| 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 | 46.1 | Very low | 76.2 | Confident | 246 Ų | 246 | 120.9 Ų | 120.9 | 100% | 1.212 | 62% | 0.62 | S | S | * | * | 0 | 99.5 | 0 | -66.8 | 170.8 | -178.6 | 0 | 0 | 105.2 | N3 | M1-N3 PolarHBondContact O-N 3.08Š| |||
| 2 | E | 53.8 | Low | 77 | Confident | 186 Ų | 186 | 112.5 Ų | 112.5 | 87% | 0.869 | 58% | 0.579 | S | S | * | * | trans | -72.2 | 124.8 | 175.3 | -80 | 161.5 | 98.1 | 0 | 0 | 108.5 | T4 | E2-T4 VanDerWaalsContact C-N 3.3Å; E2-T4 PolarHBondContact O-N 3.07Å; E2-T4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | N | 58.9 | Low | 77.6 | Confident | 142 Ų | 142 | 104.9 Ų | 104.9 | 76% | 0.759 | 54% | 0.542 | S | S | * | . | trans | -84.8 | 78.9 | 178.5 | -167.2 | 48.3 | 0 | 0 | 0 | 107.8 | M1 E5 | M1-N3 PolarHBondContact O-N 3.08Å; N3-E5 PolarHBondContact O-N 2.94Å | ||
| 4 | T | 72.1 | Confident | 78.1 | Confident | 124 Ų | 124 | 106.1 Ų | 106.1 | 76% | 0.761 | 54% | 0.543 | S | S | * | . | trans | -68.7 | 96.7 | 170.8 | 29.4 | 0 | 0 | 0 | 0 | 108.6 | E2 | E2-T4 VanDerWaalsContact C-N 3.3Å; E2-T4 PolarHBondContact O-N 3.07Å; E2-T4 VanDerWaalsContact O-N 3.12Å | ||
| 5 | E | 79.5 | Confident | 78.6 | Confident | 135 Ų | 135 | 108.2 Ų | 108.2 | 63% | 0.631 | 55% | 0.547 | S | S | * | . | trans | -57.9 | 132.1 | 170.6 | -61.9 | -166.5 | 124.9 | 0 | 0 | 108.9 | N3 T7 | N3-E5 PolarHBondContact O-N 2.94Å; E5-T7 PolarHBondContact O-N 3.23Å | ||
| 6 | P | 85.8 | Confident | 79.4 | Confident | 82 Ų | 82 | 109.9 Ų | 109.9 | 53% | 0.532 | 55% | 0.552 | S | S | . | * | trans | -63.6 | 130.6 | -177.5 | 25.4 | -33.5 | 0 | 0 | 0 | 110.1 | A18 E19 | P6-A18 CarbonylContact O-C 3.53Å; P6-A18 WeakPolarHBondContact O-CA 3.47Å; P6-E19 HydrophobicContact CB-CB 4.26Å; P6-E19 HydrophobicContact CG-CB 4.09Å; P6-E19 WeakPolarHBondContact O-CB 3.36Å; P6-E19 PolarHBondContact O-N 3.02Å | ||
| 7 | T | 90.1 | Very high | 80 | Confident | 80 Ų | 80 | 104.6 Ų | 104.6 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 150.7 | 176.9 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | E5 E16 V17 | E5-T7 PolarHBondContact O-N 3.23Å; T7-E16 PolarHBondContact OG1-OE1 3.44Å; T7-V17 CarbonylContact C-O 3.44Å; T7-V17 WeakPolarHBondContact CA-O 3.31Å |
| 8 | R | 89.1 | Confident | 80.7 | Confident | 120 Ų | 120 | 100.2 Ų | 100.2 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 132 | 172.3 | -178.8 | -179.7 | 173.6 | -166.1 | -4.2 | 109.6 | V17 F22 | R8-V17 PolarHBondContact N-O 3.39Å; R8-V17 PolarHBondContact O-N 3.1Å; R8-F22 HydrophobicContact CB-CD2 3.73Å; R8-F22 HydrophobicContact CB-CE2 4.01Å; R8-F22 HydrophobicContact CB-CG 4.39Å; R8-F22 HydrophobicContact CG-CD2 3.84Å; R8-F22 HydrophobicContact CG-CE2 3.6Å; R8-F22 HydrophobicContact CG-CZ 4.1Å; R8-F22 VanDerWaalsContact CZ-CE1 3.48Å; R8-F22 VanDerWaalsContact NH1-CE1 3.27Å |
| 9 | T | 90.2 | Very high | 81.2 | Confident | 72 Ų | 72 | 101 Ų | 101 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 135.2 | 176.1 | -44.7 | 0 | 0 | 0 | 0 | 111.2 | K15 | T9-K15 WeakPolarHBondContact CA-O 3.27Å |
| 10 | C | 89.3 | Confident | 81.5 | Confident | 3 Ų | 3 | 100.6 Ų | 100.6 | 2% | 0.02 | 52% | 0.523 | C | S | . | . | trans | -87.8 | 120.2 | 175.6 | -178 | 0 | 0 | 0 | 0 | 111.3 | T12 C13 H14 K15 F22 C29 | C10-T12 PolarHBondContact O-N 2.76Å; C10-T12 VanDerWaalsContact O-N 3.1Å; C10-C13 PolarHBondContact O-N 3.04Å; C10-H14 VanDerWaalsContact O-CA 3.23Å; C10-H14 WeakPolarHBondContact O-CA 3.34Å; C10-H14 PolarHBondContact O-N 2.98Å; C10-K15 PolarHBondContact N-O 3.09Å; C10-F22 HydrophobicContact CB-CE2 4.22Å; C10-C29 VanDerWaalsContact SG-SG 3.62Å | ||
| 11 | E | 83.6 | Confident | 81.9 | Confident | 140 Ų | 140 | 100.2 Ų | 100.2 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.6 | 179.5 | -64 | 165.8 | -175.9 | 0 | 0 | 114.5 | ||
| 12 | T | 85.1 | Confident | 84 | Confident | 20 Ų | 20 | 89.1 Ų | 89.1 | 12% | 0.123 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -22.1 | -176.4 | -51.9 | 0 | 0 | 0 | 0 | 113.4 | C10 C29 L33 A42 | C10-T12 PolarHBondContact O-N 2.76Å; C10-T12 VanDerWaalsContact O-N 3.1Å; T12-C29 VanDerWaalsContact CB-SG 3.59Å; T12-L33 HydrophobicContact CG2-CB 4.08Å; T12-A42 WeakPolarHBondContact O-CB 3.42Å |
| 13 | C | 85.3 | Confident | 85.7 | Confident | 14 Ų | 14 | 83.9 Ų | 83.9 | 10% | 0.095 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | 0.1 | 178 | 74.7 | 0 | 0 | 0 | 0 | 114.7 | C10 K15 H25 L33 A42 | C10-C13 PolarHBondContact O-N 3.04Å; C13-K15 PolarHBondContact O-N 3.43Å; C13-H25 PolarHBondContact SG-NE2 2.96Å; C13-L33 HydrophobicContact CB-CD1 3.77Å; C13-A42 HydrophobicContact CB-CB 4.41Å |
| 14 | H | 84.8 | Confident | 87.2 | Confident | 121 Ų | 121 | 83.4 Ų | 83.4 | 56% | 0.56 | 45% | 0.446 | S | S | * | . | trans | 55 | 17 | -179 | -60.8 | 99.2 | 0 | 0 | 0 | 115.6 | C10 | C10-H14 VanDerWaalsContact O-CA 3.23Å; C10-H14 WeakPolarHBondContact O-CA 3.34Å; C10-H14 PolarHBondContact O-N 2.98Å | ||
| 15 | K | 86 | Confident | 88.1 | Confident | 138 Ų | 138 | 79.9 Ų | 79.9 | 60% | 0.6 | 42% | 0.421 | S | S | * | . | trans | -90.6 | 144.5 | 175.1 | -62.5 | 175.6 | -172.5 | -65.3 | 0 | 111.4 | T9 C10 C13 | T9-K15 WeakPolarHBondContact CA-O 3.27Å; C10-K15 PolarHBondContact N-O 3.09Å; C13-K15 PolarHBondContact O-N 3.43Å | ||
| 16 | E | 90.7 | Very high | 88.6 | Confident | 135 Ų | 135 | 76.1 Ų | 76.1 | 63% | 0.631 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 135.9 | 166.6 | -63.1 | -172.1 | 90.8 | 0 | 0 | 110.8 | T7 | T7-E16 PolarHBondContact OG1-OE1 3.44Å |
| 17 | V | 89.9 | Confident | 88.7 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 12% | 0.121 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 134.1 | -178.7 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | T7 R8 E19 N21 F22 H25 | T7-V17 CarbonylContact C-O 3.44Å; T7-V17 WeakPolarHBondContact CA-O 3.31Å; R8-V17 PolarHBondContact N-O 3.39Å; R8-V17 PolarHBondContact O-N 3.1Å; V17-E19 PolarHBondContact O-N 2.94Å; V17-N21 HydrophobicContact CG1-CB 4.25Å; V17-F22 HydrophobicContact CB-CD2 4.26Å; V17-H25 HydrophobicContact CG1-CB 3.82Å; V17-H25 HydrophobicContact CG2-CB 4.31Å |
| 18 | A | 91.9 | Very high | 88.7 | Confident | 25 Ų | 25 | 78.4 Ų | 78.4 | 21% | 0.207 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 133.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | P6 A20 N21 F22 | P6-A18 CarbonylContact O-C 3.53Å; P6-A18 WeakPolarHBondContact O-CA 3.47Å; A18-A20 VanDerWaalsContact C-N 3.26Å; A18-A20 PolarHBondContact O-N 2.79Å; A18-N21 CarbonylContact O-C 3.55Å; A18-N21 WeakPolarHBondContact O-CA 3.49Å; A18-N21 PolarHBondContact O-N 2.99Å; A18-F22 PolarHBondContact O-N 2.81Å |
| 19 | E | 90.1 | Very high | 88.7 | Confident | 116 Ų | 116 | 72.8 Ų | 72.8 | 54% | 0.542 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -56.5 | -39.4 | -170.4 | -168.8 | 179.3 | 141.1 | 0 | 0 | 112.1 | P6 V17 N21 F22 | P6-E19 HydrophobicContact CB-CB 4.26Å; P6-E19 HydrophobicContact CG-CB 4.09Å; P6-E19 WeakPolarHBondContact O-CB 3.36Å; P6-E19 PolarHBondContact O-N 3.02Å; V17-E19 PolarHBondContact O-N 2.94Å; E19-N21 PolarHBondContact O-N 2.92Å; E19-F22 WeakPolarHBondContact O-CB 3.32Å; E19-F22 PolarHBondContact O-N 3Å; E19-F22 VanDerWaalsContact O-N 3.13Å |
| 20 | A | 88.4 | Confident | 88.5 | Confident | 92 Ų | 92 | 74 Ų | 74 | 76% | 0.76 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -59 | -31.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A18 | A18-A20 VanDerWaalsContact C-N 3.26Å; A18-A20 PolarHBondContact O-N 2.79Å |
| 21 | N | 89.2 | Confident | 88.5 | Confident | 93 Ų | 93 | 82.4 Ų | 82.4 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -97.4 | -9.2 | 179.6 | -67.2 | -39.7 | 0 | 0 | 0 | 112.9 | V17 A18 E19 L24 H25 | V17-N21 HydrophobicContact CG1-CB 4.25Å; A18-N21 CarbonylContact O-C 3.55Å; A18-N21 WeakPolarHBondContact O-CA 3.49Å; A18-N21 PolarHBondContact O-N 2.99Å; E19-N21 PolarHBondContact O-N 2.92Å; N21-L24 PolarHBondContact O-N 2.87Å; N21-H25 PolarHBondContact O-N 3.3Å |
| 22 | F | 90.8 | Very high | 88.7 | Confident | 13 Ų | 13 | 80.1 Ų | 80.1 | 6% | 0.057 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -56.9 | -42.3 | -175.1 | -170.4 | -86.1 | 0 | 0 | 0 | 113.7 | R8 C10 V17 A18 E19 L24 H25 E26 | R8-F22 HydrophobicContact CB-CD2 3.73Å; R8-F22 HydrophobicContact CB-CE2 4.01Å; R8-F22 HydrophobicContact CB-CG 4.39Å; R8-F22 HydrophobicContact CG-CD2 3.84Å; R8-F22 HydrophobicContact CG-CE2 3.6Å; R8-F22 HydrophobicContact CG-CZ 4.1Å; R8-F22 VanDerWaalsContact CZ-CE1 3.48Å; R8-F22 VanDerWaalsContact NH1-CE1 3.27Å; C10-F22 HydrophobicContact CB-CE2 4.22Å; V17-F22 HydrophobicContact CB-CD2 4.26Å; A18-F22 PolarHBondContact O-N 2.81Å; E19-F22 WeakPolarHBondContact O-CB 3.32Å; E19-F22 PolarHBondContact O-N 3Å; E19-F22 VanDerWaalsContact O-N 3.13Å; F22-L24 VanDerWaalsContact C-N 3.34Å; F22-L24 PolarHBondContact O-N 3.14Å; F22-H25 PolarHBondContact O-N 3.33Å; F22-E26 HydrophobicContact CD1-CB 4.22Å; F22-E26 HydrophobicContact CE1-CB 3.95Å; F22-E26 HydrophobicContact CE1-CG 4.28Å; F22-E26 WeakPolarHBondContact CE1-OE2 3.26Å; F22-E26 VanDerWaalsContact O-CB 3.25Å; F22-E26 WeakPolarHBondContact O-CB 3.13Å; F22-E26 PolarHBondContact O-N 3Å |
| 23 | P | 89.9 | Confident | 89 | Confident | 77 Ų | 77 | 81.3 Ų | 81.3 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 179.9 | -23.1 | 34.8 | 0 | 0 | 0 | 113.8 | T27 | P23-T27 WeakPolarHBondContact O-CG2 3.23Å; P23-T27 PolarHBondContact O-N 2.94Å; P23-T27 PolarHBondContact O-OG1 3.23Å |
| 24 | L | 89.4 | Confident | 89.2 | Confident | 132 Ų | 132 | 81.6 Ų | 81.6 | 69% | 0.691 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -71.3 | -42.7 | 175.4 | -66.9 | 175.3 | 0 | 0 | 0 | 110.7 | N21 F22 T27 H28 | N21-L24 PolarHBondContact O-N 2.87Å; F22-L24 VanDerWaalsContact C-N 3.34Å; F22-L24 PolarHBondContact O-N 3.14Å; L24-T27 PolarHBondContact O-OG1 2.91Å; L24-T27 VanDerWaalsContact O-OG1 3.12Å; L24-H28 WeakPolarHBondContact O-CB 3.46Å; L24-H28 PolarHBondContact O-N 2.86Å; L24-H28 VanDerWaalsContact O-N 3.16Å |
| 25 | H | 90.6 | Very high | 89.4 | Confident | 49 Ų | 49 | 78.2 Ų | 78.2 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 174.5 | 179.4 | 94.3 | 0 | 0 | 0 | 111.8 | C13 V17 N21 F22 T27 H28 C29 | C13-H25 PolarHBondContact SG-NE2 2.96Å; V17-H25 HydrophobicContact CG1-CB 3.82Å; V17-H25 HydrophobicContact CG2-CB 4.31Å; N21-H25 PolarHBondContact O-N 3.3Å; F22-H25 PolarHBondContact O-N 3.33Å; H25-T27 PolarHBondContact O-N 2.89Å; H25-H28 PolarHBondContact O-N 3.43Å; H25-C29 WeakPolarHBondContact O-CB 3.47Å; H25-C29 PolarHBondContact O-N 3.5Å |
| 26 | E | 90.1 | Very high | 89.6 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.6 | -47.5 | -177.4 | 179.2 | 179.3 | -172.2 | 0 | 0 | 111.3 | F22 C29 K30 | F22-E26 HydrophobicContact CD1-CB 4.22Å; F22-E26 HydrophobicContact CE1-CB 3.95Å; F22-E26 HydrophobicContact CE1-CG 4.28Å; F22-E26 WeakPolarHBondContact CE1-OE2 3.26Å; F22-E26 VanDerWaalsContact O-CB 3.25Å; F22-E26 WeakPolarHBondContact O-CB 3.13Å; F22-E26 PolarHBondContact O-N 3Å; E26-C29 PolarHBondContact O-N 2.87Å; E26-K30 HydrophobicContact CG-CD 3.88Å; E26-K30 HydrophobicContact CG-CG 4.44Å; E26-K30 VanDerWaalsContact O-CB 3.26Å; E26-K30 WeakPolarHBondContact O-CB 3.48Å; E26-K30 WeakPolarHBondContact O-CG 3.41Å; E26-K30 PolarHBondContact O-N 3.18Å; E26-K30 WeakPolarHBondContact OE1-CE 3.33Å; E26-K30 IonicContact OE1-NZ 3.79Å; E26-K30 PolarHBondContact OE1-NZ 3.26Å |
| 27 | T | 88.9 | Confident | 89.3 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 58% | 0.577 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.7 | -38.5 | 178.8 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | P23 L24 H25 R31 | P23-T27 WeakPolarHBondContact O-CG2 3.23Å; P23-T27 PolarHBondContact O-N 2.94Å; P23-T27 PolarHBondContact O-OG1 3.23Å; L24-T27 PolarHBondContact O-OG1 2.91Å; L24-T27 VanDerWaalsContact O-OG1 3.12Å; H25-T27 PolarHBondContact O-N 2.89Å; T27-R31 VanDerWaalsContact O-CB 3.23Å; T27-R31 WeakPolarHBondContact O-CB 3.36Å; T27-R31 PolarHBondContact O-N 3.08Å |
| 28 | H | 89.1 | Confident | 89 | Confident | 116 Ų | 116 | 71.6 Ų | 71.6 | 54% | 0.537 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.8 | -50.8 | 173.7 | -174 | -83.3 | 0 | 0 | 0 | 111.7 | L24 H25 R31 F32 | L24-H28 WeakPolarHBondContact O-CB 3.46Å; L24-H28 PolarHBondContact O-N 2.86Å; L24-H28 VanDerWaalsContact O-N 3.16Å; H25-H28 PolarHBondContact O-N 3.43Å; H28-R31 WeakPolarHBondContact O-CB 3.46Å; H28-R31 PolarHBondContact O-N 3.44Å; H28-R31 VanDerWaalsContact O-N 3.11Å; H28-F32 AromaticContact CD2-CD2 3.77Å; H28-F32 AromaticContact CD2-CE2 3.6Å; H28-F32 AromaticContact CE1-CD2 3.57Å; H28-F32 AromaticContact CG-CD2 3.93Å; H28-F32 AromaticContact ND1-CD2 3.81Å; H28-F32 AromaticContact NE2-CD2 3.53Å; H28-F32 AromaticContact NE2-CE2 3.49Å; H28-F32 WeakPolarHBondContact NE2-CE2 3.47Å; H28-F32 VanDerWaalsContact O-CD2 3.26Å; H28-F32 WeakPolarHBondContact O-CD2 3.31Å; H28-F32 PolarHBondContact O-N 2.68Å |
| 29 | C | 89.3 | Confident | 88.6 | Confident | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.014 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.8 | -52.7 | -178.2 | -169.6 | 0 | 0 | 0 | 0 | 111.2 | C10 T12 H25 E26 R31 F32 L33 | C10-C29 VanDerWaalsContact SG-SG 3.62Å; T12-C29 VanDerWaalsContact CB-SG 3.59Å; H25-C29 WeakPolarHBondContact O-CB 3.47Å; H25-C29 PolarHBondContact O-N 3.5Å; E26-C29 PolarHBondContact O-N 2.87Å; C29-R31 PolarHBondContact O-N 3.29Å; C29-F32 PolarHBondContact O-N 2.68Å; C29-L33 WeakPolarHBondContact O-CA 3.27Å; C29-L33 WeakPolarHBondContact O-CB 3.43Å; C29-L33 PolarHBondContact O-N 3.46Å |
| 30 | K | 86.8 | Confident | 88.3 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 42% | 0.422 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64 | -20.3 | 175.7 | -71.5 | -179.4 | 174.8 | 175.6 | 0 | 113.6 | E26 K45 | E26-K30 HydrophobicContact CG-CD 3.88Å; E26-K30 HydrophobicContact CG-CG 4.44Å; E26-K30 VanDerWaalsContact O-CB 3.26Å; E26-K30 WeakPolarHBondContact O-CB 3.48Å; E26-K30 WeakPolarHBondContact O-CG 3.41Å; E26-K30 PolarHBondContact O-N 3.18Å; E26-K30 WeakPolarHBondContact OE1-CE 3.33Å; E26-K30 IonicContact OE1-NZ 3.79Å; E26-K30 PolarHBondContact OE1-NZ 3.26Å; K30-K45 PolarHBondContact O-NZ 3.09Å |
| 31 | R | 89 | Confident | 88.2 | Confident | 181 Ų | 181 | 73.7 Ų | 73.7 | 68% | 0.683 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -77.7 | -50.6 | 175 | -178 | 174.7 | -179.7 | 175.9 | -0.3 | 111.4 | T27 H28 C29 K45 | T27-R31 VanDerWaalsContact O-CB 3.23Å; T27-R31 WeakPolarHBondContact O-CB 3.36Å; T27-R31 PolarHBondContact O-N 3.08Å; H28-R31 WeakPolarHBondContact O-CB 3.46Å; H28-R31 PolarHBondContact O-N 3.44Å; H28-R31 VanDerWaalsContact O-N 3.11Å; C29-R31 PolarHBondContact O-N 3.29Å; R31-K45 WeakPolarHBondContact O-CD 3.45Å; R31-K45 WeakPolarHBondContact O-CE 3.5Å; R31-K45 PolarHBondContact O-NZ 3.47Å; R31-K45 VanDerWaalsContact O-NZ 3.11Å |
