| 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 | 51.9 | Low | 53.8 | Low | 220 Ų | 220 | 98.3 Ų | 98.3 | 100% | 1.084 | 60% | 0.598 | S | S | * | * | 0 | -37 | 0 | -63.9 | -154.1 | -155.9 | 0 | 0 | 113.4 | A3 A4 A5 | M1-A3 PolarHBondContact O-N 2.64Å; M1-A4 PolarHBondContact O-N 3.43Å; M1-A5 PolarHBondContact O-N 3.39Å | |||
| 2 | L | 50.8 | Low | 53.6 | Low | 151 Ų | 151 | 95.3 Ų | 95.3 | 79% | 0.791 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.7 | -42.4 | 178.3 | -117.4 | 87.8 | 0 | 0 | 0 | 114.4 | A4 A5 V6 | L2-A4 VanDerWaalsContact C-N 3.34Å; L2-A4 PolarHBondContact O-N 3.12Å; L2-A5 PolarHBondContact O-N 3Å; L2-V6 WeakPolarHBondContact O-CG2 3.44Å; L2-V6 PolarHBondContact O-N 3.13Å; L2-V6 VanDerWaalsContact O-N 3.12Å |
| 3 | A | 51.2 | Low | 53 | Low | 78 Ų | 78 | 93.6 Ų | 93.6 | 65% | 0.645 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.1 | -36.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 V6 T7 | M1-A3 PolarHBondContact O-N 2.64Å; A3-V6 PolarHBondContact O-N 2.9Å; A3-T7 PolarHBondContact O-N 2.89Å; A3-T7 VanDerWaalsContact O-N 3.09Å; A3-T7 PolarHBondContact O-OG1 2.83Å |
| 4 | A | 53.1 | Low | 52.5 | Low | 60 Ų | 60 | 93.3 Ų | 93.3 | 50% | 0.496 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.4 | -36.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 L2 T7 V8 | M1-A4 PolarHBondContact O-N 3.43Å; L2-A4 VanDerWaalsContact C-N 3.34Å; L2-A4 PolarHBondContact O-N 3.12Å; A4-T7 WeakPolarHBondContact CA-OG1 3.44Å; A4-T7 PolarHBondContact O-N 3.17Å; A4-T7 PolarHBondContact O-OG1 3.11Å; A4-V8 VanDerWaalsContact O-CG2 3.27Å; A4-V8 WeakPolarHBondContact O-CG2 3.42Å; A4-V8 PolarHBondContact O-N 3.17Å |
| 5 | A | 53.5 | Low | 52 | Low | 52 Ų | 52 | 94 Ų | 94 | 43% | 0.43 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.7 | -38.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 L2 V8 L9 | M1-A5 PolarHBondContact O-N 3.39Å; L2-A5 PolarHBondContact O-N 3Å; A5-V8 PolarHBondContact O-N 2.81Å; A5-L9 WeakPolarHBondContact O-CB 3.18Å; A5-L9 PolarHBondContact O-N 2.78Å |
| 6 | V | 57.8 | Low | 51.7 | Low | 77 Ų | 77 | 96.8 Ų | 96.8 | 47% | 0.467 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.3 | -41.3 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | L2 A3 V8 L9 L10 | L2-V6 WeakPolarHBondContact O-CG2 3.44Å; L2-V6 PolarHBondContact O-N 3.13Å; L2-V6 VanDerWaalsContact O-N 3.12Å; A3-V6 PolarHBondContact O-N 2.9Å; V6-V8 PolarHBondContact O-N 3.39Å; V6-L9 PolarHBondContact O-N 3.23Å; V6-L10 HydrophobicContact CG1-CD1 3.51Å; V6-L10 WeakPolarHBondContact O-CB 3.39Å; V6-L10 WeakPolarHBondContact O-CD1 3.33Å; V6-L10 PolarHBondContact O-N 2.98Å |
| 7 | T | 58 | Low | 51.1 | Low | 94 Ų | 94 | 98.5 Ų | 98.5 | 58% | 0.577 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.4 | -35 | 176.1 | 47.5 | 0 | 0 | 0 | 0 | 113.2 | A3 A4 G11 | A3-T7 PolarHBondContact O-N 2.89Å; A3-T7 VanDerWaalsContact O-N 3.09Å; A3-T7 PolarHBondContact O-OG1 2.83Å; A4-T7 WeakPolarHBondContact CA-OG1 3.44Å; A4-T7 PolarHBondContact O-N 3.17Å; A4-T7 PolarHBondContact O-OG1 3.11Å; T7-G11 PolarHBondContact O-N 3.13Å |
| 8 | V | 58.7 | Low | 50.5 | Low | 95 Ų | 95 | 98 Ų | 98 | 58% | 0.576 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.1 | -42.1 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | A4 A5 V6 G11 T12 | A4-V8 VanDerWaalsContact O-CG2 3.27Å; A4-V8 WeakPolarHBondContact O-CG2 3.42Å; A4-V8 PolarHBondContact O-N 3.17Å; A5-V8 PolarHBondContact O-N 2.81Å; V6-V8 PolarHBondContact O-N 3.39Å; V8-G11 PolarHBondContact O-N 3.46Å; V8-T12 WeakPolarHBondContact O-CG2 3.47Å; V8-T12 PolarHBondContact O-N 3.1Å; V8-T12 PolarHBondContact O-OG1 3.16Å |
| 9 | L | 54.3 | Low | 50.1 | Low | 110 Ų | 110 | 102.3 Ų | 102.3 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.2 | -40.2 | 174.8 | -87 | 154.6 | 0 | 0 | 0 | 112.7 | A5 V6 T12 V13 | A5-L9 WeakPolarHBondContact O-CB 3.18Å; A5-L9 PolarHBondContact O-N 2.78Å; V6-L9 PolarHBondContact O-N 3.23Å; L9-T12 WeakPolarHBondContact CA-OG1 3.42Å; L9-T12 PolarHBondContact O-OG1 2.79Å; L9-T12 VanDerWaalsContact O-OG1 3.04Å; L9-V13 VanDerWaalsContact O-CB 3.25Å; L9-V13 WeakPolarHBondContact O-CB 3.34Å; L9-V13 WeakPolarHBondContact O-CG2 3.21Å; L9-V13 PolarHBondContact O-N 3.1Å |
| 10 | L | 52.6 | Low | 49.7 | Very low | 107 Ų | 107 | 102.3 Ų | 102.3 | 56% | 0.56 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.9 | -39.8 | 173.4 | -94.7 | 122.4 | 0 | 0 | 0 | 111.8 | V6 V13 V14 | V6-L10 HydrophobicContact CG1-CD1 3.51Å; V6-L10 WeakPolarHBondContact O-CB 3.39Å; V6-L10 WeakPolarHBondContact O-CD1 3.33Å; V6-L10 PolarHBondContact O-N 2.98Å; L10-V13 PolarHBondContact O-N 3.09Å; L10-V14 VanDerWaalsContact O-CB 3.3Å; L10-V14 WeakPolarHBondContact O-CB 3.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.45Å; L10-V14 PolarHBondContact O-N 3.27Å |
| 11 | G | 50.4 | Low | 50 | Low | 37 Ų | 37 | 101 Ų | 101 | 38% | 0.381 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.9 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T7 V8 T15 | T7-G11 PolarHBondContact O-N 3.13Å; V8-G11 PolarHBondContact O-N 3.46Å; G11-T15 WeakPolarHBondContact O-CB 3.35Å; G11-T15 WeakPolarHBondContact O-CG2 3.47Å; G11-T15 PolarHBondContact O-N 3.27Å; G11-T15 VanDerWaalsContact O-N 3.08Å; G11-T15 PolarHBondContact O-OG1 3.36Å |
| 12 | T | 51.3 | Low | 50.5 | Low | 62 Ų | 62 | 94.8 Ų | 94.8 | 38% | 0.38 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -72.8 | -40.2 | 174.9 | 52 | 0 | 0 | 0 | 0 | 111.9 | V8 L9 T15 I16 | V8-T12 WeakPolarHBondContact O-CG2 3.47Å; V8-T12 PolarHBondContact O-N 3.1Å; V8-T12 PolarHBondContact O-OG1 3.16Å; L9-T12 WeakPolarHBondContact CA-OG1 3.42Å; L9-T12 PolarHBondContact O-OG1 2.79Å; L9-T12 VanDerWaalsContact O-OG1 3.04Å; T12-T15 VanDerWaalsContact CA-OG1 3.29Å; T12-T15 WeakPolarHBondContact CA-OG1 3.37Å; T12-T15 PolarHBondContact O-N 3.31Å; T12-T15 PolarHBondContact O-OG1 2.64Å; T12-I16 WeakPolarHBondContact O-CB 3.15Å; T12-I16 VanDerWaalsContact O-CD1 3.28Å; T12-I16 WeakPolarHBondContact O-CD1 3.39Å; T12-I16 WeakPolarHBondContact O-CG1 3.13Å; T12-I16 PolarHBondContact O-N 2.87Å |
| 13 | V | 45.6 | Very low | 51.8 | Low | 74 Ų | 74 | 91.3 Ų | 91.3 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.4 | -38.8 | 175.3 | 169.6 | 0 | 0 | 0 | 0 | 111.9 | L9 L10 I16 L17 | L9-V13 VanDerWaalsContact O-CB 3.25Å; L9-V13 WeakPolarHBondContact O-CB 3.34Å; L9-V13 WeakPolarHBondContact O-CG2 3.21Å; L9-V13 PolarHBondContact O-N 3.1Å; L10-V13 PolarHBondContact O-N 3.09Å; V13-I16 PolarHBondContact O-N 3.21Å; V13-L17 HydrophobicContact CG1-CD1 3.76Å; V13-L17 WeakPolarHBondContact O-CB 3.1Å; V13-L17 PolarHBondContact O-N 2.67Å |
| 14 | V | 45.3 | Very low | 53.5 | Low | 89 Ų | 89 | 93.6 Ų | 93.6 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.9 | -35.3 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | L10 | L10-V14 VanDerWaalsContact O-CB 3.3Å; L10-V14 WeakPolarHBondContact O-CB 3.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.45Å; L10-V14 PolarHBondContact O-N 3.27Å |
| 15 | T | 45.1 | Very low | 55.4 | Low | 104 Ų | 104 | 94.7 Ų | 94.7 | 64% | 0.638 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.8 | -27.5 | 175.2 | 42 | 0 | 0 | 0 | 0 | 113.1 | G11 T12 | G11-T15 WeakPolarHBondContact O-CB 3.35Å; G11-T15 WeakPolarHBondContact O-CG2 3.47Å; G11-T15 PolarHBondContact O-N 3.27Å; G11-T15 VanDerWaalsContact O-N 3.08Å; G11-T15 PolarHBondContact O-OG1 3.36Å; T12-T15 VanDerWaalsContact CA-OG1 3.29Å; T12-T15 WeakPolarHBondContact CA-OG1 3.37Å; T12-T15 PolarHBondContact O-N 3.31Å; T12-T15 PolarHBondContact O-OG1 2.64Å |
| 16 | I | 47.6 | Very low | 57.3 | Low | 138 Ų | 138 | 93.3 Ų | 93.3 | 71% | 0.708 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -75.7 | -29.5 | 173.3 | -65.4 | 161.6 | 0 | 0 | 0 | 111.5 | T12 V13 | T12-I16 WeakPolarHBondContact O-CB 3.15Å; T12-I16 VanDerWaalsContact O-CD1 3.28Å; T12-I16 WeakPolarHBondContact O-CD1 3.39Å; T12-I16 WeakPolarHBondContact O-CG1 3.13Å; T12-I16 PolarHBondContact O-N 2.87Å; V13-I16 PolarHBondContact O-N 3.21Å |
| 17 | L | 41.7 | Very low | 59 | Low | 127 Ų | 127 | 96.2 Ų | 96.2 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 4.6 | -177.3 | -84.2 | 162.4 | 0 | 0 | 0 | 115.7 | V13 | V13-L17 HydrophobicContact CG1-CD1 3.76Å; V13-L17 WeakPolarHBondContact O-CB 3.1Å; V13-L17 PolarHBondContact O-N 2.67Å |
| 18 | S | 40.2 | Very low | 60.7 | Low | 89 Ų | 89 | 92.3 Ų | 92.3 | 62% | 0.622 | 51% | 0.508 | S | S | * | . | trans | -139.2 | 40.5 | -171.9 | -62.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 19 | R | 43.2 | Very low | 62.2 | Low | 179 Ų | 179 | 89.7 Ų | 89.7 | 68% | 0.675 | 49% | 0.494 | S | S | * | . | trans | -114.9 | 47.2 | 146.2 | -74 | -170.3 | -178.8 | -173.1 | -2.3 | 110.5 | H21 | R19-H21 VanDerWaalsContact C-N 3.33Å; R19-H21 PolarHBondContact O-CD2 2.81Å; R19-H21 PolarHBondContact O-N 3.45Å; R19-H21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | S | 42.3 | Very low | 63.9 | Low | 102 Ų | 102 | 84.9 Ų | 84.9 | 71% | 0.713 | 47% | 0.47 | S | S | * | . | trans | -74.1 | 98.3 | 156.3 | 62.9 | 0 | 0 | 0 | 0 | 106.1 | A22 | S20-A22 PolarHBondContact O-N 3.36Å; S20-A22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | H | 55.6 | Low | 65.4 | Low | 77 Ų | 77 | 80.8 Ų | 80.8 | 36% | 0.356 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 119.2 | 171.4 | -66 | -93.1 | 0 | 0 | 0 | 107 | R19 D23 E46 | R19-H21 VanDerWaalsContact C-N 3.33Å; R19-H21 PolarHBondContact O-CD2 2.81Å; R19-H21 PolarHBondContact O-N 3.45Å; R19-H21 VanDerWaalsContact O-N 3.16Å; H21-D23 PolarHBondContact O-N 3.28Å; H21-E46 IonicContact CE1-OE1 3.4Å; H21-E46 PolarHBondContact CE1-OE1 3.1Å; H21-E46 IonicContact CE1-OE2 3.05Å; H21-E46 PolarHBondContact CE1-OE2 3.32Å; H21-E46 VanDerWaalsContact ND1-CD 3.34Å; H21-E46 IonicContact ND1-OE1 2.83Å; H21-E46 PolarHBondContact ND1-OE1 2.86Å; H21-E46 IonicContact ND1-OE2 2.78Å; H21-E46 PolarHBondContact ND1-OE2 3.06Å; H21-E46 IonicContact NE2-OE2 3.44Å |
| 22 | A | 61.7 | Low | 67.3 | Low | 88 Ų | 88 | 80.8 Ų | 80.8 | 73% | 0.727 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 126.9 | 180 | 0 | 0 | 0 | 0 | 0 | 108.5 | S20 R24 | S20-A22 PolarHBondContact O-N 3.36Å; S20-A22 VanDerWaalsContact O-N 3.09Å; A22-R24 PolarHBondContact O-N 3.05Å |
| 23 | D | 79.4 | Confident | 69.4 | Low | 79 Ų | 79 | 78.8 Ų | 78.8 | 42% | 0.422 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 126.6 | 174.8 | -70.3 | -14.2 | 0 | 0 | 0 | 109.3 | H21 N121 V123 | H21-D23 PolarHBondContact O-N 3.28Å; D23-N121 VanDerWaalsContact OD1-CB 3.3Å; D23-N121 WeakPolarHBondContact OD1-CB 3.37Å; D23-N121 PolarHBondContact OD1-ND2 3.24Å; D23-V123 HydrophobicContact CB-CG2 3.92Å |
| 24 | R | 86.9 | Confident | 71.7 | Confident | 126 Ų | 126 | 76.1 Ų | 76.1 | 48% | 0.475 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 118.3 | 179.9 | -170.1 | 167.9 | 179.8 | 171 | -3.4 | 108.9 | A22 N121 L122 V123 | A22-R24 PolarHBondContact O-N 3.05Å; R24-N121 PolarHBondContact N-O 2.85Å; R24-N121 VanDerWaalsContact N-O 3.11Å; R24-L122 HydrophobicContact CB-CD1 4.32Å; R24-L122 HydrophobicContact CG-CD1 4.42Å; R24-V123 PolarHBondContact O-N 3.41Å |
| 25 | N | 91.9 | Very high | 74.1 | Confident | 82 Ų | 82 | 74.3 Ų | 74.3 | 44% | 0.439 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.4 | 179.3 | -65.9 | -62.8 | 0 | 0 | 0 | 111.1 | Y27 V123 | N25-Y27 HydrophobicContact CB-CE2 4.05Å; N25-V123 CarbonylContact C-O 3.54Å; N25-V123 WeakPolarHBondContact CA-O 3.3Å; N25-V123 VanDerWaalsContact OD1-CB 3.25Å; N25-V123 WeakPolarHBondContact OD1-CB 3.41Å; N25-V123 WeakPolarHBondContact OD1-CG1 3.41Å |
| 26 | V | 93.8 | Very high | 76.4 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 149.9 | 172.5 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | P28 F34 L122 V123 I124 N125 | V26-P28 WeakPolarHBondContact O-CD 3.45Å; V26-F34 HydrophobicContact CB-CE2 4.33Å; V26-F34 HydrophobicContact CG2-CE2 3.96Å; V26-F34 HydrophobicContact CG2-CZ 3.92Å; V26-L122 HydrophobicContact CG1-CD1 3.83Å; V26-L122 HydrophobicContact CG2-CD1 3.93Å; V26-L122 HydrophobicContact CG2-CG 4.3Å; V26-V123 PolarHBondContact N-O 3.28Å; V26-I124 HydrophobicContact CG2-CB 4.1Å; V26-I124 HydrophobicContact CG2-CG1 3.72Å; V26-I124 HydrophobicContact CG2-CG2 4.2Å; V26-N125 PolarHBondContact O-N 3.41Å |
| 27 | Y | 93.6 | Very high | 78.7 | Confident | 137 Ų | 137 | 66.9 Ų | 66.9 | 54% | 0.537 | 36% | 0.364 | S | S | . | . | trans | -127 | 68 | -170.3 | -58.3 | -87.7 | 0 | 0 | 0 | 112.2 | N25 N125 | N25-Y27 HydrophobicContact CB-CE2 4.05Å; Y27-N125 VanDerWaalsContact CA-O 3.31Å; Y27-N125 WeakPolarHBondContact CA-O 3.31Å; Y27-N125 HydrophobicContact CD1-CB 3.58Å; Y27-N125 HydrophobicContact CE1-CB 3.77Å; Y27-N125 WeakPolarHBondContact CE1-ND2 3.43Å | ||
| 28 | P | 92.7 | Very high | 81.2 | Confident | 13 Ų | 13 | 61 Ų | 61 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 157.1 | 176.6 | 29.7 | -34.9 | 0 | 0 | 0 | 112.1 | V26 F34 P94 I124 V126 M127 | V26-P28 WeakPolarHBondContact O-CD 3.45Å; P28-F34 HydrophobicContact CB-CB 3.98Å; P28-F34 HydrophobicContact CB-CD2 3.67Å; P28-F34 HydrophobicContact CB-CE2 4.42Å; P28-F34 HydrophobicContact CB-CG 4.04Å; P28-F34 HydrophobicContact CG-CD2 4.12Å; P28-F34 HydrophobicContact CG-CE2 4.49Å; P28-F34 HydrophobicContact CG-CG 4.44Å; P28-P94 HydrophobicContact CB-CG 4.4Å; P28-I124 HydrophobicContact CG-CG2 3.4Å; P28-I124 VanDerWaalsContact CG-CG2 3.4Å; P28-V126 HydrophobicContact CG-CG2 4.31Å; P28-V126 CarbonylContact O-C 3.57Å; P28-V126 WeakPolarHBondContact O-CA 3.29Å; P28-M127 PolarHBondContact O-N 2.89Å |
| 29 | S | 91.3 | Very high | 83.6 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 28% | 0.28 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -96.7 | 142.4 | 175.4 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | V32 T129 | S29-V32 PolarHBondContact O-N 2.82Å; S29-T129 WeakPolarHBondContact CB-OG1 3.48Å |
| 30 | A | 88.9 | Confident | 85.9 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 137.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V32 P94 V99 V126 M127 | A30-V32 VanDerWaalsContact C-N 3.28Å; A30-V32 PolarHBondContact O-N 3Å; A30-P94 WeakPolarHBondContact CA-O 3.44Å; A30-V99 HydrophobicContact CB-CG2 3.78Å; A30-V126 HydrophobicContact CB-CG1 4.05Å; A30-M127 PolarHBondContact N-O 2.83Å |
| 31 | G | 85.7 | Confident | 88.1 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 22% | 0.216 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 0.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | P94 F132 | G31-P94 PolarHBondContact N-O 3.47Å; G31-F132 VanDerWaalsContact O-CE1 3.31Å; G31-F132 WeakPolarHBondContact O-CE1 3.47Å |
| 32 | V | 90.4 | Very high | 89.6 | Confident | 37 Ų | 37 | 54.8 Ų | 54.8 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -108.5 | 142.1 | 175.7 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | S29 A30 F34 F132 | S29-V32 PolarHBondContact O-N 2.82Å; A30-V32 VanDerWaalsContact C-N 3.28Å; A30-V32 PolarHBondContact O-N 3Å; V32-F34 PolarHBondContact O-N 3.48Å; V32-F34 VanDerWaalsContact O-N 3.12Å; V32-F132 HydrophobicContact CG2-CD2 4.38Å; V32-F132 HydrophobicContact CG2-CE1 4.02Å; V32-F132 HydrophobicContact CG2-CE2 3.53Å; V32-F132 HydrophobicContact CG2-CZ 3.31Å |
