 | -162.8 | -108.8 | 0 | 0 | 106.4 | P160 D164 | P160-M162 PolarHBondContact O-N 2.93Å; M162-D164 PolarHBondContact O-N 3.35Å | ||
| 163 | V | 44.9 | Very low | 47.3 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | -75.4 | 106.8 | 160.9 | -116.3 | 0 | 0 | 0 | 0 | 105.9 | T161 V165 | T161-V163 PolarHBondContact O-N 3.16Å; V163-V165 PolarHBondContact O-N 3.13Å; V163-V165 VanDerWaalsContact O-N 3.08Å | ||
| 164 | D | 45.7 | Very low | 45.9 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | trans | -58.4 | 105.9 | 168.1 | -161.6 | 14.1 | 0 | 0 | 0 | 107.6 | M162 D166 | M162-D164 PolarHBondContact O-N 3.35Å; D164-D166 PolarHBondContact O-N 2.88Å | ||
| 165 | V | 46.9 | Very low | 44.9 | Very low | 113 Ų | 113 | 130 Ų | 130 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | -87.1 | 97.1 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 107.1 | V163 L167 | V163-V165 PolarHBondContact O-N 3.13Å; V163-V165 VanDerWaalsContact O-N 3.08Å; V165-L167 PolarHBondContact O-N 3.44Å | ||
| 166 | D | 44.1 | Very low | 44 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -54.6 | 118.7 | 168.8 | -176.5 | 36.4 | 0 | 0 | 0 | 110 | D164 G168 | D164-D166 PolarHBondContact O-N 2.88Å; D166-G168 VanDerWaalsContact C-N 3.27Å; D166-G168 PolarHBondContact O-N 3.18Å | ||
| 167 | L | 50.2 | Low | 43.7 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -75.3 | 76.7 | 177.9 | -108.6 | 81.4 | 0 | 0 | 0 | 109.9 | V165 | V165-L167 PolarHBondContact O-N 3.44Š| ||
| 168 | G | 40.8 | Very low | 43 | Very low | 60 Ų | 60 | 126.6 Ų | 126.6 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | trans | -97.2 | 104.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | D166 | D166-G168 VanDerWaalsContact C-N 3.27Å; D166-G168 PolarHBondContact O-N 3.18Å | ||
| 169 | T | 43.4 | Very low | 42.4 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -29.4 | 125 | 174.9 | -36.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 170 | P | 42.3 | Very low | 42.6 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 138.6 | 170.6 | 31.7 | -30.3 | 0 | 0 | 0 | 110.9 | A172 | P170-A172 PolarHBondContact O-N 2.9Š|
| 171 | P | 40.3 | Very low | 42.9 | Very low | 121 Ų | 121 | 126 Ų | 126 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 128.8 | 161.4 | 30 | -28.6 | 0 | 0 | 0 | 108.2 | T173 | P171-T173 PolarHBondContact O-N 3.42Š|
| 172 | A | 46.8 | Very low | 43.5 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 122.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P170 | P170-A172 PolarHBondContact O-N 2.9Š|
| 173 | T | 40.7 | Very low | 44.6 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | -136.9 | 93.3 | 151.5 | 44.4 | 0 | 0 | 0 | 0 | 108.2 | P171 | P171-T173 PolarHBondContact O-N 3.42Š| ||
| 174 | E | 38.9 | Very low | 46.2 | Very low | 191 Ų | 191 | 125.3 Ų | 125.3 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | trans | 49.4 | 118 | 135.6 | -57.9 | -170.8 | 160.5 | 0 | 0 | 119.6 | ||||
| 175 | D | 42.5 | Very low | 47.7 | Very low | 169 Ų | 169 | 122.6 Ų | 122.6 | 90% | 0.904 | 74% | 0.741 | S | S | * | * | trans | -32.5 | 133.7 | 157.1 | -98.7 | -47.2 | 0 | 0 | 0 | 114.9 | ||||
| 176 | G | 34.8 | Very low | 49.1 | Very low | 66 Ų | 66 | 122.7 Ų | 122.7 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | trans | -155.7 | 61.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S178 | G176-S178 PolarHBondContact O-N 2.91Å; G176-S178 VanDerWaalsContact O-N 3.16Å | ||