| 32 | F | 87.8 | Confident | 88.2 | Confident | 91 Ų | 91 | 70.7 Ų | 70.7 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -97.2 | -32.3 | -169.2 | -65.5 | -72.3 | 0 | 0 | 0 | 114.8 | H28 C29 P44 K45 | H28-F32 AromaticContact CD2-CD2 3.77Å; H28-F32 AromaticContact CD2-CE2 3.6Å; H28-F32 AromaticContact CE1-CD2 3.57Å; H28-F32 AromaticContact CG-CD2 3.93Å; H28-F32 AromaticContact ND1-CD2 3.81Å; H28-F32 AromaticContact NE2-CD2 3.53Å; H28-F32 AromaticContact NE2-CE2 3.49Å; H28-F32 WeakPolarHBondContact NE2-CE2 3.47Å; H28-F32 VanDerWaalsContact O-CD2 3.26Å; H28-F32 WeakPolarHBondContact O-CD2 3.31Å; H28-F32 PolarHBondContact O-N 2.68Å; C29-F32 PolarHBondContact O-N 2.68Å; F32-P44 CarbonylContact O-C 3.59Å; F32-P44 WeakPolarHBondContact O-CA 3.4Å; F32-K45 PolarHBondContact O-N 2.79Å |
| 33 | L | 90.5 | Very high | 88.2 | Confident | 46 Ų | 46 | 70.5 Ų | 70.5 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 154.7 | -178.7 | -59.5 | 179.8 | 0 | 0 | 0 | 111.8 | T12 C13 C29 P44 K45 | T12-L33 HydrophobicContact CG2-CB 4.08Å; C13-L33 HydrophobicContact CB-CD1 3.77Å; C29-L33 WeakPolarHBondContact O-CA 3.27Å; C29-L33 WeakPolarHBondContact O-CB 3.43Å; C29-L33 PolarHBondContact O-N 3.46Å; L33-P44 HydrophobicContact CD2-CB 4.34Å; L33-P44 HydrophobicContact CD2-CG 3.99Å; L33-K45 WeakPolarHBondContact O-CE 3.44Å |
| 34 | S | 89 | Confident | 88.2 | Confident | 20 Ų | 20 | 68.6 Ų | 68.6 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 133.3 | 175 | 42.2 | 0 | 0 | 0 | 0 | 109.3 | V43 K45 | S34-V43 PolarHBondContact N-O 3.27Å; S34-V43 PolarHBondContact O-N 3.17Å; S34-V43 PolarHBondContact OG-O 3.38Å; S34-V43 VanDerWaalsContact OG-O 3.13Å; S34-K45 WeakPolarHBondContact OG-CG 3.25Å |
| 35 | V | 90.6 | Very high | 88.3 | Confident | 50 Ų | 50 | 67.1 Ų | 67.1 | 30% | 0.303 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 129.6 | 171.4 | -179.9 | 0 | 0 | 0 | 0 | 109 | D40 E41 | V35-D40 HydrophobicContact CG1-CB 4.16Å; V35-E41 CarbonylContact C-O 3.37Å; V35-E41 WeakPolarHBondContact CA-O 3.27Å |
| 36 | C | 88.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -74.9 | 123.2 | 173.5 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | D38 C39 D40 E41 V43 L48 H51 | C36-D38 PolarHBondContact O-N 3.47Å; C36-D38 VanDerWaalsContact O-N 3.17Å; C36-C39 VanDerWaalsContact CB-SG 3.57Å; C36-C39 PolarHBondContact O-N 3.42Å; C36-D40 WeakPolarHBondContact O-CA 3.35Å; C36-D40 PolarHBondContact O-N 3.31Å; C36-E41 PolarHBondContact N-O 3.46Å; C36-V43 HydrophobicContact CB-CG2 4.39Å; C36-L48 HydrophobicContact CB-CD1 3.83Å; C36-H51 VanDerWaalsContact SG-CD2 3.59Å; C36-H51 PolarHBondContact SG-NE2 3.26Å; C36-H51 VanDerWaalsContact SG-NE2 3.41Å | ||
| 37 | P | 85.4 | Confident | 88.3 | Confident | 84 Ų | 84 | 72 Ų | 72 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 0.8 | -175.4 | 34.5 | -37.8 | 0 | 0 | 0 | 113.9 | ||
| 38 | D | 83.8 | Confident | 88.3 | Confident | 69 Ų | 69 | 69 Ų | 69 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -18.6 | 179.3 | -50.8 | -63.6 | 0 | 0 | 0 | 112.1 | C36 R52 H56 | C36-D38 PolarHBondContact O-N 3.47Å; C36-D38 VanDerWaalsContact O-N 3.17Å; D38-R52 IonicContact OD1-NH1 3.91Å; D38-R52 IonicContact OD2-CZ 3.19Å; D38-R52 IonicContact OD2-NE 3.63Å; D38-R52 IonicContact OD2-NH1 3.99Å; D38-R52 PolarHBondContact OD2-NH1 2.88Å; D38-H56 HydrophobicContact CB-CB 4.46Å; D38-H56 WeakPolarHBondContact CB-CE1 3.22Å; D38-H56 VanDerWaalsContact CB-ND1 3.28Å; D38-H56 WeakPolarHBondContact CB-ND1 3.44Å; D38-H56 PolarHBondContact O-CE1 3.03Å |
| 39 | C | 83.7 | Confident | 88.3 | Confident | 52 Ų | 52 | 68 Ų | 68 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.7 | 0.3 | 178.9 | 60 | 0 | 0 | 0 | 0 | 115.6 | C36 E41 H51 H56 | C36-C39 VanDerWaalsContact CB-SG 3.57Å; C36-C39 PolarHBondContact O-N 3.42Å; C39-E41 PolarHBondContact O-N 2.91Å; C39-E41 VanDerWaalsContact O-N 3.11Å; C39-E41 VanDerWaalsContact SG-CB 3.56Å; C39-H51 PolarHBondContact SG-NE2 3.11Å; C39-H56 PolarHBondContact SG-NE2 3.41Å |
| 40 | D | 84.2 | Confident | 88.4 | Confident | 115 Ų | 115 | 72.7 Ų | 72.7 | 62% | 0.615 | 38% | 0.377 | S | S | * | . | trans | 56.8 | 15.4 | -172.9 | -64.7 | -51.9 | 0 | 0 | 0 | 116.1 | V35 C36 | V35-D40 HydrophobicContact CG1-CB 4.16Å; C36-D40 WeakPolarHBondContact O-CA 3.35Å; C36-D40 PolarHBondContact O-N 3.31Å | ||
| 41 | E | 85.4 | Confident | 88.6 | Confident | 110 Ų | 110 | 69 Ų | 69 | 51% | 0.514 | 36% | 0.361 | S | S | . | . | trans | -72.6 | 140.8 | 176 | -162.1 | -171.9 | 152.8 | 0 | 0 | 112.4 | V35 C36 C39 V43 H51 | V35-E41 CarbonylContact C-O 3.37Å; V35-E41 WeakPolarHBondContact CA-O 3.27Å; C36-E41 PolarHBondContact N-O 3.46Å; C39-E41 PolarHBondContact O-N 2.91Å; C39-E41 VanDerWaalsContact O-N 3.11Å; C39-E41 VanDerWaalsContact SG-CB 3.56Å; E41-V43 HydrophobicContact CB-CG2 4.2Å; E41-V43 HydrophobicContact CG-CG2 4.3Å; E41-V43 PolarHBondContact O-N 2.69Å; E41-H51 IonicContact OE2-CE1 2.83Å; E41-H51 PolarHBondContact OE2-CE1 3.23Å; E41-H51 VanDerWaalsContact OE2-CE1 3.25Å; E41-H51 IonicContact OE2-ND1 3.57Å | ||
| 42 | A | 89.3 | Confident | 88.6 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 26% | 0.256 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 86 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T12 C13 | T12-A42 WeakPolarHBondContact O-CB 3.42Å; C13-A42 HydrophobicContact CB-CB 4.41Å |
| 43 | V | 89.9 | Confident | 88.6 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 5% | 0.048 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 143.9 | -173.5 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | S34 C36 E41 K45 Q47 L48 H51 | S34-V43 PolarHBondContact N-O 3.27Å; S34-V43 PolarHBondContact O-N 3.17Å; S34-V43 PolarHBondContact OG-O 3.38Å; S34-V43 VanDerWaalsContact OG-O 3.13Å; C36-V43 HydrophobicContact CB-CG2 4.39Å; E41-V43 HydrophobicContact CB-CG2 4.2Å; E41-V43 HydrophobicContact CG-CG2 4.3Å; E41-V43 PolarHBondContact O-N 2.69Å; V43-K45 PolarHBondContact O-N 3.12Å; V43-Q47 HydrophobicContact CG1-CB 4.18Å; V43-L48 HydrophobicContact CB-CD1 4.26Å; V43-H51 HydrophobicContact CG1-CB 3.82Å; V43-H51 HydrophobicContact CG2-CB 4.3Å |
| 44 | P | 90.8 | Very high | 88.5 | Confident | 37 Ų | 37 | 69 Ų | 69 | 24% | 0.24 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 137.1 | 169.2 | -23.4 | 33.9 | 0 | 0 | 0 | 112.2 | F32 L33 D46 Q47 L48 | F32-P44 CarbonylContact O-C 3.59Å; F32-P44 WeakPolarHBondContact O-CA 3.4Å; L33-P44 HydrophobicContact CD2-CB 4.34Å; L33-P44 HydrophobicContact CD2-CG 3.99Å; P44-D46 VanDerWaalsContact CB-OD1 3.29Å; P44-D46 WeakPolarHBondContact CB-OD1 3.45Å; P44-D46 PolarHBondContact O-N 3.43Å; P44-Q47 HydrophobicContact CB-CB 4.27Å; P44-Q47 CarbonylContact O-C 3.45Å; P44-Q47 WeakPolarHBondContact O-CA 3.23Å; P44-Q47 PolarHBondContact O-N 3.14Å; P44-L48 PolarHBondContact O-N 3.47Å |
| 45 | K | 90.7 | Very high | 88.2 | Confident | 102 Ų | 102 | 71.5 Ų | 71.5 | 44% | 0.443 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.6 | -174.9 | -75.7 | -178.8 | -170.8 | 172 | 0 | 113.9 | K30 R31 F32 L33 S34 V43 Q47 | K30-K45 PolarHBondContact O-NZ 3.09Å; R31-K45 WeakPolarHBondContact O-CD 3.45Å; R31-K45 WeakPolarHBondContact O-CE 3.5Å; R31-K45 PolarHBondContact O-NZ 3.47Å; R31-K45 VanDerWaalsContact O-NZ 3.11Å; F32-K45 PolarHBondContact O-N 2.79Å; L33-K45 WeakPolarHBondContact O-CE 3.44Å; S34-K45 WeakPolarHBondContact OG-CG 3.25Å; V43-K45 PolarHBondContact O-N 3.12Å; K45-Q47 VanDerWaalsContact C-N 3.29Å |
| 46 | D | 90.7 | Very high | 88 | Confident | 117 Ų | 117 | 69.9 Ų | 69.9 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -30.1 | 173.3 | 51.9 | -68.6 | 0 | 0 | 0 | 112.6 | P44 | P44-D46 VanDerWaalsContact CB-OD1 3.29Å; P44-D46 WeakPolarHBondContact CB-OD1 3.45Å; P44-D46 PolarHBondContact O-N 3.43Å |
| 47 | Q | 89.8 | Confident | 88.1 | Confident | 89 Ų | 89 | 72.4 Ų | 72.4 | 42% | 0.416 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -11.3 | -178.6 | -73.9 | 154.6 | 59.1 | 0 | 0 | 113.7 | V43 P44 K45 S49 Q50 H51 | V43-Q47 HydrophobicContact CG1-CB 4.18Å; P44-Q47 HydrophobicContact CB-CB 4.27Å; P44-Q47 CarbonylContact O-C 3.45Å; P44-Q47 WeakPolarHBondContact O-CA 3.23Å; P44-Q47 PolarHBondContact O-N 3.14Å; K45-Q47 VanDerWaalsContact C-N 3.29Å; Q47-S49 PolarHBondContact O-N 2.73Å; Q47-Q50 CarbonylContact O-C 3.6Å; Q47-Q50 WeakPolarHBondContact O-CA 3.46Å; Q47-Q50 WeakPolarHBondContact O-CB 3Å; Q47-Q50 PolarHBondContact O-N 3.47Å; Q47-H51 PolarHBondContact O-N 3.44Å |
| 48 | L | 90.2 | Very high | 88.2 | Confident | 32 Ų | 32 | 75.5 Ų | 75.5 | 17% | 0.168 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -54 | -40.2 | -178 | -179.8 | 66.7 | 0 | 0 | 0 | 112.8 | C36 V43 P44 R52 | C36-L48 HydrophobicContact CB-CD1 3.83Å; V43-L48 HydrophobicContact CB-CD1 4.26Å; P44-L48 PolarHBondContact O-N 3.47Å; L48-R52 WeakPolarHBondContact O-CG 3.17Å; L48-R52 PolarHBondContact O-N 2.81Å |
| 49 | S | 89.6 | Confident | 88.5 | Confident | 94 Ų | 94 | 73.8 Ų | 73.8 | 66% | 0.657 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | Q47 R52 E53 | Q47-S49 PolarHBondContact O-N 2.73Å; S49-R52 PolarHBondContact O-N 3.11Å; S49-E53 PolarHBondContact O-N 3Å |
| 50 | Q | 91.4 | Very high | 88.8 | Confident | 102 Ų | 102 | 77.9 Ų | 77.9 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.4 | -47.1 | 178 | -179.7 | 178.2 | 2 | 0 | 0 | 111 | Q47 R52 E53 E54 | Q47-Q50 CarbonylContact O-C 3.6Å; Q47-Q50 WeakPolarHBondContact O-CA 3.46Å; Q47-Q50 WeakPolarHBondContact O-CB 3Å; Q47-Q50 PolarHBondContact O-N 3.47Å; Q50-R52 VanDerWaalsContact C-N 3.27Å; Q50-R52 PolarHBondContact O-N 3.34Å; Q50-E53 CarbonylContact O-C 3.55Å; Q50-E53 PolarHBondContact O-N 3.45Å; Q50-E54 HydrophobicContact CG-CG 4.22Å; Q50-E54 VanDerWaalsContact CG-OE1 3.3Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.43Å; Q50-E54 PolarHBondContact NE2-OE1 2.68Å; Q50-E54 WeakPolarHBondContact O-CB 3.41Å; Q50-E54 WeakPolarHBondContact O-CG 3.36Å; Q50-E54 PolarHBondContact O-N 3.4Å |
| 51 | H | 90.5 | Very high | 89.1 | Confident | 20 Ų | 20 | 72.4 Ų | 72.4 | 9% | 0.093 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.7 | -42.5 | 174.4 | 163.8 | 97.3 | 0 | 0 | 0 | 111.6 | C36 C39 E41 V43 Q47 E54 Q55 H56 | C36-H51 VanDerWaalsContact SG-CD2 3.59Å; C36-H51 PolarHBondContact SG-NE2 3.26Å; C36-H51 VanDerWaalsContact SG-NE2 3.41Å; C39-H51 PolarHBondContact SG-NE2 3.11Å; E41-H51 IonicContact OE2-CE1 2.83Å; E41-H51 PolarHBondContact OE2-CE1 3.23Å; E41-H51 VanDerWaalsContact OE2-CE1 3.25Å; E41-H51 IonicContact OE2-ND1 3.57Å; V43-H51 HydrophobicContact CG1-CB 3.82Å; V43-H51 HydrophobicContact CG2-CB 4.3Å; Q47-H51 PolarHBondContact O-N 3.44Å; H51-E54 PolarHBondContact O-N 2.81Å; H51-Q55 VanDerWaalsContact O-CB 3.31Å; H51-Q55 WeakPolarHBondContact O-CB 3.22Å; H51-Q55 WeakPolarHBondContact O-CG 3.43Å; H51-Q55 PolarHBondContact O-N 2.86Å; H51-H56 AromaticContact NE2-CD2 3.64Å; H51-H56 AromaticContact NE2-NE2 3.49Å; H51-H56 PolarHBondContact NE2-NE2 3.29Å |
| 52 | R | 88.2 | Confident | 89.2 | Confident | 94 Ų | 94 | 71 Ų | 71 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 174.7 | -74.2 | -178.7 | -173 | -125.3 | 27.2 | 113 | D38 L48 S49 Q50 E54 H56 T57 | D38-R52 IonicContact OD1-NH1 3.91Å; D38-R52 IonicContact OD2-CZ 3.19Å; D38-R52 IonicContact OD2-NE 3.63Å; D38-R52 IonicContact OD2-NH1 3.99Å; D38-R52 PolarHBondContact OD2-NH1 2.88Å; L48-R52 WeakPolarHBondContact O-CG 3.17Å; L48-R52 PolarHBondContact O-N 2.81Å; S49-R52 PolarHBondContact O-N 3.11Å; Q50-R52 VanDerWaalsContact C-N 3.27Å; Q50-R52 PolarHBondContact O-N 3.34Å; R52-E54 VanDerWaalsContact C-N 3.28Å; R52-E54 PolarHBondContact O-N 3.41Å; R52-H56 CarbonylContact O-C 3.56Å; R52-H56 VanDerWaalsContact O-CA 3.29Å; R52-H56 WeakPolarHBondContact O-CA 3.33Å; R52-H56 WeakPolarHBondContact O-CB 3.46Å; R52-H56 PolarHBondContact O-N 3.44Å; R52-T57 PolarHBondContact O-N 3.37Å; R52-T57 VanDerWaalsContact O-N 3.13Å |
| 53 | E | 88.5 | Confident | 89 | Confident | 140 Ų | 140 | 75.9 Ų | 75.9 | 65% | 0.654 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67.2 | -31.5 | 175.8 | -173.4 | 169.5 | -168.1 | 0 | 0 | 112.1 | S49 Q50 T57 R70 | S49-E53 PolarHBondContact O-N 3Å; Q50-E53 CarbonylContact O-C 3.55Å; Q50-E53 PolarHBondContact O-N 3.45Å; E53-T57 WeakPolarHBondContact CA-OG1 3.27Å; E53-T57 WeakPolarHBondContact O-CB 3.21Å; E53-T57 PolarHBondContact O-OG1 3.09Å; E53-R70 PolarHBondContact O-NH1 3.38Å |
| 54 | E | 87.1 | Confident | 88.9 | Confident | 83 Ų | 83 | 76.6 Ų | 76.6 | 39% | 0.388 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -83.2 | -43.1 | -178.8 | -73.8 | 179.7 | -175.2 | 0 | 0 | 113.3 | Q50 H51 R52 R70 | Q50-E54 HydrophobicContact CG-CG 4.22Å; Q50-E54 VanDerWaalsContact CG-OE1 3.3Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.43Å; Q50-E54 PolarHBondContact NE2-OE1 2.68Å; Q50-E54 WeakPolarHBondContact O-CB 3.41Å; Q50-E54 WeakPolarHBondContact O-CG 3.36Å; Q50-E54 PolarHBondContact O-N 3.4Å; H51-E54 PolarHBondContact O-N 2.81Å; R52-E54 VanDerWaalsContact C-N 3.28Å; R52-E54 PolarHBondContact O-N 3.41Å; E54-R70 VanDerWaalsContact CA-NH1 3.34Å; E54-R70 WeakPolarHBondContact O-CB 3.29Å; E54-R70 VanDerWaalsContact O-CD 3.22Å; E54-R70 WeakPolarHBondContact O-CD 3.14Å; E54-R70 PolarHBondContact O-NH1 3.43Å |
| 55 | Q | 83.1 | Confident | 88.7 | Confident | 72 Ų | 72 | 79.9 Ų | 79.9 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -100.6 | -41.2 | -174 | -56.2 | -53.4 | -32.3 | 0 | 0 | 112.6 | H51 R70 C71 | H51-Q55 VanDerWaalsContact O-CB 3.31Å; H51-Q55 WeakPolarHBondContact O-CB 3.22Å; H51-Q55 WeakPolarHBondContact O-CG 3.43Å; H51-Q55 PolarHBondContact O-N 2.86Å; Q55-R70 WeakPolarHBondContact O-CA 3.47Å; Q55-R70 WeakPolarHBondContact O-CB 3.41Å; Q55-R70 PolarHBondContact O-N 3.02Å; Q55-C71 HydrophobicContact CB-CB 4.18Å; Q55-C71 PolarHBondContact O-N 3.15Å |
| 56 | H | 87.5 | Confident | 88.4 | Confident | 17 Ų | 17 | 80.1 Ų | 80.1 | 8% | 0.079 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -98.2 | -0.8 | -171.9 | -65.6 | -72.6 | 0 | 0 | 0 | 114.7 | D38 C39 H51 R52 K58 E69 | D38-H56 HydrophobicContact CB-CB 4.46Å; D38-H56 WeakPolarHBondContact CB-CE1 3.22Å; D38-H56 VanDerWaalsContact CB-ND1 3.28Å; D38-H56 WeakPolarHBondContact CB-ND1 3.44Å; D38-H56 PolarHBondContact O-CE1 3.03Å; C39-H56 PolarHBondContact SG-NE2 3.41Å; H51-H56 AromaticContact NE2-CD2 3.64Å; H51-H56 AromaticContact NE2-NE2 3.49Å; H51-H56 PolarHBondContact NE2-NE2 3.29Å; R52-H56 CarbonylContact O-C 3.56Å; R52-H56 VanDerWaalsContact O-CA 3.29Å; R52-H56 WeakPolarHBondContact O-CA 3.33Å; R52-H56 WeakPolarHBondContact O-CB 3.46Å; R52-H56 PolarHBondContact O-N 3.44Å; H56-K58 PolarHBondContact O-N 3.46Å; H56-E69 IonicContact CE1-OE1 2.66Å; H56-E69 IonicContact CG-OE1 3.64Å; H56-E69 IonicContact ND1-OE1 3.25Å; H56-E69 PolarHBondContact ND1-OE1 3.42Å |
| 57 | T | 89.7 | Confident | 88.3 | Confident | 53 Ų | 53 | 82.3 Ų | 82.3 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -63.7 | 121.8 | 170.5 | -72 | 0 | 0 | 0 | 0 | 110.5 | R52 E53 V59 R70 | R52-T57 PolarHBondContact O-N 3.37Å; R52-T57 VanDerWaalsContact O-N 3.13Å; E53-T57 WeakPolarHBondContact CA-OG1 3.27Å; E53-T57 WeakPolarHBondContact O-CB 3.21Å; E53-T57 PolarHBondContact O-OG1 3.09Å; T57-V59 HydrophobicContact CG2-CG1 4.45Å; T57-V59 PolarHBondContact O-N 3.44Å; T57-R70 PolarHBondContact O-N 3.49Å |