| 33 | L | 93.5 | Very high | 90.9 | Very high | 19 Ų | 19 | 51 Ų | 51 | 10% | 0.099 | 26% | 0.256 | C | S | . | . | trans | -59.8 | 114.7 | 171.3 | -177.5 | 76.1 | 0 | 0 | 0 | 110.5 | V35 L151 L156 A174 I177 | L33-V35 HydrophobicContact CD2-CG2 3.82Å; L33-V35 HydrophobicContact CG-CG2 3.9Å; L33-L151 HydrophobicContact CD2-CD2 4.12Å; L33-L156 HydrophobicContact CD2-CD2 3.92Å; L33-A174 HydrophobicContact CB-CB 4.1Å; L33-A174 VanDerWaalsContact CB-O 3.31Å; L33-A174 WeakPolarHBondContact CB-O 3.4Å; L33-A174 HydrophobicContact CD2-CB 4.16Å; L33-A174 PolarHBondContact N-O 3.01Å; L33-I177 HydrophobicContact CD1-CB 4.37Å; L33-I177 HydrophobicContact CD1-CG1 4.23Å; L33-I177 HydrophobicContact CD2-CD1 3.43Å; L33-I177 VanDerWaalsContact CD2-CD1 3.43Å; L33-I177 HydrophobicContact CD2-CG1 3.75Å | ||
| 34 | F | 94.7 | Very high | 91.1 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 135.5 | 167.2 | 169.7 | -110.2 | 0 | 0 | 0 | 109.7 | V26 P28 V32 H36 W76 L77 Y91 G92 I124 | V26-F34 HydrophobicContact CB-CE2 4.33Å; V26-F34 HydrophobicContact CG2-CE2 3.96Å; V26-F34 HydrophobicContact CG2-CZ 3.92Å; P28-F34 HydrophobicContact CB-CB 3.98Å; P28-F34 HydrophobicContact CB-CD2 3.67Å; P28-F34 HydrophobicContact CB-CE2 4.42Å; P28-F34 HydrophobicContact CB-CG 4.04Å; P28-F34 HydrophobicContact CG-CD2 4.12Å; P28-F34 HydrophobicContact CG-CE2 4.49Å; P28-F34 HydrophobicContact CG-CG 4.44Å; V32-F34 PolarHBondContact O-N 3.48Å; V32-F34 VanDerWaalsContact O-N 3.12Å; F34-H36 HydrophobicContact CE1-CB 3.92Å; F34-H36 HydrophobicContact CE2-CB 4.05Å; F34-H36 HydrophobicContact CZ-CB 3.45Å; F34-H36 VanDerWaalsContact CZ-CB 3.45Å; F34-W76 HydrophobicContact CB-CZ3 4.42Å; F34-W76 HydrophobicContact CD1-CH2 4.27Å; F34-W76 HydrophobicContact CD1-CZ3 4.07Å; F34-L77 HydrophobicContact CD1-CD1 3.9Å; F34-L77 HydrophobicContact CE1-CD1 3.99Å; F34-Y91 CarbonylContact O-C 3.57Å; F34-Y91 WeakPolarHBondContact O-CA 3.49Å; F34-Y91 WeakPolarHBondContact O-CB 3.36Å; F34-G92 WeakPolarHBondContact CA-O 3.31Å; F34-G92 WeakPolarHBondContact CB-O 3.28Å; F34-G92 PolarHBondContact N-O 2.84Å; F34-G92 PolarHBondContact O-N 3.31Å; F34-I124 HydrophobicContact CE1-CD1 4.02Å; F34-I124 HydrophobicContact CZ-CD1 4.3Å |
| 35 | V | 95.5 | Very high | 90.8 | Very high | 51 Ų | 51 | 46.1 Ų | 46.1 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 128.7 | 174.6 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | L33 V89 L90 L151 | L33-V35 HydrophobicContact CD2-CG2 3.82Å; L33-V35 HydrophobicContact CG-CG2 3.9Å; V35-V89 HydrophobicContact CG1-CG1 3.65Å; V35-L90 CarbonylContact C-O 3.6Å; V35-L90 WeakPolarHBondContact CA-O 3.43Å; V35-L151 HydrophobicContact CG1-CB 4.41Å; V35-L151 HydrophobicContact CG1-CD2 4.25Å; V35-L151 HydrophobicContact CG2-CD2 3.68Å |
| 36 | H | 94.9 | Very high | 90.5 | Very high | 23 Ų | 23 | 44 Ų | 44 | 11% | 0.106 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 120.3 | 177.9 | -177.1 | 69.7 | 0 | 0 | 0 | 110.4 | F34 L90 | F34-H36 HydrophobicContact CE1-CB 3.92Å; F34-H36 HydrophobicContact CE2-CB 4.05Å; F34-H36 HydrophobicContact CZ-CB 3.45Å; F34-H36 VanDerWaalsContact CZ-CB 3.45Å; H36-L90 HydrophobicContact CB-CB 4.31Å; H36-L90 PolarHBondContact N-O 2.81Å; H36-L90 PolarHBondContact O-N 3.04Å |
| 37 | V | 94.3 | Very high | 90.1 | Very high | 63 Ų | 63 | 43.8 Ų | 43.8 | 38% | 0.382 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.7 | -179.1 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | E39 D87 | V37-E39 HydrophobicContact CG1-CG 4.27Å; V37-E39 PolarHBondContact O-N 3.07Å; V37-D87 HydrophobicContact CG1-CB 3.89Å |
| 38 | L | 94.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 87 | 171.1 | -55.2 | -177.3 | 0 | 0 | 0 | 108.1 | R40 F43 F63 T65 Y79 G88 L90 I107 | L38-R40 PolarHBondContact O-N 3.39Å; L38-F43 HydrophobicContact CB-CE2 4.42Å; L38-F63 HydrophobicContact CB-CD1 4.37Å; L38-F63 HydrophobicContact CB-CD2 4.35Å; L38-F63 HydrophobicContact CB-CE1 4.31Å; L38-F63 HydrophobicContact CB-CE2 4.28Å; L38-F63 HydrophobicContact CB-CG 4.39Å; L38-F63 HydrophobicContact CB-CZ 4.25Å; L38-F63 HydrophobicContact CD1-CB 3.94Å; L38-F63 HydrophobicContact CD1-CD1 4.25Å; L38-F63 HydrophobicContact CD1-CD2 4.41Å; L38-F63 HydrophobicContact CD1-CG 3.95Å; L38-T65 HydrophobicContact CD1-CG2 3.74Å; L38-Y79 HydrophobicContact CD1-CD2 4.45Å; L38-Y79 HydrophobicContact CD1-CE2 4.1Å; L38-G88 WeakPolarHBondContact CB-O 3.36Å; L38-G88 PolarHBondContact N-O 3.15Å; L38-G88 PolarHBondContact O-N 3.06Å; L38-L90 HydrophobicContact CD1-CD1 4.38Å; L38-L90 HydrophobicContact CD1-CG 4.31Å; L38-L90 HydrophobicContact CD2-CD1 4.19Å; L38-I107 HydrophobicContact CD1-CG2 4.05Å; L38-I107 HydrophobicContact CD2-CD1 3.66Å; L38-I107 HydrophobicContact CD2-CG1 4.42Å; L38-I107 HydrophobicContact CD2-CG2 4.38Å |
| 39 | E | 91.9 | Very high | 88.1 | Confident | 98 Ų | 98 | 45.7 Ų | 45.7 | 46% | 0.458 | 27% | 0.268 | S | S | . | . | trans | -64.8 | 117.9 | -178.6 | -67.6 | 171.6 | -163.1 | 0 | 0 | 110.9 | V37 E41 H42 F43 | V37-E39 HydrophobicContact CG1-CG 4.27Å; V37-E39 PolarHBondContact O-N 3.07Å; E39-E41 VanDerWaalsContact C-N 3.26Å; E39-E41 PolarHBondContact O-N 3.49Å; E39-H42 HydrophobicContact CB-CB 4.22Å; E39-H42 WeakPolarHBondContact O-CB 3.44Å; E39-H42 PolarHBondContact O-N 3.14Å; E39-H42 VanDerWaalsContact O-N 3.13Å; E39-F43 WeakPolarHBondContact O-CD2 3.26Å | ||
| 40 | R | 90.6 | Very high | 86.8 | Confident | 22 Ų | 22 | 49.8 Ų | 49.8 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.9 | -39.1 | -179.7 | -173.2 | -172.9 | 65.5 | 139.8 | -5.7 | 112.6 | L38 H42 F43 K44 N58 D59 I61 D87 | L38-R40 PolarHBondContact O-N 3.39Å; R40-H42 PolarHBondContact O-N 3.37Å; R40-F43 PolarHBondContact O-N 3.21Å; R40-K44 WeakPolarHBondContact O-CG 3.49Å; R40-K44 PolarHBondContact O-N 2.84Å; R40-N58 PolarHBondContact NH1-OD1 3.14Å; R40-D59 PolarHBondContact NH1-O 3.23Å; R40-I61 HydrophobicContact CG-CB 4Å; R40-I61 HydrophobicContact CG-CD1 3.52Å; R40-I61 HydrophobicContact CG-CG1 4.28Å; R40-D87 VanDerWaalsContact CB-OD1 3.31Å; R40-D87 WeakPolarHBondContact CB-OD1 3.12Å; R40-D87 PolarHBondContact N-OD1 2.82Å |
| 41 | E | 88.1 | Confident | 85.4 | Confident | 112 Ų | 112 | 55 Ų | 55 | 52% | 0.523 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62 | -31.4 | -179.5 | -58.1 | -52.5 | 140.7 | 0 | 0 | 112.4 | E39 K44 | E39-E41 VanDerWaalsContact C-N 3.26Å; E39-E41 PolarHBondContact O-N 3.49Å; E41-K44 IonicContact OE1-NZ 3.74Å; E41-K44 PolarHBondContact OE1-NZ 3.23Å; E41-K44 VanDerWaalsContact OE2-CD 3.29Å; E41-K44 WeakPolarHBondContact OE2-CD 3.45Å; E41-K44 IonicContact OE2-NZ 2.79Å; E41-K44 PolarHBondContact OE2-NZ 3.3Å |
| 42 | H | 88.8 | Confident | 84 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 39% | 0.394 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.9 | -50.6 | 175.5 | -176 | 67.4 | 0 | 0 | 0 | 111.5 | E39 R40 K44 G45 H120 | E39-H42 HydrophobicContact CB-CB 4.22Å; E39-H42 WeakPolarHBondContact O-CB 3.44Å; E39-H42 PolarHBondContact O-N 3.14Å; E39-H42 VanDerWaalsContact O-N 3.13Å; R40-H42 PolarHBondContact O-N 3.37Å; H42-K44 VanDerWaalsContact C-N 3.32Å; H42-K44 PolarHBondContact O-N 3.16Å; H42-G45 PolarHBondContact O-N 3.11Å; H42-H120 AromaticContact CD2-CE1 3.95Å; H42-H120 AromaticContact NE2-CE1 3.42Å; H42-H120 PolarHBondContact NE2-CE1 3.21Å; H42-H120 AromaticContact NE2-NE2 3.95Å |
| 43 | F | 87.1 | Confident | 82.3 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 4% | 0.039 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -72.7 | -24.1 | -177.8 | -69.3 | -97.9 | 0 | 0 | 0 | 113.1 | L38 E39 R40 G45 E46 F47 F63 I107 A109 H120 | L38-F43 HydrophobicContact CB-CE2 4.42Å; E39-F43 WeakPolarHBondContact O-CD2 3.26Å; R40-F43 PolarHBondContact O-N 3.21Å; F43-G45 VanDerWaalsContact C-N 3.27Å; F43-G45 PolarHBondContact O-N 3.21Å; F43-E46 WeakPolarHBondContact O-CB 3.35Å; F43-E46 PolarHBondContact O-N 3.3Å; F43-E46 VanDerWaalsContact O-N 3.1Å; F43-F47 WeakPolarHBondContact O-CD2 3.36Å; F43-F47 WeakPolarHBondContact O-CE2 3.49Å; F43-F63 HydrophobicContact CB-CE1 4.26Å; F43-F63 HydrophobicContact CD1-CE1 4.25Å; F43-F63 HydrophobicContact CD2-CD1 4.47Å; F43-F63 AromaticContact CD2-CE1 3.51Å; F43-F63 HydrophobicContact CD2-CE1 3.51Å; F43-F63 HydrophobicContact CD2-CZ 4.17Å; F43-F63 HydrophobicContact CE1-CE1 4.42Å; F43-F63 HydrophobicContact CE2-CD1 4.42Å; F43-F63 AromaticContact CE2-CE1 3.8Å; F43-F63 HydrophobicContact CE2-CE1 3.8Å; F43-F63 AromaticContact CG-CE1 3.77Å; F43-F63 HydrophobicContact CG-CE1 3.77Å; F43-F63 HydrophobicContact CZ-CD1 4.48Å; F43-F63 HydrophobicContact CZ-CE1 4.25Å; F43-I107 HydrophobicContact CE1-CG2 3.81Å; F43-I107 HydrophobicContact CZ-CB 4.42Å; F43-I107 HydrophobicContact CZ-CG2 3.63Å; F43-A109 HydrophobicContact CB-CB 3.82Å; F43-A109 HydrophobicContact CD1-CB 3.34Å; F43-A109 HydrophobicContact CE1-CB 4.01Å; F43-A109 HydrophobicContact CG-CB 3.75Å; F43-H120 AromaticContact CD1-CD2 3.52Å; F43-H120 AromaticContact CD1-NE2 3.63Å; F43-H120 HydrophobicContact CE1-CB 4.3Å; F43-H120 AromaticContact CE1-CD2 3.12Å; F43-H120 WeakPolarHBondContact CE1-CD2 3.5Å; F43-H120 AromaticContact CE1-CG 3.98Å; F43-H120 AromaticContact CE1-NE2 3.6Å; F43-H120 AromaticContact CZ-CD2 3.91Å |
| 44 | K | 84.8 | Confident | 80.6 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 15% | 0.152 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.1 | -39.7 | 173.5 | -81.5 | -179.3 | -173.7 | 171.2 | 0 | 113.1 | R40 E41 H42 E46 F47 S57 I61 | R40-K44 WeakPolarHBondContact O-CG 3.49Å; R40-K44 PolarHBondContact O-N 2.84Å; E41-K44 IonicContact OE1-NZ 3.74Å; E41-K44 PolarHBondContact OE1-NZ 3.23Å; E41-K44 VanDerWaalsContact OE2-CD 3.29Å; E41-K44 WeakPolarHBondContact OE2-CD 3.45Å; E41-K44 IonicContact OE2-NZ 2.79Å; E41-K44 PolarHBondContact OE2-NZ 3.3Å; H42-K44 VanDerWaalsContact C-N 3.32Å; H42-K44 PolarHBondContact O-N 3.16Å; K44-E46 PolarHBondContact O-N 2.9Å; K44-F47 PolarHBondContact O-N 3.32Å; K44-S57 PolarHBondContact NZ-O 2.79Å; K44-I61 HydrophobicContact CD-CD1 4.43Å; K44-I61 HydrophobicContact CG-CD1 3.42Å; K44-I61 VanDerWaalsContact CG-CD1 3.42Å |
| 45 | G | 81.1 | Confident | 79 | Confident | 68 Ų | 68 | 72.7 Ų | 72.7 | 70% | 0.701 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -13.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H42 F43 | H42-G45 PolarHBondContact O-N 3.11Å; F43-G45 VanDerWaalsContact C-N 3.27Å; F43-G45 PolarHBondContact O-N 3.21Å |
| 46 | E | 84.1 | Confident | 77.4 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 17% | 0.168 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -26.1 | -177.1 | -58.2 | -136.8 | 147 | 0 | 0 | 113.9 | H21 F43 K44 A118 H120 | H21-E46 IonicContact CE1-OE1 3.4Å; H21-E46 PolarHBondContact CE1-OE1 3.1Å; H21-E46 IonicContact CE1-OE2 3.05Å; H21-E46 PolarHBondContact CE1-OE2 3.32Å; H21-E46 VanDerWaalsContact ND1-CD 3.34Å; H21-E46 IonicContact ND1-OE1 2.83Å; H21-E46 PolarHBondContact ND1-OE1 2.86Å; H21-E46 IonicContact ND1-OE2 2.78Å; H21-E46 PolarHBondContact ND1-OE2 3.06Å; H21-E46 IonicContact NE2-OE2 3.44Å; F43-E46 WeakPolarHBondContact O-CB 3.35Å; F43-E46 PolarHBondContact O-N 3.3Å; F43-E46 VanDerWaalsContact O-N 3.1Å; K44-E46 PolarHBondContact O-N 2.9Å; E46-A118 HydrophobicContact CB-CB 3.76Å; E46-H120 IonicContact OE1-CE1 2.84Å; E46-H120 PolarHBondContact OE1-CE1 2.86Å; E46-H120 IonicContact OE1-ND1 2.71Å; E46-H120 IonicContact OE1-NE2 2.71Å; E46-H120 PolarHBondContact OE1-NE2 3.31Å; E46-H120 IonicContact OE2-CD2 2.96Å; E46-H120 PolarHBondContact OE2-CD2 3.33Å; E46-H120 IonicContact OE2-CE1 3.88Å; E46-H120 PolarHBondContact OE2-CE1 3.33Å; E46-H120 IonicContact OE2-NE2 2.79Å; E46-H120 PolarHBondContact OE2-NE2 2.97Å |
| 47 | F | 85.3 | Confident | 76.1 | Confident | 21 Ų | 21 | 76.2 Ų | 76.2 | 9% | 0.092 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -64.4 | 141.2 | 177 | -61.7 | -60.4 | 0 | 0 | 0 | 110.3 | F43 K44 I61 A109 N111 E116 A118 | F43-F47 WeakPolarHBondContact O-CD2 3.36Å; F43-F47 WeakPolarHBondContact O-CE2 3.49Å; K44-F47 PolarHBondContact O-N 3.32Å; F47-I61 HydrophobicContact CE2-CD1 3.7Å; F47-I61 HydrophobicContact CE2-CG1 3.97Å; F47-I61 HydrophobicContact CZ-CG1 4.43Å; F47-I61 HydrophobicContact CZ-CG2 4.49Å; F47-A109 HydrophobicContact CZ-CB 4.04Å; F47-N111 HydrophobicContact CD1-CB 4.46Å; F47-N111 HydrophobicContact CD2-CB 4.46Å; F47-N111 HydrophobicContact CE1-CB 4.11Å; F47-N111 HydrophobicContact CE2-CB 4.14Å; F47-N111 HydrophobicContact CZ-CB 3.96Å; F47-E116 HydrophobicContact CD1-CB 3.74Å; F47-E116 HydrophobicContact CE1-CB 4.36Å; F47-E116 WeakPolarHBondContact CE1-O 3.42Å; F47-E116 HydrophobicContact CG-CB 4.49Å; F47-A118 HydrophobicContact CD1-CB 4.2Å; F47-A118 HydrophobicContact CE1-CB 3.87Å; F47-A118 HydrophobicContact CZ-CB 4.36Å |
| 48 | P | 78.2 | Confident | 75.5 | Confident | 66 Ų | 66 | 77.5 Ų | 77.5 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | trans | -58.6 | 144.3 | 178 | 8.7 | -11.4 | 0 | 0 | 0 | 111.4 | Y50 E116 | P48-Y50 PolarHBondContact O-N 2.83Å; P48-E116 HydrophobicContact CG-CG 4.35Å; P48-E116 WeakPolarHBondContact CG-OE1 3.33Å | ||
| 49 | P | 67.9 | Low | 75.1 | Confident | 123 Ų | 123 | 78 Ų | 78 | 80% | 0.799 | 46% | 0.456 | S | S | * | . | trans | -65.6 | 108.3 | -178.8 | 25.5 | -32.7 | 0 | 0 | 0 | 109.9 | ||||
| 50 | Y | 63.3 | Low | 75.1 | Confident | 126 Ų | 126 | 74.7 Ų | 74.7 | 49% | 0.494 | 44% | 0.443 | S | S | . | . | trans | -96.9 | 124.7 | -178 | -151.2 | -84.9 | 0 | 0 | 0 | 111.5 | P48 K52 E116 | P48-Y50 PolarHBondContact O-N 2.83Å; Y50-K52 HydrophobicContact CD1-CB 4.18Å; Y50-K52 HydrophobicContact CD1-CD 4.03Å; Y50-K52 HydrophobicContact CD1-CG 3.81Å; Y50-K52 HydrophobicContact CE1-CD 3.57Å; Y50-K52 HydrophobicContact CE1-CG 3.7Å; Y50-K52 PolarHBondContact O-N 2.84Å; Y50-E116 WeakPolarHBondContact CD2-OE1 3.38Å | ||
| 51 | P | 58.8 | Low | 75.3 | Confident | 118 Ų | 118 | 73.7 Ų | 73.7 | 77% | 0.766 | 44% | 0.439 | S | S | * | . | trans | -82.7 | 81.4 | -178.9 | 32.3 | -32.9 | 0 | 0 | 0 | 110.2 | ||||
| 52 | K | 57.6 | Low | 75.6 | Confident | 141 Ų | 141 | 70.1 Ų | 70.1 | 61% | 0.613 | 43% | 0.425 | S | S | * | . | trans | -137.4 | 140.2 | 168.4 | -79.3 | -173 | 177.2 | 158.3 | 0 | 113.7 | Y50 G54 | Y50-K52 HydrophobicContact CD1-CB 4.18Å; Y50-K52 HydrophobicContact CD1-CD 4.03Å; Y50-K52 HydrophobicContact CD1-CG 3.81Å; Y50-K52 HydrophobicContact CE1-CD 3.57Å; Y50-K52 HydrophobicContact CE1-CG 3.7Å; Y50-K52 PolarHBondContact O-N 2.84Å; K52-G54 PolarHBondContact O-N 3.25Å; K52-G54 VanDerWaalsContact O-N 3.11Å | ||
| 53 | S | 53 | Low | 75.9 | Confident | 133 Ų | 133 | 66.7 Ų | 66.7 | 93% | 0.93 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -62 | 97 | 176 | 46 | 0 | 0 | 0 | 0 | 111.5 | ||
| 54 | G | 59.4 | Low | 76.3 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 46% | 0.464 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 170.8 | 148.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | K52 A56 | K52-G54 PolarHBondContact O-N 3.25Å; K52-G54 VanDerWaalsContact O-N 3.11Å; G54-A56 PolarHBondContact O-N 2.81Å |
| 55 | D | 61.4 | Low | 76.8 | Confident | 149 Ų | 149 | 68.4 Ų | 68.4 | 80% | 0.797 | 42% | 0.42 | S | S | * | . | trans | -63 | 95.4 | 178.9 | -71.3 | -29.8 | 0 | 0 | 0 | 110.1 | S57 N58 | D55-S57 PolarHBondContact O-N 2.94Å; D55-N58 PolarHBondContact O-N 3.32Å | ||
| 56 | A | 61.8 | Low | 77.5 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 50% | 0.496 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -59.1 | -6.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G54 N58 | G54-A56 PolarHBondContact O-N 2.81Å; A56-N58 VanDerWaalsContact C-N 3.27Å; A56-N58 PolarHBondContact O-N 3.12Å |
| 57 | S | 66.8 | Low | 78 | Confident | 89 Ų | 89 | 65.8 Ų | 65.8 | 62% | 0.622 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -60.5 | -29 | 175.7 | -175.4 | 0 | 0 | 0 | 0 | 113.5 | K44 D55 | K44-S57 PolarHBondContact NZ-O 2.79Å; D55-S57 PolarHBondContact O-N 2.94Å |