| 177 | S | 47.6 | Very low | 50.5 | Low | 118 Ų | 118 | 117 Ų | 117 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | trans | -50.7 | 116.1 | 165.1 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 178 | S | 36.7 | Very low | 52 | Low | 96 Ų | 96 | 115.9 Ų | 115.9 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | trans | -156.6 | 96.7 | 159.8 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | G176 | G176-S178 PolarHBondContact O-N 2.91Å; G176-S178 VanDerWaalsContact O-N 3.16Å | ||
| 179 | T | 39 | Very low | 53.8 | Low | 110 Ų | 110 | 119.2 Ų | 119.2 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | trans | 36.1 | 111.3 | 136 | 62.8 | 0 | 0 | 0 | 0 | 116.2 | N181 | T179-N181 PolarHBondContact O-N 3.37Š| ||
| 180 | V | 45.3 | Very low | 55.4 | Low | 149 Ų | 149 | 119.2 Ų | 119.2 | 90% | 0.903 | 69% | 0.692 | S | S | * | * | trans | -61.8 | 86.4 | 161.9 | -174.8 | 0 | 0 | 0 | 0 | 107.8 | E182 | V180-E182 PolarHBondContact O-N 2.96Š| ||
| 181 | N | 50.3 | Low | 56.6 | Low | 104 Ų | 104 | 118.1 Ų | 118.1 | 56% | 0.556 | 69% | 0.687 | S | S | * | * | trans | -80 | 102.5 | 171.2 | -123.5 | -42.2 | 0 | 0 | 0 | 104.7 | T179 K183 | T179-N181 PolarHBondContact O-N 3.37Å; N181-K183 HydrophobicContact CB-CD 4.39Å; N181-K183 HydrophobicContact CB-CG 4.17Å; N181-K183 PolarHBondContact O-N 3.2Å | ||
| 182 | E | 52 | Low | 57.7 | Low | 187 Ų | 187 | 120.8 Ų | 120.8 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | trans | -69.8 | 58.1 | 176.3 | -149.4 | 177.9 | -160.5 | 0 | 0 | 109.6 | V180 T184 | V180-E182 PolarHBondContact O-N 2.96Å; E182-T184 PolarHBondContact O-N 2.92Å | ||
| 183 | K | 63.2 | Low | 57.7 | Low | 107 Ų | 107 | 127.9 Ų | 127.9 | 47% | 0.465 | 69% | 0.693 | S | S | . | * | trans | -66.7 | 123.9 | 177 | -72.6 | 174.3 | 179.8 | 177.8 | 0 | 106.8 | N181 K188 | N181-K183 HydrophobicContact CB-CD 4.39Å; N181-K183 HydrophobicContact CB-CG 4.17Å; N181-K183 PolarHBondContact O-N 3.2Å; K183-K188 HydrophobicContact CB-CG 4.09Å; K183-K188 VanDerWaalsContact O-CE 3.31Å; K183-K188 WeakPolarHBondContact O-CE 3.46Å | ||
| 184 | T | 77.9 | Confident | 57.9 | Low | 94 Ų | 94 | 133.5 Ų | 133.5 | 58% | 0.577 | 70% | 0.699 | S | S | * | * | trans | -49 | 148.8 | 172 | 68.7 | 0 | 0 | 0 | 0 | 109.2 | E182 I186 G187 K188 | E182-T184 PolarHBondContact O-N 2.92Å; T184-I186 CarbonylContact O-C 3.58Å; T184-I186 PolarHBondContact O-N 3.37Å; T184-G187 CarbonylContact O-C 3.55Å; T184-G187 WeakPolarHBondContact O-CA 3.35Å; T184-G187 PolarHBondContact O-N 2.93Å; T184-G187 PolarHBondContact OG1-N 2.82Å; T184-K188 PolarHBondContact O-N 3.33Å | ||
| 185 | T | 77.7 | Confident | 57.9 | Low | 106 Ų | 106 | 137.5 Ų | 137.5 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -51.5 | -35.1 | 178.3 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | K188 L189 | T185-K188 WeakPolarHBondContact O-CB 3.47Å; T185-K188 PolarHBondContact O-N 3.17Å; T185-L189 WeakPolarHBondContact O-CG 3.26Å; T185-L189 PolarHBondContact O-N 3.14Å; T185-L189 VanDerWaalsContact O-N 3.13Å |
| 186 | I | 76.8 | Confident | 58.6 | Low | 115 Ų | 115 | 135.9 Ų | 135.9 | 59% | 0.59 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -63.7 | -48 | 172.4 | -62.6 | 170 | 0 | 0 | 0 | 111.3 | T184 K188 L189 F190 | T184-I186 CarbonylContact O-C 3.58Å; T184-I186 PolarHBondContact O-N 3.37Å; I186-K188 PolarHBondContact O-N 3.2Å; I186-L189 PolarHBondContact O-N 3.07Å; I186-F190 HydrophobicContact CG2-CD2 3.84Å; I186-F190 HydrophobicContact CG2-CE2 4.14Å; I186-F190 WeakPolarHBondContact O-CD2 3.45Å; I186-F190 PolarHBondContact O-N 3.1Å; I186-F190 VanDerWaalsContact O-N 3.08Å |