| 58 | K | 89.2 | Confident | 88.2 | Confident | 148 Ų | 148 | 79.2 Ų | 79.2 | 64% | 0.643 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 97 | 179.3 | -66.8 | -179.4 | -178.2 | 180 | 0 | 111.2 | H56 I68 E69 | H56-K58 PolarHBondContact O-N 3.46Å; K58-I68 CarbonylContact C-O 3.54Å; K58-I68 VanDerWaalsContact CA-O 3.29Å; K58-I68 WeakPolarHBondContact CA-O 3.41Å; K58-E69 HydrophobicContact CG-CG 4.03Å |
| 59 | V | 89.1 | Confident | 88 | Confident | 34 Ų | 34 | 79.6 Ų | 79.6 | 21% | 0.206 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 167.6 | 173 | -69.4 | 0 | 0 | 0 | 0 | 110.8 | T57 K67 I68 R70 L73 | T57-V59 HydrophobicContact CG2-CG1 4.45Å; T57-V59 PolarHBondContact O-N 3.44Å; V59-K67 CarbonylContact O-C 3.59Å; V59-K67 VanDerWaalsContact O-CA 3.32Å; V59-K67 WeakPolarHBondContact O-CA 2.96Å; V59-I68 WeakPolarHBondContact CG2-O 3.36Å; V59-I68 PolarHBondContact N-O 2.8Å; V59-I68 PolarHBondContact O-N 3.23Å; V59-I68 VanDerWaalsContact O-O 3.09Å; V59-R70 HydrophobicContact CG2-CB 4.29Å; V59-L73 HydrophobicContact CG2-CB 4.35Å; V59-L73 HydrophobicContact CG2-CD2 3.84Å; V59-L73 HydrophobicContact CG2-CG 4.48Å |
| 60 | K | 89.5 | Confident | 88 | Confident | 138 Ų | 138 | 80 Ų | 80 | 60% | 0.6 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131.9 | 174 | -67.1 | -178.3 | -177.5 | 178.2 | 0 | 109.5 | S62 K66 | K60-S62 PolarHBondContact O-N 2.72Å; K60-K66 WeakPolarHBondContact CA-O 3.45Å |
| 61 | C | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 135.8 | 169.5 | 168.2 | 0 | 0 | 0 | 0 | 110.5 | K63 C64 N65 K66 I68 L73 E77 | C61-K63 VanDerWaalsContact C-N 3.28Å; C61-K63 PolarHBondContact O-N 3.07Å; C61-K63 PolarHBondContact SG-N 3Å; C61-C64 VanDerWaalsContact CB-SG 3.57Å; C61-C64 PolarHBondContact SG-N 2.75Å; C61-N65 VanDerWaalsContact O-CA 3.29Å; C61-N65 WeakPolarHBondContact O-CA 3.22Å; C61-N65 PolarHBondContact O-N 2.75Å; C61-K66 PolarHBondContact N-O 3.42Å; C61-I68 HydrophobicContact CB-CD1 4.34Å; C61-L73 HydrophobicContact CB-CD1 4.02Å; C61-E77 PolarHBondContact SG-OE1 3.01Å |
| 62 | S | 87.4 | Confident | 87.2 | Confident | 81 Ų | 81 | 80 Ų | 80 | 57% | 0.566 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -33.3 | -175.8 | 65.3 | 0 | 0 | 0 | 0 | 113 | K60 E77 | K60-S62 PolarHBondContact O-N 2.72Å; S62-E77 WeakPolarHBondContact CB-OE1 3.39Å; S62-E77 PolarHBondContact N-OE1 3.44Å; S62-E77 PolarHBondContact OG-OE1 2.96Å |
| 63 | K | 85.8 | Confident | 87.2 | Confident | 132 Ų | 132 | 77.2 Ų | 77.2 | 57% | 0.574 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -57.1 | -177.2 | -50.1 | -66.1 | -176.8 | 167.1 | 0 | 111.9 | C61 E83 | C61-K63 VanDerWaalsContact C-N 3.28Å; C61-K63 PolarHBondContact O-N 3.07Å; C61-K63 PolarHBondContact SG-N 3Å; K63-E83 HydrophobicContact CB-CB 3.67Å; K63-E83 HydrophobicContact CB-CG 4.5Å |
| 64 | C | 86.6 | Confident | 87 | Confident | 23 Ų | 23 | 78.2 Ų | 78.2 | 16% | 0.155 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -3.7 | -170.4 | 77.7 | 0 | 0 | 0 | 0 | 115.1 | C61 K66 H76 P82 E83 | C61-C64 VanDerWaalsContact CB-SG 3.57Å; C61-C64 PolarHBondContact SG-N 2.75Å; C64-K66 HydrophobicContact CB-CG 4.48Å; C64-K66 PolarHBondContact O-N 3.38Å; C64-K66 VanDerWaalsContact SG-CB 3.6Å; C64-K66 VanDerWaalsContact SG-CG 3.53Å; C64-H76 PolarHBondContact SG-NE2 2.82Å; C64-P82 HydrophobicContact CB-CG 4.05Å; C64-E83 HydrophobicContact CB-CB 4.27Å; C64-E83 HydrophobicContact CB-CG 3.62Å |
| 65 | N | 87 | Confident | 86.9 | Confident | 107 Ų | 107 | 79.2 Ų | 79.2 | 57% | 0.572 | 38% | 0.384 | S | S | * | . | trans | 57.6 | 7.2 | -178.8 | -74.4 | -89.1 | 0 | 0 | 0 | 116.4 | C61 | C61-N65 VanDerWaalsContact O-CA 3.29Å; C61-N65 WeakPolarHBondContact O-CA 3.22Å; C61-N65 PolarHBondContact O-N 2.75Å | ||
| 66 | K | 84.4 | Confident | 87.2 | Confident | 107 Ų | 107 | 76 Ų | 76 | 47% | 0.465 | 37% | 0.369 | S | S | . | . | trans | -63 | 148.1 | 171.8 | -67.7 | 179 | -178.4 | 179.9 | 0 | 110.5 | K60 C61 C64 I68 | K60-K66 WeakPolarHBondContact CA-O 3.45Å; C61-K66 PolarHBondContact N-O 3.42Å; C64-K66 HydrophobicContact CB-CG 4.48Å; C64-K66 PolarHBondContact O-N 3.38Å; C64-K66 VanDerWaalsContact SG-CB 3.6Å; C64-K66 VanDerWaalsContact SG-CG 3.53Å; K66-I68 HydrophobicContact CB-CD1 4.2Å; K66-I68 HydrophobicContact CB-CG1 4.2Å | ||
| 67 | K | 88.4 | Confident | 87.1 | Confident | 163 Ų | 163 | 78.4 Ų | 78.4 | 71% | 0.709 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 120.6 | 175.3 | -65.8 | -178.4 | -177.5 | 178.9 | 0 | 109.8 | V59 | V59-K67 CarbonylContact O-C 3.59Å; V59-K67 VanDerWaalsContact O-CA 3.32Å; V59-K67 WeakPolarHBondContact O-CA 2.96Å |
| 68 | I | 87.8 | Confident | 86.9 | Confident | 24 Ų | 24 | 78.1 Ų | 78.1 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 146.7 | -171.5 | -50.2 | -175.5 | 0 | 0 | 0 | 107.6 | K58 V59 C61 K66 H72 H76 | K58-I68 CarbonylContact C-O 3.54Å; K58-I68 VanDerWaalsContact CA-O 3.29Å; K58-I68 WeakPolarHBondContact CA-O 3.41Å; V59-I68 WeakPolarHBondContact CG2-O 3.36Å; V59-I68 PolarHBondContact N-O 2.8Å; V59-I68 PolarHBondContact O-N 3.23Å; V59-I68 VanDerWaalsContact O-O 3.09Å; C61-I68 HydrophobicContact CB-CD1 4.34Å; K66-I68 HydrophobicContact CB-CD1 4.2Å; K66-I68 HydrophobicContact CB-CG1 4.2Å; I68-H72 HydrophobicContact CG2-CB 3.93Å; I68-H76 HydrophobicContact CD1-CB 3.7Å; I68-H76 WeakPolarHBondContact CD1-CD2 3.46Å; I68-H76 VanDerWaalsContact CD1-ND1 3.29Å; I68-H76 WeakPolarHBondContact CD1-ND1 3.19Å; I68-H76 WeakPolarHBondContact CD1-NE2 3.19Å; I68-H76 HydrophobicContact CG2-CB 4.39Å |
| 69 | E | 87.1 | Confident | 86.7 | Confident | 40 Ų | 40 | 77.7 Ų | 77.7 | 19% | 0.187 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 151.6 | 173.8 | -65.6 | 174.2 | 114.7 | 0 | 0 | 110.6 | H56 K58 C71 H72 L73 | H56-E69 IonicContact CE1-OE1 2.66Å; H56-E69 IonicContact CG-OE1 3.64Å; H56-E69 IonicContact ND1-OE1 3.25Å; H56-E69 PolarHBondContact ND1-OE1 3.42Å; K58-E69 HydrophobicContact CG-CG 4.03Å; E69-C71 VanDerWaalsContact C-N 3.33Å; E69-C71 PolarHBondContact O-N 3.27Å; E69-H72 PolarHBondContact O-N 2.85Å; E69-H72 IonicContact OE2-CE1 2.67Å; E69-H72 IonicContact OE2-ND1 2.67Å; E69-H72 PolarHBondContact OE2-ND1 2.88Å; E69-L73 PolarHBondContact O-N 3.45Å; E69-L73 VanDerWaalsContact O-N 3.12Å |
| 70 | R | 88.1 | Confident | 86.4 | Confident | 103 Ų | 103 | 82.5 Ų | 82.5 | 39% | 0.389 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -64.8 | -38.5 | -174.9 | -167 | 174.8 | -58.8 | 135 | -2.3 | 111.7 | E53 E54 Q55 T57 V59 H72 L73 | E53-R70 PolarHBondContact O-NH1 3.38Å; E54-R70 VanDerWaalsContact CA-NH1 3.34Å; E54-R70 WeakPolarHBondContact O-CB 3.29Å; E54-R70 VanDerWaalsContact O-CD 3.22Å; E54-R70 WeakPolarHBondContact O-CD 3.14Å; E54-R70 PolarHBondContact O-NH1 3.43Å; Q55-R70 WeakPolarHBondContact O-CA 3.47Å; Q55-R70 WeakPolarHBondContact O-CB 3.41Å; Q55-R70 PolarHBondContact O-N 3.02Å; T57-R70 PolarHBondContact O-N 3.49Å; V59-R70 HydrophobicContact CG2-CB 4.29Å; R70-H72 VanDerWaalsContact C-N 3.25Å; R70-H72 PolarHBondContact O-N 3.49Å; R70-L73 WeakPolarHBondContact O-CB 3.39Å; R70-L73 PolarHBondContact O-N 3.04Å |
| 71 | C | 83.9 | Confident | 86.4 | Confident | 38 Ų | 38 | 76 Ų | 76 | 26% | 0.257 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -33.9 | 175.1 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | Q55 E69 | Q55-C71 HydrophobicContact CB-CB 4.18Å; Q55-C71 PolarHBondContact O-N 3.15Å; E69-C71 VanDerWaalsContact C-N 3.33Å; E69-C71 PolarHBondContact O-N 3.27Å |
| 72 | H | 82.3 | Confident | 86.2 | Confident | 83 Ų | 83 | 77.3 Ų | 77.3 | 38% | 0.384 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 2 | -179.7 | -58 | 131.7 | 0 | 0 | 0 | 113.2 | I68 E69 R70 H76 | I68-H72 HydrophobicContact CG2-CB 3.93Å; E69-H72 PolarHBondContact O-N 2.85Å; E69-H72 IonicContact OE2-CE1 2.67Å; E69-H72 IonicContact OE2-ND1 2.67Å; E69-H72 PolarHBondContact OE2-ND1 2.88Å; R70-H72 VanDerWaalsContact C-N 3.25Å; R70-H72 PolarHBondContact O-N 3.49Å; H72-H76 WeakPolarHBondContact O-CB 3.45Å; H72-H76 PolarHBondContact O-N 3.11Å |
| 73 | L | 87.3 | Confident | 86.3 | Confident | 35 Ų | 35 | 76.2 Ų | 76.2 | 18% | 0.183 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.7 | -40.8 | -175.7 | 179.3 | 64.5 | 0 | 0 | 0 | 112.1 | V59 C61 E69 R70 H76 E77 | V59-L73 HydrophobicContact CG2-CB 4.35Å; V59-L73 HydrophobicContact CG2-CD2 3.84Å; V59-L73 HydrophobicContact CG2-CG 4.48Å; C61-L73 HydrophobicContact CB-CD1 4.02Å; E69-L73 PolarHBondContact O-N 3.45Å; E69-L73 VanDerWaalsContact O-N 3.12Å; R70-L73 WeakPolarHBondContact O-CB 3.39Å; R70-L73 PolarHBondContact O-N 3.04Å; L73-H76 PolarHBondContact O-N 3.15Å; L73-E77 HydrophobicContact CD1-CG 4.1Å; L73-E77 WeakPolarHBondContact O-CG 3.32Å; L73-E77 PolarHBondContact O-N 3.06Å |
| 74 | E | 84.8 | Confident | 86.6 | Confident | 162 Ų | 162 | 71.6 Ų | 71.6 | 76% | 0.757 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.3 | -49.7 | -179.7 | -66.4 | -176.3 | 82.9 | 0 | 0 | 110.7 | H76 E77 A78 | E74-H76 VanDerWaalsContact C-N 3.26Å; E74-H76 PolarHBondContact O-N 2.88Å; E74-E77 PolarHBondContact O-N 3.45Å; E74-A78 VanDerWaalsContact O-CB 3.32Å; E74-A78 WeakPolarHBondContact O-CB 3.32Å; E74-A78 PolarHBondContact O-N 3.38Å |
| 75 | D | 86.1 | Confident | 86.7 | Confident | 103 Ų | 103 | 74.1 Ų | 74.1 | 55% | 0.551 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.3 | -38.5 | 173.6 | -64.5 | -36.3 | 0 | 0 | 0 | 111.9 | E79 | D75-E79 PolarHBondContact O-N 3.14Å |
| 76 | H | 88.2 | Confident | 86.9 | Confident | 5 Ų | 5 | 72.7 Ų | 72.7 | 2% | 0.023 | 35% | 0.351 | C | S | . | . | I | π-helix | trans | -64.2 | -50.7 | 175.3 | -179.4 | 78.6 | 0 | 0 | 0 | 112.2 | C64 I68 H72 L73 E74 A78 E80 C81 | C64-H76 PolarHBondContact SG-NE2 2.82Å; I68-H76 HydrophobicContact CD1-CB 3.7Å; I68-H76 WeakPolarHBondContact CD1-CD2 3.46Å; I68-H76 VanDerWaalsContact CD1-ND1 3.29Å; I68-H76 WeakPolarHBondContact CD1-ND1 3.19Å; I68-H76 WeakPolarHBondContact CD1-NE2 3.19Å; I68-H76 HydrophobicContact CG2-CB 4.39Å; H72-H76 WeakPolarHBondContact O-CB 3.45Å; H72-H76 PolarHBondContact O-N 3.11Å; L73-H76 PolarHBondContact O-N 3.15Å; E74-H76 VanDerWaalsContact C-N 3.26Å; E74-H76 PolarHBondContact O-N 2.88Å; H76-A78 PolarHBondContact O-N 3.39Å; H76-E80 IonicContact CG-OE2 3.71Å; H76-E80 WeakPolarHBondContact ND1-CB 3.2Å; H76-E80 IonicContact ND1-OE2 2.63Å; H76-E80 PolarHBondContact ND1-OE2 3.02Å; H76-E80 CarbonylContact O-C 3.57Å; H76-E80 PolarHBondContact O-N 3.1Å; H76-C81 WeakPolarHBondContact NE2-CA 3.33Å; H76-C81 WeakPolarHBondContact O-CB 3.29Å; H76-C81 PolarHBondContact O-N 3.44Å |
| 77 | E | 86 | Confident | 87.1 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -65.2 | -31.8 | -178.8 | -69.9 | -166.7 | 152.5 | 0 | 0 | 111.5 | C61 S62 L73 E74 | C61-E77 PolarHBondContact SG-OE1 3.01Å; S62-E77 WeakPolarHBondContact CB-OE1 3.39Å; S62-E77 PolarHBondContact N-OE1 3.44Å; S62-E77 PolarHBondContact OG-OE1 2.96Å; L73-E77 HydrophobicContact CD1-CG 4.1Å; L73-E77 WeakPolarHBondContact O-CG 3.32Å; L73-E77 PolarHBondContact O-N 3.06Å; E74-E77 PolarHBondContact O-N 3.45Å |
| 78 | A | 85.3 | Confident | 87.3 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -73 | -51.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | E74 H76 R84 | E74-A78 VanDerWaalsContact O-CB 3.32Å; E74-A78 WeakPolarHBondContact O-CB 3.32Å; E74-A78 PolarHBondContact O-N 3.38Å; H76-A78 PolarHBondContact O-N 3.39Å; A78-R84 WeakPolarHBondContact O-CD 3.42Å; A78-R84 PolarHBondContact O-NE 3.37Å; A78-R84 PolarHBondContact O-NH1 2.91Å |
| 79 | E | 84.3 | Confident | 87.3 | Confident | 138 Ų | 138 | 70 Ų | 70 | 65% | 0.645 | 35% | 0.352 | S | S | * | . | I | π-helix | trans | -118.5 | -32.9 | -164.1 | -67.5 | -57.3 | 121.6 | 0 | 0 | 114.9 | D75 R84 | D75-E79 PolarHBondContact O-N 3.14Å; E79-R84 VanDerWaalsContact O-CZ 3.27Å; E79-R84 PolarHBondContact O-NH1 2.87Å; E79-R84 PolarHBondContact O-NH2 3.43Å |
| 80 | E | 82.6 | Confident | 87.2 | Confident | 135 Ų | 135 | 71.1 Ų | 71.1 | 63% | 0.631 | 36% | 0.356 | S | S | * | . | I | π-helix | trans | -106.1 | -13.6 | -172.4 | -58.2 | -171.6 | 121.7 | 0 | 0 | 115.9 | H76 P82 | H76-E80 IonicContact CG-OE2 3.71Å; H76-E80 WeakPolarHBondContact ND1-CB 3.2Å; H76-E80 IonicContact ND1-OE2 2.63Å; H76-E80 PolarHBondContact ND1-OE2 3.02Å; H76-E80 CarbonylContact O-C 3.57Å; H76-E80 PolarHBondContact O-N 3.1Å; E80-P82 WeakPolarHBondContact O-CD 3.36Å |
| 81 | C | 90.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | trans | -69.5 | 120 | -170.5 | -175 | 0 | 0 | 0 | 0 | 111.5 | H76 E83 R84 | H76-C81 WeakPolarHBondContact NE2-CA 3.33Å; H76-C81 WeakPolarHBondContact O-CB 3.29Å; H76-C81 PolarHBondContact O-N 3.44Å; C81-E83 PolarHBondContact O-N 2.81Å; C81-E83 VanDerWaalsContact O-N 3.15Å; C81-R84 HydrophobicContact CB-CB 4.26Å; C81-R84 VanDerWaalsContact O-CB 3.22Å; C81-R84 WeakPolarHBondContact O-CB 3.49Å; C81-R84 PolarHBondContact O-N 3.28Å | ||
| 82 | P | 86.1 | Confident | 87.3 | Confident | 29 Ų | 29 | 73.7 Ų | 73.7 | 19% | 0.188 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -17.2 | -179.8 | 28.9 | -35.9 | 0 | 0 | 0 | 113 | C64 E80 W97 K98 | C64-P82 HydrophobicContact CB-CG 4.05Å; E80-P82 WeakPolarHBondContact O-CD 3.36Å; P82-W97 PolarHBondContact O-N 3.4Å; P82-K98 HydrophobicContact CB-CB 4.18Å; P82-K98 WeakPolarHBondContact O-CB 3.17Å; P82-K98 PolarHBondContact O-N 2.91Å; P82-K98 VanDerWaalsContact O-N 3.11Å |
| 83 | E | 89.4 | Confident | 87.6 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 27% | 0.271 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 7.6 | 175.4 | -52 | -59.3 | 148.5 | 0 | 0 | 112.3 | K63 C64 C81 L85 K98 | K63-E83 HydrophobicContact CB-CB 3.67Å; K63-E83 HydrophobicContact CB-CG 4.5Å; C64-E83 HydrophobicContact CB-CB 4.27Å; C64-E83 HydrophobicContact CB-CG 3.62Å; C81-E83 PolarHBondContact O-N 2.81Å; C81-E83 VanDerWaalsContact O-N 3.15Å; E83-L85 PolarHBondContact O-N 3.22Å; E83-K98 VanDerWaalsContact OE1-CD 3.27Å; E83-K98 WeakPolarHBondContact OE1-CD 3.43Å; E83-K98 IonicContact OE1-NZ 3.34Å; E83-K98 PolarHBondContact OE1-NZ 3.49Å; E83-K98 IonicContact OE2-NZ 2.88Å; E83-K98 PolarHBondContact OE2-NZ 3.16Å |
| 84 | R | 92.2 | Very high | 87.8 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 13% | 0.132 | 40% | 0.399 | C | S | . | . | trans | -59.4 | 131.8 | 168.6 | 171.5 | 164 | 76.1 | -98.5 | 14.3 | 108.5 | A78 E79 C81 Q86 P96 W97 | A78-R84 WeakPolarHBondContact O-CD 3.42Å; A78-R84 PolarHBondContact O-NE 3.37Å; A78-R84 PolarHBondContact O-NH1 2.91Å; E79-R84 VanDerWaalsContact O-CZ 3.27Å; E79-R84 PolarHBondContact O-NH1 2.87Å; E79-R84 PolarHBondContact O-NH2 3.43Å; C81-R84 HydrophobicContact CB-CB 4.26Å; C81-R84 VanDerWaalsContact O-CB 3.22Å; C81-R84 WeakPolarHBondContact O-CB 3.49Å; C81-R84 PolarHBondContact O-N 3.28Å; R84-Q86 HydrophobicContact CG-CG 4.4Å; R84-P96 CarbonylContact O-C 3.56Å; R84-P96 WeakPolarHBondContact O-CA 3.23Å; R84-W97 PolarHBondContact O-N 2.96Å | ||