| 58 | N | 80.9 | Confident | 78.3 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -124.1 | 43.9 | -177 | -160.7 | 19.5 | 0 | 0 | 0 | 115.2 | R40 D55 A56 H85 | R40-N58 PolarHBondContact NH1-OD1 3.14Å; D55-N58 PolarHBondContact O-N 3.32Å; A56-N58 VanDerWaalsContact C-N 3.27Å; A56-N58 PolarHBondContact O-N 3.12Å; N58-H85 PolarHBondContact O-CE1 2.87Å; N58-H85 PolarHBondContact O-ND1 2.93Å; N58-H85 PolarHBondContact OD1-ND1 2.62Å |
| 59 | D | 86.8 | Confident | 78.7 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 7% | 0.07 | 43% | 0.427 | C | S | . | . | trans | -64.5 | 134.8 | 177.1 | -78.6 | 7.2 | 0 | 0 | 0 | 112.5 | R40 I61 N111 R113 | R40-D59 PolarHBondContact NH1-O 3.23Å; D59-I61 PolarHBondContact O-N 3.36Å; D59-N111 PolarHBondContact OD2-ND2 3.39Å; D59-R113 VanDerWaalsContact CG-NE 3.33Å; D59-R113 IonicContact OD1-CZ 2.97Å; D59-R113 IonicContact OD1-NE 2.81Å; D59-R113 PolarHBondContact OD1-NE 2.77Å; D59-R113 IonicContact OD1-NH1 3.97Å; D59-R113 IonicContact OD1-NH2 2.83Å; D59-R113 PolarHBondContact OD1-NH2 2.88Å; D59-R113 IonicContact OD2-CZ 3.43Å; D59-R113 IonicContact OD2-NE 3.3Å; D59-R113 PolarHBondContact OD2-NE 3.23Å; D59-R113 IonicContact OD2-NH2 2.75Å; D59-R113 PolarHBondContact OD2-NH2 2.65Å | ||
| 60 | P | 92.3 | Very high | 79.8 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | trans | -74.3 | 115.1 | 172.8 | 28.6 | -31.5 | 0 | 0 | 0 | 109.7 | P84 R112 R113 | P60-P84 CarbonylContact C-O 3.49Å; P60-P84 WeakPolarHBondContact CA-O 3.48Å; P60-P84 HydrophobicContact CB-CB 3.73Å; P60-R112 HydrophobicContact CB-CB 4.25Å; P60-R112 HydrophobicContact CG-CB 4.03Å; P60-R112 PolarHBondContact O-N 3.07Å; P60-R113 HydrophobicContact CG-CB 4.29Å | ||
| 61 | I | 93.1 | Very high | 81 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.9 | -178.7 | -66.3 | 159.7 | 0 | 0 | 0 | 108.9 | R40 K44 F47 D59 F63 Q81 P84 A109 Y110 N111 | R40-I61 HydrophobicContact CG-CB 4Å; R40-I61 HydrophobicContact CG-CD1 3.52Å; R40-I61 HydrophobicContact CG-CG1 4.28Å; K44-I61 HydrophobicContact CD-CD1 4.43Å; K44-I61 HydrophobicContact CG-CD1 3.42Å; K44-I61 VanDerWaalsContact CG-CD1 3.42Å; F47-I61 HydrophobicContact CE2-CD1 3.7Å; F47-I61 HydrophobicContact CE2-CG1 3.97Å; F47-I61 HydrophobicContact CZ-CG1 4.43Å; F47-I61 HydrophobicContact CZ-CG2 4.49Å; D59-I61 PolarHBondContact O-N 3.36Å; I61-F63 HydrophobicContact CG2-CE1 4.02Å; I61-F63 HydrophobicContact CG2-CE2 4.38Å; I61-F63 HydrophobicContact CG2-CZ 3.91Å; I61-Q81 PolarHBondContact O-NE2 2.7Å; I61-P84 PolarHBondContact N-O 3.29Å; I61-P84 CarbonylContact O-C 3.53Å; I61-A109 HydrophobicContact CG2-CB 4.09Å; I61-Y110 WeakPolarHBondContact CA-O 3.03Å; I61-N111 HydrophobicContact CG1-CB 4.49Å |
| 62 | T | 95.5 | Very high | 82.5 | Confident | 37 Ų | 37 | 62.2 Ų | 62.2 | 23% | 0.227 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 143 | 174.2 | 49.1 | 0 | 0 | 0 | 0 | 110.3 | P84 Y110 R112 | T62-P84 HydrophobicContact CG2-CB 4.05Å; T62-P84 HydrophobicContact CG2-CG 4.22Å; T62-Y110 PolarHBondContact N-O 2.95Å; T62-Y110 PolarHBondContact O-N 3.32Å; T62-R112 HydrophobicContact CG2-CG 4.18Å |
| 63 | F | 95.7 | Very high | 84.2 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 6% | 0.057 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.7 | 178.5 | -50.6 | -86.1 | 0 | 0 | 0 | 111.1 | L38 F43 I61 Y79 I107 T108 A109 | L38-F63 HydrophobicContact CB-CD1 4.37Å; L38-F63 HydrophobicContact CB-CD2 4.35Å; L38-F63 HydrophobicContact CB-CE1 4.31Å; L38-F63 HydrophobicContact CB-CE2 4.28Å; L38-F63 HydrophobicContact CB-CG 4.39Å; L38-F63 HydrophobicContact CB-CZ 4.25Å; L38-F63 HydrophobicContact CD1-CB 3.94Å; L38-F63 HydrophobicContact CD1-CD1 4.25Å; L38-F63 HydrophobicContact CD1-CD2 4.41Å; L38-F63 HydrophobicContact CD1-CG 3.95Å; F43-F63 HydrophobicContact CB-CE1 4.26Å; F43-F63 HydrophobicContact CD1-CE1 4.25Å; F43-F63 HydrophobicContact CD2-CD1 4.47Å; F43-F63 AromaticContact CD2-CE1 3.51Å; F43-F63 HydrophobicContact CD2-CE1 3.51Å; F43-F63 HydrophobicContact CD2-CZ 4.17Å; F43-F63 HydrophobicContact CE1-CE1 4.42Å; F43-F63 HydrophobicContact CE2-CD1 4.42Å; F43-F63 AromaticContact CE2-CE1 3.8Å; F43-F63 HydrophobicContact CE2-CE1 3.8Å; F43-F63 AromaticContact CG-CE1 3.77Å; F43-F63 HydrophobicContact CG-CE1 3.77Å; F43-F63 HydrophobicContact CZ-CD1 4.48Å; F43-F63 HydrophobicContact CZ-CE1 4.25Å; I61-F63 HydrophobicContact CG2-CE1 4.02Å; I61-F63 HydrophobicContact CG2-CE2 4.38Å; I61-F63 HydrophobicContact CG2-CZ 3.91Å; F63-Y79 HydrophobicContact CB-CE2 4Å; F63-Y79 WeakPolarHBondContact CB-OH 3.25Å; F63-Y79 PolarHBondContact N-OH 2.63Å; F63-Y79 PolarHBondContact O-OH 3.02Å; F63-I107 HydrophobicContact CD1-CG2 4.23Å; F63-T108 WeakPolarHBondContact CA-O 3.42Å; F63-A109 HydrophobicContact CD1-CB 3.73Å; F63-A109 HydrophobicContact CE1-CB 3.72Å |
| 64 | N | 95.1 | Very high | 86.1 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.1 | 160.8 | -164.9 | 13.7 | 0 | 0 | 0 | 108.5 | N66 I107 T108 | N64-N66 PolarHBondContact ND2-ND2 3.18Å; N64-N66 VanDerWaalsContact ND2-ND2 3.18Å; N64-N66 PolarHBondContact OD1-OD1 2.47Å; N64-N66 VanDerWaalsContact OD1-OD1 3.13Å; N64-I107 CarbonylContact O-C 3.42Å; N64-I107 WeakPolarHBondContact O-CA 3.32Å; N64-T108 PolarHBondContact N-O 3.48Å; N64-T108 PolarHBondContact O-N 3.18Å |
| 65 | T | 95.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 115.8 | -174.7 | 54.6 | 0 | 0 | 0 | 0 | 108.5 | L38 R73 Y79 L90 E106 I107 | L38-T65 HydrophobicContact CD1-CG2 3.74Å; T65-R73 VanDerWaalsContact O-CD 3.28Å; T65-R73 WeakPolarHBondContact O-CD 3.31Å; T65-R73 WeakPolarHBondContact O-CG 3.46Å; T65-R73 PolarHBondContact O-NH1 3.27Å; T65-R73 WeakPolarHBondContact OG1-CD 3.43Å; T65-Y79 HydrophobicContact CG2-CD2 4.22Å; T65-L90 HydrophobicContact CG2-CD1 4.15Å; T65-L90 HydrophobicContact CG2-CD2 3.99Å; T65-L90 HydrophobicContact CG2-CG 4.26Å; T65-E106 WeakPolarHBondContact CA-O 3.11Å; T65-I107 HydrophobicContact CG2-CG1 4.1Å; T65-I107 HydrophobicContact CG2-CG2 4.21Å |
| 66 | N | 94.8 | Very high | 88.9 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 11% | 0.112 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 153.1 | -173.5 | -49.8 | -44.4 | 0 | 0 | 0 | 110.1 | N64 K68 F70 P71 I105 E106 | N64-N66 PolarHBondContact ND2-ND2 3.18Å; N64-N66 VanDerWaalsContact ND2-ND2 3.18Å; N64-N66 PolarHBondContact OD1-OD1 2.47Å; N64-N66 VanDerWaalsContact OD1-OD1 3.13Å; N66-K68 PolarHBondContact O-N 2.82Å; N66-F70 WeakPolarHBondContact CB-O 3.32Å; N66-P71 PolarHBondContact OD1-O 3.44Å; N66-P71 VanDerWaalsContact OD1-O 3.13Å; N66-I105 CarbonylContact O-C 3.6Å; N66-I105 VanDerWaalsContact O-CA 3.3Å; N66-I105 WeakPolarHBondContact O-CA 3.49Å; N66-I105 WeakPolarHBondContact O-CG2 3.31Å; N66-E106 PolarHBondContact N-O 3.23Å; N66-E106 PolarHBondContact O-N 2.83Å |
| 67 | L | 94.3 | Very high | 90.4 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 134.5 | 167.4 | 179.7 | 67.4 | 0 | 0 | 0 | 108.7 | G69 F70 D72 P74 I105 I271 | L67-G69 PolarHBondContact O-N 2.84Å; L67-G69 VanDerWaalsContact O-N 3.13Å; L67-F70 HydrophobicContact CB-CB 4.22Å; L67-F70 HydrophobicContact CB-CD2 4.49Å; L67-F70 HydrophobicContact CD2-CB 4.49Å; L67-F70 HydrophobicContact CD2-CD2 3.69Å; L67-F70 HydrophobicContact CD2-CE2 4.25Å; L67-F70 HydrophobicContact CD2-CG 4.25Å; L67-F70 HydrophobicContact CG-CD2 3.96Å; L67-F70 PolarHBondContact O-N 3.32Å; L67-D72 VanDerWaalsContact CB-O 3.3Å; L67-D72 WeakPolarHBondContact CB-O 3.45Å; L67-D72 PolarHBondContact N-O 3.31Å; L67-P74 HydrophobicContact CD1-CG 4.23Å; L67-I105 HydrophobicContact CD1-CD1 4.3Å; L67-I271 HydrophobicContact CD2-CD1 3.65Å; L67-I271 HydrophobicContact CD2-CG1 4.44Å |
| 68 | K | 91.9 | Very high | 91.7 | Very high | 118 Ų | 118 | 44.6 Ų | 44.6 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 122 | -178 | -175.7 | 173.8 | -177.8 | 173.9 | 0 | 111 | N66 F70 V104 | N66-K68 PolarHBondContact O-N 2.82Å; K68-F70 WeakPolarHBondContact O-CD2 3.28Å; K68-V104 HydrophobicContact CB-CB 4.07Å; K68-V104 HydrophobicContact CB-CG1 4.19Å; K68-V104 WeakPolarHBondContact CB-O 3.4Å; K68-V104 HydrophobicContact CD-CB 4.21Å; K68-V104 HydrophobicContact CD-CG1 3.85Å; K68-V104 PolarHBondContact N-O 3.38Å |
| 69 | G | 88 | Confident | 92.3 | Very high | 74 Ų | 74 | 42.9 Ų | 42.9 | 76% | 0.763 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87 | -2.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L67 | L67-G69 PolarHBondContact O-N 2.84Å; L67-G69 VanDerWaalsContact O-N 3.13Å |
| 70 | F | 89.3 | Confident | 92.7 | Very high | 62 Ų | 62 | 44 Ų | 44 | 27% | 0.272 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -127 | 151.8 | -179 | -64 | -88.5 | 0 | 0 | 0 | 111 | N66 L67 K68 D72 I271 L272 E274 | N66-F70 WeakPolarHBondContact CB-O 3.32Å; L67-F70 HydrophobicContact CB-CB 4.22Å; L67-F70 HydrophobicContact CB-CD2 4.49Å; L67-F70 HydrophobicContact CD2-CB 4.49Å; L67-F70 HydrophobicContact CD2-CD2 3.69Å; L67-F70 HydrophobicContact CD2-CE2 4.25Å; L67-F70 HydrophobicContact CD2-CG 4.25Å; L67-F70 HydrophobicContact CG-CD2 3.96Å; L67-F70 PolarHBondContact O-N 3.32Å; K68-F70 WeakPolarHBondContact O-CD2 3.28Å; F70-D72 VanDerWaalsContact C-N 3.3Å; F70-I271 HydrophobicContact CB-CG2 3.95Å; F70-I271 HydrophobicContact CD1-CG2 3.32Å; F70-I271 HydrophobicContact CD2-CG2 4.43Å; F70-I271 HydrophobicContact CE1-CG2 3.89Å; F70-I271 HydrophobicContact CG-CG2 3.64Å; F70-L272 WeakPolarHBondContact CD1-O 3.38Å; F70-L272 WeakPolarHBondContact CE1-O 3.39Å; F70-E274 HydrophobicContact CE1-CB 4.46Å |
| 71 | P | 89.6 | Confident | 92.7 | Very high | 74 Ų | 74 | 44.5 Ų | 44.5 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -75 | -22.6 | 175.4 | 30.3 | -34.7 | 0 | 0 | 0 | 112.8 | N66 L272 | N66-P71 PolarHBondContact OD1-O 3.44Å; N66-P71 VanDerWaalsContact OD1-O 3.13Å; P71-L272 HydrophobicContact CG-CD1 4.24Å |
| 72 | D | 90.2 | Very high | 92.4 | Very high | 50 Ų | 50 | 50.5 Ų | 50.5 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -99.4 | 161.6 | -174 | -58 | -49.2 | 0 | 0 | 0 | 112.1 | L67 F70 L272 | L67-D72 VanDerWaalsContact CB-O 3.3Å; L67-D72 WeakPolarHBondContact CB-O 3.45Å; L67-D72 PolarHBondContact N-O 3.31Å; F70-D72 VanDerWaalsContact C-N 3.3Å; D72-L272 PolarHBondContact OD2-N 2.87Å |
| 73 | R | 92.9 | Very high | 92.2 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 32% | 0.317 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 161.1 | 168 | -72.7 | 169 | -68.9 | -73.3 | -3.7 | 110.2 | T65 G75 | T65-R73 VanDerWaalsContact O-CD 3.28Å; T65-R73 WeakPolarHBondContact O-CD 3.31Å; T65-R73 WeakPolarHBondContact O-CG 3.46Å; T65-R73 PolarHBondContact O-NH1 3.27Å; T65-R73 WeakPolarHBondContact OG1-CD 3.43Å; R73-G75 PolarHBondContact O-N 2.92Å |
| 74 | P | 92.3 | Very high | 92 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 137.1 | 164.6 | -21.5 | 33.7 | 0 | 0 | 0 | 110.6 | L67 W76 L77 I105 | L67-P74 HydrophobicContact CD1-CG 4.23Å; P74-W76 HydrophobicContact CB-CG 4.44Å; P74-W76 PolarHBondContact O-N 2.96Å; P74-L77 HydrophobicContact CB-CB 4.47Å; P74-L77 PolarHBondContact O-N 3.43Å; P74-I105 HydrophobicContact CG-CD1 3.87Å |
| 75 | G | 89 | Confident | 91.8 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 54% | 0.536 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -20.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.6 | R73 T269 | R73-G75 PolarHBondContact O-N 2.92Å; G75-T269 PolarHBondContact N-O 2.79Å |
| 76 | W | 90.5 | Very high | 91.6 | Very high | 20 Ų | 20 | 54 Ų | 54 | 8% | 0.076 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -17.9 | 175.6 | 68 | -94.6 | 0 | 0 | 0 | 113.9 | F34 P74 G92 S93 P94 H98 I124 | F34-W76 HydrophobicContact CB-CZ3 4.42Å; F34-W76 HydrophobicContact CD1-CH2 4.27Å; F34-W76 HydrophobicContact CD1-CZ3 4.07Å; P74-W76 HydrophobicContact CB-CG 4.44Å; P74-W76 PolarHBondContact O-N 2.96Å; W76-G92 VanDerWaalsContact O-CA 3.22Å; W76-G92 WeakPolarHBondContact O-CA 3.42Å; W76-S93 PolarHBondContact O-N 3.15Å; W76-P94 HydrophobicContact CD2-CB 4.14Å; W76-P94 HydrophobicContact CE3-CB 4.1Å; W76-P94 HydrophobicContact CH2-CB 4.23Å; W76-P94 HydrophobicContact CH2-CG 4.46Å; W76-P94 HydrophobicContact CZ2-CB 4.27Å; W76-P94 HydrophobicContact CZ3-CB 4.14Å; W76-P94 HydrophobicContact CZ3-CG 4.23Å; W76-H98 AromaticContact CD1-CD2 3.72Å; W76-H98 AromaticContact CD1-CE1 3.59Å; W76-H98 AromaticContact CD1-NE2 3.31Å; W76-H98 VanDerWaalsContact CD1-NE2 3.31Å; W76-H98 AromaticContact NE1-CD2 3.63Å; W76-H98 AromaticContact NE1-NE2 3.73Å; W76-I124 HydrophobicContact CH2-CD1 4.16Å; W76-I124 HydrophobicContact CH2-CG2 4.09Å; W76-I124 HydrophobicContact CZ2-CD1 4.46Å; W76-I124 HydrophobicContact CZ2-CG2 4.37Å |
| 77 | L | 93.8 | Very high | 91.6 | Very high | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 126.8 | -173 | -170.9 | 70.1 | 0 | 0 | 0 | 111.4 | F34 P74 L90 I105 I124 | F34-L77 HydrophobicContact CD1-CD1 3.9Å; F34-L77 HydrophobicContact CE1-CD1 3.99Å; P74-L77 HydrophobicContact CB-CB 4.47Å; P74-L77 PolarHBondContact O-N 3.43Å; L77-L90 HydrophobicContact CD1-CB 4.41Å; L77-L90 HydrophobicContact CD2-CD2 4.19Å; L77-L90 HydrophobicContact CG-CD2 4.27Å; L77-I105 HydrophobicContact CD2-CD1 3.91Å; L77-I105 HydrophobicContact CD2-CG1 3.88Å; L77-I124 HydrophobicContact CD2-CD1 4.12Å |
| 78 | R | 94 | Very high | 91.6 | Very high | 79 Ų | 79 | 54.7 Ų | 54.7 | 30% | 0.298 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 158.3 | 179.5 | -64 | -179.9 | -179.6 | 73.5 | 7.7 | 110.6 | L90 Y91 | R78-L90 WeakPolarHBondContact O-CA 3.47Å; R78-Y91 WeakPolarHBondContact CA-O 3.47Å; R78-Y91 HydrophobicContact CB-CD1 4.33Å; R78-Y91 HydrophobicContact CB-CE1 3.82Å; R78-Y91 HydrophobicContact CB-CE2 4.05Å; R78-Y91 PolarHBondContact N-O 3.23Å; R78-Y91 PolarHBondContact O-N 3.35Å |
| 79 | Y | 94.9 | Very high | 91.7 | Very high | 54 Ų | 54 | 49.7 Ų | 49.7 | 21% | 0.212 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136.2 | 177.5 | 168.4 | -106.6 | 0 | 0 | 0 | 109.1 | L38 F63 T65 Q81 V89 L90 | L38-Y79 HydrophobicContact CD1-CD2 4.45Å; L38-Y79 HydrophobicContact CD1-CE2 4.1Å; F63-Y79 HydrophobicContact CB-CE2 4Å; F63-Y79 WeakPolarHBondContact CB-OH 3.25Å; F63-Y79 PolarHBondContact N-OH 2.63Å; F63-Y79 PolarHBondContact O-OH 3.02Å; T65-Y79 HydrophobicContact CG2-CD2 4.22Å; Y79-Q81 HydrophobicContact CE1-CB 4.12Å; Y79-Q81 HydrophobicContact CE2-CB 4.25Å; Y79-Q81 WeakPolarHBondContact OH-CB 3.46Å; Y79-Q81 PolarHBondContact OH-OE1 2.85Å; Y79-V89 WeakPolarHBondContact CA-O 3.3Å; Y79-L90 HydrophobicContact CD2-CD2 4.26Å |
| 80 | I | 93.4 | Very high | 92.1 | Very high | 37 Ų | 37 | 46.2 Ų | 46.2 | 19% | 0.19 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 138.8 | 171.5 | -167.5 | 167.3 | 0 | 0 | 0 | 110.2 | V89 Y91 V147 L151 | I80-V89 HydrophobicContact CG2-CB 4.03Å; I80-V89 PolarHBondContact N-O 3.02Å; I80-V89 PolarHBondContact O-N 2.91Å; I80-Y91 HydrophobicContact CB-CE1 4.01Å; I80-Y91 HydrophobicContact CG2-CD1 4.11Å; I80-Y91 HydrophobicContact CG2-CE1 3.67Å; I80-V147 HydrophobicContact CD1-CB 3.86Å; I80-V147 HydrophobicContact CD1-CG1 4.18Å; I80-L151 HydrophobicContact CG2-CD1 4.34Å |
| 81 | Q | 93.8 | Very high | 92.4 | Very high | 37 Ų | 37 | 43.6 Ų | 43.6 | 17% | 0.173 | 23% | 0.227 | C | C | . | . | trans | -151.4 | 118.2 | 167.6 | -178.8 | -172.9 | 32.7 | 0 | 0 | 107.3 | I61 Y79 T83 G86 | I61-Q81 PolarHBondContact O-NE2 2.7Å; Y79-Q81 HydrophobicContact CE1-CB 4.12Å; Y79-Q81 HydrophobicContact CE2-CB 4.25Å; Y79-Q81 WeakPolarHBondContact OH-CB 3.46Å; Y79-Q81 PolarHBondContact OH-OE1 2.85Å; Q81-T83 WeakPolarHBondContact CG-O 3.38Å; Q81-T83 PolarHBondContact NE2-O 3.13Å; Q81-G86 PolarHBondContact NE2-O 2.96Å | ||