| 187 | G | 73.2 | Confident | 59.9 | Low | 28 Ų | 28 | 139.6 Ų | 139.6 | 29% | 0.289 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -61 | -26 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T184 | T184-G187 CarbonylContact O-C 3.55Å; T184-G187 WeakPolarHBondContact O-CA 3.35Å; T184-G187 PolarHBondContact O-N 2.93Å; T184-G187 PolarHBondContact OG1-N 2.82Å |
| 188 | K | 82.4 | Confident | 60.6 | Low | 141 Ų | 141 | 140.8 Ų | 140.8 | 61% | 0.613 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -74.2 | -35.9 | 171.2 | -66.1 | 177.6 | -179.6 | 170.6 | 0 | 112.4 | K183 T184 T185 I186 | K183-K188 HydrophobicContact CB-CG 4.09Å; K183-K188 VanDerWaalsContact O-CE 3.31Å; K183-K188 WeakPolarHBondContact O-CE 3.46Å; T184-K188 PolarHBondContact O-N 3.33Å; T185-K188 WeakPolarHBondContact O-CB 3.47Å; T185-K188 PolarHBondContact O-N 3.17Å; I186-K188 PolarHBondContact O-N 3.2Å |
| 189 | L | 78.8 | Confident | 62 | Low | 130 Ų | 130 | 143.4 Ų | 143.4 | 68% | 0.681 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -73.4 | -29.5 | 179.6 | -69 | 169.3 | 0 | 0 | 0 | 112.9 | T185 I186 | T185-L189 WeakPolarHBondContact O-CG 3.26Å; T185-L189 PolarHBondContact O-N 3.14Å; T185-L189 VanDerWaalsContact O-N 3.13Å; I186-L189 PolarHBondContact O-N 3.07Å |
| 190 | F | 76.9 | Confident | 63.4 | Low | 131 Ų | 131 | 145.5 Ų | 145.5 | 58% | 0.575 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 33.8 | -174.7 | -60.8 | -75 | 0 | 0 | 0 | 113.7 | I186 F192 | I186-F190 HydrophobicContact CG2-CD2 3.84Å; I186-F190 HydrophobicContact CG2-CE2 4.14Å; I186-F190 WeakPolarHBondContact O-CD2 3.45Å; I186-F190 PolarHBondContact O-N 3.1Å; I186-F190 VanDerWaalsContact O-N 3.08Å; F190-F192 HydrophobicContact CB-CD2 4.43Å; F190-F192 HydrophobicContact CB-CE2 4.14Å; F190-F192 HydrophobicContact CD1-CE2 4.1Å; F190-F192 VanDerWaalsContact O-CD2 3.3Å; F190-F192 WeakPolarHBondContact O-CD2 2.98Å; F190-F192 PolarHBondContact O-N 3.46Å |
| 191 | S | 66.6 | Low | 64.6 | Low | 89 Ų | 89 | 145.3 Ų | 145.3 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | trans | -71.6 | 79.9 | 177.6 | 76.6 | 0 | 0 | 0 | 0 | 111.4 | R193 | S191-R193 PolarHBondContact O-N 3Š| ||
| 192 | F | 63.6 | Low | 65.6 | Low | 178 Ų | 178 | 148.2 Ų | 148.2 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | trans | -77.9 | 109.5 | 167.3 | -63.1 | -75.9 | 0 | 0 | 0 | 107.8 | F190 R194 | F190-F192 HydrophobicContact CB-CD2 4.43Å; F190-F192 HydrophobicContact CB-CE2 4.14Å; F190-F192 HydrophobicContact CD1-CE2 4.1Å; F190-F192 VanDerWaalsContact O-CD2 3.3Å; F190-F192 WeakPolarHBondContact O-CD2 2.98Å; F190-F192 PolarHBondContact O-N 3.46Å; F192-R194 PolarHBondContact O-N 3.45Å | ||
| 193 | R | 47.3 | Very low | 66.7 | Low | 246 Ų | 246 | 145.2 Ų | 145.2 | 93% | 0.928 | 69% | 0.685 | S | S | * | * | trans | -60.2 | 108.8 | 166.9 | -109.1 | -177.1 | 173.5 | -171.9 | -1.5 | 106.7 | S191 K195 | S191-R193 PolarHBondContact O-N 3Å; R193-K195 PolarHBondContact O-N 3.13Å; R193-K195 VanDerWaalsContact O-N 3.14Å | ||
| 194 | R | 45 | Very low | 67 | Low | 248 Ų | 248 | 148.4 Ų | 148.4 | 94% | 0.936 | 70% | 0.703 | S | S | * | * | trans | -53.8 | 120.7 | 162.3 | -88.6 | -175.1 | -178.4 | 153.7 | 0.3 | 106.4 | F192 | F192-R194 PolarHBondContact O-N 3.45Š| ||
| 195 | K | 37.5 | Very low | 66 | Low | 275 Ų | 275 | 153.4 Ų | 153.4 | 100% | 1.196 | 72% | 0.715 | S | S | * | * | trans | -91.7 | 0 | 175.1 | -153.1 | 179.9 | -174 | -177.7 | 0 | 108.9 | R193 | R193-K195 PolarHBondContact O-N 3.13Å; R193-K195 VanDerWaalsContact O-N 3.14Å |
Retrieved 195 of 195 residues in 84.4 ms
(Link to these results)