| 85 | L | 90.2 | Very high | 88.2 | Confident | 76 Ų | 76 | 71.6 Ų | 71.6 | 40% | 0.398 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 137.7 | 171.4 | -63.1 | 178.1 | 0 | 0 | 0 | 109.8 | E83 E94 V95 P96 | E83-L85 PolarHBondContact O-N 3.22Å; L85-E94 HydrophobicContact CB-CB 4.31Å; L85-E94 HydrophobicContact CD1-CB 4.41Å; L85-V95 WeakPolarHBondContact CA-O 3.49Å; L85-P96 HydrophobicContact CD2-CG 4.16Å |
| 86 | Q | 89.8 | Confident | 88.5 | Confident | 77 Ų | 77 | 68 Ų | 68 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 145.1 | 171.7 | -74.5 | -62.9 | -67.7 | 0 | 0 | 109 | R84 V95 W97 L100 | R84-Q86 HydrophobicContact CG-CG 4.4Å; Q86-V95 PolarHBondContact N-O 2.77Å; Q86-V95 PolarHBondContact O-N 3.06Å; Q86-W97 HydrophobicContact CB-CE3 4.15Å; Q86-W97 HydrophobicContact CG-CE3 3.63Å; Q86-W97 HydrophobicContact CG-CZ3 4.05Å; Q86-L100 HydrophobicContact CB-CD2 3.93Å |
| 87 | M | 90.2 | Very high | 88.6 | Confident | 111 Ų | 111 | 73.9 Ų | 73.9 | 55% | 0.547 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 132.6 | -179.8 | -65.1 | 178.5 | 72.8 | 0 | 0 | 110.6 | T89 E92 E94 | M87-T89 PolarHBondContact O-N 2.67Å; M87-E92 HydrophobicContact CE-CB 3.87Å; M87-E92 HydrophobicContact CE-CG 4.4Å; M87-E92 WeakPolarHBondContact CE-O 3.48Å; M87-E94 HydrophobicContact CG-CG 4.13Å |
| 88 | C | 91.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.014 | 38% | 0.378 | C | S | . | . | trans | -67.1 | 128.4 | 169.4 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | F90 E92 L93 H103 | C88-F90 PolarHBondContact O-N 3.15Å; C88-F90 VanDerWaalsContact O-N 3.14Å; C88-F90 PolarHBondContact SG-N 2.67Å; C88-E92 WeakPolarHBondContact O-CA 3.43Å; C88-E92 PolarHBondContact O-N 3.48Å; C88-L93 PolarHBondContact N-O 2.86Å; C88-H103 WeakPolarHBondContact CB-NE2 3.45Å; C88-H103 PolarHBondContact SG-CD2 3.33Å; C88-H103 PolarHBondContact SG-NE2 3.37Å | ||
| 89 | T | 88.1 | Confident | 89 | Confident | 123 Ų | 123 | 77.7 Ų | 77.7 | 76% | 0.755 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.3 | 178.5 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | M87 | M87-T89 PolarHBondContact O-N 2.67Š|
| 90 | F | 85.8 | Confident | 89.4 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 28% | 0.281 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -27.2 | -174.7 | -57.3 | -54.6 | 0 | 0 | 0 | 114.1 | C88 S104 C107 L123 | C88-F90 PolarHBondContact O-N 3.15Å; C88-F90 VanDerWaalsContact O-N 3.14Å; C88-F90 PolarHBondContact SG-N 2.67Å; F90-S104 VanDerWaalsContact CE2-O 3.31Å; F90-S104 WeakPolarHBondContact CE2-O 3.46Å; F90-C107 HydrophobicContact CB-CB 4.45Å; F90-C107 HydrophobicContact CD2-CB 4.44Å; F90-L123 HydrophobicContact CB-CB 3.98Å; F90-L123 HydrophobicContact CB-CD1 4.18Å; F90-L123 HydrophobicContact CD1-CB 4.27Å; F90-L123 HydrophobicContact CG-CB 4.34Å |
| 91 | C | 85.2 | Confident | 89.8 | Confident | 46 Ų | 46 | 73.5 Ų | 73.5 | 31% | 0.311 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.7 | 9.3 | -177.4 | 72.2 | 0 | 0 | 0 | 0 | 114.4 | L93 H103 C107 | C91-L93 PolarHBondContact O-N 2.86Å; C91-H103 PolarHBondContact SG-NE2 2.81Å; C91-H103 VanDerWaalsContact SG-NE2 3.44Å; C91-C107 PolarHBondContact SG-SG 3.02Å |
| 92 | E | 87.1 | Confident | 89.9 | Confident | 150 Ų | 150 | 80.3 Ų | 80.3 | 70% | 0.701 | 39% | 0.392 | S | S | * | . | trans | 58.6 | 3.5 | 177.5 | -60.8 | 176.3 | -167.4 | 0 | 0 | 115.5 | M87 C88 E94 | M87-E92 HydrophobicContact CE-CB 3.87Å; M87-E92 HydrophobicContact CE-CG 4.4Å; M87-E92 WeakPolarHBondContact CE-O 3.48Å; C88-E92 WeakPolarHBondContact O-CA 3.43Å; C88-E92 PolarHBondContact O-N 3.48Å; E92-E94 PolarHBondContact O-N 3.07Å | ||
| 93 | L | 89.2 | Confident | 90.2 | Very high | 99 Ų | 99 | 81.1 Ų | 81.1 | 52% | 0.518 | 39% | 0.393 | S | S | . | . | trans | -67.8 | 130.1 | 179.4 | -174.9 | 65.9 | 0 | 0 | 0 | 111.2 | C88 C91 V95 | C88-L93 PolarHBondContact N-O 2.86Å; C91-L93 PolarHBondContact O-N 2.86Å; L93-V95 HydrophobicContact CD2-CG1 4.02Å; L93-V95 HydrophobicContact CG-CG1 4.07Å; L93-V95 PolarHBondContact O-N 2.82Å | ||
| 94 | E | 92.4 | Very high | 90.2 | Very high | 124 Ų | 124 | 80 Ų | 80 | 58% | 0.579 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 116.7 | 169.9 | -66.8 | -170 | 119.8 | 0 | 0 | 110.8 | L85 M87 E92 | L85-E94 HydrophobicContact CB-CB 4.31Å; L85-E94 HydrophobicContact CD1-CB 4.41Å; M87-E94 HydrophobicContact CG-CG 4.13Å; E92-E94 PolarHBondContact O-N 3.07Å |
| 95 | V | 91.6 | Very high | 90.2 | Very high | 13 Ų | 13 | 83.1 Ų | 83.1 | 8% | 0.079 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 150.1 | 177.2 | -62.7 | 0 | 0 | 0 | 0 | 111 | L85 Q86 L93 L100 H103 | L85-V95 WeakPolarHBondContact CA-O 3.49Å; Q86-V95 PolarHBondContact N-O 2.77Å; Q86-V95 PolarHBondContact O-N 3.06Å; L93-V95 HydrophobicContact CD2-CG1 4.02Å; L93-V95 HydrophobicContact CG-CG1 4.07Å; L93-V95 PolarHBondContact O-N 2.82Å; V95-L100 HydrophobicContact CG2-CB 4.05Å; V95-L100 HydrophobicContact CG2-CD1 3.43Å; V95-L100 VanDerWaalsContact CG2-CD1 3.43Å; V95-L100 HydrophobicContact CG2-CG 4.36Å; V95-H103 HydrophobicContact CG2-CB 4.41Å |
| 96 | P | 92.8 | Very high | 90.2 | Very high | 27 Ų | 27 | 83.8 Ų | 83.8 | 18% | 0.175 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 138.5 | 174.4 | -25.5 | 35.9 | 0 | 0 | 0 | 111.9 | R84 L85 K98 Q99 L100 | R84-P96 CarbonylContact O-C 3.56Å; R84-P96 WeakPolarHBondContact O-CA 3.23Å; L85-P96 HydrophobicContact CD2-CG 4.16Å; P96-K98 VanDerWaalsContact C-N 3.25Å; P96-K98 HydrophobicContact CB-CD 4.44Å; P96-K98 HydrophobicContact CB-CG 4.28Å; P96-K98 PolarHBondContact O-N 3.37Å; P96-K98 VanDerWaalsContact O-N 3.15Å; P96-Q99 CarbonylContact O-C 3.57Å; P96-Q99 WeakPolarHBondContact O-CA 3.36Å; P96-Q99 WeakPolarHBondContact O-CB 3.28Å; P96-Q99 PolarHBondContact O-N 3.28Å; P96-L100 PolarHBondContact O-N 2.96Å |
| 97 | W | 91 | Very high | 90.3 | Very high | 128 Ų | 128 | 80.2 Ų | 80.2 | 49% | 0.485 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -50.9 | -42.9 | -177.3 | -178.7 | -112.6 | 0 | 0 | 0 | 113.1 | P82 R84 Q86 Q99 L100 | P82-W97 PolarHBondContact O-N 3.4Å; R84-W97 PolarHBondContact O-N 2.96Å; Q86-W97 HydrophobicContact CB-CE3 4.15Å; Q86-W97 HydrophobicContact CG-CE3 3.63Å; Q86-W97 HydrophobicContact CG-CZ3 4.05Å; W97-Q99 PolarHBondContact O-N 3.35Å; W97-L100 HydrophobicContact CE3-CB 4.44Å; W97-L100 HydrophobicContact CE3-CD2 3.54Å; W97-L100 HydrophobicContact CZ3-CD2 3.43Å; W97-L100 VanDerWaalsContact CZ3-CD2 3.43Å; W97-L100 WeakPolarHBondContact O-CB 3.29Å; W97-L100 PolarHBondContact O-N 2.9Å; W97-L100 VanDerWaalsContact O-N 3.1Å |
| 98 | K | 89.6 | Confident | 90.2 | Very high | 107 Ų | 107 | 75.1 Ų | 75.1 | 47% | 0.465 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.5 | -19.8 | 176.4 | 80.6 | -160.6 | -170.8 | -165.1 | 0 | 114.7 | P82 E83 P96 | P82-K98 HydrophobicContact CB-CB 4.18Å; P82-K98 WeakPolarHBondContact O-CB 3.17Å; P82-K98 PolarHBondContact O-N 2.91Å; P82-K98 VanDerWaalsContact O-N 3.11Å; E83-K98 VanDerWaalsContact OE1-CD 3.27Å; E83-K98 WeakPolarHBondContact OE1-CD 3.43Å; E83-K98 IonicContact OE1-NZ 3.34Å; E83-K98 PolarHBondContact OE1-NZ 3.49Å; E83-K98 IonicContact OE2-NZ 2.88Å; E83-K98 PolarHBondContact OE2-NZ 3.16Å; P96-K98 VanDerWaalsContact C-N 3.25Å; P96-K98 HydrophobicContact CB-CD 4.44Å; P96-K98 HydrophobicContact CB-CG 4.28Å; P96-K98 PolarHBondContact O-N 3.37Å; P96-K98 VanDerWaalsContact O-N 3.15Å |
| 99 | Q | 90.5 | Very high | 90.1 | Very high | 88 Ų | 88 | 78.5 Ų | 78.5 | 41% | 0.411 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -112.1 | -9.8 | -178.4 | -81.6 | 166.9 | -19.3 | 0 | 0 | 112.1 | P96 W97 E101 H103 | P96-Q99 CarbonylContact O-C 3.57Å; P96-Q99 WeakPolarHBondContact O-CA 3.36Å; P96-Q99 WeakPolarHBondContact O-CB 3.28Å; P96-Q99 PolarHBondContact O-N 3.28Å; W97-Q99 PolarHBondContact O-N 3.35Å; Q99-E101 VanDerWaalsContact C-N 3.33Å; Q99-E101 PolarHBondContact O-N 2.98Å; Q99-H103 WeakPolarHBondContact O-CB 3.34Å; Q99-H103 PolarHBondContact O-N 3.47Å |
| 100 | L | 91.9 | Very high | 90.1 | Very high | 28 Ų | 28 | 78.4 Ų | 78.4 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.8 | -41.3 | -177.2 | -178.8 | 68.6 | 0 | 0 | 0 | 111.6 | Q86 V95 P96 W97 S104 | Q86-L100 HydrophobicContact CB-CD2 3.93Å; V95-L100 HydrophobicContact CG2-CB 4.05Å; V95-L100 HydrophobicContact CG2-CD1 3.43Å; V95-L100 VanDerWaalsContact CG2-CD1 3.43Å; V95-L100 HydrophobicContact CG2-CG 4.36Å; P96-L100 PolarHBondContact O-N 2.96Å; W97-L100 HydrophobicContact CE3-CB 4.44Å; W97-L100 HydrophobicContact CE3-CD2 3.54Å; W97-L100 HydrophobicContact CZ3-CD2 3.43Å; W97-L100 VanDerWaalsContact CZ3-CD2 3.43Å; W97-L100 WeakPolarHBondContact O-CB 3.29Å; W97-L100 PolarHBondContact O-N 2.9Å; W97-L100 VanDerWaalsContact O-N 3.1Å; L100-S104 WeakPolarHBondContact O-CB 3.45Å; L100-S104 PolarHBondContact O-N 2.77Å; L100-S104 PolarHBondContact O-OG 3.39Å |
| 101 | E | 90.5 | Very high | 90.3 | Very high | 158 Ų | 158 | 79.1 Ų | 79.1 | 74% | 0.738 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.4 | -56.3 | 179.5 | -174.7 | 173.9 | -142.8 | 0 | 0 | 111.7 | Q99 H103 S104 V105 | Q99-E101 VanDerWaalsContact C-N 3.33Å; Q99-E101 PolarHBondContact O-N 2.98Å; E101-H103 VanDerWaalsContact C-N 3.32Å; E101-H103 PolarHBondContact O-N 3Å; E101-S104 PolarHBondContact O-N 2.91Å; E101-S104 VanDerWaalsContact O-N 3.07Å; E101-S104 PolarHBondContact O-OG 3.4Å; E101-V105 PolarHBondContact O-N 3.24Å; E101-V105 VanDerWaalsContact O-N 3.09Å |
| 102 | E | 92.8 | Very high | 90.3 | Very high | 143 Ų | 143 | 80.6 Ų | 80.6 | 67% | 0.668 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -55.8 | -46.6 | 175.9 | -178.4 | -179.4 | -160.4 | 0 | 0 | 111.5 | S104 V105 V106 | E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 3.19Å; E102-V105 PolarHBondContact O-N 3.28Å; E102-V106 WeakPolarHBondContact O-CG2 3.46Å; E102-V106 PolarHBondContact O-N 3.5Å; E102-V106 VanDerWaalsContact O-N 3.15Å |
| 103 | H | 92.9 | Very high | 90.4 | Very high | 46 Ų | 46 | 77.9 Ų | 77.9 | 21% | 0.213 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 175.9 | 177.1 | 85.8 | 0 | 0 | 0 | 111.7 | C88 C91 V95 Q99 E101 V105 V106 C107 | C88-H103 WeakPolarHBondContact CB-NE2 3.45Å; C88-H103 PolarHBondContact SG-CD2 3.33Å; C88-H103 PolarHBondContact SG-NE2 3.37Å; C91-H103 PolarHBondContact SG-NE2 2.81Å; C91-H103 VanDerWaalsContact SG-NE2 3.44Å; V95-H103 HydrophobicContact CG2-CB 4.41Å; Q99-H103 WeakPolarHBondContact O-CB 3.34Å; Q99-H103 PolarHBondContact O-N 3.47Å; E101-H103 VanDerWaalsContact C-N 3.32Å; E101-H103 PolarHBondContact O-N 3Å; H103-V105 PolarHBondContact O-N 3.19Å; H103-V106 PolarHBondContact O-N 3Å; H103-C107 WeakPolarHBondContact O-CA 3.37Å; H103-C107 WeakPolarHBondContact O-CB 3.29Å; H103-C107 PolarHBondContact O-N 2.94Å |
| 104 | S | 89.7 | Confident | 90.4 | Very high | 34 Ų | 34 | 73.6 Ų | 73.6 | 24% | 0.238 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.9 | -39 | -178.3 | 77.5 | 0 | 0 | 0 | 0 | 112 | F90 L100 E101 E102 G108 | F90-S104 VanDerWaalsContact CE2-O 3.31Å; F90-S104 WeakPolarHBondContact CE2-O 3.46Å; L100-S104 WeakPolarHBondContact O-CB 3.45Å; L100-S104 PolarHBondContact O-N 2.77Å; L100-S104 PolarHBondContact O-OG 3.39Å; E101-S104 PolarHBondContact O-N 2.91Å; E101-S104 VanDerWaalsContact O-N 3.07Å; E101-S104 PolarHBondContact O-OG 3.4Å; E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 3.19Å; S104-G108 WeakPolarHBondContact O-CA 3.5Å; S104-G108 PolarHBondContact O-N 3.22Å |
| 105 | V | 90.9 | Very high | 90 | Very high | 101 Ų | 101 | 77.5 Ų | 77.5 | 61% | 0.612 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.3 | -49.4 | 177 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | E101 E102 H103 S109 | E101-V105 PolarHBondContact O-N 3.24Å; E101-V105 VanDerWaalsContact O-N 3.09Å; E102-V105 PolarHBondContact O-N 3.28Å; H103-V105 PolarHBondContact O-N 3.19Å; V105-S109 WeakPolarHBondContact O-CB 3.41Å; V105-S109 PolarHBondContact O-N 2.9Å; V105-S109 VanDerWaalsContact O-N 3.14Å; V105-S109 PolarHBondContact O-OG 3.12Å |
| 106 | V | 91.1 | Very high | 89.6 | Confident | 90 Ų | 90 | 82.4 Ų | 82.4 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 179.2 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | E102 H103 S109 R110 | E102-V106 WeakPolarHBondContact O-CG2 3.46Å; E102-V106 PolarHBondContact O-N 3.5Å; E102-V106 VanDerWaalsContact O-N 3.15Å; H103-V106 PolarHBondContact O-N 3Å; V106-S109 PolarHBondContact O-N 3.15Å; V106-S109 PolarHBondContact O-OG 3.21Å; V106-R110 PolarHBondContact O-N 2.89Å |
| 107 | C | 90.5 | Very high | 89.3 | Confident | 3 Ų | 3 | 82.5 Ų | 82.5 | 2% | 0.02 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.9 | -48.9 | -178.3 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | F90 C91 H103 S109 R110 | F90-C107 HydrophobicContact CB-CB 4.45Å; F90-C107 HydrophobicContact CD2-CB 4.44Å; C91-C107 PolarHBondContact SG-SG 3.02Å; H103-C107 WeakPolarHBondContact O-CA 3.37Å; H103-C107 WeakPolarHBondContact O-CB 3.29Å; H103-C107 PolarHBondContact O-N 2.94Å; C107-S109 PolarHBondContact O-N 3.49Å; C107-R110 VanDerWaalsContact O-CB 3.25Å; C107-R110 WeakPolarHBondContact O-CB 3.25Å; C107-R110 PolarHBondContact O-N 3.12Å |
| 108 | G | 89.1 | Confident | 88.9 | Confident | 4 Ų | 4 | 78.4 Ų | 78.4 | 4% | 0.041 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.4 | -32.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | S104 R110 L123 S124 | S104-G108 WeakPolarHBondContact O-CA 3.5Å; S104-G108 PolarHBondContact O-N 3.22Å; G108-R110 VanDerWaalsContact C-N 3.3Å; G108-R110 PolarHBondContact O-N 3.47Å; G108-L123 PolarHBondContact O-N 3.17Å; G108-S124 PolarHBondContact O-N 2.83Å; G108-S124 VanDerWaalsContact O-N 3.11Å; G108-S124 PolarHBondContact O-OG 2.77Å |
| 109 | S | 89.3 | Confident | 88.6 | Confident | 72 Ų | 72 | 77.9 Ų | 77.9 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.4 | -17.4 | 176.1 | 79.5 | 0 | 0 | 0 | 0 | 114.9 | V105 V106 C107 | V105-S109 WeakPolarHBondContact O-CB 3.41Å; V105-S109 PolarHBondContact O-N 2.9Å; V105-S109 VanDerWaalsContact O-N 3.14Å; V105-S109 PolarHBondContact O-OG 3.12Å; V106-S109 PolarHBondContact O-N 3.15Å; V106-S109 PolarHBondContact O-OG 3.21Å; C107-S109 PolarHBondContact O-N 3.49Å |
| 110 | R | 88.9 | Confident | 88.5 | Confident | 122 Ų | 122 | 81.7 Ų | 81.7 | 46% | 0.46 | 42% | 0.416 | S | S | . | . | trans | -64.9 | 135.8 | 177.4 | -69.3 | 169.3 | 49.1 | -174.1 | -14.5 | 109.8 | V106 C107 G108 E112 K122 L123 | V106-R110 PolarHBondContact O-N 2.89Å; C107-R110 VanDerWaalsContact O-CB 3.25Å; C107-R110 WeakPolarHBondContact O-CB 3.25Å; C107-R110 PolarHBondContact O-N 3.12Å; G108-R110 VanDerWaalsContact C-N 3.3Å; G108-R110 PolarHBondContact O-N 3.47Å; R110-E112 IonicContact CZ-OE1 3.44Å; R110-E112 IonicContact NH2-OE1 3.91Å; R110-E112 PolarHBondContact NH2-OE1 3.18Å; R110-K122 CarbonylContact O-C 3.38Å; R110-K122 VanDerWaalsContact O-CA 3.32Å; R110-K122 WeakPolarHBondContact O-CA 3.46Å; R110-L123 HydrophobicContact CB-CD1 4.19Å; R110-L123 PolarHBondContact O-N 3.42Å | ||