| 82 | R | 87.1 | Confident | 92.6 | Very high | 126 Ų | 126 | 40 Ų | 40 | 48% | 0.475 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -81.8 | -39.5 | -173.4 | -171.2 | 171.6 | -165.7 | 172.2 | 9.9 | 113.3 | N146 E148 E149 | R82-N146 PolarHBondContact NH1-ND2 3.49Å; R82-E148 WeakPolarHBondContact CB-OE2 3.12Å; R82-E149 IonicContact NH1-OE1 3.52Å; R82-E149 PolarHBondContact NH1-OE1 2.86Å |
| 83 | T | 90.4 | Very high | 92.6 | Very high | 65 Ų | 65 | 38.6 Ų | 38.6 | 40% | 0.399 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -130.4 | 148.9 | 178.5 | 75.3 | 0 | 0 | 0 | 0 | 110.2 | Q81 H85 G86 | Q81-T83 WeakPolarHBondContact CG-O 3.38Å; Q81-T83 PolarHBondContact NE2-O 3.13Å; T83-H85 PolarHBondContact O-N 2.94Å; T83-H85 PolarHBondContact OG1-N 3.24Å; T83-G86 PolarHBondContact O-N 2.99Å; T83-G86 VanDerWaalsContact O-N 3.08Å; T83-G86 PolarHBondContact OG1-N 2.93Å; T83-G86 VanDerWaalsContact OG1-N 3.14Å |
| 84 | P | 92.1 | Very high | 92.6 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 21% | 0.208 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -10.3 | 172.7 | -22.7 | 34.3 | 0 | 0 | 0 | 114.3 | P60 I61 T62 | P60-P84 CarbonylContact C-O 3.49Å; P60-P84 WeakPolarHBondContact CA-O 3.48Å; P60-P84 HydrophobicContact CB-CB 3.73Å; I61-P84 PolarHBondContact N-O 3.29Å; I61-P84 CarbonylContact O-C 3.53Å; T62-P84 HydrophobicContact CG2-CB 4.05Å; T62-P84 HydrophobicContact CG2-CG 4.22Å |
| 85 | H | 91.1 | Very high | 92.3 | Very high | 89 Ų | 89 | 37.4 Ų | 37.4 | 41% | 0.412 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -12.1 | 178.3 | -62.3 | -74.4 | 0 | 0 | 0 | 112.6 | N58 T83 | N58-H85 PolarHBondContact O-CE1 2.87Å; N58-H85 PolarHBondContact O-ND1 2.93Å; N58-H85 PolarHBondContact OD1-ND1 2.62Å; T83-H85 PolarHBondContact O-N 2.94Å; T83-H85 PolarHBondContact OG1-N 3.24Å |
| 86 | G | 91.1 | Very high | 92.1 | Very high | 18 Ų | 18 | 38.7 Ų | 38.7 | 19% | 0.186 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -92.9 | 166.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q81 T83 | Q81-G86 PolarHBondContact NE2-O 2.96Å; T83-G86 PolarHBondContact O-N 2.99Å; T83-G86 VanDerWaalsContact O-N 3.08Å; T83-G86 PolarHBondContact OG1-N 2.93Å; T83-G86 VanDerWaalsContact OG1-N 3.14Å |
| 87 | D | 93.2 | Very high | 91.9 | Very high | 65 Ų | 65 | 44.4 Ų | 44.4 | 35% | 0.348 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -71.5 | 154.8 | 174.9 | -63.6 | -34.8 | 0 | 0 | 0 | 111.1 | V37 R40 | V37-D87 HydrophobicContact CG1-CB 3.89Å; R40-D87 VanDerWaalsContact CB-OD1 3.31Å; R40-D87 WeakPolarHBondContact CB-OD1 3.12Å; R40-D87 PolarHBondContact N-OD1 2.82Å |
| 88 | G | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 150.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | L38 | L38-G88 WeakPolarHBondContact CB-O 3.36Å; L38-G88 PolarHBondContact N-O 3.15Å; L38-G88 PolarHBondContact O-N 3.06Å |
| 89 | V | 95.7 | Very high | 91.2 | Very high | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.4 | 174 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | V35 Y79 I80 L151 | V35-V89 HydrophobicContact CG1-CG1 3.65Å; Y79-V89 WeakPolarHBondContact CA-O 3.3Å; I80-V89 HydrophobicContact CG2-CB 4.03Å; I80-V89 PolarHBondContact N-O 3.02Å; I80-V89 PolarHBondContact O-N 2.91Å; V89-L151 HydrophobicContact CB-CD1 4.49Å; V89-L151 HydrophobicContact CG1-CD1 3.92Å |
| 90 | L | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.7 | 167.2 | -77.1 | 173.7 | 0 | 0 | 0 | 108.7 | V35 H36 L38 T65 L77 R78 Y79 I105 L122 | V35-L90 CarbonylContact C-O 3.6Å; V35-L90 WeakPolarHBondContact CA-O 3.43Å; H36-L90 HydrophobicContact CB-CB 4.31Å; H36-L90 PolarHBondContact N-O 2.81Å; H36-L90 PolarHBondContact O-N 3.04Å; L38-L90 HydrophobicContact CD1-CD1 4.38Å; L38-L90 HydrophobicContact CD1-CG 4.31Å; L38-L90 HydrophobicContact CD2-CD1 4.19Å; T65-L90 HydrophobicContact CG2-CD1 4.15Å; T65-L90 HydrophobicContact CG2-CD2 3.99Å; T65-L90 HydrophobicContact CG2-CG 4.26Å; L77-L90 HydrophobicContact CD1-CB 4.41Å; L77-L90 HydrophobicContact CD2-CD2 4.19Å; L77-L90 HydrophobicContact CG-CD2 4.27Å; R78-L90 WeakPolarHBondContact O-CA 3.47Å; Y79-L90 HydrophobicContact CD2-CD2 4.26Å; L90-I105 HydrophobicContact CD1-CG2 4.49Å; L90-L122 HydrophobicContact CD1-CD2 3.94Å |
| 91 | Y | 95.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 50 Ų | 50 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 154.5 | -178.7 | 69.7 | -78.5 | 0 | 0 | 0 | 111.9 | F34 R78 I80 V147 L151 I177 | F34-Y91 CarbonylContact O-C 3.57Å; F34-Y91 WeakPolarHBondContact O-CA 3.49Å; F34-Y91 WeakPolarHBondContact O-CB 3.36Å; R78-Y91 WeakPolarHBondContact CA-O 3.47Å; R78-Y91 HydrophobicContact CB-CD1 4.33Å; R78-Y91 HydrophobicContact CB-CE1 3.82Å; R78-Y91 HydrophobicContact CB-CE2 4.05Å; R78-Y91 PolarHBondContact N-O 3.23Å; R78-Y91 PolarHBondContact O-N 3.35Å; I80-Y91 HydrophobicContact CB-CE1 4.01Å; I80-Y91 HydrophobicContact CG2-CD1 4.11Å; I80-Y91 HydrophobicContact CG2-CE1 3.67Å; Y91-V147 HydrophobicContact CE1-CG1 3.99Å; Y91-V147 HydrophobicContact CE2-CG1 3.93Å; Y91-L151 HydrophobicContact CD1-CD1 3.48Å; Y91-L151 VanDerWaalsContact CD1-CD1 3.48Å; Y91-L151 HydrophobicContact CD2-CD1 4.02Å; Y91-L151 HydrophobicContact CD2-CD2 4.18Å; Y91-L151 HydrophobicContact CE1-CD1 3.97Å; Y91-L151 HydrophobicContact CE2-CD1 4.44Å; Y91-L151 HydrophobicContact CG-CD1 3.52Å; Y91-L151 HydrophobicContact CG-CD2 4.04Å; Y91-L151 HydrophobicContact CG-CG 4.46Å; Y91-I177 WeakPolarHBondContact CE2-O 3.19Å |
| 92 | G | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.5 | -179.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F34 W76 | F34-G92 WeakPolarHBondContact CA-O 3.31Å; F34-G92 WeakPolarHBondContact CB-O 3.28Å; F34-G92 PolarHBondContact N-O 2.84Å; F34-G92 PolarHBondContact O-N 3.31Å; W76-G92 VanDerWaalsContact O-CA 3.22Å; W76-G92 WeakPolarHBondContact O-CA 3.42Å |
| 93 | S | 91.1 | Very high | 90.5 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | trans | -133.1 | 106.7 | -170.7 | -50.3 | 0 | 0 | 0 | 0 | 109.9 | W76 I175 | W76-S93 PolarHBondContact O-N 3.15Å; S93-I175 WeakPolarHBondContact CB-O 3.48Å; S93-I175 PolarHBondContact OG-O 2.75Å | ||
| 94 | P | 91.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | trans | -70.2 | 139.6 | -179.2 | 27.9 | -31.5 | 0 | 0 | 0 | 110.2 | P28 A30 G31 W76 H98 V126 | P28-P94 HydrophobicContact CB-CG 4.4Å; A30-P94 WeakPolarHBondContact CA-O 3.44Å; G31-P94 PolarHBondContact N-O 3.47Å; W76-P94 HydrophobicContact CD2-CB 4.14Å; W76-P94 HydrophobicContact CE3-CB 4.1Å; W76-P94 HydrophobicContact CH2-CB 4.23Å; W76-P94 HydrophobicContact CH2-CG 4.46Å; W76-P94 HydrophobicContact CZ2-CB 4.27Å; W76-P94 HydrophobicContact CZ3-CB 4.14Å; W76-P94 HydrophobicContact CZ3-CG 4.23Å; P94-H98 HydrophobicContact CB-CB 4.39Å; P94-V126 HydrophobicContact CB-CB 4.44Å; P94-V126 HydrophobicContact CB-CG1 3.83Å; P94-V126 HydrophobicContact CB-CG2 3.68Å; P94-V126 HydrophobicContact CG-CG1 3.93Å; P94-V126 HydrophobicContact CG-CG2 4.1Å | ||
| 95 | T | 86.5 | Confident | 90.9 | Very high | 64 Ų | 64 | 44.3 Ų | 44.3 | 39% | 0.393 | 27% | 0.265 | S | S | . | . | trans | -88.5 | 169.3 | 174.7 | 65.4 | 0 | 0 | 0 | 0 | 111.5 | E97 H98 | T95-E97 PolarHBondContact O-N 2.97Å; T95-E97 VanDerWaalsContact O-N 3.09Å; T95-H98 PolarHBondContact N-ND1 2.89Å; T95-H98 WeakPolarHBondContact O-CB 3.35Å; T95-H98 PolarHBondContact O-N 3.1Å; T95-H98 VanDerWaalsContact O-N 3.07Å; T95-H98 PolarHBondContact O-ND1 3.35Å; T95-H98 PolarHBondContact OG1-CE1 2.96Å; T95-H98 PolarHBondContact OG1-ND1 3.12Å | ||
| 96 | A | 85.6 | Confident | 91.1 | Very high | 80 Ų | 80 | 42.1 Ų | 42.1 | 66% | 0.661 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -56 | -25.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H98 V99 | A96-H98 PolarHBondContact O-N 3.47Å; A96-V99 WeakPolarHBondContact O-CB 3.15Å; A96-V99 WeakPolarHBondContact O-CG2 3.22Å; A96-V99 PolarHBondContact O-N 3.14Å |
| 97 | E | 86.1 | Confident | 91.3 | Very high | 140 Ų | 140 | 41.5 Ų | 41.5 | 65% | 0.654 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -67.4 | -20.4 | 179.1 | -60.1 | 179.8 | 177 | 0 | 0 | 114.2 | T95 K101 | T95-E97 PolarHBondContact O-N 2.97Å; T95-E97 VanDerWaalsContact O-N 3.09Å; E97-K101 PolarHBondContact O-NZ 3.04Å |
| 98 | H | 86 | Confident | 91.3 | Very high | 47 Ų | 47 | 39.6 Ų | 39.6 | 22% | 0.218 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -91.8 | -8.7 | -178.6 | -57.5 | 94.9 | 0 | 0 | 0 | 112.5 | W76 P94 T95 A96 G100 K101 V126 | W76-H98 AromaticContact CD1-CD2 3.72Å; W76-H98 AromaticContact CD1-CE1 3.59Å; W76-H98 AromaticContact CD1-NE2 3.31Å; W76-H98 VanDerWaalsContact CD1-NE2 3.31Å; W76-H98 AromaticContact NE1-CD2 3.63Å; W76-H98 AromaticContact NE1-NE2 3.73Å; P94-H98 HydrophobicContact CB-CB 4.39Å; T95-H98 PolarHBondContact N-ND1 2.89Å; T95-H98 WeakPolarHBondContact O-CB 3.35Å; T95-H98 PolarHBondContact O-N 3.1Å; T95-H98 VanDerWaalsContact O-N 3.07Å; T95-H98 PolarHBondContact O-ND1 3.35Å; T95-H98 PolarHBondContact OG1-CE1 2.96Å; T95-H98 PolarHBondContact OG1-ND1 3.12Å; A96-H98 PolarHBondContact O-N 3.47Å; H98-G100 PolarHBondContact O-N 3.44Å; H98-K101 PolarHBondContact O-N 2.69Å; H98-V126 HydrophobicContact CB-CB 4.46Å; H98-V126 HydrophobicContact CB-CG2 4.04Å |
| 99 | V | 87.8 | Confident | 91.4 | Very high | 50 Ų | 50 | 39.6 Ų | 39.6 | 30% | 0.303 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 133.7 | -178.9 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | A30 A96 K101 V126 A128 | A30-V99 HydrophobicContact CB-CG2 3.78Å; A96-V99 WeakPolarHBondContact O-CB 3.15Å; A96-V99 WeakPolarHBondContact O-CG2 3.22Å; A96-V99 PolarHBondContact O-N 3.14Å; V99-K101 PolarHBondContact O-N 3.21Å; V99-K101 VanDerWaalsContact O-N 3.16Å; V99-V126 HydrophobicContact CG2-CG1 4.06Å; V99-A128 HydrophobicContact CG1-CB 3.68Å |
| 100 | G | 84.1 | Confident | 91.3 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 70% | 0.701 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71 | 2.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | H98 V126 | H98-G100 PolarHBondContact O-N 3.44Å; G100-V126 PolarHBondContact N-O 3.49Å; G100-V126 VanDerWaalsContact N-O 3.1Å |
| 101 | K | 87.1 | Confident | 91.1 | Very high | 129 Ų | 129 | 42.7 Ų | 42.7 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | trans | -103.5 | 109.8 | 174.2 | -65.7 | 175.5 | -173.2 | 158 | 0 | 109.5 | E97 H98 V99 T103 | E97-K101 PolarHBondContact O-NZ 3.04Å; H98-K101 PolarHBondContact O-N 2.69Å; V99-K101 PolarHBondContact O-N 3.21Å; V99-K101 VanDerWaalsContact O-N 3.16Å; K101-T103 PolarHBondContact O-N 2.97Å | ||
| 102 | P | 89.1 | Confident | 90.9 | Very high | 84 Ų | 84 | 49 Ų | 49 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 123.4 | 176.1 | 27 | -33 | 0 | 0 | 0 | 109.6 | V123 N125 | P102-V123 HydrophobicContact CB-CG1 4.41Å; P102-N125 WeakPolarHBondContact CB-OD1 3.44Å |
| 103 | T | 92.3 | Very high | 90.6 | Very high | 20 Ų | 20 | 53.9 Ų | 53.9 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.6 | 174.2 | 49.6 | 0 | 0 | 0 | 0 | 109.2 | K101 I124 | K101-T103 PolarHBondContact O-N 2.97Å; T103-I124 PolarHBondContact N-O 2.98Å; T103-I124 PolarHBondContact O-N 3.46Å; T103-I124 WeakPolarHBondContact OG1-CB 3.39Å; T103-I124 PolarHBondContact OG1-O 3.11Å |
| 104 | V | 95.3 | Very high | 90.4 | Very high | 35 Ų | 35 | 54.4 Ų | 54.4 | 21% | 0.212 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 115.2 | -176.6 | -171.6 | 0 | 0 | 0 | 0 | 109.3 | K68 N121 L122 V123 | K68-V104 HydrophobicContact CB-CB 4.07Å; K68-V104 HydrophobicContact CB-CG1 4.19Å; K68-V104 WeakPolarHBondContact CB-O 3.4Å; K68-V104 HydrophobicContact CD-CB 4.21Å; K68-V104 HydrophobicContact CD-CG1 3.85Å; K68-V104 PolarHBondContact N-O 3.38Å; V104-N121 HydrophobicContact CG1-CB 3.94Å; V104-L122 CarbonylContact C-O 3.58Å; V104-L122 WeakPolarHBondContact CA-O 3.34Å; V104-V123 HydrophobicContact CG1-CG2 4.28Å; V104-V123 HydrophobicContact CG2-CG2 4.23Å |
| 105 | I | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.2 | 177.4 | -53.7 | -56.6 | 0 | 0 | 0 | 108.9 | N66 L67 P74 L77 L90 I107 N121 L122 I124 | N66-I105 CarbonylContact O-C 3.6Å; N66-I105 VanDerWaalsContact O-CA 3.3Å; N66-I105 WeakPolarHBondContact O-CA 3.49Å; N66-I105 WeakPolarHBondContact O-CG2 3.31Å; L67-I105 HydrophobicContact CD1-CD1 4.3Å; P74-I105 HydrophobicContact CG-CD1 3.87Å; L77-I105 HydrophobicContact CD2-CD1 3.91Å; L77-I105 HydrophobicContact CD2-CG1 3.88Å; L90-I105 HydrophobicContact CD1-CG2 4.49Å; I105-I107 HydrophobicContact CG2-CG1 4.3Å; I105-N121 WeakPolarHBondContact O-CA 3.33Å; I105-L122 HydrophobicContact CB-CB 4.37Å; I105-L122 PolarHBondContact N-O 2.83Å; I105-L122 PolarHBondContact O-N 2.93Å; I105-I124 HydrophobicContact CG1-CD1 3.8Å; I105-I124 HydrophobicContact CG1-CG1 4.48Å |
| 106 | E | 95.1 | Very high | 90.5 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 116.8 | 170.3 | -173.6 | 177.3 | -169.6 | 0 | 0 | 108.7 | T65 N66 R119 | T65-E106 WeakPolarHBondContact CA-O 3.11Å; N66-E106 PolarHBondContact N-O 3.23Å; N66-E106 PolarHBondContact O-N 2.83Å; E106-R119 WeakPolarHBondContact OE1-CD 3.49Å; E106-R119 IonicContact OE1-CZ 3.07Å; E106-R119 IonicContact OE1-NE 3.69Å; E106-R119 IonicContact OE1-NH1 2.82Å; E106-R119 PolarHBondContact OE1-NH1 3.34Å |
| 107 | I | 95.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 114.9 | 176.7 | -57 | 159.8 | 0 | 0 | 0 | 107.4 | L38 F43 F63 N64 T65 I105 R119 H120 L122 | L38-I107 HydrophobicContact CD1-CG2 4.05Å; L38-I107 HydrophobicContact CD2-CD1 3.66Å; L38-I107 HydrophobicContact CD2-CG1 4.42Å; L38-I107 HydrophobicContact CD2-CG2 4.38Å; F43-I107 HydrophobicContact CE1-CG2 3.81Å; F43-I107 HydrophobicContact CZ-CB 4.42Å; F43-I107 HydrophobicContact CZ-CG2 3.63Å; F63-I107 HydrophobicContact CD1-CG2 4.23Å; N64-I107 CarbonylContact O-C 3.42Å; N64-I107 WeakPolarHBondContact O-CA 3.32Å; T65-I107 HydrophobicContact CG2-CG1 4.1Å; T65-I107 HydrophobicContact CG2-CG2 4.21Å; I105-I107 HydrophobicContact CG2-CG1 4.3Å; I107-R119 CarbonylContact O-C 3.59Å; I107-R119 WeakPolarHBondContact O-CA 3.36Å; I107-H120 PolarHBondContact N-O 3.4Å; I107-H120 PolarHBondContact O-N 2.83Å; I107-L122 HydrophobicContact CD1-CB 3.71Å; I107-L122 HydrophobicContact CD1-CD2 4.35Å |
| 108 | T | 94.5 | Very high | 91.1 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 16% | 0.16 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 110.2 | 173.7 | -57.3 | 0 | 0 | 0 | 0 | 109 | F63 N64 T117 A118 R119 | F63-T108 WeakPolarHBondContact CA-O 3.42Å; N64-T108 PolarHBondContact N-O 3.48Å; N64-T108 PolarHBondContact O-N 3.18Å; T108-T117 HydrophobicContact CG2-CG2 4.3Å; T108-A118 CarbonylContact C-O 3.55Å; T108-A118 WeakPolarHBondContact CA-O 3.11Å; T108-R119 HydrophobicContact CG2-CG 4.29Å |
| 109 | A | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 131.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | F43 F47 I61 F63 T117 A118 | F43-A109 HydrophobicContact CB-CB 3.82Å; F43-A109 HydrophobicContact CD1-CB 3.34Å; F43-A109 HydrophobicContact CE1-CB 4.01Å; F43-A109 HydrophobicContact CG-CB 3.75Å; F47-A109 HydrophobicContact CZ-CB 4.04Å; I61-A109 HydrophobicContact CG2-CB 4.09Å; F63-A109 HydrophobicContact CD1-CB 3.73Å; F63-A109 HydrophobicContact CE1-CB 3.72Å; A109-T117 CarbonylContact O-C 3.58Å; A109-T117 VanDerWaalsContact O-CA 3.24Å; A109-T117 WeakPolarHBondContact O-CA 3.42Å; A109-A118 HydrophobicContact CB-CB 4.49Å; A109-A118 PolarHBondContact N-O 3.38Å; A109-A118 PolarHBondContact O-N 3.24Å |