| 111 | T | 89.3 | Confident | 88.3 | Confident | 78 Ų | 78 | 81.1 Ų | 81.1 | 48% | 0.479 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 132.8 | 171.6 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | V121 K122 | T111-V121 CarbonylContact C-O 3.49Å; T111-V121 VanDerWaalsContact CA-O 3.27Å; T111-V121 WeakPolarHBondContact CA-O 3.13Å; T111-K122 HydrophobicContact CG2-CG 3.87Å |
| 112 | E | 85.8 | Confident | 88.3 | Confident | 77 Ų | 77 | 77.9 Ų | 77.9 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 157.4 | 170.6 | -61.8 | -157.3 | 169.6 | 0 | 0 | 110.3 | R110 C114 Y120 V121 L123 | R110-E112 IonicContact CZ-OE1 3.44Å; R110-E112 IonicContact NH2-OE1 3.91Å; R110-E112 PolarHBondContact NH2-OE1 3.18Å; E112-C114 PolarHBondContact O-N 3.2Å; E112-Y120 WeakPolarHBondContact O-CA 3.43Å; E112-V121 PolarHBondContact N-O 3.37Å; E112-V121 PolarHBondContact O-N 3.47Å; E112-L123 HydrophobicContact CB-CD2 4.26Å; E112-L123 HydrophobicContact CG-CD1 4.46Å; E112-L123 HydrophobicContact CG-CD2 3.78Å; E112-L123 HydrophobicContact CG-CG 4.12Å |
| 113 | L | 88.8 | Confident | 88 | Confident | 94 Ų | 94 | 71.6 Ų | 71.6 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 119.6 | -179.2 | -160.3 | 82.7 | 0 | 0 | 0 | 109.3 | K115 G118 Y120 | L113-K115 PolarHBondContact O-N 3.49Å; L113-G118 WeakPolarHBondContact CD1-O 3.36Å; L113-Y120 HydrophobicContact CD1-CD1 4.29Å; L113-Y120 HydrophobicContact CD1-CD2 3.99Å; L113-Y120 HydrophobicContact CD1-CE1 4.03Å; L113-Y120 HydrophobicContact CD1-CE2 3.7Å; L113-Y120 HydrophobicContact CD1-CG 4.28Å |
| 114 | C | 88.8 | Confident | 87.8 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | trans | -63.7 | 129 | 171.5 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | E112 D116 G118 R119 V121 H129 C133 | E112-C114 PolarHBondContact O-N 3.2Å; C114-D116 VanDerWaalsContact C-N 3.28Å; C114-D116 PolarHBondContact O-N 3.45Å; C114-G118 VanDerWaalsContact O-CA 3.26Å; C114-G118 WeakPolarHBondContact O-CA 3.38Å; C114-G118 PolarHBondContact O-N 3.36Å; C114-R119 WeakPolarHBondContact CB-O 3.39Å; C114-R119 PolarHBondContact N-O 3.11Å; C114-V121 HydrophobicContact CB-CG2 4.39Å; C114-H129 PolarHBondContact SG-NE2 3.18Å; C114-C133 VanDerWaalsContact SG-SG 3.69Å | ||
| 115 | K | 84.7 | Confident | 87.7 | Confident | 205 Ų | 205 | 72.6 Ų | 72.6 | 89% | 0.891 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -25.8 | -177.4 | -67.4 | 177.1 | -177.7 | 169.8 | 0 | 112.7 | L113 | L113-K115 PolarHBondContact O-N 3.49Š|
| 116 | D | 83.4 | Confident | 87.3 | Confident | 117 Ų | 117 | 71 Ų | 71 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -32 | -172.7 | -52.5 | -73.6 | 0 | 0 | 0 | 113.2 | C114 A135 | C114-D116 VanDerWaalsContact C-N 3.28Å; C114-D116 PolarHBondContact O-N 3.45Å; D116-A135 WeakPolarHBondContact O-CA 3.42Å; D116-A135 VanDerWaalsContact O-CB 3.27Å; D116-A135 WeakPolarHBondContact O-CB 3.47Å |
| 117 | C | 85.9 | Confident | 87 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 19% | 0.189 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 0.1 | 179 | 74.2 | 0 | 0 | 0 | 0 | 115.5 | R119 H129 C133 S134 | C117-R119 PolarHBondContact O-N 3.02Å; C117-R119 PolarHBondContact SG-NE 3.33Å; C117-R119 VanDerWaalsContact SG-NE 3.44Å; C117-H129 PolarHBondContact SG-CE1 3.23Å; C117-H129 PolarHBondContact SG-NE2 3.05Å; C117-C133 VanDerWaalsContact SG-SG 3.65Å; C117-S134 VanDerWaalsContact CB-O 3.31Å; C117-S134 WeakPolarHBondContact CB-O 3.31Å |
| 118 | G | 82.6 | Confident | 86.8 | Confident | 43 Ų | 43 | 77.8 Ų | 77.8 | 44% | 0.443 | 40% | 0.398 | S | S | . | . | trans | 66.7 | 3.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | L113 C114 | L113-G118 WeakPolarHBondContact CD1-O 3.36Å; C114-G118 VanDerWaalsContact O-CA 3.26Å; C114-G118 WeakPolarHBondContact O-CA 3.38Å; C114-G118 PolarHBondContact O-N 3.36Å | ||
| 119 | R | 84 | Confident | 86.6 | Confident | 95 Ų | 95 | 79 Ų | 79 | 36% | 0.358 | 40% | 0.403 | S | S | . | . | trans | -80.1 | 146.2 | 177.3 | -67.3 | -176.6 | -87.3 | -161.8 | -10.5 | 111.2 | C114 C117 V121 S134 D137 | C114-R119 WeakPolarHBondContact CB-O 3.39Å; C114-R119 PolarHBondContact N-O 3.11Å; C117-R119 PolarHBondContact O-N 3.02Å; C117-R119 PolarHBondContact SG-NE 3.33Å; C117-R119 VanDerWaalsContact SG-NE 3.44Å; R119-V121 HydrophobicContact CB-CG2 4.44Å; R119-S134 PolarHBondContact NH2-O 3.18Å; R119-D137 IonicContact CZ-OD2 3.9Å; R119-D137 IonicContact NH1-OD2 2.96Å; R119-D137 IonicContact NH2-OD2 3.77Å; R119-D137 PolarHBondContact NH2-OD2 2.72Å | ||
| 120 | Y | 87.8 | Confident | 86.3 | Confident | 168 Ų | 168 | 79.7 Ų | 79.7 | 66% | 0.659 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 120.8 | 169.4 | -76.8 | -83.2 | 0 | 0 | 0 | 109.9 | E112 L113 | E112-Y120 WeakPolarHBondContact O-CA 3.43Å; L113-Y120 HydrophobicContact CD1-CD1 4.29Å; L113-Y120 HydrophobicContact CD1-CD2 3.99Å; L113-Y120 HydrophobicContact CD1-CE1 4.03Å; L113-Y120 HydrophobicContact CD1-CE2 3.7Å; L113-Y120 HydrophobicContact CD1-CG 4.28Å |
| 121 | V | 87.1 | Confident | 86.1 | Confident | 17 Ų | 17 | 78.6 Ų | 78.6 | 10% | 0.103 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.4 | -176.3 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | T111 E112 C114 R119 D125 H129 | T111-V121 CarbonylContact C-O 3.49Å; T111-V121 VanDerWaalsContact CA-O 3.27Å; T111-V121 WeakPolarHBondContact CA-O 3.13Å; E112-V121 PolarHBondContact N-O 3.37Å; E112-V121 PolarHBondContact O-N 3.47Å; C114-V121 HydrophobicContact CB-CG2 4.39Å; R119-V121 HydrophobicContact CB-CG2 4.44Å; V121-D125 HydrophobicContact CG1-CB 4.15Å; V121-H129 HydrophobicContact CG1-CB 3.69Å; V121-H129 HydrophobicContact CG2-CB 4.48Å |
| 122 | K | 90.2 | Very high | 85.9 | Confident | 90 Ų | 90 | 79.7 Ų | 79.7 | 39% | 0.391 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 145.8 | 177.4 | -58.1 | -163.2 | -143.6 | 91.7 | 0 | 110.6 | R110 T111 S124 D125 Q126 | R110-K122 CarbonylContact O-C 3.38Å; R110-K122 VanDerWaalsContact O-CA 3.32Å; R110-K122 WeakPolarHBondContact O-CA 3.46Å; T111-K122 HydrophobicContact CG2-CG 3.87Å; K122-S124 PolarHBondContact O-N 3.45Å; K122-D125 HydrophobicContact CB-CB 4.19Å; K122-D125 IonicContact NZ-OD1 2.76Å; K122-D125 IonicContact NZ-OD2 3.09Å; K122-D125 PolarHBondContact NZ-OD2 2.91Å; K122-D125 CarbonylContact O-C 3.56Å; K122-D125 PolarHBondContact O-N 3.34Å; K122-Q126 PolarHBondContact O-N 2.81Å |
| 123 | L | 86.7 | Confident | 85.8 | Confident | 11 Ų | 11 | 77.5 Ų | 77.5 | 6% | 0.058 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.6 | 174.9 | -70.5 | 177.8 | 0 | 0 | 0 | 112.3 | F90 G108 R110 E112 Q126 | F90-L123 HydrophobicContact CB-CB 3.98Å; F90-L123 HydrophobicContact CB-CD1 4.18Å; F90-L123 HydrophobicContact CD1-CB 4.27Å; F90-L123 HydrophobicContact CG-CB 4.34Å; G108-L123 PolarHBondContact O-N 3.17Å; R110-L123 HydrophobicContact CB-CD1 4.19Å; R110-L123 PolarHBondContact O-N 3.42Å; E112-L123 HydrophobicContact CB-CD2 4.26Å; E112-L123 HydrophobicContact CG-CD1 4.46Å; E112-L123 HydrophobicContact CG-CD2 3.78Å; E112-L123 HydrophobicContact CG-CG 4.12Å; L123-Q126 VanDerWaalsContact CD2-OE1 3.27Å |
| 124 | S | 88.4 | Confident | 85.3 | Confident | 48 Ų | 48 | 75.9 Ų | 75.9 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -40.7 | 170.7 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | G108 K122 Q126 | G108-S124 PolarHBondContact O-N 2.83Å; G108-S124 VanDerWaalsContact O-N 3.11Å; G108-S124 PolarHBondContact O-OG 2.77Å; K122-S124 PolarHBondContact O-N 3.45Å; S124-Q126 VanDerWaalsContact C-N 3.34Å |
| 125 | D | 87.6 | Confident | 84.1 | Confident | 53 Ų | 53 | 79 Ų | 79 | 28% | 0.283 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -5.9 | -169.9 | -48.3 | -8.1 | 0 | 0 | 0 | 110.7 | V121 K122 S127 E128 H129 | V121-D125 HydrophobicContact CG1-CB 4.15Å; K122-D125 HydrophobicContact CB-CB 4.19Å; K122-D125 IonicContact NZ-OD1 2.76Å; K122-D125 IonicContact NZ-OD2 3.09Å; K122-D125 PolarHBondContact NZ-OD2 2.91Å; K122-D125 CarbonylContact O-C 3.56Å; K122-D125 PolarHBondContact O-N 3.34Å; D125-S127 VanDerWaalsContact C-N 3.35Å; D125-S127 PolarHBondContact O-N 2.97Å; D125-E128 PolarHBondContact O-N 3.41Å; D125-H129 WeakPolarHBondContact O-CB 3.14Å; D125-H129 PolarHBondContact O-N 3.42Å |
| 126 | Q | 84.3 | Confident | 82.7 | Confident | 67 Ų | 67 | 73.2 Ų | 73.2 | 31% | 0.313 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.2 | -31.1 | -170.3 | -161.2 | 170.4 | 32.4 | 0 | 0 | 113.1 | K122 L123 S124 S130 | K122-Q126 PolarHBondContact O-N 2.81Å; L123-Q126 VanDerWaalsContact CD2-OE1 3.27Å; S124-Q126 VanDerWaalsContact C-N 3.34Å; Q126-S130 WeakPolarHBondContact O-CB 3.32Å; Q126-S130 PolarHBondContact O-N 2.63Å |
| 127 | S | 84.2 | Confident | 80.8 | Confident | 94 Ų | 94 | 71.8 Ų | 71.8 | 66% | 0.657 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.5 | -48.9 | 173.5 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | D125 H129 S130 S131 | D125-S127 VanDerWaalsContact C-N 3.35Å; D125-S127 PolarHBondContact O-N 2.97Å; S127-H129 PolarHBondContact O-N 3.16Å; S127-S130 PolarHBondContact O-N 3.21Å; S127-S130 PolarHBondContact O-OG 3.33Å; S127-S131 PolarHBondContact O-N 2.79Å |
| 128 | E | 85.2 | Confident | 79.4 | Confident | 142 Ų | 142 | 79.2 Ų | 79.2 | 66% | 0.664 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.4 | -44.6 | 177.4 | -61.9 | -172.4 | 110.9 | 0 | 0 | 111.1 | D125 S130 S131 T132 | D125-E128 PolarHBondContact O-N 3.41Å; E128-S130 PolarHBondContact O-N 3.04Å; E128-S131 PolarHBondContact O-N 3.02Å; E128-S131 PolarHBondContact O-OG 3.46Å; E128-T132 PolarHBondContact O-N 3.17Å; E128-T132 PolarHBondContact O-OG1 3.47Å; E128-T132 VanDerWaalsContact O-OG1 3.08Å |
| 129 | H | 85.1 | Confident | 77.8 | Confident | 30 Ų | 30 | 85.7 Ų | 85.7 | 14% | 0.139 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 174.8 | 179.6 | 74.1 | 0 | 0 | 0 | 112.2 | C114 C117 V121 D125 S127 S131 T132 C133 | C114-H129 PolarHBondContact SG-NE2 3.18Å; C117-H129 PolarHBondContact SG-CE1 3.23Å; C117-H129 PolarHBondContact SG-NE2 3.05Å; V121-H129 HydrophobicContact CG1-CB 3.69Å; V121-H129 HydrophobicContact CG2-CB 4.48Å; D125-H129 WeakPolarHBondContact O-CB 3.14Å; D125-H129 PolarHBondContact O-N 3.42Å; S127-H129 PolarHBondContact O-N 3.16Å; H129-S131 PolarHBondContact O-N 2.82Å; H129-S131 VanDerWaalsContact O-N 3.11Å; H129-T132 CarbonylContact O-C 3.55Å; H129-T132 PolarHBondContact O-N 3.41Å; H129-C133 PolarHBondContact NE2-SG 3.42Å; H129-C133 WeakPolarHBondContact O-CA 3.4Å; H129-C133 VanDerWaalsContact O-CB 3.23Å; H129-C133 WeakPolarHBondContact O-CB 3.48Å; H129-C133 PolarHBondContact O-N 2.79Å |
| 130 | S | 84.1 | Confident | 76 | Confident | 86 Ų | 86 | 86.6 Ų | 86.6 | 60% | 0.601 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.3 | -30 | 179.2 | 73.8 | 0 | 0 | 0 | 0 | 113.2 | Q126 S127 E128 | Q126-S130 WeakPolarHBondContact O-CB 3.32Å; Q126-S130 PolarHBondContact O-N 2.63Å; S127-S130 PolarHBondContact O-N 3.21Å; S127-S130 PolarHBondContact O-OG 3.33Å; E128-S130 PolarHBondContact O-N 3.04Å |
| 131 | S | 84.3 | Confident | 73.9 | Confident | 99 Ų | 99 | 84.4 Ų | 84.4 | 69% | 0.692 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -79.6 | -18 | 177.1 | 76.5 | 0 | 0 | 0 | 0 | 114.6 | S127 E128 H129 | S127-S131 PolarHBondContact O-N 2.79Å; E128-S131 PolarHBondContact O-N 3.02Å; E128-S131 PolarHBondContact O-OG 3.46Å; H129-S131 PolarHBondContact O-N 2.82Å; H129-S131 VanDerWaalsContact O-N 3.11Å |
| 132 | T | 84.2 | Confident | 71.9 | Confident | 101 Ų | 101 | 89.6 Ų | 89.6 | 62% | 0.62 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -123 | 11.1 | -177.9 | 44.9 | 0 | 0 | 0 | 0 | 113.1 | E128 H129 S134 | E128-T132 PolarHBondContact O-N 3.17Å; E128-T132 PolarHBondContact O-OG1 3.47Å; E128-T132 VanDerWaalsContact O-OG1 3.08Å; H129-T132 CarbonylContact O-C 3.55Å; H129-T132 PolarHBondContact O-N 3.41Å; T132-S134 PolarHBondContact O-N 3.49Å |
| 133 | C | 85.2 | Confident | 70.1 | Confident | 30 Ų | 30 | 93.4 Ų | 93.4 | 20% | 0.203 | 55% | 0.547 | C | S | . | . | trans | -74.6 | 89.6 | -175.4 | -178 | 0 | 0 | 0 | 0 | 111.5 | C114 C117 H129 A135 | C114-C133 VanDerWaalsContact SG-SG 3.69Å; C117-C133 VanDerWaalsContact SG-SG 3.65Å; H129-C133 PolarHBondContact NE2-SG 3.42Å; H129-C133 WeakPolarHBondContact O-CA 3.4Å; H129-C133 VanDerWaalsContact O-CB 3.23Å; H129-C133 WeakPolarHBondContact O-CB 3.48Å; H129-C133 PolarHBondContact O-N 2.79Å; C133-A135 PolarHBondContact O-N 3.3Å | ||
| 134 | S | 78.4 | Confident | 67.9 | Low | 61 Ų | 61 | 98.7 Ų | 98.7 | 43% | 0.427 | 58% | 0.58 | S | S | . | * | trans | -66.4 | 116.7 | 160.5 | -60.4 | 0 | 0 | 0 | 0 | 109.1 | C117 R119 T132 A136 D137 | C117-S134 VanDerWaalsContact CB-O 3.31Å; C117-S134 WeakPolarHBondContact CB-O 3.31Å; R119-S134 PolarHBondContact NH2-O 3.18Å; T132-S134 PolarHBondContact O-N 3.49Å; S134-A136 PolarHBondContact O-N 2.9Å; S134-D137 VanDerWaalsContact CB-OD2 3.27Å; S134-D137 WeakPolarHBondContact CB-OD2 3.37Å | ||
| 135 | A | 62.8 | Low | 66 | Low | 73 Ų | 73 | 104.2 Ų | 104.2 | 60% | 0.603 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -68.7 | 9.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D116 C133 | D116-A135 WeakPolarHBondContact O-CA 3.42Å; D116-A135 VanDerWaalsContact O-CB 3.27Å; D116-A135 WeakPolarHBondContact O-CB 3.47Å; C133-A135 PolarHBondContact O-N 3.3Å |
| 136 | A | 54.7 | Low | 64.1 | Low | 85 Ų | 85 | 107.5 Ų | 107.5 | 70% | 0.702 | 63% | 0.632 | S | S | * | * | trans | -154.3 | 70.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | S134 | S134-A136 PolarHBondContact O-N 2.9Š| ||
| 137 | D | 43.4 | Very low | 62.3 | Low | 86 Ų | 86 | 110 Ų | 110 | 46% | 0.46 | 66% | 0.656 | S | S | . | * | trans | -123.3 | 80.8 | 156.4 | -64.6 | -52.6 | 0 | 0 | 0 | 108.1 | R119 S134 E139 | R119-D137 IonicContact CZ-OD2 3.9Å; R119-D137 IonicContact NH1-OD2 2.96Å; R119-D137 IonicContact NH2-OD2 3.77Å; R119-D137 PolarHBondContact NH2-OD2 2.72Å; S134-D137 VanDerWaalsContact CB-OD2 3.27Å; S134-D137 WeakPolarHBondContact CB-OD2 3.37Å; D137-E139 PolarHBondContact O-N 3.3Å | ||
| 138 | E | 57.5 | Low | 60.5 | Low | 184 Ų | 184 | 109.8 Ų | 109.8 | 86% | 0.86 | 66% | 0.661 | S | S | * | * | trans | -64.7 | 117.5 | 148.6 | -69.9 | -80.3 | 122 | 0 | 0 | 106.5 | ||||
| 139 | E | 49.5 | Very low | 58.3 | Low | 180 Ų | 180 | 110.1 Ų | 110.1 | 84% | 0.841 | 67% | 0.666 | S | S | * | * | trans | 149.7 | 137.5 | 147.4 | -76.7 | -81.8 | 104.1 | 0 | 0 | 111.7 | D137 | D137-E139 PolarHBondContact O-N 3.3Š| ||
| 140 | D | 45.4 | Very low | 57 | Low | 113 Ų | 113 | 117.2 Ų | 117.2 | 60% | 0.604 | 71% | 0.705 | S | S | * | * | trans | 54.9 | 86 | 166.4 | -155.7 | 28.5 | 0 | 0 | 0 | 121.2 | ||||
| 141 | S | 44.1 | Very low | 55.1 | Low | 122 Ų | 122 | 118.1 Ų | 118.1 | 85% | 0.853 | 71% | 0.707 | S | S | * | * | trans | -147.6 | 49.6 | 131.3 | -81.4 | 0 | 0 | 0 | 0 | 110.8 | Q143 | S141-Q143 PolarHBondContact O-N 3.13Š| ||
| 142 | T | 44 | Very low | 53.7 | Low | 126 Ų | 126 | 122.5 Ų | 122.5 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -87.7 | 41.3 | 173.7 | 44.1 | 0 | 0 | 0 | 0 | 112.1 | T144 | T142-T144 VanDerWaalsContact C-N 3.31Å; T142-T144 PolarHBondContact O-N 2.94Å | ||
| 143 | Q | 52.6 | Low | 52.5 | Low | 171 Ų | 171 | 123.4 Ų | 123.4 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | trans | -84.5 | 73.3 | 171 | -67 | -163.6 | 27.5 | 0 | 0 | 111.7 | S141 | S141-Q143 PolarHBondContact O-N 3.13Š| ||
| 144 | T | 40.9 | Very low | 51.7 | Low | 121 Ų | 121 | 127.3 Ų | 127.3 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -166.5 | 99.7 | 134.1 | -72.1 | 0 | 0 | 0 | 0 | 109.6 | T142 | T142-T144 VanDerWaalsContact C-N 3.31Å; T142-T144 PolarHBondContact O-N 2.94Å |
| 145 | L | 49.2 | Very low | 51.4 | Low | 164 Ų | 164 | 128.1 Ų | 128.1 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | trans | 63 | 73 | 152.1 | -54.7 | 174.8 | 0 | 0 | 0 | 118.8 | ||||
| 146 | S | 46.7 | Very low | 52.1 | Low | 122 Ų | 122 | 126.4 Ų | 126.4 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | trans | -112.1 | 80.9 | 149.3 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 147 | S | 47.3 | Very low | 53.1 | Low | 119 Ų | 119 | 126.1 Ų | 126.1 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | trans | -172.9 | 64 | 165.1 | 24.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 148 | A | 46.4 | Very low | 54.6 | Low | 91 Ų | 91 | 122.5 Ų | 122.5 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -169.1 | 143.7 | 143 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 149 | L | 39.3 | Very low | 55.2 | Low | 148 Ų | 148 | 124.9 Ų | 124.9 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | trans | 70.7 | 95.5 | 166.7 | -51.1 | -177.6 | 0 | 0 | 0 | 117.8 | T151 | L149-T151 WeakPolarHBondContact CB-OG1 3.19Å; L149-T151 PolarHBondContact O-N 3Å; L149-T151 PolarHBondContact O-OG1 3.1Å; L149-T151 VanDerWaalsContact O-OG1 3.08Å | ||
| 150 | N | 56.4 | Low | 55.9 | Low | 179 Ų | 179 | 125.2 Ų | 125.2 | 96% | 0.957 | 69% | 0.69 | S | S | * | * | trans | -44.3 | 104.5 | 140.6 | -80.6 | -73.8 | 0 | 0 | 0 | 109.1 | ||||
| 151 | T | 44.6 | Very low | 57.3 | Low | 105 Ų | 105 | 122.5 Ų | 122.5 | 64% | 0.644 | 68% | 0.679 | S | S | * | * | trans | -126.4 | 117.9 | 175.1 | -39.2 | 0 | 0 | 0 | 0 | 107.3 | L149 E153 | L149-T151 WeakPolarHBondContact CB-OG1 3.19Å; L149-T151 PolarHBondContact O-N 3Å; L149-T151 PolarHBondContact O-OG1 3.1Å; L149-T151 VanDerWaalsContact O-OG1 3.08Å; T151-E153 PolarHBondContact O-N 2.66Å | ||
| 152 | M | 55.6 | Low | 58.3 | Low | 192 Ų | 192 | 119.3 Ų | 119.3 | 95% | 0.946 | 67% | 0.665 | S | S | * | * | trans | -58.7 | 104.6 | -172.7 | -167.9 | 168.7 | 175.1 | 0 | 0 | 110.2 | N154 | M152-N154 PolarHBondContact O-N 3.25Å; M152-N154 VanDerWaalsContact O-N 3.1Å | ||
| 153 | E | 58.6 | Low | 59.6 | Low | 119 Ų | 119 | 122.2 Ų | 122.2 | 56% | 0.556 | 66% | 0.662 | S | S | * | * | trans | -69.7 | 108.4 | -173.1 | -74.6 | -157.3 | 114.3 | 0 | 0 | 111.4 | T151 T155 L166 K168 | T151-E153 PolarHBondContact O-N 2.66Å; E153-T155 PolarHBondContact O-N 2.82Å; E153-T155 PolarHBondContact O-OG1 3.2Å; E153-L166 HydrophobicContact CB-CD2 3.91Å; E153-K168 IonicContact OE1-NZ 3.21Å; E153-K168 PolarHBondContact OE1-NZ 3.31Å; E153-K168 VanDerWaalsContact OE1-NZ 3.09Å | ||
| 154 | N | 68.1 | Low | 60.5 | Low | 112 Ų | 112 | 118.3 Ų | 118.3 | 60% | 0.599 | 65% | 0.654 | S | S | * | * | trans | -68.8 | 103.1 | -178 | -153.7 | 36.9 | 0 | 0 | 0 | 109.9 | M152 E167 | M152-N154 PolarHBondContact O-N 3.25Å; M152-N154 VanDerWaalsContact O-N 3.1Å; N154-E167 PolarHBondContact ND2-OE2 3.39Å; N154-E167 PolarHBondContact O-N 3.24Å; N154-E167 VanDerWaalsContact O-N 3.14Å | ||
| 155 | T | 73.1 | Confident | 62 | Low | 79 Ų | 79 | 113.8 Ų | 113.8 | 49% | 0.485 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.4 | -174.9 | -48.5 | 0 | 0 | 0 | 0 | 109.1 | E153 F165 | E153-T155 PolarHBondContact O-N 2.82Å; E153-T155 PolarHBondContact O-OG1 3.2Å; T155-F165 CarbonylContact C-O 3.52Å; T155-F165 WeakPolarHBondContact CA-O 3.44Å; T155-F165 WeakPolarHBondContact CG2-O 3.37Å |
| 156 | V | 75.6 | Confident | 63.3 | Low | 37 Ų | 37 | 107.8 Ų | 107.8 | 22% | 0.224 | 59% | 0.592 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 139.3 | -175.8 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | F165 E167 | V156-F165 HydrophobicContact CB-CE2 4.26Å; V156-F165 PolarHBondContact N-O 3.03Å; V156-F165 PolarHBondContact O-N 3.13Å; V156-F165 VanDerWaalsContact O-O 3.05Å; V156-E167 HydrophobicContact CG2-CB 3.92Å; V156-E167 HydrophobicContact CG2-CG 4.14Å |
| 157 | S | 76.8 | Confident | 64.4 | Low | 78 Ų | 78 | 105.5 Ų | 105.5 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 138.2 | 177.9 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | R159 R163 | S157-R159 PolarHBondContact O-N 3.24Å; S157-R163 WeakPolarHBondContact CA-O 3.26Å |
| 158 | C | 73.9 | Confident | 65.3 | Low | 11 Ų | 11 | 106.9 Ų | 106.9 | 7% | 0.074 | 56% | 0.559 | C | S | . | * | trans | -64.8 | 129.2 | 171.4 | -168 | 0 | 0 | 0 | 0 | 110.4 | Y160 C161 G162 R163 F165 H173 | C158-Y160 VanDerWaalsContact C-N 3.25Å; C158-Y160 PolarHBondContact O-N 3.47Å; C158-Y160 PolarHBondContact SG-N 2.75Å; C158-Y160 VanDerWaalsContact SG-N 3.37Å; C158-C161 WeakPolarHBondContact CB-SG 3.47Å; C158-C161 PolarHBondContact SG-N 3.25Å; C158-G162 WeakPolarHBondContact O-CA 3.49Å; C158-G162 PolarHBondContact O-N 3.37Å; C158-R163 PolarHBondContact N-O 3.02Å; C158-F165 HydrophobicContact CB-CD1 4.43Å; C158-F165 HydrophobicContact CB-CE1 3.77Å; C158-H173 WeakPolarHBondContact CB-NE2 3.41Å; C158-H173 PolarHBondContact SG-NE2 3.3Å | ||
| 159 | R | 71.2 | Confident | 66.3 | Low | 234 Ų | 234 | 105.3 Ų | 105.3 | 88% | 0.883 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -22.4 | 173.4 | -168.2 | 175.1 | -69.1 | 177 | 0.3 | 113 | S157 | S157-R159 PolarHBondContact O-N 3.24Š|
| 160 | Y | 63.9 | Low | 67.7 | Low | 187 Ų | 187 | 102 Ų | 102 | 73% | 0.733 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -47 | -175 | -59.1 | -80.6 | 0 | 0 | 0 | 112.8 | C158 | C158-Y160 VanDerWaalsContact C-N 3.25Å; C158-Y160 PolarHBondContact O-N 3.47Å; C158-Y160 PolarHBondContact SG-N 2.75Å; C158-Y160 VanDerWaalsContact SG-N 3.37Å |
| 161 | C | 74.9 | Confident | 68.1 | Low | 55 Ų | 55 | 98.9 Ų | 98.9 | 37% | 0.372 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -1.1 | -179 | 76.3 | 0 | 0 | 0 | 0 | 114.8 | C158 R163 H173 | C158-C161 WeakPolarHBondContact CB-SG 3.47Å; C158-C161 PolarHBondContact SG-N 3.25Å; C161-R163 PolarHBondContact O-N 3.02Å; C161-H173 PolarHBondContact SG-CE1 3.48Å; C161-H173 PolarHBondContact SG-NE2 3.43Å |
| 162 | G | 65.7 | Low | 69.2 | Low | 55 Ų | 55 | 100.8 Ų | 100.8 | 57% | 0.567 | 49% | 0.493 | S | S | * | . | trans | 70.1 | -5.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | C158 | C158-G162 WeakPolarHBondContact O-CA 3.49Å; C158-G162 PolarHBondContact O-N 3.37Å | ||
| 163 | R | 70.2 | Confident | 70.1 | Confident | 187 Ų | 187 | 93.8 Ų | 93.8 | 71% | 0.706 | 46% | 0.457 | S | S | * | . | trans | -73.9 | 135.9 | -178.1 | -62.6 | -173.3 | -177.3 | -158.3 | 4 | 111.7 | S157 C158 C161 | S157-R163 WeakPolarHBondContact CA-O 3.26Å; C158-R163 PolarHBondContact N-O 3.02Å; C161-R163 PolarHBondContact O-N 3.02Å | ||
| 164 | S | 71.5 | Confident | 70.4 | Confident | 90 Ų | 90 | 93 Ų | 93 | 63% | 0.629 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 131.2 | 171.7 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 165 | F | 73.3 | Confident | 70.1 | Confident | 25 Ų | 25 | 94 Ų | 94 | 11% | 0.11 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 162.1 | 178 | 56.2 | -102.7 | 0 | 0 | 0 | 110.1 | T155 V156 C158 R170 H173 | T155-F165 CarbonylContact C-O 3.52Å; T155-F165 WeakPolarHBondContact CA-O 3.44Å; T155-F165 WeakPolarHBondContact CG2-O 3.37Å; V156-F165 HydrophobicContact CB-CE2 4.26Å; V156-F165 PolarHBondContact N-O 3.03Å; V156-F165 PolarHBondContact O-N 3.13Å; V156-F165 VanDerWaalsContact O-O 3.05Å; C158-F165 HydrophobicContact CB-CD1 4.43Å; C158-F165 HydrophobicContact CB-CE1 3.77Å; F165-R170 VanDerWaalsContact CE2-CA 3.44Å; F165-R170 HydrophobicContact CE2-CB 3.73Å; F165-R170 HydrophobicContact CE2-CG 4.13Å; F165-R170 HydrophobicContact CZ-CB 4.34Å; F165-R170 HydrophobicContact CZ-CG 4.26Å; F165-H173 HydrophobicContact CD1-CB 4.26Å; F165-H173 AromaticContact CD1-CD2 3.76Å; F165-H173 AromaticContact CD1-CG 3.84Å; F165-H173 HydrophobicContact CE1-CB 4.27Å; F165-H173 AromaticContact CE1-CD2 3.36Å; F165-H173 WeakPolarHBondContact CE1-CD2 3.35Å; F165-H173 AromaticContact CE1-CG 3.85Å |
| 166 | L | 75.6 | Confident | 69.5 | Low | 38 Ų | 38 | 99.3 Ų | 99.3 | 20% | 0.199 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 139.2 | 179.1 | -62.1 | 175.4 | 0 | 0 | 0 | 110 | E153 K168 E169 | E153-L166 HydrophobicContact CB-CD2 3.91Å; L166-K168 HydrophobicContact CB-CD 4.41Å; L166-K168 HydrophobicContact CB-CG 4.03Å; L166-K168 VanDerWaalsContact CD1-CE 3.41Å; L166-K168 PolarHBondContact O-N 2.86Å; L166-E169 HydrophobicContact CB-CG 4.24Å; L166-E169 WeakPolarHBondContact O-CA 3.04Å; L166-E169 WeakPolarHBondContact O-CB 3.22Å; L166-E169 PolarHBondContact O-N 3.18Å |
| 167 | E | 70.8 | Confident | 69.1 | Low | 74 Ų | 74 | 98.3 Ų | 98.3 | 35% | 0.346 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -54.7 | -31.8 | -172.7 | -175.1 | 152.6 | -150.1 | 0 | 0 | 113.8 | N154 V156 E169 R170 | N154-E167 PolarHBondContact ND2-OE2 3.39Å; N154-E167 PolarHBondContact O-N 3.24Å; N154-E167 VanDerWaalsContact O-N 3.14Å; V156-E167 HydrophobicContact CG2-CB 3.92Å; V156-E167 HydrophobicContact CG2-CG 4.14Å; E167-E169 PolarHBondContact O-N 2.96Å; E167-E169 VanDerWaalsContact O-N 3.12Å; E167-R170 WeakPolarHBondContact O-CB 3.38Å; E167-R170 PolarHBondContact O-N 3.26Å; E167-R170 IonicContact OE1-CZ 3.68Å; E167-R170 IonicContact OE1-NH1 2.69Å; E167-R170 PolarHBondContact OE1-NH1 2.92Å; E167-R170 VanDerWaalsContact OE1-NH1 3.17Å; E167-R170 IonicContact OE1-NH2 3.36Å; E167-R170 PolarHBondContact OE1-NH2 2.76Å |
| 168 | K | 65.8 | Low | 68.1 | Low | 148 Ų | 148 | 101.5 Ų | 101.5 | 64% | 0.643 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -62.3 | -8.8 | 172.4 | 69.3 | -161.9 | -179.8 | -161 | 0 | 115.6 | E153 L166 | E153-K168 IonicContact OE1-NZ 3.21Å; E153-K168 PolarHBondContact OE1-NZ 3.31Å; E153-K168 VanDerWaalsContact OE1-NZ 3.09Å; L166-K168 HydrophobicContact CB-CD 4.41Å; L166-K168 HydrophobicContact CB-CG 4.03Å; L166-K168 VanDerWaalsContact CD1-CE 3.41Å; L166-K168 PolarHBondContact O-N 2.86Å |
| 169 | E | 68.3 | Low | 67.2 | Low | 59 Ų | 59 | 107.1 Ų | 107.1 | 28% | 0.276 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -115 | 2.3 | -176.9 | -49.5 | -162.1 | 125.7 | 0 | 0 | 113 | L166 E167 D171 R172 H173 | L166-E169 HydrophobicContact CB-CG 4.24Å; L166-E169 WeakPolarHBondContact O-CA 3.04Å; L166-E169 WeakPolarHBondContact O-CB 3.22Å; L166-E169 PolarHBondContact O-N 3.18Å; E167-E169 PolarHBondContact O-N 2.96Å; E167-E169 VanDerWaalsContact O-N 3.12Å; E169-D171 PolarHBondContact O-N 2.65Å; E169-R172 PolarHBondContact O-N 3.13Å; E169-R172 IonicContact OE1-CZ 3.17Å; E169-R172 IonicContact OE1-NH1 3.58Å; E169-R172 PolarHBondContact OE1-NH1 3.06Å; E169-R172 IonicContact OE1-NH2 3.52Å; E169-R172 PolarHBondContact OE1-NH2 3.07Å; E169-R172 IonicContact OE2-NH2 2.68Å; E169-H173 PolarHBondContact O-N 3.11Å |
| 170 | R | 68.7 | Low | 66.3 | Low | 77 Ų | 77 | 103.1 Ų | 103.1 | 29% | 0.291 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -50.3 | -57.2 | 179.9 | -178.1 | -177.5 | -71.3 | 135.4 | -0.2 | 112 | F165 E167 R172 H173 E174 | F165-R170 VanDerWaalsContact CE2-CA 3.44Å; F165-R170 HydrophobicContact CE2-CB 3.73Å; F165-R170 HydrophobicContact CE2-CG 4.13Å; F165-R170 HydrophobicContact CZ-CB 4.34Å; F165-R170 HydrophobicContact CZ-CG 4.26Å; E167-R170 WeakPolarHBondContact O-CB 3.38Å; E167-R170 PolarHBondContact O-N 3.26Å; E167-R170 IonicContact OE1-CZ 3.68Å; E167-R170 IonicContact OE1-NH1 2.69Å; E167-R170 PolarHBondContact OE1-NH1 2.92Å; E167-R170 VanDerWaalsContact OE1-NH1 3.17Å; E167-R170 IonicContact OE1-NH2 3.36Å; E167-R170 PolarHBondContact OE1-NH2 2.76Å; R170-R172 VanDerWaalsContact C-N 3.29Å; R170-R172 PolarHBondContact O-N 3.05Å; R170-H173 CarbonylContact O-C 3.59Å; R170-H173 WeakPolarHBondContact O-CA 3.45Å; R170-H173 WeakPolarHBondContact O-CB 3.12Å; R170-H173 PolarHBondContact O-N 3.37Å; R170-E174 WeakPolarHBondContact CD-OE1 3.49Å; R170-E174 HydrophobicContact CG-CG 4.19Å; R170-E174 VanDerWaalsContact CG-OE1 3.23Å; R170-E174 WeakPolarHBondContact CG-OE1 3.49Å; R170-E174 WeakPolarHBondContact O-CG 3.29Å; R170-E174 PolarHBondContact O-N 3.5Å |
| 171 | D | 64.4 | Low | 65.7 | Low | 114 Ų | 114 | 99 Ų | 99 | 61% | 0.61 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.3 | -37.8 | -171.2 | -46.8 | -39.1 | 0 | 0 | 0 | 111.7 | E169 H173 E174 L175 | E169-D171 PolarHBondContact O-N 2.65Å; D171-H173 VanDerWaalsContact C-N 3.34Å; D171-E174 PolarHBondContact O-N 3.11Å; D171-L175 PolarHBondContact O-N 2.67Å; D171-L175 VanDerWaalsContact O-N 3.09Å |
| 172 | R | 67.4 | Low | 64.6 | Low | 146 Ų | 146 | 103.8 Ų | 103.8 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.7 | -33.2 | 175.7 | -168 | 176.6 | 73.9 | -124.2 | 6.1 | 112.2 | E169 R170 | E169-R172 PolarHBondContact O-N 3.13Å; E169-R172 IonicContact OE1-CZ 3.17Å; E169-R172 IonicContact OE1-NH1 3.58Å; E169-R172 PolarHBondContact OE1-NH1 3.06Å; E169-R172 IonicContact OE1-NH2 3.52Å; E169-R172 PolarHBondContact OE1-NH2 3.07Å; E169-R172 IonicContact OE2-NH2 2.68Å; R170-R172 VanDerWaalsContact C-N 3.29Å; R170-R172 PolarHBondContact O-N 3.05Å |
| 173 | H | 73.6 | Confident | 63.6 | Low | 44 Ų | 44 | 107.6 Ų | 107.6 | 20% | 0.204 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -74.7 | -42.4 | 174 | -177.6 | 72.7 | 0 | 0 | 0 | 111.9 | C158 C161 F165 E169 R170 D171 L175 R176 C177 | C158-H173 WeakPolarHBondContact CB-NE2 3.41Å; C158-H173 PolarHBondContact SG-NE2 3.3Å; C161-H173 PolarHBondContact SG-CE1 3.48Å; C161-H173 PolarHBondContact SG-NE2 3.43Å; F165-H173 HydrophobicContact CD1-CB 4.26Å; F165-H173 AromaticContact CD1-CD2 3.76Å; F165-H173 AromaticContact CD1-CG 3.84Å; F165-H173 HydrophobicContact CE1-CB 4.27Å; F165-H173 AromaticContact CE1-CD2 3.36Å; F165-H173 WeakPolarHBondContact CE1-CD2 3.35Å; F165-H173 AromaticContact CE1-CG 3.85Å; E169-H173 PolarHBondContact O-N 3.11Å; R170-H173 CarbonylContact O-C 3.59Å; R170-H173 WeakPolarHBondContact O-CA 3.45Å; R170-H173 WeakPolarHBondContact O-CB 3.12Å; R170-H173 PolarHBondContact O-N 3.37Å; D171-H173 VanDerWaalsContact C-N 3.34Å; H173-L175 VanDerWaalsContact C-N 3.35Å; H173-L175 PolarHBondContact O-N 3.33Å; H173-R176 PolarHBondContact O-N 2.72Å; H173-C177 WeakPolarHBondContact O-CB 3.23Å; H173-C177 PolarHBondContact O-N 3.22Å |