| 110 | Y | 93.9 | Very high | 91.5 | Very high | 75 Ų | 75 | 57.1 Ų | 57.1 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.4 | -179 | 172.9 | -109.2 | 0 | 0 | 0 | 110 | I61 T62 R112 F115 T117 | I61-Y110 WeakPolarHBondContact CA-O 3.03Å; T62-Y110 PolarHBondContact N-O 2.95Å; T62-Y110 PolarHBondContact O-N 3.32Å; Y110-R112 HydrophobicContact CD1-CG 3.91Å; Y110-R112 HydrophobicContact CE1-CB 4.3Å; Y110-R112 HydrophobicContact CE1-CG 3.89Å; Y110-R112 PolarHBondContact O-N 3.29Å; Y110-F115 HydrophobicContact CE2-CB 4.25Å; Y110-F115 HydrophobicContact CE2-CD1 4.42Å; Y110-F115 AromaticContact CZ-CD1 3.99Å; Y110-F115 WeakPolarHBondContact OH-CD1 3.1Å; Y110-F115 WeakPolarHBondContact OH-CE1 3.34Å; Y110-T117 HydrophobicContact CD2-CG2 3.76Å |
| 111 | N | 92.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 111.9 | 173.4 | -173.3 | -35.6 | 0 | 0 | 0 | 109.1 | F47 D59 I61 R113 T114 F115 E116 | F47-N111 HydrophobicContact CD1-CB 4.46Å; F47-N111 HydrophobicContact CD2-CB 4.46Å; F47-N111 HydrophobicContact CE1-CB 4.11Å; F47-N111 HydrophobicContact CE2-CB 4.14Å; F47-N111 HydrophobicContact CZ-CB 3.96Å; D59-N111 PolarHBondContact OD2-ND2 3.39Å; I61-N111 HydrophobicContact CG1-CB 4.49Å; N111-R113 PolarHBondContact O-N 2.99Å; N111-R113 WeakPolarHBondContact OD1-CA 3.09Å; N111-R113 WeakPolarHBondContact OD1-CB 3.41Å; N111-R113 PolarHBondContact OD1-N 3.32Å; N111-T114 WeakPolarHBondContact CB-OG1 3.44Å; N111-T114 PolarHBondContact ND2-OG1 3.36Å; N111-T114 PolarHBondContact OD1-N 3.5Å; N111-T114 VanDerWaalsContact OD1-N 3.13Å; N111-F115 VanDerWaalsContact O-CA 3.26Å; N111-F115 WeakPolarHBondContact O-CA 3.33Å; N111-F115 PolarHBondContact O-N 3.09Å; N111-E116 PolarHBondContact N-O 2.99Å |
| 112 | R | 91.2 | Very high | 92.3 | Very high | 140 Ų | 140 | 49.8 Ų | 49.8 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -15 | -177.1 | -59.1 | -173.6 | 70.4 | 172.2 | 2.9 | 113.3 | P60 T62 Y110 | P60-R112 HydrophobicContact CB-CB 4.25Å; P60-R112 HydrophobicContact CG-CB 4.03Å; P60-R112 PolarHBondContact O-N 3.07Å; T62-R112 HydrophobicContact CG2-CG 4.18Å; Y110-R112 HydrophobicContact CD1-CG 3.91Å; Y110-R112 HydrophobicContact CE1-CB 4.3Å; Y110-R112 HydrophobicContact CE1-CG 3.89Å; Y110-R112 PolarHBondContact O-N 3.29Å |
| 113 | R | 86.9 | Confident | 92.6 | Very high | 102 Ų | 102 | 46.5 Ų | 46.5 | 39% | 0.385 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -47.5 | 178.1 | -175.9 | -180 | 68.7 | 126.1 | 0.7 | 111.7 | D59 P60 N111 | D59-R113 VanDerWaalsContact CG-NE 3.33Å; D59-R113 IonicContact OD1-CZ 2.97Å; D59-R113 IonicContact OD1-NE 2.81Å; D59-R113 PolarHBondContact OD1-NE 2.77Å; D59-R113 IonicContact OD1-NH1 3.97Å; D59-R113 IonicContact OD1-NH2 2.83Å; D59-R113 PolarHBondContact OD1-NH2 2.88Å; D59-R113 IonicContact OD2-CZ 3.43Å; D59-R113 IonicContact OD2-NE 3.3Å; D59-R113 PolarHBondContact OD2-NE 3.23Å; D59-R113 IonicContact OD2-NH2 2.75Å; D59-R113 PolarHBondContact OD2-NH2 2.65Å; P60-R113 HydrophobicContact CG-CB 4.29Å; N111-R113 PolarHBondContact O-N 2.99Å; N111-R113 WeakPolarHBondContact OD1-CA 3.09Å; N111-R113 WeakPolarHBondContact OD1-CB 3.41Å; N111-R113 PolarHBondContact OD1-N 3.32Å |
| 114 | T | 87.5 | Confident | 92.8 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -11.4 | -175.5 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | N111 E116 | N111-T114 WeakPolarHBondContact CB-OG1 3.44Å; N111-T114 PolarHBondContact ND2-OG1 3.36Å; N111-T114 PolarHBondContact OD1-N 3.5Å; N111-T114 VanDerWaalsContact OD1-N 3.13Å; T114-E116 PolarHBondContact O-N 2.93Å; T114-E116 WeakPolarHBondContact OG1-CB 3.39Å; T114-E116 PolarHBondContact OG1-N 3.09Å; T114-E116 PolarHBondContact OG1-OE2 3.33Å |
| 115 | F | 89.6 | Confident | 92.7 | Very high | 144 Ų | 144 | 45.8 Ų | 45.8 | 63% | 0.632 | 21% | 0.207 | S | C | * | . | trans | 64.2 | 9.5 | -173.4 | -55.4 | -96.2 | 0 | 0 | 0 | 113.9 | Y110 N111 | Y110-F115 HydrophobicContact CE2-CB 4.25Å; Y110-F115 HydrophobicContact CE2-CD1 4.42Å; Y110-F115 AromaticContact CZ-CD1 3.99Å; Y110-F115 WeakPolarHBondContact OH-CD1 3.1Å; Y110-F115 WeakPolarHBondContact OH-CE1 3.34Å; N111-F115 VanDerWaalsContact O-CA 3.26Å; N111-F115 WeakPolarHBondContact O-CA 3.33Å; N111-F115 PolarHBondContact O-N 3.09Å | ||
| 116 | E | 89.8 | Confident | 92.5 | Very high | 35 Ų | 35 | 46 Ų | 46 | 16% | 0.164 | 21% | 0.209 | C | C | . | . | trans | -76.8 | 150.7 | 178.4 | -67.9 | 169.5 | 163.8 | 0 | 0 | 111 | F47 P48 Y50 N111 T114 | F47-E116 HydrophobicContact CD1-CB 3.74Å; F47-E116 HydrophobicContact CE1-CB 4.36Å; F47-E116 WeakPolarHBondContact CE1-O 3.42Å; F47-E116 HydrophobicContact CG-CB 4.49Å; P48-E116 HydrophobicContact CG-CG 4.35Å; P48-E116 WeakPolarHBondContact CG-OE1 3.33Å; Y50-E116 WeakPolarHBondContact CD2-OE1 3.38Å; N111-E116 PolarHBondContact N-O 2.99Å; T114-E116 PolarHBondContact O-N 2.93Å; T114-E116 WeakPolarHBondContact OG1-CB 3.39Å; T114-E116 PolarHBondContact OG1-N 3.09Å; T114-E116 PolarHBondContact OG1-OE2 3.33Å | ||
| 117 | T | 91.8 | Very high | 92.3 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 140.1 | 178.7 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | T108 A109 Y110 | T108-T117 HydrophobicContact CG2-CG2 4.3Å; A109-T117 CarbonylContact O-C 3.58Å; A109-T117 VanDerWaalsContact O-CA 3.24Å; A109-T117 WeakPolarHBondContact O-CA 3.42Å; Y110-T117 HydrophobicContact CD2-CG2 3.76Å |
| 118 | A | 91.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 7% | 0.066 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | E46 F47 T108 A109 | E46-A118 HydrophobicContact CB-CB 3.76Å; F47-A118 HydrophobicContact CD1-CB 4.2Å; F47-A118 HydrophobicContact CE1-CB 3.87Å; F47-A118 HydrophobicContact CZ-CB 4.36Å; T108-A118 CarbonylContact C-O 3.55Å; T108-A118 WeakPolarHBondContact CA-O 3.11Å; A109-A118 HydrophobicContact CB-CB 4.49Å; A109-A118 PolarHBondContact N-O 3.38Å; A109-A118 PolarHBondContact O-N 3.24Å |
| 119 | R | 90.9 | Very high | 91.2 | Very high | 150 Ų | 150 | 52.4 Ų | 52.4 | 57% | 0.566 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 133.6 | -174.5 | -64.1 | -173.1 | -173.8 | -160.7 | 8.6 | 110.8 | E106 I107 T108 | E106-R119 WeakPolarHBondContact OE1-CD 3.49Å; E106-R119 IonicContact OE1-CZ 3.07Å; E106-R119 IonicContact OE1-NE 3.69Å; E106-R119 IonicContact OE1-NH1 2.82Å; E106-R119 PolarHBondContact OE1-NH1 3.34Å; I107-R119 CarbonylContact O-C 3.59Å; I107-R119 WeakPolarHBondContact O-CA 3.36Å; T108-R119 HydrophobicContact CG2-CG 4.29Å |
| 120 | H | 91.6 | Very high | 89.8 | Confident | 22 Ų | 22 | 62 Ų | 62 | 10% | 0.102 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151.1 | 174 | -72.4 | -106.9 | 0 | 0 | 0 | 111.4 | H42 F43 E46 I107 | H42-H120 AromaticContact CD2-CE1 3.95Å; H42-H120 AromaticContact NE2-CE1 3.42Å; H42-H120 PolarHBondContact NE2-CE1 3.21Å; H42-H120 AromaticContact NE2-NE2 3.95Å; F43-H120 AromaticContact CD1-CD2 3.52Å; F43-H120 AromaticContact CD1-NE2 3.63Å; F43-H120 HydrophobicContact CE1-CB 4.3Å; F43-H120 AromaticContact CE1-CD2 3.12Å; F43-H120 WeakPolarHBondContact CE1-CD2 3.5Å; F43-H120 AromaticContact CE1-CG 3.98Å; F43-H120 AromaticContact CE1-NE2 3.6Å; F43-H120 AromaticContact CZ-CD2 3.91Å; E46-H120 IonicContact OE1-CE1 2.84Å; E46-H120 PolarHBondContact OE1-CE1 2.86Å; E46-H120 IonicContact OE1-ND1 2.71Å; E46-H120 IonicContact OE1-NE2 2.71Å; E46-H120 PolarHBondContact OE1-NE2 3.31Å; E46-H120 IonicContact OE2-CD2 2.96Å; E46-H120 PolarHBondContact OE2-CD2 3.33Å; E46-H120 IonicContact OE2-CE1 3.88Å; E46-H120 PolarHBondContact OE2-CE1 3.33Å; E46-H120 IonicContact OE2-NE2 2.79Å; E46-H120 PolarHBondContact OE2-NE2 2.97Å; I107-H120 PolarHBondContact N-O 3.4Å; I107-H120 PolarHBondContact O-N 2.83Å |
| 121 | N | 93.6 | Very high | 88.4 | Confident | 42 Ų | 42 | 63.2 Ų | 63.2 | 23% | 0.225 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.7 | 167.9 | -52.1 | -43.4 | 0 | 0 | 0 | 109.9 | D23 R24 V104 I105 | D23-N121 VanDerWaalsContact OD1-CB 3.3Å; D23-N121 WeakPolarHBondContact OD1-CB 3.37Å; D23-N121 PolarHBondContact OD1-ND2 3.24Å; R24-N121 PolarHBondContact N-O 2.85Å; R24-N121 VanDerWaalsContact N-O 3.11Å; V104-N121 HydrophobicContact CG1-CB 3.94Å; I105-N121 WeakPolarHBondContact O-CA 3.33Å |
| 122 | L | 95.1 | Very high | 87.3 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 117.9 | 167.3 | 177.3 | 72.1 | 0 | 0 | 0 | 108.3 | R24 V26 L90 V104 I105 I107 I124 | R24-L122 HydrophobicContact CB-CD1 4.32Å; R24-L122 HydrophobicContact CG-CD1 4.42Å; V26-L122 HydrophobicContact CG1-CD1 3.83Å; V26-L122 HydrophobicContact CG2-CD1 3.93Å; V26-L122 HydrophobicContact CG2-CG 4.3Å; L90-L122 HydrophobicContact CD1-CD2 3.94Å; V104-L122 CarbonylContact C-O 3.58Å; V104-L122 WeakPolarHBondContact CA-O 3.34Å; I105-L122 HydrophobicContact CB-CB 4.37Å; I105-L122 PolarHBondContact N-O 2.83Å; I105-L122 PolarHBondContact O-N 2.93Å; I107-L122 HydrophobicContact CD1-CB 3.71Å; I107-L122 HydrophobicContact CD1-CD2 4.35Å; L122-I124 HydrophobicContact CD2-CD1 4.16Å; L122-I124 HydrophobicContact CD2-CG1 4.1Å; L122-I124 HydrophobicContact CG-CG1 4.04Å |
| 123 | V | 95.3 | Very high | 86.6 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 113.8 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | D23 R24 N25 V26 P102 V104 | D23-V123 HydrophobicContact CB-CG2 3.92Å; R24-V123 PolarHBondContact O-N 3.41Å; N25-V123 CarbonylContact C-O 3.54Å; N25-V123 WeakPolarHBondContact CA-O 3.3Å; N25-V123 VanDerWaalsContact OD1-CB 3.25Å; N25-V123 WeakPolarHBondContact OD1-CB 3.41Å; N25-V123 WeakPolarHBondContact OD1-CG1 3.41Å; V26-V123 PolarHBondContact N-O 3.28Å; P102-V123 HydrophobicContact CB-CG1 4.41Å; V104-V123 HydrophobicContact CG1-CG2 4.28Å; V104-V123 HydrophobicContact CG2-CG2 4.23Å |
| 124 | I | 95.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.5 | -178.2 | -53.1 | 177.1 | 0 | 0 | 0 | 109 | V26 P28 F34 W76 L77 T103 I105 L122 V126 | V26-I124 HydrophobicContact CG2-CB 4.1Å; V26-I124 HydrophobicContact CG2-CG1 3.72Å; V26-I124 HydrophobicContact CG2-CG2 4.2Å; P28-I124 HydrophobicContact CG-CG2 3.4Å; P28-I124 VanDerWaalsContact CG-CG2 3.4Å; F34-I124 HydrophobicContact CE1-CD1 4.02Å; F34-I124 HydrophobicContact CZ-CD1 4.3Å; W76-I124 HydrophobicContact CH2-CD1 4.16Å; W76-I124 HydrophobicContact CH2-CG2 4.09Å; W76-I124 HydrophobicContact CZ2-CD1 4.46Å; W76-I124 HydrophobicContact CZ2-CG2 4.37Å; L77-I124 HydrophobicContact CD2-CD1 4.12Å; T103-I124 PolarHBondContact N-O 2.98Å; T103-I124 PolarHBondContact O-N 3.46Å; T103-I124 WeakPolarHBondContact OG1-CB 3.39Å; T103-I124 PolarHBondContact OG1-O 3.11Å; I105-I124 HydrophobicContact CG1-CD1 3.8Å; I105-I124 HydrophobicContact CG1-CG1 4.48Å; L122-I124 HydrophobicContact CD2-CD1 4.16Å; L122-I124 HydrophobicContact CD2-CG1 4.1Å; L122-I124 HydrophobicContact CG-CG1 4.04Å; I124-V126 HydrophobicContact CG2-CG2 4.45Å |
| 125 | N | 94.3 | Very high | 86.6 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 98.5 | -179.9 | -65.3 | -39.6 | 0 | 0 | 0 | 110 | V26 Y27 P102 M127 | V26-N125 PolarHBondContact O-N 3.41Å; Y27-N125 VanDerWaalsContact CA-O 3.31Å; Y27-N125 WeakPolarHBondContact CA-O 3.31Å; Y27-N125 HydrophobicContact CD1-CB 3.58Å; Y27-N125 HydrophobicContact CE1-CB 3.77Å; Y27-N125 WeakPolarHBondContact CE1-ND2 3.43Å; P102-N125 WeakPolarHBondContact CB-OD1 3.44Å; N125-M127 PolarHBondContact O-N 3.34Å |
| 126 | V | 92.6 | Very high | 86.8 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 122.1 | -178 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | P28 A30 P94 H98 V99 G100 I124 | P28-V126 HydrophobicContact CG-CG2 4.31Å; P28-V126 CarbonylContact O-C 3.57Å; P28-V126 WeakPolarHBondContact O-CA 3.29Å; A30-V126 HydrophobicContact CB-CG1 4.05Å; P94-V126 HydrophobicContact CB-CB 4.44Å; P94-V126 HydrophobicContact CB-CG1 3.83Å; P94-V126 HydrophobicContact CB-CG2 3.68Å; P94-V126 HydrophobicContact CG-CG1 3.93Å; P94-V126 HydrophobicContact CG-CG2 4.1Å; H98-V126 HydrophobicContact CB-CB 4.46Å; H98-V126 HydrophobicContact CB-CG2 4.04Å; V99-V126 HydrophobicContact CG2-CG1 4.06Å; G100-V126 PolarHBondContact N-O 3.49Å; G100-V126 VanDerWaalsContact N-O 3.1Å; I124-V126 HydrophobicContact CG2-CG2 4.45Å |
| 127 | M | 91.1 | Very high | 87 | Confident | 97 Ų | 97 | 53.3 Ų | 53.3 | 48% | 0.478 | 28% | 0.279 | S | S | . | . | B | Isolated β-bridge | trans | -88.5 | 144.3 | 176.2 | -56.7 | -144.1 | -62.8 | 0 | 0 | 111.3 | P28 A30 N125 | P28-M127 PolarHBondContact O-N 2.89Å; A30-M127 PolarHBondContact N-O 2.83Å; N125-M127 PolarHBondContact O-N 3.34Å |
| 128 | A | 86.5 | Confident | 87.2 | Confident | 74 Ų | 74 | 49.5 Ų | 49.5 | 61% | 0.612 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 142.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V99 | V99-A128 HydrophobicContact CG1-CB 3.68Š|
| 129 | T | 79.2 | Confident | 87.4 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 23% | 0.233 | 26% | 0.258 | C | S | . | . | trans | -130.6 | 117.3 | 171.6 | -44.8 | 0 | 0 | 0 | 0 | 107.9 | S29 E131 F132 | S29-T129 WeakPolarHBondContact CB-OG1 3.48Å; T129-E131 HydrophobicContact CG2-CB 4.08Å; T129-E131 HydrophobicContact CG2-CG 4.31Å; T129-E131 PolarHBondContact O-N 3.35Å; T129-E131 VanDerWaalsContact O-N 3.13Å; T129-F132 HydrophobicContact CG2-CD2 3.64Å; T129-F132 HydrophobicContact CG2-CE2 4.12Å | ||
| 130 | E | 66.2 | Low | 87.7 | Confident | 202 Ų | 202 | 43.2 Ų | 43.2 | 94% | 0.944 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -10.7 | 179.2 | -62.3 | -169.7 | 169.4 | 0 | 0 | 112.9 | ||
| 131 | E | 65.4 | Low | 87.8 | Confident | 99 Ų | 99 | 43.4 Ų | 43.4 | 46% | 0.463 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 7.5 | -171.5 | -46 | -172.1 | 142.7 | 0 | 0 | 113.3 | T129 R171 | T129-E131 HydrophobicContact CG2-CB 4.08Å; T129-E131 HydrophobicContact CG2-CG 4.31Å; T129-E131 PolarHBondContact O-N 3.35Å; T129-E131 VanDerWaalsContact O-N 3.13Å; E131-R171 VanDerWaalsContact CD-CZ 3.45Å; E131-R171 IonicContact OE1-CZ 3.22Å; E131-R171 IonicContact OE1-NH1 2.63Å; E131-R171 PolarHBondContact OE1-NH1 3.42Å; E131-R171 IonicContact OE1-NH2 3.02Å; E131-R171 PolarHBondContact OE1-NH2 3.37Å; E131-R171 IonicContact OE2-CZ 2.81Å; E131-R171 IonicContact OE2-NH1 3.86Å; E131-R171 PolarHBondContact OE2-NH1 2.93Å; E131-R171 IonicContact OE2-NH2 3.12Å |
| 132 | F | 69 | Low | 88 | Confident | 39 Ų | 39 | 41.4 Ų | 41.4 | 17% | 0.171 | 22% | 0.221 | C | C | . | . | trans | -126.8 | 149.9 | 179.9 | -80 | -91.4 | 0 | 0 | 0 | 111.9 | G31 V32 T129 L134 N173 | G31-F132 VanDerWaalsContact O-CE1 3.31Å; G31-F132 WeakPolarHBondContact O-CE1 3.47Å; V32-F132 HydrophobicContact CG2-CD2 4.38Å; V32-F132 HydrophobicContact CG2-CE1 4.02Å; V32-F132 HydrophobicContact CG2-CE2 3.53Å; V32-F132 HydrophobicContact CG2-CZ 3.31Å; T129-F132 HydrophobicContact CG2-CD2 3.64Å; T129-F132 HydrophobicContact CG2-CE2 4.12Å; F132-L134 HydrophobicContact CD1-CD1 4.47Å; F132-L134 HydrophobicContact CD1-CG 4.05Å; F132-L134 HydrophobicContact CE1-CD1 3.72Å; F132-L134 HydrophobicContact CE1-CG 3.79Å; F132-L134 HydrophobicContact CZ-CD1 4.06Å; F132-L134 HydrophobicContact CZ-CG 4.31Å; F132-N173 HydrophobicContact CE1-CB 4.41Å; F132-N173 HydrophobicContact CZ-CB 3.97Å; F132-N173 WeakPolarHBondContact CZ-ND2 3.44Å | ||
| 133 | P | 75.1 | Confident | 87.8 | Confident | 95 Ų | 95 | 46.1 Ų | 46.1 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | S | Bend | cis | -77 | 145.6 | 3.8 | 31.1 | -34.7 | 0 | 0 | 0 | 113.2 | I254 | P133-I254 HydrophobicContact CB-CD1 4.2Š|
| 134 | L | 86.7 | Confident | 87.7 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | -67.1 | 127.1 | 171.2 | -69.6 | 172.2 | 0 | 0 | 0 | 109.3 | F132 Y136 N173 G203 D205 I254 | F132-L134 HydrophobicContact CD1-CD1 4.47Å; F132-L134 HydrophobicContact CD1-CG 4.05Å; F132-L134 HydrophobicContact CE1-CD1 3.72Å; F132-L134 HydrophobicContact CE1-CG 3.79Å; F132-L134 HydrophobicContact CZ-CD1 4.06Å; F132-L134 HydrophobicContact CZ-CG 4.31Å; L134-Y136 VanDerWaalsContact C-N 3.34Å; L134-Y136 PolarHBondContact O-N 2.91Å; L134-N173 HydrophobicContact CD1-CB 4.3Å; L134-G203 VanDerWaalsContact CD1-O 3.28Å; L134-G203 WeakPolarHBondContact CD1-O 3.43Å; L134-D205 HydrophobicContact CD2-CB 4.29Å; L134-I254 WeakPolarHBondContact O-CD1 3.44Å | ||
| 135 | P | 88.7 | Confident | 87.6 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 20% | 0.195 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -68.4 | -29.8 | -166.8 | 24.9 | -34.5 | 0 | 0 | 0 | 113.9 | A204 I254 N255 | P135-A204 WeakPolarHBondContact CD-O 3.14Å; P135-I254 WeakPolarHBondContact O-CG1 3.48Å; P135-I254 PolarHBondContact O-N 2.9Å; P135-N255 WeakPolarHBondContact CB-ND2 3.39Å |
| 136 | Y | 93.1 | Very high | 87.4 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.2 | 179.6 | -57.2 | -79.2 | 0 | 0 | 0 | 109.9 | L134 G203 A204 V206 P207 F208 D253 | L134-Y136 VanDerWaalsContact C-N 3.34Å; L134-Y136 PolarHBondContact O-N 2.91Å; Y136-G203 CarbonylContact O-C 3.36Å; Y136-G203 WeakPolarHBondContact O-CA 3.45Å; Y136-A204 PolarHBondContact N-O 3.45Å; Y136-A204 PolarHBondContact O-N 2.99Å; Y136-V206 WeakPolarHBondContact CD2-O 3.32Å; Y136-P207 HydrophobicContact CE1-CB 4.18Å; Y136-P207 HydrophobicContact CE1-CG 4.38Å; Y136-P207 HydrophobicContact CE2-CB 4.34Å; Y136-P207 HydrophobicContact CE2-CG 3.92Å; Y136-F208 HydrophobicContact CD1-CD2 4.48Å; Y136-F208 HydrophobicContact CD1-CE2 4.07Å; Y136-F208 HydrophobicContact CD1-CZ 4.31Å; Y136-D253 HydrophobicContact CD1-CB 4.06Å; Y136-D253 HydrophobicContact CE1-CB 4.07Å; Y136-D253 VanDerWaalsContact CE1-CG 3.45Å; Y136-D253 WeakPolarHBondContact CE1-OD2 3.38Å |
| 137 | Q | 94.2 | Very high | 87.5 | Confident | 36 Ų | 36 | 46.9 Ų | 46.9 | 17% | 0.168 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.2 | 179.2 | -57.3 | -172.5 | 1.4 | 0 | 0 | 110.1 | I175 M201 V202 F208 V252 I254 | Q137-I175 HydrophobicContact CB-CD1 4.43Å; Q137-I175 VanDerWaalsContact CD-CD1 3.4Å; Q137-I175 HydrophobicContact CG-CD1 3.58Å; Q137-M201 PolarHBondContact OE1-SD 3.01Å; Q137-M201 VanDerWaalsContact OE1-SD 3.39Å; Q137-V202 CarbonylContact C-O 3.47Å; Q137-V202 WeakPolarHBondContact CA-O 3.44Å; Q137-F208 WeakPolarHBondContact O-CZ 3.4Å; Q137-V252 PolarHBondContact N-O 3.13Å; Q137-V252 PolarHBondContact O-N 2.8Å; Q137-I254 HydrophobicContact CG-CD1 4Å; Q137-I254 HydrophobicContact CG-CG1 4.37Å |
| 138 | A | 95.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | F140 W167 V202 F208 S250 L251 | A138-F140 HydrophobicContact CB-CD2 4.4Å; A138-F140 HydrophobicContact CB-CE2 3.59Å; A138-F140 HydrophobicContact CB-CZ 3.87Å; A138-W167 HydrophobicContact CB-CE3 4.44Å; A138-W167 HydrophobicContact CB-CH2 3.77Å; A138-W167 HydrophobicContact CB-CZ3 3.53Å; A138-V202 PolarHBondContact N-O 3.45Å; A138-V202 PolarHBondContact O-N 3.01Å; A138-F208 HydrophobicContact CB-CE1 4.12Å; A138-S250 CarbonylContact C-O 3.57Å; A138-S250 WeakPolarHBondContact CA-O 3.45Å; A138-L251 HydrophobicContact CB-CD2 3.64Å |
| 139 | E | 96.1 | Very high | 87.7 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 12% | 0.121 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 117.6 | 176.5 | -178.2 | 175.8 | -101.6 | 0 | 0 | 110.6 | R183 Y199 M201 I249 S250 | E139-R183 IonicContact OE1-CZ 3.79Å; E139-R183 VanDerWaalsContact OE1-CZ 3.22Å; E139-R183 IonicContact OE1-NH1 2.96Å; E139-R183 PolarHBondContact OE1-NH1 2.76Å; E139-R183 IonicContact OE1-NH2 2.7Å; E139-R183 PolarHBondContact OE1-NH2 2.01Å; E139-R183 IonicContact OE2-CZ 2.71Å; E139-R183 IonicContact OE2-NH1 3.34Å; E139-R183 PolarHBondContact OE2-NH1 2.96Å; E139-R183 IonicContact OE2-NH2 3.95Å; E139-Y199 HydrophobicContact CG-CD1 4.13Å; E139-M201 WeakPolarHBondContact OE1-CE 3.48Å; E139-I249 VanDerWaalsContact O-CA 3.25Å; E139-I249 WeakPolarHBondContact O-CA 3.36Å; E139-I249 VanDerWaalsContact O-CG1 3.22Å; E139-I249 WeakPolarHBondContact O-CG1 3.42Å; E139-S250 PolarHBondContact N-O 2.84Å; E139-S250 PolarHBondContact O-N 2.84Å; E139-S250 VanDerWaalsContact O-N 3.13Å |
| 140 | F | 96.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.5 | -178 | -60.4 | -93.3 | 0 | 0 | 0 | 110.6 | A138 F159 V163 Y199 V200 V202 L212 I244 I249 | A138-F140 HydrophobicContact CB-CD2 4.4Å; A138-F140 HydrophobicContact CB-CE2 3.59Å; A138-F140 HydrophobicContact CB-CZ 3.87Å; F140-F159 HydrophobicContact CB-CZ 3.95Å; F140-F159 HydrophobicContact CD2-CE1 4.46Å; F140-F159 AromaticContact CD2-CZ 3.88Å; F140-F159 HydrophobicContact CD2-CZ 3.88Å; F140-F159 AromaticContact CG-CZ 3.87Å; F140-F159 HydrophobicContact CG-CZ 3.87Å; F140-V163 HydrophobicContact CE2-CG1 4.39Å; F140-V163 HydrophobicContact CE2-CG2 4.22Å; F140-V163 HydrophobicContact CZ-CG1 4.33Å; F140-V163 HydrophobicContact CZ-CG2 4.22Å; F140-Y199 CarbonylContact O-C 3.35Å; F140-Y199 VanDerWaalsContact O-CA 3.29Å; F140-Y199 WeakPolarHBondContact O-CA 3.49Å; F140-V200 PolarHBondContact N-O 2.91Å; F140-V200 PolarHBondContact O-N 3.19Å; F140-V202 HydrophobicContact CD2-CG2 4.08Å; F140-V202 HydrophobicContact CE2-CB 4.32Å; F140-V202 HydrophobicContact CE2-CG2 4.09Å; F140-L212 HydrophobicContact CE1-CD2 4Å; F140-L212 HydrophobicContact CZ-CD2 4.11Å; F140-I244 HydrophobicContact CD1-CD1 4.14Å; F140-I244 HydrophobicContact CD1-CG2 4.29Å; F140-I249 HydrophobicContact CD1-CD1 3.71Å; F140-I249 HydrophobicContact CD1-CG1 4.21Å; F140-I249 HydrophobicContact CE1-CD1 3.56Å; F140-I249 HydrophobicContact CE1-CG1 4.44Å; F140-I249 HydrophobicContact CZ-CD1 4.32Å |
| 141 | Y | 95.4 | Very high | 89.8 | Confident | 26 Ų | 26 | 33.2 Ų | 33.2 | 10% | 0.102 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 115.9 | 169.9 | -177.5 | -123.5 | 0 | 0 | 0 | 110.6 | K143 A180 Y199 I244 D245 K248 | Y141-K143 HydrophobicContact CD1-CG 4.18Å; Y141-K143 HydrophobicContact CE1-CG 3.71Å; Y141-A180 HydrophobicContact CE2-CB 3.8Å; Y141-Y199 AromaticContact CD2-CD1 3.87Å; Y141-Y199 HydrophobicContact CD2-CD1 3.87Å; Y141-Y199 AromaticContact CD2-CD2 3.7Å; Y141-Y199 HydrophobicContact CD2-CD2 3.7Å; Y141-Y199 AromaticContact CD2-CE1 3.59Å; Y141-Y199 HydrophobicContact CD2-CE1 3.59Å; Y141-Y199 AromaticContact CD2-CE2 3.39Å; Y141-Y199 HydrophobicContact CD2-CE2 3.39Å; Y141-Y199 AromaticContact CD2-CG 3.92Å; Y141-Y199 HydrophobicContact CD2-CG 3.92Å; Y141-Y199 AromaticContact CD2-CZ 3.32Å; Y141-Y199 HydrophobicContact CE2-CD2 4.08Å; Y141-Y199 HydrophobicContact CE2-CE1 4.5Å; Y141-Y199 AromaticContact CE2-CE2 3.57Å; Y141-Y199 HydrophobicContact CE2-CE2 3.57Å; Y141-Y199 AromaticContact CE2-CZ 3.8Å; Y141-Y199 HydrophobicContact CG-CD1 4.25Å; Y141-Y199 AromaticContact CG-CE1 3.78Å; Y141-Y199 HydrophobicContact CG-CE1 3.78Å; Y141-Y199 HydrophobicContact CG-CE2 4.31Å; Y141-Y199 AromaticContact CG-CZ 3.8Å; Y141-I244 CarbonylContact O-C 3.6Å; Y141-I244 WeakPolarHBondContact O-CA 3.35Å; Y141-D245 HydrophobicContact CD1-CB 3.55Å; Y141-D245 HydrophobicContact CE1-CB 4.38Å; Y141-D245 HydrophobicContact CG-CB 4.39Å; Y141-D245 PolarHBondContact O-N 3.17Å; Y141-K248 HydrophobicContact CD1-CB 4.38Å; Y141-K248 HydrophobicContact CD1-CD 3.68Å; Y141-K248 HydrophobicContact CE1-CD 4.11Å; Y141-K248 HydrophobicContact CG-CB 4.47Å; Y141-K248 HydrophobicContact CG-CD 4.27Å |
| 142 | I | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.5 | -178.7 | -54.3 | 169.4 | 0 | 0 | 0 | 108.3 | N144 M145 M150 F159 G197 V198 V200 F242 I244 | I142-N144 VanDerWaalsContact CG2-OD1 3.26Å; I142-N144 WeakPolarHBondContact CG2-OD1 2.92Å; I142-M145 HydrophobicContact CG2-CB 3.97Å; I142-M145 HydrophobicContact CG2-CG 3.81Å; I142-M150 HydrophobicContact CD1-CE 4.13Å; I142-M150 HydrophobicContact CD1-SD 3.98Å; I142-F159 HydrophobicContact CD1-CD2 3.93Å; I142-F159 HydrophobicContact CD1-CE2 3.67Å; I142-F159 HydrophobicContact CD1-CZ 4.08Å; I142-F159 HydrophobicContact CG1-CE2 4.4Å; I142-G197 CarbonylContact O-C 3.58Å; I142-G197 WeakPolarHBondContact O-CA 3.24Å; I142-V198 HydrophobicContact CB-CG1 3.87Å; I142-V198 HydrophobicContact CD1-CG1 4.27Å; I142-V198 HydrophobicContact CG1-CG1 4.48Å; I142-V198 PolarHBondContact N-O 3.16Å; I142-V198 PolarHBondContact O-N 3.32Å; I142-V200 HydrophobicContact CD1-CG2 3.91Å; I142-F242 HydrophobicContact CD1-CD1 4.28Å; I142-F242 HydrophobicContact CG2-CB 4.36Å; I142-F242 HydrophobicContact CG2-CD1 4.33Å; I142-I244 HydrophobicContact CG1-CG1 4.4Å |
| 143 | K | 92.1 | Very high | 92.1 | Very high | 102 Ų | 102 | 33.6 Ų | 33.6 | 44% | 0.443 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -32.8 | -174 | -72.5 | 174.1 | 169.3 | 155.8 | 0 | 113.7 | Y141 H243 D245 | Y141-K143 HydrophobicContact CD1-CG 4.18Å; Y141-K143 HydrophobicContact CE1-CG 3.71Å; K143-H243 PolarHBondContact N-O 3.29Å; K143-D245 HydrophobicContact CD-CB 4.33Å; K143-D245 WeakPolarHBondContact CE-OD2 3.42Å; K143-D245 HydrophobicContact CG-CB 4.45Å; K143-D245 IonicContact NZ-OD1 2.83Å; K143-D245 IonicContact NZ-OD2 3.32Å; K143-D245 PolarHBondContact NZ-OD2 2.89Å |
| 144 | N | 92.7 | Very high | 93 | Very high | 43 Ų | 43 | 36.4 Ų | 36.4 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 17.9 | -169.5 | 71.1 | -46.8 | 0 | 0 | 0 | 114.2 | I142 Q241 H243 | I142-N144 VanDerWaalsContact CG2-OD1 3.26Å; I142-N144 WeakPolarHBondContact CG2-OD1 2.92Å; N144-Q241 PolarHBondContact ND2-O 2.96Å; N144-H243 HydrophobicContact CB-CB 4.08Å; N144-H243 PolarHBondContact OD1-N 3.09Å |
| 145 | M | 92.4 | Very high | 93.4 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 14% | 0.138 | 20% | 0.199 | C | C | . | . | trans | -133.1 | 148.2 | -177.5 | -69.8 | -64.7 | 173.4 | 0 | 0 | 111.1 | I142 E149 G197 V198 F242 | I142-M145 HydrophobicContact CG2-CB 3.97Å; I142-M145 HydrophobicContact CG2-CG 3.81Å; M145-E149 HydrophobicContact SD-CB 4.3Å; M145-G197 CarbonylContact O-C 3.52Å; M145-G197 WeakPolarHBondContact O-CA 3.47Å; M145-G197 PolarHBondContact O-N 3.22Å; M145-G197 VanDerWaalsContact O-N 3.15Å; M145-V198 HydrophobicContact CB-CG1 3.88Å; M145-F242 HydrophobicContact CE-CD1 4.32Å; M145-F242 HydrophobicContact CE-CE1 4.22Å; M145-F242 HydrophobicContact CG-CD1 4.42Å | ||
| 146 | N | 91.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | trans | -99.2 | 165.6 | 165.8 | -59.4 | -50.6 | 0 | 0 | 0 | 109.6 | R82 E148 E149 M150 K195 E196 | R82-N146 PolarHBondContact NH1-ND2 3.49Å; N146-E148 PolarHBondContact O-N 2.86Å; N146-E149 PolarHBondContact ND2-OE1 2.81Å; N146-E149 PolarHBondContact O-N 3.48Å; N146-M150 WeakPolarHBondContact O-CB 3.36Å; N146-M150 PolarHBondContact O-N 2.85Å; N146-K195 WeakPolarHBondContact ND2-CD 3.24Å; N146-E196 PolarHBondContact OD1-N 3.47Å | ||
| 147 | V | 93.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -47.1 | 179.1 | 174.5 | 0 | 0 | 0 | 0 | 112 | I80 Y91 E149 M150 L151 I177 V198 | I80-V147 HydrophobicContact CD1-CB 3.86Å; I80-V147 HydrophobicContact CD1-CG1 4.18Å; Y91-V147 HydrophobicContact CE1-CG1 3.99Å; Y91-V147 HydrophobicContact CE2-CG1 3.93Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 2.76Å; V147-M150 PolarHBondContact O-N 2.84Å; V147-L151 HydrophobicContact CG1-CD1 3.51Å; V147-L151 HydrophobicContact CG1-CG 4.1Å; V147-L151 WeakPolarHBondContact O-CB 3.37Å; V147-L151 WeakPolarHBondContact O-CG 3.3Å; V147-L151 PolarHBondContact O-N 2.88Å; V147-I177 HydrophobicContact CG1-CG2 4.26Å; V147-V198 HydrophobicContact CG2-CG2 4Å |
| 148 | E | 90.9 | Very high | 93.8 | Very high | 59 Ų | 59 | 39.9 Ų | 39.9 | 28% | 0.276 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.6 | -43.9 | 178.3 | -179.4 | -175.9 | -169.9 | 0 | 0 | 112.7 | R82 N146 L151 | R82-E148 WeakPolarHBondContact CB-OE2 3.12Å; N146-E148 PolarHBondContact O-N 2.86Å; E148-L151 PolarHBondContact O-N 3.13Å |
| 149 | E | 91.9 | Very high | 93.9 | Very high | 54 Ų | 54 | 39.9 Ų | 39.9 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.5 | -39.2 | 179.5 | -67.6 | 165.6 | -141.6 | 0 | 0 | 111.2 | R82 M145 N146 V147 A152 V155 K195 | R82-E149 IonicContact NH1-OE1 3.52Å; R82-E149 PolarHBondContact NH1-OE1 2.86Å; M145-E149 HydrophobicContact SD-CB 4.3Å; N146-E149 PolarHBondContact ND2-OE1 2.81Å; N146-E149 PolarHBondContact O-N 3.48Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 2.76Å; E149-A152 WeakPolarHBondContact O-CB 3.22Å; E149-A152 PolarHBondContact O-N 2.9Å; E149-V155 WeakPolarHBondContact O-CB 3.41Å; E149-K195 IonicContact OE1-NZ 3.17Å; E149-K195 PolarHBondContact OE1-NZ 3.44Å; E149-K195 IonicContact OE2-NZ 3.8Å; E149-K195 PolarHBondContact OE2-NZ 3.26Å |
| 150 | M | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.5 | -29.4 | 177.8 | -172 | 65.7 | -162.8 | 0 | 0 | 112.8 | I142 N146 V147 A152 V155 L156 F159 I177 V198 V200 F242 | I142-M150 HydrophobicContact CD1-CE 4.13Å; I142-M150 HydrophobicContact CD1-SD 3.98Å; N146-M150 WeakPolarHBondContact O-CB 3.36Å; N146-M150 PolarHBondContact O-N 2.85Å; V147-M150 PolarHBondContact O-N 2.84Å; M150-A152 VanDerWaalsContact C-N 3.26Å; M150-A152 PolarHBondContact O-N 3.28Å; M150-V155 HydrophobicContact SD-CG1 4.28Å; M150-L156 HydrophobicContact CE-CD1 3.71Å; M150-L156 WeakPolarHBondContact O-CB 3.47Å; M150-F159 HydrophobicContact CE-CB 3.48Å; M150-F159 VanDerWaalsContact CE-CB 3.48Å; M150-F159 HydrophobicContact CE-CD1 3.37Å; M150-F159 HydrophobicContact CE-CD2 4.19Å; M150-F159 HydrophobicContact CE-CE1 4.14Å; M150-F159 HydrophobicContact CE-CG 3.39Å; M150-I177 HydrophobicContact CG-CD1 4.14Å; M150-V198 HydrophobicContact CB-CG1 4.18Å; M150-V198 HydrophobicContact CB-CG2 4.47Å; M150-V198 HydrophobicContact CG-CG1 4.15Å; M150-V198 HydrophobicContact CG-CG2 4.45Å; M150-V200 HydrophobicContact CE-CB 4.48Å; M150-V200 HydrophobicContact CE-CG1 4.19Å; M150-V200 HydrophobicContact CE-CG2 3.71Å; M150-V200 HydrophobicContact CG-CG2 3.89Å; M150-V200 HydrophobicContact SD-CG2 4.22Å; M150-F242 HydrophobicContact SD-CE1 4.34Å |
| 151 | L | 94.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -11.6 | 178.8 | -74 | 169.6 | 0 | 0 | 0 | 113.3 | L33 V35 I80 V89 Y91 V147 E148 S153 I177 | L33-L151 HydrophobicContact CD2-CD2 4.12Å; V35-L151 HydrophobicContact CG1-CB 4.41Å; V35-L151 HydrophobicContact CG1-CD2 4.25Å; V35-L151 HydrophobicContact CG2-CD2 3.68Å; I80-L151 HydrophobicContact CG2-CD1 4.34Å; V89-L151 HydrophobicContact CB-CD1 4.49Å; V89-L151 HydrophobicContact CG1-CD1 3.92Å; Y91-L151 HydrophobicContact CD1-CD1 3.48Å; Y91-L151 VanDerWaalsContact CD1-CD1 3.48Å; Y91-L151 HydrophobicContact CD2-CD1 4.02Å; Y91-L151 HydrophobicContact CD2-CD2 4.18Å; Y91-L151 HydrophobicContact CE1-CD1 3.97Å; Y91-L151 HydrophobicContact CE2-CD1 4.44Å; Y91-L151 HydrophobicContact CG-CD1 3.52Å; Y91-L151 HydrophobicContact CG-CD2 4.04Å; Y91-L151 HydrophobicContact CG-CG 4.46Å; V147-L151 HydrophobicContact CG1-CD1 3.51Å; V147-L151 HydrophobicContact CG1-CG 4.1Å; V147-L151 WeakPolarHBondContact O-CB 3.37Å; V147-L151 WeakPolarHBondContact O-CG 3.3Å; V147-L151 PolarHBondContact O-N 2.88Å; E148-L151 PolarHBondContact O-N 3.13Å; L151-S153 PolarHBondContact O-N 2.92Å; L151-I177 HydrophobicContact CD2-CD1 3.93Å |