| 174 | E | 65.3 | Low | 62.4 | Low | 104 Ų | 104 | 106.2 Ų | 106.2 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 177.6 | -74.1 | -177.4 | -173.7 | 0 | 0 | 111.6 | R170 D171 R176 C177 Y178 | R170-E174 WeakPolarHBondContact CD-OE1 3.49Å; R170-E174 HydrophobicContact CG-CG 4.19Å; R170-E174 VanDerWaalsContact CG-OE1 3.23Å; R170-E174 WeakPolarHBondContact CG-OE1 3.49Å; R170-E174 WeakPolarHBondContact O-CG 3.29Å; R170-E174 PolarHBondContact O-N 3.5Å; D171-E174 PolarHBondContact O-N 3.11Å; E174-R176 PolarHBondContact O-N 2.78Å; E174-C177 PolarHBondContact O-N 3.32Å; E174-Y178 WeakPolarHBondContact O-CB 3.47Å; E174-Y178 PolarHBondContact O-N 2.79Å |
| 175 | L | 62.9 | Low | 61.2 | Low | 131 Ų | 131 | 106.9 Ų | 106.9 | 69% | 0.686 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -56.9 | -44.5 | 173.7 | -92.3 | 153 | 0 | 0 | 0 | 113.4 | D171 H173 | D171-L175 PolarHBondContact O-N 2.67Å; D171-L175 VanDerWaalsContact O-N 3.09Å; H173-L175 VanDerWaalsContact C-N 3.35Å; H173-L175 PolarHBondContact O-N 3.33Å |
| 176 | R | 58.8 | Low | 59.7 | Low | 192 Ų | 192 | 112.6 Ų | 112.6 | 73% | 0.725 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -75.4 | -39.3 | 177.4 | -74.7 | -169.8 | 179 | -174.4 | 0.1 | 112.9 | H173 E174 Y178 Q179 | H173-R176 PolarHBondContact O-N 2.72Å; E174-R176 PolarHBondContact O-N 2.78Å; R176-Y178 PolarHBondContact O-N 3.11Å; R176-Q179 PolarHBondContact O-N 2.87Å; R176-Q179 VanDerWaalsContact O-N 3.16Å |
| 177 | C | 69.2 | Low | 57.9 | Low | 16 Ų | 16 | 116.2 Ų | 116.2 | 11% | 0.108 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -69.2 | -22.8 | -179.2 | -164 | 0 | 0 | 0 | 0 | 112.5 | H173 E174 | H173-C177 WeakPolarHBondContact O-CB 3.23Å; H173-C177 PolarHBondContact O-N 3.22Å; E174-C177 PolarHBondContact O-N 3.32Å |
| 178 | Y | 54.8 | Low | 56.7 | Low | 145 Ų | 145 | 121.4 Ų | 121.4 | 57% | 0.569 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -78.4 | -29.6 | 172 | -170.3 | -102.2 | 0 | 0 | 0 | 112.9 | E174 R176 L181 Y182 | E174-Y178 WeakPolarHBondContact O-CB 3.47Å; E174-Y178 PolarHBondContact O-N 2.79Å; R176-Y178 PolarHBondContact O-N 3.11Å; Y178-L181 PolarHBondContact O-N 3.18Å; Y178-Y182 HydrophobicContact CE1-CD2 4.2Å; Y178-Y182 HydrophobicContact CE1-CE2 4.04Å; Y178-Y182 AromaticContact CZ-CE2 3.97Å |
| 179 | Q | 55.8 | Low | 55.4 | Low | 128 Ų | 128 | 123.5 Ų | 123.5 | 60% | 0.598 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.8 | -36.3 | -176.6 | -166.5 | 164.9 | -10.1 | 0 | 0 | 112.4 | R176 L181 Y182 | R176-Q179 PolarHBondContact O-N 2.87Å; R176-Q179 VanDerWaalsContact O-N 3.16Å; Q179-L181 PolarHBondContact O-N 2.84Å; Q179-Y182 PolarHBondContact O-N 3.32Å |
| 180 | E | 51.3 | Low | 54.1 | Low | 150 Ų | 150 | 129.4 Ų | 129.4 | 70% | 0.701 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -13.8 | 174.8 | -65.8 | -175 | 164 | 0 | 0 | 113.6 | ||
| 181 | L | 52.4 | Low | 52.8 | Low | 102 Ų | 102 | 134.8 Ų | 134.8 | 53% | 0.534 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.8 | -8.4 | 176.8 | -71.5 | 169.4 | 0 | 0 | 0 | 114.1 | Y178 Q179 | Y178-L181 PolarHBondContact O-N 3.18Å; Q179-L181 PolarHBondContact O-N 2.84Å |
| 182 | Y | 50.5 | Low | 51.2 | Low | 154 Ų | 154 | 141.3 Ų | 141.3 | 60% | 0.604 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -19.8 | -179.2 | -103.1 | -89.3 | 0 | 0 | 0 | 114.2 | Y178 Q179 E184 V185 | Y178-Y182 HydrophobicContact CE1-CD2 4.2Å; Y178-Y182 HydrophobicContact CE1-CE2 4.04Å; Y178-Y182 AromaticContact CZ-CE2 3.97Å; Q179-Y182 PolarHBondContact O-N 3.32Å; Y182-E184 VanDerWaalsContact C-N 3.32Å; Y182-E184 PolarHBondContact O-N 2.81Å; Y182-V185 PolarHBondContact O-N 3.49Å |
| 183 | E | 46 | Very low | 49.8 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 63% | 0.631 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.7 | -15.7 | -179.2 | -64.6 | -177 | 174.7 | 0 | 0 | 113.3 | V185 | E183-V185 VanDerWaalsContact C-N 3.27Å; E183-V185 PolarHBondContact O-N 2.94Å |
| 184 | E | 43.8 | Very low | 48.1 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -74.7 | -8.6 | 174 | -69.1 | -160.4 | 152.2 | 0 | 0 | 114.5 | Y182 | Y182-E184 VanDerWaalsContact C-N 3.32Å; Y182-E184 PolarHBondContact O-N 2.81Å |
| 185 | V | 46.7 | Very low | 46.8 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 63% | 0.63 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -91.8 | -32.3 | -177.4 | -173.3 | 0 | 0 | 0 | 0 | 112.6 | Y182 E183 T187 | Y182-V185 PolarHBondContact O-N 3.49Å; E183-V185 VanDerWaalsContact C-N 3.27Å; E183-V185 PolarHBondContact O-N 2.94Å; V185-T187 PolarHBondContact O-N 2.82Å |
| 186 | D | 41.9 | Very low | 45.5 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -76.7 | -22.6 | -173.1 | -135.8 | -105.3 | 0 | 0 | 0 | 113.2 | K188 | D186-K188 PolarHBondContact O-N 2.95Å |
| 187 | T | 38.5 | Very low | 44.6 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 69% | 0.693 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 10 | -175.8 | 56.1 | 0 | 0 | 0 | 0 | 115.3 | V185 | V185-T187 PolarHBondContact O-N 2.82Š|
| 188 | K | 45.6 | Very low | 43.5 | Very low | 183 Ų | 183 | 154.1 Ų | 154.1 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -8.1 | -179.7 | -85.6 | 178.8 | 179.9 | 163.1 | 0 | 116.5 | D186 | D186-K188 PolarHBondContact O-N 2.95Š|
| 189 | E | 38.1 | Very low | 42.6 | Very low | 192 Ų | 192 | 156.2 Ų | 156.2 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | trans | -102.3 | 30.4 | 176.7 | -65 | -148.8 | 116.9 | 0 | 0 | 114.2 | K191 | E189-K191 PolarHBondContact O-N 3.24Š| ||
| 190 | Q | 41.2 | Very low | 42.1 | Very low | 184 Ų | 184 | 159.2 Ų | 159.2 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -84.4 | 98.7 | 158.1 | -80.2 | -166.9 | -12 | 0 | 0 | 111.4 | ||||
| 191 | K | 41.1 | Very low | 41.6 | Very low | 189 Ų | 189 | 161.3 Ų | 161.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 179.1 | 112.9 | 141 | -107.5 | 169.6 | 178.6 | 176.9 | 0 | 112.4 | E189 | E189-K191 PolarHBondContact O-N 3.24Š| ||
| 192 | W | 30.8 | Very low | 40.7 | Very low | 251 Ų | 251 | 165.3 Ų | 165.3 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | trans | 167 | 59.1 | 133.7 | -79.5 | -3.7 | 0 | 0 | 0 | 111 | ||||
| 193 | E | 37.4 | Very low | 39.8 | Very low | 187 Ų | 187 | 163.1 Ų | 163.1 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -117.6 | 157.5 | 149.9 | -65.7 | -171.3 | 143.1 | 0 | 0 | 106.7 | ||||
| 194 | D | 38.9 | Very low | 39.6 | Very low | 173 Ų | 173 | 165.7 Ų | 165.7 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | 91.9 | 61 | -169.4 | -61.1 | -34.9 | 0 | 0 | 0 | 117.5 | ||||
| 195 | A | 36.1 | Very low | 39.2 | Very low | 101 Ų | 101 | 165.9 Ų | 165.9 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -150.5 | 126 | 147.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 196 | D | 35.7 | Very low | 38.8 | Very low | 138 Ų | 138 | 169 Ų | 169 | 74% | 0.738 | 83% | 0.834 | S | S | * | * | trans | 97.2 | 62.4 | 161.5 | -118.5 | -91.7 | 0 | 0 | 0 | 120.2 | ||||
| 197 | D | 41.1 | Very low | 38.4 | Very low | 156 Ų | 156 | 169.1 Ų | 169.1 | 83% | 0.834 | 83% | 0.834 | S | S | * | * | trans | -102.4 | 73.5 | 148.3 | -161.3 | -9.1 | 0 | 0 | 0 | 109.7 | ||||
| 198 | L | 45.3 | Very low | 38.1 | Very low | 148 Ų | 148 | 176 Ų | 176 | 78% | 0.775 | 85% | 0.847 | S | S | * | * | trans | -146 | 43.9 | 178.1 | -161.1 | 69.7 | 0 | 0 | 0 | 113.5 | ||||
| 199 | F | 35.4 | Very low | 37.4 | Very low | 189 Ų | 189 | 171.9 Ų | 171.9 | 83% | 0.829 | 84% | 0.842 | S | S | * | * | trans | -140.5 | 39.5 | 174.8 | -141.7 | -94.7 | 0 | 0 | 0 | 115.8 | ||||
| 200 | K | 47.1 | Very low | 36.9 | Very low | 191 Ų | 191 | 167.3 Ų | 167.3 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -131.3 | 37 | -175.6 | -108.4 | -176.1 | -175.2 | 173.6 | 0 | 116.7 | ||
| 201 | Q | 40.1 | Very low | 36.2 | Very low | 194 Ų | 194 | 169.3 Ų | 169.3 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -156.4 | 6.9 | 167.1 | -126.2 | 161.6 | -20.4 | 0 | 0 | 120.4 | ||
| 202 | Q | 32.9 | Very low | 35.8 | Very low | 185 Ų | 185 | 170.1 Ų | 170.1 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | trans | -132.9 | 87.9 | -177.5 | -72.1 | -174.1 | -13.5 | 0 | 0 | 114.5 | ||||
| 203 | S | 32.6 | Very low | 35.7 | Very low | 108 Ų | 108 | 162.3 Ų | 162.3 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | -179.9 | 40.3 | 139 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 204 | Q | 41.5 | Very low | 35.4 | Very low | 189 Ų | 189 | 159.5 Ų | 159.5 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -70.2 | 146.6 | 138.1 | -135.6 | 168.5 | -6.1 | 0 | 0 | 106.4 | ||
| 205 | D | 35.5 | Very low | 35.1 | Very low | 163 Ų | 163 | 156.3 Ų | 156.3 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 73 | 44.4 | -176.9 | -76.2 | -71 | 0 | 0 | 0 | 119.2 | ||
| 206 | Q | 38.7 | Very low | 34.9 | Very low | 168 Ų | 168 | 160.6 Ų | 160.6 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -129.8 | 111.9 | 142.2 | -78.8 | -146.8 | 22.6 | 0 | 0 | 114.3 | ||
| 207 | L | 33.7 | Very low | 35.6 | Very low | 150 Ų | 150 | 159.5 Ų | 159.5 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | 91.9 | 69.3 | 149.7 | -56.5 | 172.3 | 0 | 0 | 0 | 120.6 | ||||
| 208 | R | 31.3 | Very low | 35 | Very low | 256 Ų | 256 | 161.3 Ų | 161.3 | 97% | 0.966 | 83% | 0.826 | S | S | * | * | trans | -94.6 | 84.6 | 139.5 | -176.4 | -159.8 | -173.1 | -147.5 | 5.6 | 110.7 | ||||
| 209 | S | 31 | Very low | 34.2 | Very low | 98 Ų | 98 | 158.8 Ų | 158.8 | 69% | 0.685 | 83% | 0.827 | S | S | * | * | trans | -173.5 | 98.4 | 156.8 | -148.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 210 | A | 27 | Very low | 33.8 | Very low | 96 Ų | 96 | 153.6 Ų | 153.6 | 79% | 0.793 | 83% | 0.826 | S | S | * | * | 73.1 | 96.9 | 84.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 211 | Y | 26.5 | Very low | 33 | Very low | 226 Ų | 226 | 154.9 Ų | 154.9 | 89% | 0.886 | 83% | 0.826 | S | S | * | * | trans | -118.7 | 139.5 | 146.2 | 60.7 | -91.8 | 0 | 0 | 0 | 108.7 | ||||
| 212 | K | 33.5 | Very low | 32.8 | Very low | 205 Ų | 205 | 154.3 Ų | 154.3 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | trans | -107 | 125.8 | 174.8 | -86.8 | -174.5 | 172.6 | -178.2 | 0 | 109.6 | ||||
| 213 | A | 29.2 | Very low | 32.5 | Very low | 88 Ų | 88 | 148 Ų | 148 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 51.2 | 150 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 214 | T | 31.1 | Very low | 33 | Very low | 128 Ų | 128 | 148.9 Ų | 148.9 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | cis | -174.2 | 155.4 | 2.8 | 19.7 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 215 | S | 30.9 | Very low | 32.4 | Very low | 105 Ų | 105 | 151.4 Ų | 151.4 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | cis | -175.1 | 171.9 | -15.2 | -92.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 216 | Q | 33.1 | Very low | 32.7 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | cis | -121.4 | -137 | 12.6 | -58.9 | 176 | 7.7 | 0 | 0 | 110.9 | ||||
| 217 | S | 50 | Low | 32.5 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -107.2 | 120.3 | -165.2 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 218 | H | 29.2 | Very low | 32.7 | Very low | 194 Ų | 194 | 143 Ų | 143 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -134.2 | 152.1 | 177 | -119.1 | -90.6 | 0 | 0 | 0 | 113 | ||||
| 219 | A | 28.1 | Very low | 33.5 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | -5.4 | 139.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 220 | G | 27.1 | Very low | 34.4 | Very low | 79 Ų | 79 | 140.2 Ų | 140.2 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -105.1 | 175.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 221 | R | 30.1 | Very low | 36 | Very low | 219 Ų | 219 | 142.4 Ų | 142.4 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -156.1 | 118.4 | 149.2 | -141 | -166.6 | -68.7 | -103 | 3.9 | 111.8 | ||||
| 222 | Q | 35 | Very low | 37.7 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 57 | 113.8 | 139.4 | -71 | 169.3 | -0.1 | 0 | 0 | 122.2 | ||||
| 223 | G | 27.2 | Very low | 39.1 | Very low | 54 Ų | 54 | 132.3 Ų | 132.3 | 56% | 0.557 | 76% | 0.756 | S | S | * | * | trans | -151 | 149.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 224 | P | 43.9 | Very low | 41.1 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -92 | 131.1 | -154.1 | 0.6 | 18.7 | 0 | 0 | 0 | 113.1 | ||||
| 225 | W | 27.9 | Very low | 43 | Very low | 241 Ų | 241 | 128.2 Ų | 128.2 | 91% | 0.913 | 73% | 0.725 | S | S | * | * | trans | -121 | 101.4 | 168 | -69.1 | 87.1 | 0 | 0 | 0 | 109.5 | S227 | W225-S227 PolarHBondContact O-N 3.5Š| ||
| 226 | V | 42.5 | Very low | 45.1 | Very low | 139 Ų | 139 | 123.2 Ų | 123.2 | 84% | 0.842 | 69% | 0.69 | S | S | * | * | trans | -71.3 | 105 | 166.3 | 171.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 227 | S | 34 | Very low | 46.8 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 78% | 0.776 | 67% | 0.672 | S | S | * | * | trans | -109.3 | 63.5 | 163.4 | -61.3 | 0 | 0 | 0 | 0 | 108.4 | W225 D229 | W225-S227 PolarHBondContact O-N 3.5Å; S227-D229 VanDerWaalsContact C-N 3.34Å; S227-D229 PolarHBondContact O-N 2.74Å; S227-D229 VanDerWaalsContact O-N 3.08Å | ||
| 228 | G | 37.3 | Very low | 47.8 | Very low | 56 Ų | 56 | 116.6 Ų | 116.6 | 58% | 0.577 | 65% | 0.653 | S | S | * | * | trans | -73.2 | 91.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q230 | G228-Q230 PolarHBondContact O-N 3.43Š| ||
| 229 | D | 49 | Very low | 49.9 | Very low | 114 Ų | 114 | 110 Ų | 110 | 61% | 0.61 | 63% | 0.628 | S | S | * | * | trans | 22.6 | 88.8 | 137.3 | -158.5 | -58.8 | 0 | 0 | 0 | 115.3 | S227 Q232 | S227-D229 VanDerWaalsContact C-N 3.34Å; S227-D229 PolarHBondContact O-N 2.74Å; S227-D229 VanDerWaalsContact O-N 3.08Å; D229-Q232 VanDerWaalsContact CG-NE2 3.26Å; D229-Q232 WeakPolarHBondContact OD1-CG 3.29Å; D229-Q232 PolarHBondContact OD1-NE2 3.16Å; D229-Q232 PolarHBondContact OD2-NE2 3.12Å | ||
| 230 | Q | 50.8 | Low | 51.7 | Low | 181 Ų | 181 | 111.9 Ų | 111.9 | 85% | 0.846 | 62% | 0.62 | S | S | * | * | trans | -125.5 | 32.2 | -179 | -155.8 | -178.5 | -10.1 | 0 | 0 | 112.7 | G228 | G228-Q230 PolarHBondContact O-N 3.43Š| ||
| 231 | D | 58.7 | Low | 53.7 | Low | 141 Ų | 141 | 112.3 Ų | 112.3 | 75% | 0.754 | 60% | 0.603 | S | S | * | * | trans | -142.1 | 27.7 | 173.9 | -89.3 | -53.4 | 0 | 0 | 0 | 113.1 | I233 | D231-I233 PolarHBondContact O-N 3.43Å; D231-I233 VanDerWaalsContact O-N 3.11Å | ||
| 232 | Q | 62.3 | Low | 56 | Low | 113 Ų | 113 | 104.5 Ų | 104.5 | 53% | 0.528 | 59% | 0.585 | S | S | . | * | trans | -67.8 | 109.8 | 167.9 | -92 | 176.5 | 79.7 | 0 | 0 | 110.9 | D229 L245 | D229-Q232 VanDerWaalsContact CG-NE2 3.26Å; D229-Q232 WeakPolarHBondContact OD1-CG 3.29Å; D229-Q232 PolarHBondContact OD1-NE2 3.16Å; D229-Q232 PolarHBondContact OD2-NE2 3.12Å; Q232-L245 HydrophobicContact CB-CD1 3.61Å; Q232-L245 HydrophobicContact CB-CG 4.12Å; Q232-L245 WeakPolarHBondContact O-CG 3.42Å; Q232-L245 PolarHBondContact O-N 3.27Å | ||