| 152 | A | 92.5 | Very high | 93.8 | Very high | 44 Ų | 44 | 41.1 Ų | 41.1 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -59.5 | 132.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | E149 M150 E154 V155 L156 | E149-A152 WeakPolarHBondContact O-CB 3.22Å; E149-A152 PolarHBondContact O-N 2.9Å; M150-A152 VanDerWaalsContact C-N 3.26Å; M150-A152 PolarHBondContact O-N 3.28Å; A152-E154 PolarHBondContact O-N 2.87Å; A152-V155 HydrophobicContact CB-CB 4.34Å; A152-V155 HydrophobicContact CB-CG2 4.1Å; A152-V155 PolarHBondContact O-N 3.15Å; A152-V155 VanDerWaalsContact O-N 3.16Å; A152-L156 WeakPolarHBondContact O-CB 3.48Å; A152-L156 PolarHBondContact O-N 3.06Å |
| 153 | S | 89.8 | Confident | 93.8 | Very high | 101 Ų | 101 | 41.2 Ų | 41.2 | 71% | 0.706 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -58 | -36.2 | -172.5 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | L151 G157 | L151-S153 PolarHBondContact O-N 2.92Å; S153-G157 PolarHBondContact O-N 3.25Å |
| 154 | E | 93.4 | Very high | 93.9 | Very high | 154 Ų | 154 | 41.6 Ų | 41.6 | 72% | 0.72 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67 | -50.9 | 177.5 | -62.6 | 178.1 | -179.2 | 0 | 0 | 111.1 | A152 L156 G157 D158 | A152-E154 PolarHBondContact O-N 2.87Å; E154-L156 PolarHBondContact O-N 3.41Å; E154-G157 PolarHBondContact O-N 2.04Å; E154-D158 WeakPolarHBondContact O-CB 3.34Å; E154-D158 PolarHBondContact O-N 3.04Å |
| 155 | V | 94.9 | Very high | 94 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | -177.9 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | E149 M150 A152 G157 D158 F159 F242 | E149-V155 WeakPolarHBondContact O-CB 3.41Å; M150-V155 HydrophobicContact SD-CG1 4.28Å; A152-V155 HydrophobicContact CB-CB 4.34Å; A152-V155 HydrophobicContact CB-CG2 4.1Å; A152-V155 PolarHBondContact O-N 3.15Å; A152-V155 VanDerWaalsContact O-N 3.16Å; V155-G157 VanDerWaalsContact C-N 3.33Å; V155-D158 PolarHBondContact O-N 3.16Å; V155-F159 WeakPolarHBondContact O-CB 3.3Å; V155-F159 PolarHBondContact O-N 3.48Å; V155-F242 HydrophobicContact CG1-CE1 3.88Å; V155-F242 HydrophobicContact CG1-CZ 4.18Å |
| 156 | L | 94.9 | Very high | 94 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 12% | 0.12 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | 175.6 | -173.3 | 57.6 | 0 | 0 | 0 | 111.3 | L33 M150 A152 E154 F159 L160 A174 I177 | L33-L156 HydrophobicContact CD2-CD2 3.92Å; M150-L156 HydrophobicContact CE-CD1 3.71Å; M150-L156 WeakPolarHBondContact O-CB 3.47Å; A152-L156 WeakPolarHBondContact O-CB 3.48Å; A152-L156 PolarHBondContact O-N 3.06Å; E154-L156 PolarHBondContact O-N 3.41Å; L156-F159 PolarHBondContact O-N 2.98Å; L156-L160 HydrophobicContact CD1-CD1 4.47Å; L156-L160 HydrophobicContact CD1-CG 4.41Å; L156-L160 HydrophobicContact CG-CD1 4.22Å; L156-L160 WeakPolarHBondContact O-CB 3.29Å; L156-L160 VanDerWaalsContact O-CG 3.31Å; L156-L160 WeakPolarHBondContact O-CG 3.25Å; L156-L160 PolarHBondContact O-N 3.38Å; L156-A174 HydrophobicContact CD1-CB 4.33Å; L156-I177 HydrophobicContact CD1-CD1 3.98Å |
| 157 | G | 94.8 | Very high | 94.2 | Very high | 39 Ų | 39 | 44 Ų | 44 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | S153 E154 V155 F159 L160 G161 | S153-G157 PolarHBondContact O-N 3.25Å; E154-G157 PolarHBondContact O-N 2.04Å; V155-G157 VanDerWaalsContact C-N 3.33Å; G157-F159 PolarHBondContact O-N 3.18Å; G157-L160 PolarHBondContact O-N 2.95Å; G157-G161 PolarHBondContact O-N 3.31Å |
| 158 | D | 95.5 | Very high | 94.2 | Very high | 85 Ų | 85 | 51.5 Ų | 51.5 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 176.7 | -76.4 | -10.8 | 0 | 0 | 0 | 111.5 | E154 V155 G161 A162 F242 | E154-D158 WeakPolarHBondContact O-CB 3.34Å; E154-D158 PolarHBondContact O-N 3.04Å; V155-D158 PolarHBondContact O-N 3.16Å; D158-G161 PolarHBondContact O-N 3.19Å; D158-A162 PolarHBondContact O-N 3.16Å; D158-F242 HydrophobicContact CB-CZ 4.4Å |
| 159 | F | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -50.1 | 175.9 | 178.1 | -105.6 | 0 | 0 | 0 | 112 | F140 I142 M150 V155 L156 G157 G161 A162 V163 V200 V202 F242 I244 | F140-F159 HydrophobicContact CB-CZ 3.95Å; F140-F159 HydrophobicContact CD2-CE1 4.46Å; F140-F159 AromaticContact CD2-CZ 3.88Å; F140-F159 HydrophobicContact CD2-CZ 3.88Å; F140-F159 AromaticContact CG-CZ 3.87Å; F140-F159 HydrophobicContact CG-CZ 3.87Å; I142-F159 HydrophobicContact CD1-CD2 3.93Å; I142-F159 HydrophobicContact CD1-CE2 3.67Å; I142-F159 HydrophobicContact CD1-CZ 4.08Å; I142-F159 HydrophobicContact CG1-CE2 4.4Å; M150-F159 HydrophobicContact CE-CB 3.48Å; M150-F159 VanDerWaalsContact CE-CB 3.48Å; M150-F159 HydrophobicContact CE-CD1 3.37Å; M150-F159 HydrophobicContact CE-CD2 4.19Å; M150-F159 HydrophobicContact CE-CE1 4.14Å; M150-F159 HydrophobicContact CE-CG 3.39Å; V155-F159 WeakPolarHBondContact O-CB 3.3Å; V155-F159 PolarHBondContact O-N 3.48Å; L156-F159 PolarHBondContact O-N 2.98Å; G157-F159 PolarHBondContact O-N 3.18Å; F159-G161 PolarHBondContact O-N 3.42Å; F159-A162 WeakPolarHBondContact O-CB 2.98Å; F159-A162 PolarHBondContact O-N 3.48Å; F159-A162 VanDerWaalsContact O-N 3.13Å; F159-V163 HydrophobicContact CD1-CG2 4.26Å; F159-V163 HydrophobicContact CD2-CG2 4.5Å; F159-V163 HydrophobicContact CE1-CG2 3.79Å; F159-V163 HydrophobicContact CE2-CG2 4.05Å; F159-V163 HydrophobicContact CZ-CG2 3.67Å; F159-V163 WeakPolarHBondContact O-CG2 3.01Å; F159-V163 PolarHBondContact O-N 3.44Å; F159-V200 HydrophobicContact CD1-CG1 4.06Å; F159-V200 HydrophobicContact CE1-CB 3.98Å; F159-V200 HydrophobicContact CE1-CG1 3.55Å; F159-V200 HydrophobicContact CZ-CB 4.38Å; F159-V200 HydrophobicContact CZ-CG1 4.41Å; F159-V202 HydrophobicContact CE1-CG2 3.83Å; F159-F242 HydrophobicContact CB-CE1 4.06Å; F159-F242 HydrophobicContact CB-CE2 3.92Å; F159-F242 HydrophobicContact CB-CZ 3.62Å; F159-F242 HydrophobicContact CD2-CD1 4.19Å; F159-F242 HydrophobicContact CD2-CD2 4.02Å; F159-F242 HydrophobicContact CD2-CE1 4.34Å; F159-F242 HydrophobicContact CD2-CE2 4.19Å; F159-F242 HydrophobicContact CD2-CG 4.02Å; F159-F242 HydrophobicContact CD2-CZ 4.35Å; F159-F242 HydrophobicContact CG-CZ 4.48Å; F159-I244 HydrophobicContact CE2-CD1 4.3Å |
| 160 | L | 95.5 | Very high | 94.2 | Very high | 35 Ų | 35 | 54 Ų | 54 | 18% | 0.183 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -35.1 | 177.5 | -70.8 | 177.5 | 0 | 0 | 0 | 111.5 | L156 G157 V163 K164 L172 A174 V202 | L156-L160 HydrophobicContact CD1-CD1 4.47Å; L156-L160 HydrophobicContact CD1-CG 4.41Å; L156-L160 HydrophobicContact CG-CD1 4.22Å; L156-L160 WeakPolarHBondContact O-CB 3.29Å; L156-L160 VanDerWaalsContact O-CG 3.31Å; L156-L160 WeakPolarHBondContact O-CG 3.25Å; L156-L160 PolarHBondContact O-N 3.38Å; G157-L160 PolarHBondContact O-N 2.95Å; L160-V163 PolarHBondContact O-N 3.42Å; L160-K164 VanDerWaalsContact O-CB 3.28Å; L160-K164 WeakPolarHBondContact O-CB 3.46Å; L160-K164 PolarHBondContact O-N 2.95Å; L160-L172 HydrophobicContact CB-CD2 4.35Å; L160-L172 HydrophobicContact CD2-CD2 4.11Å; L160-L172 WeakPolarHBondContact O-CD2 3.35Å; L160-A174 HydrophobicContact CD1-CB 4.33Å; L160-A174 HydrophobicContact CD2-CB 4.26Å; L160-V202 HydrophobicContact CD2-CG1 3.8Å; L160-V202 HydrophobicContact CD2-CG2 4.15Å |
| 161 | G | 95.1 | Very high | 93.9 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G157 D158 F159 K164 N165 | G157-G161 PolarHBondContact O-N 3.31Å; D158-G161 PolarHBondContact O-N 3.19Å; F159-G161 PolarHBondContact O-N 3.42Å; G161-K164 PolarHBondContact O-N 2.67Å; G161-N165 WeakPolarHBondContact O-CB 3.37Å; G161-N165 PolarHBondContact O-N 3.09Å; G161-N165 PolarHBondContact O-ND2 2.89Å |
| 162 | A | 95.2 | Very high | 93.8 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 13% | 0.132 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | D158 F159 N165 V166 F238 | D158-A162 PolarHBondContact O-N 3.16Å; F159-A162 WeakPolarHBondContact O-CB 2.98Å; F159-A162 PolarHBondContact O-N 3.48Å; F159-A162 VanDerWaalsContact O-N 3.13Å; A162-N165 PolarHBondContact O-N 3.09Å; A162-V166 PolarHBondContact O-N 3.41Å; A162-F238 HydrophobicContact CB-CD1 3.76Å; A162-F238 HydrophobicContact CB-CE1 3.66Å |
| 163 | V | 95.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63 | -45.1 | 175.1 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | F140 F159 L160 N165 V166 W167 L172 V202 F238 | F140-V163 HydrophobicContact CE2-CG1 4.39Å; F140-V163 HydrophobicContact CE2-CG2 4.22Å; F140-V163 HydrophobicContact CZ-CG1 4.33Å; F140-V163 HydrophobicContact CZ-CG2 4.22Å; F159-V163 HydrophobicContact CD1-CG2 4.26Å; F159-V163 HydrophobicContact CD2-CG2 4.5Å; F159-V163 HydrophobicContact CE1-CG2 3.79Å; F159-V163 HydrophobicContact CE2-CG2 4.05Å; F159-V163 HydrophobicContact CZ-CG2 3.67Å; F159-V163 WeakPolarHBondContact O-CG2 3.01Å; F159-V163 PolarHBondContact O-N 3.44Å; L160-V163 PolarHBondContact O-N 3.42Å; V163-N165 VanDerWaalsContact C-N 3.28Å; V163-N165 PolarHBondContact O-N 2.78Å; V163-V166 PolarHBondContact O-N 3.44Å; V163-W167 HydrophobicContact CG1-CE3 3.89Å; V163-W167 WeakPolarHBondContact O-CB 3.43Å; V163-W167 PolarHBondContact O-N 3.17Å; V163-L172 HydrophobicContact CB-CD2 4.07Å; V163-L172 HydrophobicContact CG1-CD1 3.95Å; V163-L172 HydrophobicContact CG1-CD2 3.91Å; V163-V202 HydrophobicContact CG1-CG1 4.34Å; V163-F238 HydrophobicContact CG2-CE1 3.86Å; V163-F238 HydrophobicContact CG2-CZ 4.29Å |
| 164 | K | 95.2 | Very high | 93.9 | Very high | 109 Ų | 109 | 55.6 Ų | 55.6 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 177.1 | -169.4 | 174.4 | -176.4 | 172.7 | 0 | 112 | L160 G161 V166 Q168 P169 L172 | L160-K164 VanDerWaalsContact O-CB 3.28Å; L160-K164 WeakPolarHBondContact O-CB 3.46Å; L160-K164 PolarHBondContact O-N 2.95Å; G161-K164 PolarHBondContact O-N 2.67Å; K164-V166 PolarHBondContact O-N 2.94Å; K164-Q168 VanDerWaalsContact O-CA 3.29Å; K164-Q168 WeakPolarHBondContact O-CA 3.39Å; K164-Q168 PolarHBondContact O-N 2.9Å; K164-P169 HydrophobicContact CG-CG 4.43Å; K164-L172 HydrophobicContact CB-CD2 4.03Å |
| 165 | N | 93.9 | Very high | 93.8 | Very high | 109 Ų | 109 | 49.2 Ų | 49.2 | 58% | 0.583 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -69 | -17.5 | 177.4 | -71.5 | -25.1 | 0 | 0 | 0 | 114.5 | G161 A162 V163 K237 | G161-N165 WeakPolarHBondContact O-CB 3.37Å; G161-N165 PolarHBondContact O-N 3.09Å; G161-N165 PolarHBondContact O-ND2 2.89Å; A162-N165 PolarHBondContact O-N 3.09Å; V163-N165 VanDerWaalsContact C-N 3.28Å; V163-N165 PolarHBondContact O-N 2.78Å; N165-K237 PolarHBondContact O-NZ 3.31Å |
| 166 | V | 93.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -102.4 | -40.1 | 179.8 | 170.9 | 0 | 0 | 0 | 0 | 112 | A162 V163 K164 S209 C211 L212 C234 K237 F238 | A162-V166 PolarHBondContact O-N 3.41Å; V163-V166 PolarHBondContact O-N 3.44Å; K164-V166 PolarHBondContact O-N 2.94Å; V166-S209 VanDerWaalsContact O-CB 3.26Å; V166-S209 WeakPolarHBondContact O-CB 3.49Å; V166-S209 PolarHBondContact O-OG 2.9Å; V166-C211 HydrophobicContact CG1-CB 4.41Å; V166-L212 HydrophobicContact CG1-CD2 4.41Å; V166-L212 HydrophobicContact CG1-CG 4.32Å; V166-C234 HydrophobicContact CG1-CB 3.78Å; V166-C234 WeakPolarHBondContact CG1-SG 3.48Å; V166-C234 HydrophobicContact CG2-CB 3.94Å; V166-K237 HydrophobicContact CG2-CB 4.19Å; V166-K237 HydrophobicContact CG2-CD 3.43Å; V166-K237 VanDerWaalsContact CG2-CD 3.43Å; V166-K237 HydrophobicContact CG2-CG 4.46Å; V166-F238 HydrophobicContact CB-CE2 4.28Å; V166-F238 HydrophobicContact CB-CZ 4.12Å; V166-F238 HydrophobicContact CG1-CE2 4.36Å; V166-F238 HydrophobicContact CG2-CE2 3.68Å; V166-F238 HydrophobicContact CG2-CZ 3.79Å |
| 167 | W | 95.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 48 Ų | 48 | 2% | 0.023 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -87.8 | -32.4 | -176.7 | -161.6 | -19.4 | 0 | 0 | 0 | 111.7 | A138 V163 P169 L172 A204 V206 P207 F208 L212 | A138-W167 HydrophobicContact CB-CE3 4.44Å; A138-W167 HydrophobicContact CB-CH2 3.77Å; A138-W167 HydrophobicContact CB-CZ3 3.53Å; V163-W167 HydrophobicContact CG1-CE3 3.89Å; V163-W167 WeakPolarHBondContact O-CB 3.43Å; V163-W167 PolarHBondContact O-N 3.17Å; W167-P169 VanDerWaalsContact C-CD 3.47Å; W167-L172 HydrophobicContact CE3-CD1 4.02Å; W167-L172 HydrophobicContact CZ3-CD1 4.35Å; W167-A204 HydrophobicContact CD2-CB 3.94Å; W167-A204 HydrophobicContact CE3-CB 4.15Å; W167-A204 HydrophobicContact CH2-CB 3.67Å; W167-A204 HydrophobicContact CZ2-CB 3.43Å; W167-A204 VanDerWaalsContact CZ2-CB 3.43Å; W167-A204 HydrophobicContact CZ3-CB 4.02Å; W167-V206 PolarHBondContact NE1-O 2.78Å; W167-V206 VanDerWaalsContact NE1-O 3.1Å; W167-P207 PolarHBondContact NE1-O 2.76Å; W167-F208 AromaticContact CE2-CD1 3.79Å; W167-F208 AromaticContact CH2-CD1 3.78Å; W167-F208 HydrophobicContact CH2-CD1 3.78Å; W167-F208 AromaticContact CH2-CE1 3.5Å; W167-F208 HydrophobicContact CH2-CE1 3.5Å; W167-F208 AromaticContact CZ2-CD1 3.27Å; W167-F208 HydrophobicContact CZ2-CD1 3.27Å; W167-F208 AromaticContact CZ2-CE1 3.35Å; W167-F208 HydrophobicContact CZ2-CE1 3.35Å; W167-F208 HydrophobicContact CZ2-CG 4.35Å; W167-F208 HydrophobicContact CZ2-CZ 4.47Å; W167-L212 HydrophobicContact CB-CD1 4.12Å; W167-L212 HydrophobicContact CD2-CD1 3.72Å; W167-L212 HydrophobicContact CE3-CD1 3.9Å; W167-L212 HydrophobicContact CG-CD1 3.85Å |
| 168 | Q | 93.8 | Very high | 93.6 | Very high | 157 Ų | 157 | 46.6 Ų | 46.6 | 73% | 0.734 | 24% | 0.237 | S | C | * | . | trans | 56.9 | 47.5 | -177.4 | -55.4 | -178 | -34.2 | 0 | 0 | 115.6 | K164 | K164-Q168 VanDerWaalsContact O-CA 3.29Å; K164-Q168 WeakPolarHBondContact O-CA 3.39Å; K164-Q168 PolarHBondContact O-N 2.9Å | ||
| 169 | P | 92.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | trans | -79.2 | 160.5 | 173.7 | 36.3 | -38.1 | 0 | 0 | 0 | 112.5 | K164 W167 R171 L172 A204 D205 V206 | K164-P169 HydrophobicContact CG-CG 4.43Å; W167-P169 VanDerWaalsContact C-CD 3.47Å; P169-R171 WeakPolarHBondContact CB-O 2.99Å; P169-L172 HydrophobicContact CG-CB 3.71Å; P169-L172 HydrophobicContact CG-CD1 3.87Å; P169-L172 HydrophobicContact CG-CG 4.29Å; P169-A204 HydrophobicContact CB-CB 4.02Å; P169-D205 WeakPolarHBondContact CB-OD1 3.43Å; P169-V206 HydrophobicContact CB-CG2 3.74Å | ||
| 170 | E | 89.1 | Confident | 93.3 | Very high | 157 Ų | 157 | 43.2 Ų | 43.2 | 73% | 0.734 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -74.9 | -41.7 | 164.6 | -176.7 | 179.1 | 170.3 | 0 | 0 | 109.5 | D205 | E170-D205 WeakPolarHBondContact CB-OD2 3.38Å; E170-D205 PolarHBondContact N-OD1 2.86Å |
| 171 | R | 88.8 | Confident | 93 | Very high | 100 Ų | 100 | 43.7 Ų | 43.7 | 38% | 0.377 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -124.2 | 128.2 | 179.7 | -58.4 | 171.1 | 178.5 | -162 | -15.2 | 111.6 | E131 P169 A204 D205 | E131-R171 VanDerWaalsContact CD-CZ 3.45Å; E131-R171 IonicContact OE1-CZ 3.22Å; E131-R171 IonicContact OE1-NH1 2.63Å; E131-R171 PolarHBondContact OE1-NH1 3.42Å; E131-R171 IonicContact OE1-NH2 3.02Å; E131-R171 PolarHBondContact OE1-NH2 3.37Å; E131-R171 IonicContact OE2-CZ 2.81Å; E131-R171 IonicContact OE2-NH1 3.86Å; E131-R171 PolarHBondContact OE2-NH1 2.93Å; E131-R171 IonicContact OE2-NH2 3.12Å; P169-R171 WeakPolarHBondContact CB-O 2.99Å; R171-A204 WeakPolarHBondContact O-CA 3.19Å; R171-D205 HydrophobicContact CB-CB 4.37Å; R171-D205 WeakPolarHBondContact CB-OD2 3.47Å; R171-D205 WeakPolarHBondContact CG-OD2 3.45Å; R171-D205 PolarHBondContact N-OD1 3.49Å; R171-D205 VanDerWaalsContact N-OD1 3.17Å; R171-D205 PolarHBondContact N-OD2 2.85Å; R171-D205 VanDerWaalsContact N-OD2 3.11Å; R171-D205 PolarHBondContact O-N 3.35Å |