| 233 | I | 64.3 | Low | 57.6 | Low | 106 Ų | 106 | 97.5 Ų | 97.5 | 54% | 0.544 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.5 | 131.3 | 171 | -61.4 | 174.2 | 0 | 0 | 0 | 108.3 | D231 A242 L243 P244 | D231-I233 PolarHBondContact O-N 3.43Å; D231-I233 VanDerWaalsContact O-N 3.11Å; I233-A242 HydrophobicContact CG2-CB 3.9Å; I233-L243 WeakPolarHBondContact CA-O 3.49Å; I233-P244 HydrophobicContact CG1-CG 4.37Å |
| 234 | S | 70.6 | Confident | 59.9 | Low | 53 Ų | 53 | 97.5 Ų | 97.5 | 37% | 0.371 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 160.3 | 177.6 | -176.2 | 0 | 0 | 0 | 0 | 111 | A242 L243 | S234-A242 WeakPolarHBondContact O-CA 3.3Å; S234-L243 PolarHBondContact N-O 3.29Å; S234-L243 PolarHBondContact O-N 3.27Å; S234-L243 VanDerWaalsContact O-O 3.08Å |
| 235 | T | 71.2 | Confident | 61.1 | Low | 77 Ų | 77 | 94.5 Ų | 94.5 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134 | -174.7 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | L241 A242 | T235-L241 WeakPolarHBondContact CA-O 3.44Å; T235-A242 HydrophobicContact CG2-CB 3.76Å |
| 236 | C | 74.6 | Confident | 62.6 | Low | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 51% | 0.509 | C | S | . | . | trans | -64.6 | 129.5 | 176.5 | -179.3 | 0 | 0 | 0 | 0 | 111 | H238 C239 H240 L241 L248 | C236-H238 PolarHBondContact O-N 3.25Å; C236-H238 VanDerWaalsContact O-N 3.14Å; C236-C239 VanDerWaalsContact CB-SG 3.59Å; C236-H240 WeakPolarHBondContact O-CA 3.41Å; C236-H240 PolarHBondContact O-N 3.08Å; C236-H240 PolarHBondContact O-ND1 3.22Å; C236-L241 PolarHBondContact N-O 3.42Å; C236-L248 HydrophobicContact CB-CD1 3.73Å | ||
| 237 | P | 69.7 | Low | 63.6 | Low | 80 Ų | 80 | 85 Ų | 85 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -9.4 | -179.2 | 29 | -36.1 | 0 | 0 | 0 | 114 | E252 | P237-E252 WeakPolarHBondContact CD-OE1 3.39Š|
| 238 | H | 70.3 | Confident | 65.2 | Low | 87 Ų | 87 | 79.9 Ų | 79.9 | 40% | 0.403 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -21.7 | -176.9 | -63.9 | -47.8 | 0 | 0 | 0 | 114.5 | C236 V259 | C236-H238 PolarHBondContact O-N 3.25Å; C236-H238 VanDerWaalsContact O-N 3.14Å; H238-V259 HydrophobicContact CB-CG2 4.29Å |
| 239 | C | 72.8 | Confident | 66.6 | Low | 56 Ų | 56 | 84.7 Ų | 84.7 | 38% | 0.378 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | -2.2 | -179.1 | 70.2 | 0 | 0 | 0 | 0 | 114 | C236 L241 H251 | C236-C239 VanDerWaalsContact CB-SG 3.59Å; C239-L241 PolarHBondContact O-N 3Å; C239-L241 VanDerWaalsContact O-N 3.08Å; C239-H251 PolarHBondContact SG-NE2 3.14Å |
| 240 | H | 67.4 | Low | 67.5 | Low | 136 Ų | 136 | 87.4 Ų | 87.4 | 63% | 0.63 | 46% | 0.462 | S | S | * | . | trans | 58 | 14.1 | -179.4 | -53.5 | -56.3 | 0 | 0 | 0 | 116.4 | C236 A242 | C236-H240 WeakPolarHBondContact O-CA 3.41Å; C236-H240 PolarHBondContact O-N 3.08Å; C236-H240 PolarHBondContact O-ND1 3.22Å; H240-A242 PolarHBondContact O-N 3.41Å | ||
| 241 | L | 68.1 | Low | 68.5 | Low | 88 Ų | 88 | 80.8 Ų | 80.8 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | trans | -69.1 | 127.3 | 172.7 | -173.1 | 64.4 | 0 | 0 | 0 | 110.8 | T235 C236 C239 L243 | T235-L241 WeakPolarHBondContact CA-O 3.44Å; C236-L241 PolarHBondContact N-O 3.42Å; C239-L241 PolarHBondContact O-N 3Å; C239-L241 VanDerWaalsContact O-N 3.08Å; L241-L243 HydrophobicContact CD2-CD1 4.15Å; L241-L243 HydrophobicContact CD2-CD2 4.32Å; L241-L243 HydrophobicContact CD2-CG 4.27Å; L241-L243 HydrophobicContact CG-CD2 4.41Å; L241-L243 HydrophobicContact CG-CG 4.19Å | ||
| 242 | A | 78 | Confident | 69.1 | Low | 54 Ų | 54 | 77.1 Ų | 77.1 | 45% | 0.446 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 123 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | I233 S234 T235 H240 | I233-A242 HydrophobicContact CG2-CB 3.9Å; S234-A242 WeakPolarHBondContact O-CA 3.3Å; T235-A242 HydrophobicContact CG2-CB 3.76Å; H240-A242 PolarHBondContact O-N 3.41Å |
| 243 | L | 69.2 | Low | 69.3 | Low | 35 Ų | 35 | 74.8 Ų | 74.8 | 18% | 0.183 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 152.2 | -179.8 | -66.1 | 173.5 | 0 | 0 | 0 | 111.2 | I233 S234 L241 L245 T247 L248 H251 | I233-L243 WeakPolarHBondContact CA-O 3.49Å; S234-L243 PolarHBondContact N-O 3.29Å; S234-L243 PolarHBondContact O-N 3.27Å; S234-L243 VanDerWaalsContact O-O 3.08Å; L241-L243 HydrophobicContact CD2-CD1 4.15Å; L241-L243 HydrophobicContact CD2-CD2 4.32Å; L241-L243 HydrophobicContact CD2-CG 4.27Å; L241-L243 HydrophobicContact CG-CD2 4.41Å; L241-L243 HydrophobicContact CG-CG 4.19Å; L243-L245 PolarHBondContact O-N 3.47Å; L243-T247 HydrophobicContact CD1-CG2 4.47Å; L243-L248 HydrophobicContact CB-CB 4.21Å; L243-L248 HydrophobicContact CB-CD1 4.26Å; L243-H251 HydrophobicContact CD1-CB 3.72Å |
| 244 | P | 74.8 | Confident | 69.1 | Low | 53 Ų | 53 | 76.1 Ų | 76.1 | 34% | 0.344 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 138.3 | 168.4 | -24.6 | 34.5 | 0 | 0 | 0 | 111.2 | I233 P246 T247 L248 | I233-P244 HydrophobicContact CG1-CG 4.37Å; P244-P246 VanDerWaalsContact C-N 3.34Å; P244-P246 VanDerWaalsContact O-N 3.11Å; P244-T247 PolarHBondContact O-N 3.45Å; P244-L248 PolarHBondContact O-N 3.48Å |
| 245 | L | 69.1 | Low | 68.9 | Low | 64 Ų | 64 | 74.4 Ų | 74.4 | 34% | 0.335 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -48.4 | -39.3 | -173.5 | -75.3 | 175.3 | 0 | 0 | 0 | 116.1 | Q232 L243 L248 K249 | Q232-L245 HydrophobicContact CB-CD1 3.61Å; Q232-L245 HydrophobicContact CB-CG 4.12Å; Q232-L245 WeakPolarHBondContact O-CG 3.42Å; Q232-L245 PolarHBondContact O-N 3.27Å; L243-L245 PolarHBondContact O-N 3.47Å; L245-L248 HydrophobicContact CD2-CD2 4.24Å; L245-L248 PolarHBondContact O-N 2.79Å; L245-K249 PolarHBondContact O-N 2.99Å |
| 246 | P | 59.9 | Low | 68.6 | Low | 104 Ų | 104 | 78.8 Ų | 78.8 | 68% | 0.675 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 177.1 | -21.8 | 34 | 0 | 0 | 0 | 112.3 | P244 | P244-P246 VanDerWaalsContact C-N 3.34Å; P244-P246 VanDerWaalsContact O-N 3.11Å |
| 247 | T | 63 | Low | 67.9 | Low | 75 Ų | 75 | 83.1 Ų | 83.1 | 46% | 0.46 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.8 | -35.5 | 177.8 | -43.9 | 0 | 0 | 0 | 0 | 111.3 | L243 P244 W250 H251 | L243-T247 HydrophobicContact CD1-CG2 4.47Å; P244-T247 PolarHBondContact O-N 3.45Å; T247-W250 PolarHBondContact O-N 3.17Å; T247-H251 WeakPolarHBondContact O-CB 3.26Å; T247-H251 PolarHBondContact O-N 2.85Å |
| 248 | L | 67.8 | Low | 67.3 | Low | 4 Ų | 4 | 84 Ų | 84 | 2% | 0.021 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 178.7 | -173.9 | 65.7 | 0 | 0 | 0 | 112 | C236 L243 P244 L245 W250 H251 E252 | C236-L248 HydrophobicContact CB-CD1 3.73Å; L243-L248 HydrophobicContact CB-CB 4.21Å; L243-L248 HydrophobicContact CB-CD1 4.26Å; P244-L248 PolarHBondContact O-N 3.48Å; L245-L248 HydrophobicContact CD2-CD2 4.24Å; L245-L248 PolarHBondContact O-N 2.79Å; L248-W250 VanDerWaalsContact C-N 3.32Å; L248-W250 PolarHBondContact O-N 3.14Å; L248-H251 CarbonylContact O-C 3.58Å; L248-H251 WeakPolarHBondContact O-CB 3.12Å; L248-H251 PolarHBondContact O-N 2.97Å; L248-H251 VanDerWaalsContact O-N 3.14Å; L248-E252 HydrophobicContact CD1-CG 4.22Å; L248-E252 HydrophobicContact CG-CG 4.19Å; L248-E252 WeakPolarHBondContact O-CB 3.39Å; L248-E252 WeakPolarHBondContact O-CG 3.16Å; L248-E252 PolarHBondContact O-N 3.04Å |
| 249 | K | 67.6 | Low | 66.7 | Low | 158 Ų | 158 | 83 Ų | 83 | 69% | 0.687 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -58.1 | -41.8 | 179.7 | -75.7 | -179.2 | 177.3 | -179.8 | 0 | 113.1 | L245 | L245-K249 PolarHBondContact O-N 2.99Å |
| 250 | W | 67.6 | Low | 65.9 | Low | 170 Ų | 170 | 84.4 Ų | 84.4 | 64% | 0.644 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -71.9 | -41.1 | 175.8 | -175 | 90.6 | 0 | 0 | 0 | 111.7 | T247 L248 E252 A253 K254 | T247-W250 PolarHBondContact O-N 3.17Å; L248-W250 VanDerWaalsContact C-N 3.32Å; L248-W250 PolarHBondContact O-N 3.14Å; W250-E252 PolarHBondContact O-N 3.22Å; W250-A253 PolarHBondContact O-N 2.76Å; W250-K254 HydrophobicContact CH2-CD 3.57Å; W250-K254 HydrophobicContact CZ2-CD 3.98Å; W250-K254 HydrophobicContact CZ3-CD 3.92Å; W250-K254 PolarHBondContact O-N 2.8Å |
| 251 | H | 71.2 | Confident | 65.1 | Low | 43 Ų | 43 | 82.4 Ų | 82.4 | 20% | 0.199 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 176.3 | 180 | 88.7 | 0 | 0 | 0 | 112.2 | C239 L243 T247 L248 A253 K254 C255 | C239-H251 PolarHBondContact SG-NE2 3.14Å; L243-H251 HydrophobicContact CD1-CB 3.72Å; T247-H251 WeakPolarHBondContact O-CB 3.26Å; T247-H251 PolarHBondContact O-N 2.85Å; L248-H251 CarbonylContact O-C 3.58Å; L248-H251 WeakPolarHBondContact O-CB 3.12Å; L248-H251 PolarHBondContact O-N 2.97Å; L248-H251 VanDerWaalsContact O-N 3.14Å; H251-A253 PolarHBondContact O-N 3.5Å; H251-K254 PolarHBondContact O-N 3.48Å; H251-C255 WeakPolarHBondContact O-CB 3.48Å; H251-C255 PolarHBondContact O-N 2.95Å |
| 252 | E | 71.4 | Confident | 64.3 | Low | 63 Ų | 63 | 85.8 Ų | 85.8 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 179.3 | -79.4 | 178.4 | 163.8 | 0 | 0 | 112.5 | P237 L248 W250 K254 C255 R256 | P237-E252 WeakPolarHBondContact CD-OE1 3.39Å; L248-E252 HydrophobicContact CD1-CG 4.22Å; L248-E252 HydrophobicContact CG-CG 4.19Å; L248-E252 WeakPolarHBondContact O-CB 3.39Å; L248-E252 WeakPolarHBondContact O-CG 3.16Å; L248-E252 PolarHBondContact O-N 3.04Å; W250-E252 PolarHBondContact O-N 3.22Å; E252-K254 VanDerWaalsContact C-N 3.34Å; E252-K254 PolarHBondContact O-N 2.87Å; E252-C255 PolarHBondContact O-N 2.89Å; E252-R256 VanDerWaalsContact O-CB 3.29Å; E252-R256 WeakPolarHBondContact O-CB 3.42Å; E252-R256 PolarHBondContact O-N 3.21Å |
| 253 | A | 66 | Low | 63 | Low | 65 Ų | 65 | 86.9 Ų | 86.9 | 54% | 0.537 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W250 H251 | W250-A253 PolarHBondContact O-N 2.76Å; H251-A253 PolarHBondContact O-N 3.5Å |
| 254 | K | 61.3 | Low | 62.1 | Low | 133 Ų | 133 | 95.5 Ų | 95.5 | 58% | 0.578 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -74.6 | -36.4 | -179.6 | -160.6 | 167.9 | -173.2 | 173.3 | 0 | 112.7 | W250 H251 E252 V257 N258 | W250-K254 HydrophobicContact CH2-CD 3.57Å; W250-K254 HydrophobicContact CZ2-CD 3.98Å; W250-K254 HydrophobicContact CZ3-CD 3.92Å; W250-K254 PolarHBondContact O-N 2.8Å; H251-K254 PolarHBondContact O-N 3.48Å; E252-K254 VanDerWaalsContact C-N 3.34Å; E252-K254 PolarHBondContact O-N 2.87Å; K254-V257 PolarHBondContact O-N 3.33Å; K254-N258 PolarHBondContact O-N 2.88Å |
| 255 | C | 65.9 | Low | 60.7 | Low | 18 Ų | 18 | 101.4 Ų | 101.4 | 12% | 0.122 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 177.7 | -168.5 | 0 | 0 | 0 | 0 | 111.3 | H251 E252 V257 N258 V259 | H251-C255 WeakPolarHBondContact O-CB 3.48Å; H251-C255 PolarHBondContact O-N 2.95Å; E252-C255 PolarHBondContact O-N 2.89Å; C255-V257 VanDerWaalsContact C-N 3.33Å; C255-V257 PolarHBondContact O-N 3.45Å; C255-N258 PolarHBondContact O-N 3Å; C255-N258 VanDerWaalsContact O-N 3.11Å; C255-V259 WeakPolarHBondContact O-CG2 3.46Å; C255-V259 PolarHBondContact O-N 2.93Å |
| 256 | R | 64.9 | Low | 59.4 | Low | 169 Ų | 169 | 104.8 Ų | 104.8 | 64% | 0.638 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -58 | -41.7 | 176.7 | -174.8 | 178.7 | 175.8 | -149.6 | -1.2 | 112.6 | E252 V260 | E252-R256 VanDerWaalsContact O-CB 3.29Å; E252-R256 WeakPolarHBondContact O-CB 3.42Å; E252-R256 PolarHBondContact O-N 3.21Å; R256-V260 WeakPolarHBondContact O-CG2 3.44Å; R256-V260 PolarHBondContact O-N 3.5Å |
| 257 | V | 60.6 | Low | 59.4 | Low | 91 Ų | 91 | 104.8 Ų | 104.8 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.6 | -44.4 | 175 | 176 | 0 | 0 | 0 | 0 | 110.9 | K254 C255 V259 V260 L261 | K254-V257 PolarHBondContact O-N 3.33Å; C255-V257 VanDerWaalsContact C-N 3.33Å; C255-V257 PolarHBondContact O-N 3.45Å; V257-V259 VanDerWaalsContact C-N 3.34Å; V257-V259 PolarHBondContact O-N 3.41Å; V257-V260 PolarHBondContact O-N 2.87Å; V257-L261 HydrophobicContact CG1-CD1 4.27Å; V257-L261 WeakPolarHBondContact O-CG 3.33Å; V257-L261 PolarHBondContact O-N 3.11Å |
| 258 | N | 55.9 | Low | 59.2 | Low | 97 Ų | 97 | 106.4 Ų | 106.4 | 52% | 0.519 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.5 | -31.7 | -176.8 | -149.3 | 16.4 | 0 | 0 | 0 | 113 | K254 C255 K262 | K254-N258 PolarHBondContact O-N 2.88Å; C255-N258 PolarHBondContact O-N 3Å; C255-N258 VanDerWaalsContact O-N 3.11Å; N258-K262 PolarHBondContact O-N 3.48Å |
| 259 | V | 57.9 | Low | 58.7 | Low | 67 Ų | 67 | 112.1 Ų | 112.1 | 41% | 0.406 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.1 | -37.5 | 172 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | H238 C255 V257 K262 A263 | H238-V259 HydrophobicContact CB-CG2 4.29Å; C255-V259 WeakPolarHBondContact O-CG2 3.46Å; C255-V259 PolarHBondContact O-N 2.93Å; V257-V259 VanDerWaalsContact C-N 3.34Å; V257-V259 PolarHBondContact O-N 3.41Å; V259-K262 PolarHBondContact O-N 2.77Å; V259-A263 PolarHBondContact O-N 3.25Å; V259-A263 VanDerWaalsContact O-N 3.16Å |
| 260 | V | 55.4 | Low | 58.2 | Low | 85 Ų | 85 | 109.4 Ų | 109.4 | 52% | 0.515 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.3 | -34.6 | 176 | 171.1 | 0 | 0 | 0 | 0 | 112.1 | R256 V257 A263 | R256-V260 WeakPolarHBondContact O-CG2 3.44Å; R256-V260 PolarHBondContact O-N 3.5Å; V257-V260 PolarHBondContact O-N 2.87Å; V260-A263 PolarHBondContact O-N 3.08Å |
| 261 | L | 50.6 | Low | 57.6 | Low | 95 Ų | 95 | 105.6 Ų | 105.6 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.7 | -48.1 | 173.8 | -68.8 | 171.9 | 0 | 0 | 0 | 111.3 | V257 A263 R264 | V257-L261 HydrophobicContact CG1-CD1 4.27Å; V257-L261 WeakPolarHBondContact O-CG 3.33Å; V257-L261 PolarHBondContact O-N 3.11Å; L261-A263 PolarHBondContact O-N 3.01Å; L261-A263 VanDerWaalsContact O-N 3.15Å; L261-R264 PolarHBondContact O-N 3.23Å |
| 262 | K | 51.8 | Low | 56.7 | Low | 158 Ų | 158 | 109.7 Ų | 109.7 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.7 | -21.8 | 176 | -76.3 | -168.1 | 172.3 | -169.1 | 0 | 114.6 | N258 V259 R264 | N258-K262 PolarHBondContact O-N 3.48Å; V259-K262 PolarHBondContact O-N 2.77Å; K262-R264 VanDerWaalsContact C-N 3.29Å |
| 263 | A | 52.2 | Low | 55.7 | Low | 77 Ų | 77 | 113.1 Ų | 113.1 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 2.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V259 V260 L261 | V259-A263 PolarHBondContact O-N 3.25Å; V259-A263 VanDerWaalsContact O-N 3.16Å; V260-A263 PolarHBondContact O-N 3.08Å; L261-A263 PolarHBondContact O-N 3.01Å; L261-A263 VanDerWaalsContact O-N 3.15Å |
| 264 | R | 48.7 | Very low | 54.9 | Low | 217 Ų | 217 | 116.8 Ų | 116.8 | 82% | 0.819 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -113.2 | -4.1 | 175.2 | -78.4 | -177 | 164.2 | -171.7 | -4.6 | 114.3 | L261 K262 | L261-R264 PolarHBondContact O-N 3.23Å; K262-R264 VanDerWaalsContact C-N 3.29Å |
| 265 | E | 46.9 | Very low | 54.4 | Low | 176 Ų | 176 | 115.4 Ų | 115.4 | 82% | 0.822 | 63% | 0.634 | S | S | * | * | trans | -109 | 20 | 177.1 | -64.2 | -177.2 | 104.1 | 0 | 0 | 112.3 | ||||
| 266 | G | 41.4 | Very low | 53.3 | Low | 135 Ų | 135 | 124.3 Ų | 124.3 | 100% | 1.392 | 68% | 0.68 | S | S | * | * | trans | -134.8 | 0 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 266 of 266 residues in 204.2 ms
(Link to these results)