| 172 | L | 92.6 | Very high | 92.6 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 13% | 0.131 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 130.5 | 179.2 | -171.4 | 84.2 | 0 | 0 | 0 | 109.8 | L160 V163 K164 W167 P169 V202 G203 A204 | L160-L172 HydrophobicContact CB-CD2 4.35Å; L160-L172 HydrophobicContact CD2-CD2 4.11Å; L160-L172 WeakPolarHBondContact O-CD2 3.35Å; V163-L172 HydrophobicContact CB-CD2 4.07Å; V163-L172 HydrophobicContact CG1-CD1 3.95Å; V163-L172 HydrophobicContact CG1-CD2 3.91Å; K164-L172 HydrophobicContact CB-CD2 4.03Å; W167-L172 HydrophobicContact CE3-CD1 4.02Å; W167-L172 HydrophobicContact CZ3-CD1 4.35Å; P169-L172 HydrophobicContact CG-CB 3.71Å; P169-L172 HydrophobicContact CG-CD1 3.87Å; P169-L172 HydrophobicContact CG-CG 4.29Å; L172-V202 HydrophobicContact CD1-CG1 3.43Å; L172-V202 VanDerWaalsContact CD1-CG1 3.43Å; L172-V202 HydrophobicContact CD2-CG1 4.1Å; L172-V202 HydrophobicContact CG-CG1 3.6Å; L172-G203 WeakPolarHBondContact CA-O 3.36Å; L172-G203 WeakPolarHBondContact CD1-O 3.4Å; L172-A204 HydrophobicContact CD1-CB 4.08Å |
| 173 | N | 92.2 | Very high | 92.2 | Very high | 58 Ų | 58 | 51.6 Ų | 51.6 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146.5 | 175.4 | -72.5 | -57.3 | 0 | 0 | 0 | 111.7 | F132 L134 I175 V202 G203 | F132-N173 HydrophobicContact CE1-CB 4.41Å; F132-N173 HydrophobicContact CZ-CB 3.97Å; F132-N173 WeakPolarHBondContact CZ-ND2 3.44Å; L134-N173 HydrophobicContact CD1-CB 4.3Å; N173-I175 PolarHBondContact O-N 3.44Å; N173-V202 WeakPolarHBondContact O-CA 3.46Å; N173-V202 WeakPolarHBondContact O-CG1 3.41Å; N173-G203 PolarHBondContact N-O 3.34Å; N173-G203 VanDerWaalsContact N-O 3.1Å; N173-G203 PolarHBondContact O-N 3.5Å |
| 174 | A | 93.8 | Very high | 91.6 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 122.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | L33 L156 L160 | L33-A174 HydrophobicContact CB-CB 4.1Å; L33-A174 VanDerWaalsContact CB-O 3.31Å; L33-A174 WeakPolarHBondContact CB-O 3.4Å; L33-A174 HydrophobicContact CD2-CB 4.16Å; L33-A174 PolarHBondContact N-O 3.01Å; L156-A174 HydrophobicContact CD1-CB 4.33Å; L160-A174 HydrophobicContact CD1-CB 4.33Å; L160-A174 HydrophobicContact CD2-CB 4.26Å |
| 175 | I | 91.5 | Very high | 91 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -45.3 | 178.7 | -65.5 | 176.3 | 0 | 0 | 0 | 110.2 | S93 Q137 N173 M201 G203 | S93-I175 WeakPolarHBondContact CB-O 3.48Å; S93-I175 PolarHBondContact OG-O 2.75Å; Q137-I175 HydrophobicContact CB-CD1 4.43Å; Q137-I175 VanDerWaalsContact CD-CD1 3.4Å; Q137-I175 HydrophobicContact CG-CD1 3.58Å; N173-I175 PolarHBondContact O-N 3.44Å; I175-M201 HydrophobicContact CB-CB 4.44Å; I175-M201 HydrophobicContact CB-CG 4.12Å; I175-M201 HydrophobicContact CB-SD 4.35Å; I175-M201 HydrophobicContact CG2-CG 4.45Å; I175-M201 HydrophobicContact CG2-SD 4.02Å; I175-M201 PolarHBondContact N-O 3.43Å; I175-G203 VanDerWaalsContact CD1-CA 3.48Å |
| 176 | N | 92.8 | Very high | 90.5 | Very high | 36 Ų | 36 | 57.4 Ų | 57.4 | 19% | 0.193 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 150.1 | -176 | -169 | 11.3 | 0 | 0 | 0 | 110.8 | M201 | N176-M201 HydrophobicContact CB-CB 4.13Å; N176-M201 HydrophobicContact CB-SD 4.49Å; N176-M201 PolarHBondContact N-O 2.87Å; N176-M201 PolarHBondContact O-N 3.23Å |
| 177 | I | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.7 | 172.7 | -63 | -173.2 | 0 | 0 | 0 | 107.7 | L33 Y91 V147 M150 L151 L156 V198 Y199 V200 | L33-I177 HydrophobicContact CD1-CB 4.37Å; L33-I177 HydrophobicContact CD1-CG1 4.23Å; L33-I177 HydrophobicContact CD2-CD1 3.43Å; L33-I177 VanDerWaalsContact CD2-CD1 3.43Å; L33-I177 HydrophobicContact CD2-CG1 3.75Å; Y91-I177 WeakPolarHBondContact CE2-O 3.19Å; V147-I177 HydrophobicContact CG1-CG2 4.26Å; M150-I177 HydrophobicContact CG-CD1 4.14Å; L151-I177 HydrophobicContact CD2-CD1 3.93Å; L156-I177 HydrophobicContact CD1-CD1 3.98Å; I177-V198 HydrophobicContact CG2-CG2 3.37Å; I177-Y199 WeakPolarHBondContact CA-O 3.31Å; I177-V200 HydrophobicContact CD1-CG1 4.47Å; I177-V200 HydrophobicContact CD1-CG2 4.5Å; I177-V200 HydrophobicContact CG1-CG1 4.19Å; I177-V200 HydrophobicContact CG1-CG2 4.33Å |
| 178 | T | 92.7 | Very high | 89.4 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141 | 179.5 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | R183 Y199 | T178-R183 PolarHBondContact OG1-NE 3.37Å; T178-R183 VanDerWaalsContact OG1-NE 3.15Å; T178-R183 PolarHBondContact OG1-NH2 2.8Å; T178-Y199 PolarHBondContact N-O 2.8Å; T178-Y199 PolarHBondContact O-N 3.16Å; T178-Y199 WeakPolarHBondContact OG1-CB 3.42Å |
| 179 | S | 92.1 | Very high | 88.8 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 147.8 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 110 | L181 D182 | S179-L181 PolarHBondContact O-N 3.4Å; S179-L181 PolarHBondContact OG-N 3.46Å; S179-L181 VanDerWaalsContact OG-N 3.13Å; S179-D182 PolarHBondContact O-N 2.97Å |
| 180 | A | 92.1 | Very high | 88 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 5% | 0.05 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -30.8 | 168 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y141 R183 G185 E196 G197 Y199 | Y141-A180 HydrophobicContact CE2-CB 3.8Å; A180-R183 PolarHBondContact O-N 3.02Å; A180-G185 VanDerWaalsContact O-CA 3.28Å; A180-G185 WeakPolarHBondContact O-CA 3.36Å; A180-G185 PolarHBondContact O-N 2.87Å; A180-E196 WeakPolarHBondContact CB-O 3.21Å; A180-G197 WeakPolarHBondContact CB-O 3.46Å; A180-G197 PolarHBondContact N-O 3.09Å; A180-G197 VanDerWaalsContact N-O 3.08Å; A180-Y199 HydrophobicContact CB-CE2 4.28Å |
| 181 | L | 89.6 | Confident | 87.5 | Confident | 46 Ų | 46 | 65.1 Ų | 65.1 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -65.6 | -40.1 | 179.8 | -58.1 | -176.2 | 0 | 0 | 0 | 111.9 | S179 R183 G184 R186 V187 E196 | S179-L181 PolarHBondContact O-N 3.4Å; S179-L181 PolarHBondContact OG-N 3.46Å; S179-L181 VanDerWaalsContact OG-N 3.13Å; L181-R183 PolarHBondContact O-N 3.46Å; L181-R183 VanDerWaalsContact O-N 3.09Å; L181-G184 PolarHBondContact O-N 3.39Å; L181-R186 VanDerWaalsContact CD2-C 3.5Å; L181-R186 WeakPolarHBondContact CD2-O 3.42Å; L181-V187 HydrophobicContact CD1-CG2 4.16Å; L181-V187 HydrophobicContact CD2-CB 4.4Å; L181-V187 HydrophobicContact CD2-CG2 3.99Å; L181-E196 HydrophobicContact CD1-CB 4.49Å; L181-E196 VanDerWaalsContact CD1-CD 3.44Å; L181-E196 HydrophobicContact CD1-CG 3.89Å; L181-E196 WeakPolarHBondContact CD1-OE2 3.32Å; L181-E196 HydrophobicContact CD2-CG 4.48Å; L181-E196 HydrophobicContact CG-CB 4.28Å; L181-E196 HydrophobicContact CG-CG 4.18Å |
| 182 | D | 87.1 | Confident | 86.6 | Confident | 100 Ų | 100 | 67.3 Ų | 67.3 | 54% | 0.535 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -63 | -19.5 | 178.5 | -62.9 | -23.3 | 0 | 0 | 0 | 112.5 | S179 | S179-D182 PolarHBondContact O-N 2.97Š|
| 183 | R | 86.2 | Confident | 85.8 | Confident | 109 Ų | 109 | 73.4 Ų | 73.4 | 41% | 0.411 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -98.8 | 18.2 | 177.8 | -60 | -166 | -177.7 | -162.8 | -4.1 | 113.6 | E139 T178 A180 L181 Y199 | E139-R183 IonicContact OE1-CZ 3.79Å; E139-R183 VanDerWaalsContact OE1-CZ 3.22Å; E139-R183 IonicContact OE1-NH1 2.96Å; E139-R183 PolarHBondContact OE1-NH1 2.76Å; E139-R183 IonicContact OE1-NH2 2.7Å; E139-R183 PolarHBondContact OE1-NH2 2.01Å; E139-R183 IonicContact OE2-CZ 2.71Å; E139-R183 IonicContact OE2-NH1 3.34Å; E139-R183 PolarHBondContact OE2-NH1 2.96Å; E139-R183 IonicContact OE2-NH2 3.95Å; T178-R183 PolarHBondContact OG1-NE 3.37Å; T178-R183 VanDerWaalsContact OG1-NE 3.15Å; T178-R183 PolarHBondContact OG1-NH2 2.8Å; A180-R183 PolarHBondContact O-N 3.02Å; L181-R183 PolarHBondContact O-N 3.46Å; L181-R183 VanDerWaalsContact O-N 3.09Å; R183-Y199 HydrophobicContact CG-CD2 4.49Å; R183-Y199 HydrophobicContact CG-CE2 4.47Å |
| 184 | G | 83.8 | Confident | 85.4 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 72% | 0.722 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 18.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L181 | L181-G184 PolarHBondContact O-N 3.39Š|
| 185 | G | 82.6 | Confident | 85.1 | Confident | 36 Ų | 36 | 77.9 Ų | 77.9 | 37% | 0.371 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 154.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A180 | A180-G185 VanDerWaalsContact O-CA 3.28Å; A180-G185 WeakPolarHBondContact O-CA 3.36Å; A180-G185 PolarHBondContact O-N 2.87Å |
| 186 | R | 82.5 | Confident | 85 | Confident | 236 Ų | 236 | 79.3 Ų | 79.3 | 89% | 0.891 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 139.4 | 175 | -65.8 | -178 | -179 | 161.8 | 1.1 | 109.6 | L181 P188 | L181-R186 VanDerWaalsContact CD2-C 3.5Å; L181-R186 WeakPolarHBondContact CD2-O 3.42Å; R186-P188 WeakPolarHBondContact O-CD 3.42Å |
| 187 | V | 85.8 | Confident | 85 | Confident | 112 Ų | 112 | 77.6 Ų | 77.6 | 68% | 0.679 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 120.1 | 169.6 | -177.7 | 0 | 0 | 0 | 0 | 108 | L181 | L181-V187 HydrophobicContact CD1-CG2 4.16Å; L181-V187 HydrophobicContact CD2-CB 4.4Å; L181-V187 HydrophobicContact CD2-CG2 3.99Å |
| 188 | P | 81.3 | Confident | 85 | Confident | 37 Ų | 37 | 77.6 Ų | 77.6 | 24% | 0.24 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 149.6 | 179.4 | 27.5 | -33.8 | 0 | 0 | 0 | 109.7 | R186 L194 E196 | R186-P188 WeakPolarHBondContact O-CD 3.42Å; P188-L194 HydrophobicContact CB-CB 4.43Å; P188-E196 HydrophobicContact CG-CB 4.47Å; P188-E196 HydrophobicContact CG-CG 3.75Å |
| 189 | L | 80.3 | Confident | 85.2 | Confident | 124 Ų | 124 | 78.4 Ų | 78.4 | 65% | 0.649 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 146.2 | 170.2 | -67 | 173.4 | 0 | 0 | 0 | 109.1 | I191 | L189-I191 HydrophobicContact CB-CD1 3.8Å; L189-I191 HydrophobicContact CB-CG1 3.89Å; L189-I191 HydrophobicContact CD1-CD1 4.08Å; L189-I191 PolarHBondContact O-N 2.94Å |
| 190 | P | 76.2 | Confident | 85.4 | Confident | 135 Ų | 135 | 78.1 Ų | 78.1 | 88% | 0.877 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -73.1 | 62.2 | 178.6 | 32.1 | -36.3 | 0 | 0 | 0 | 110.9 | ||
| 191 | I | 78.3 | Confident | 85.6 | Confident | 95 Ų | 95 | 79.7 Ų | 79.7 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | trans | -105.9 | 136.8 | 176.2 | -58.2 | 170.2 | 0 | 0 | 0 | 106.5 | L189 N193 L194 | L189-I191 HydrophobicContact CB-CD1 3.8Å; L189-I191 HydrophobicContact CB-CG1 3.89Å; L189-I191 HydrophobicContact CD1-CD1 4.08Å; L189-I191 PolarHBondContact O-N 2.94Å; I191-N193 PolarHBondContact O-N 2.93Å; I191-L194 HydrophobicContact CB-CD1 3.84Å; I191-L194 HydrophobicContact CD1-CD1 4Å; I191-L194 HydrophobicContact CG1-CD1 4.43Å; I191-L194 HydrophobicContact CG2-CD1 4.19Å; I191-L194 PolarHBondContact O-N 3.46Å | ||
| 192 | N | 71.2 | Confident | 85.9 | Confident | 146 Ų | 146 | 77.5 Ų | 77.5 | 78% | 0.781 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 134.1 | -178.6 | -65.7 | -17 | 0 | 0 | 0 | 111 | L194 | N192-L194 VanDerWaalsContact C-N 3.28Å; N192-L194 PolarHBondContact O-N 3.38Å |
| 193 | N | 74.3 | Confident | 86.2 | Confident | 152 Ų | 152 | 72.8 Ų | 72.8 | 81% | 0.813 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -0.3 | 179.3 | -51.5 | -28.4 | 0 | 0 | 0 | 117.1 | I191 | I191-N193 PolarHBondContact O-N 2.93Š|
| 194 | L | 83.8 | Confident | 86.5 | Confident | 97 Ų | 97 | 67.6 Ų | 67.6 | 51% | 0.508 | 37% | 0.373 | S | S | . | . | trans | -82.8 | 120 | 166.4 | -81.7 | 163.3 | 0 | 0 | 0 | 109.5 | P188 I191 N192 | P188-L194 HydrophobicContact CB-CB 4.43Å; I191-L194 HydrophobicContact CB-CD1 3.84Å; I191-L194 HydrophobicContact CD1-CD1 4Å; I191-L194 HydrophobicContact CG1-CD1 4.43Å; I191-L194 HydrophobicContact CG2-CD1 4.19Å; I191-L194 PolarHBondContact O-N 3.46Å; N192-L194 VanDerWaalsContact C-N 3.28Å; N192-L194 PolarHBondContact O-N 3.38Å | ||
| 195 | K | 89.1 | Confident | 86.9 | Confident | 61 Ų | 61 | 66.3 Ų | 66.3 | 27% | 0.265 | 35% | 0.349 | S | S | . | . | trans | -110.2 | 155.8 | -177.2 | -55.2 | -78.2 | -178.8 | 161.1 | 0 | 108.5 | N146 E149 G197 | N146-K195 WeakPolarHBondContact ND2-CD 3.24Å; E149-K195 IonicContact OE1-NZ 3.17Å; E149-K195 PolarHBondContact OE1-NZ 3.44Å; E149-K195 IonicContact OE2-NZ 3.8Å; E149-K195 PolarHBondContact OE2-NZ 3.26Å; K195-G197 VanDerWaalsContact C-N 3.25Å; K195-G197 PolarHBondContact O-N 3.47Å | ||
| 196 | E | 89.4 | Confident | 87.4 | Confident | 50 Ų | 50 | 66.6 Ų | 66.6 | 23% | 0.234 | 34% | 0.344 | C | S | . | . | trans | -67 | -33.3 | -178.8 | -68.3 | 166.5 | -164.4 | 0 | 0 | 111.5 | N146 A180 L181 P188 | N146-E196 PolarHBondContact OD1-N 3.47Å; A180-E196 WeakPolarHBondContact CB-O 3.21Å; L181-E196 HydrophobicContact CD1-CB 4.49Å; L181-E196 VanDerWaalsContact CD1-CD 3.44Å; L181-E196 HydrophobicContact CD1-CG 3.89Å; L181-E196 WeakPolarHBondContact CD1-OE2 3.32Å; L181-E196 HydrophobicContact CD2-CG 4.48Å; L181-E196 HydrophobicContact CG-CB 4.28Å; L181-E196 HydrophobicContact CG-CG 4.18Å; P188-E196 HydrophobicContact CG-CB 4.47Å; P188-E196 HydrophobicContact CG-CG 3.75Å | ||
| 197 | G | 92.8 | Very high | 88 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | 88.4 | 153.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I142 M145 A180 K195 | I142-G197 CarbonylContact O-C 3.58Å; I142-G197 WeakPolarHBondContact O-CA 3.24Å; M145-G197 CarbonylContact O-C 3.52Å; M145-G197 WeakPolarHBondContact O-CA 3.47Å; M145-G197 PolarHBondContact O-N 3.22Å; M145-G197 VanDerWaalsContact O-N 3.15Å; A180-G197 WeakPolarHBondContact CB-O 3.46Å; A180-G197 PolarHBondContact N-O 3.09Å; A180-G197 VanDerWaalsContact N-O 3.08Å; K195-G197 VanDerWaalsContact C-N 3.25Å; K195-G197 PolarHBondContact O-N 3.47Å | ||
| 198 | V | 95.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.8 | -175.4 | 63.1 | 0 | 0 | 0 | 0 | 110.3 | I142 M145 V147 M150 I177 V200 | I142-V198 HydrophobicContact CB-CG1 3.87Å; I142-V198 HydrophobicContact CD1-CG1 4.27Å; I142-V198 HydrophobicContact CG1-CG1 4.48Å; I142-V198 PolarHBondContact N-O 3.16Å; I142-V198 PolarHBondContact O-N 3.32Å; M145-V198 HydrophobicContact CB-CG1 3.88Å; V147-V198 HydrophobicContact CG2-CG2 4Å; M150-V198 HydrophobicContact CB-CG1 4.18Å; M150-V198 HydrophobicContact CB-CG2 4.47Å; M150-V198 HydrophobicContact CG-CG1 4.15Å; M150-V198 HydrophobicContact CG-CG2 4.45Å; I177-V198 HydrophobicContact CG2-CG2 3.37Å; V198-V200 HydrophobicContact CG1-CG2 4.21Å; V198-V200 HydrophobicContact CG2-CG2 4.12Å |
| 199 | Y | 95.8 | Very high | 89.1 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.4 | 168.2 | -69.2 | -93.1 | 0 | 0 | 0 | 108.7 | E139 F140 Y141 I177 T178 A180 R183 | E139-Y199 HydrophobicContact CG-CD1 4.13Å; F140-Y199 CarbonylContact O-C 3.35Å; F140-Y199 VanDerWaalsContact O-CA 3.29Å; F140-Y199 WeakPolarHBondContact O-CA 3.49Å; Y141-Y199 AromaticContact CD2-CD1 3.87Å; Y141-Y199 HydrophobicContact CD2-CD1 3.87Å; Y141-Y199 AromaticContact CD2-CD2 3.7Å; Y141-Y199 HydrophobicContact CD2-CD2 3.7Å; Y141-Y199 AromaticContact CD2-CE1 3.59Å; Y141-Y199 HydrophobicContact CD2-CE1 3.59Å; Y141-Y199 AromaticContact CD2-CE2 3.39Å; Y141-Y199 HydrophobicContact CD2-CE2 3.39Å; Y141-Y199 AromaticContact CD2-CG 3.92Å; Y141-Y199 HydrophobicContact CD2-CG 3.92Å; Y141-Y199 AromaticContact CD2-CZ 3.32Å; Y141-Y199 HydrophobicContact CE2-CD2 4.08Å; Y141-Y199 HydrophobicContact CE2-CE1 4.5Å; Y141-Y199 AromaticContact CE2-CE2 3.57Å; Y141-Y199 HydrophobicContact CE2-CE2 3.57Å; Y141-Y199 AromaticContact CE2-CZ 3.8Å; Y141-Y199 HydrophobicContact CG-CD1 4.25Å; Y141-Y199 AromaticContact CG-CE1 3.78Å; Y141-Y199 HydrophobicContact CG-CE1 3.78Å; Y141-Y199 HydrophobicContact CG-CE2 4.31Å; Y141-Y199 AromaticContact CG-CZ 3.8Å; I177-Y199 WeakPolarHBondContact CA-O 3.31Å; T178-Y199 PolarHBondContact N-O 2.8Å; T178-Y199 PolarHBondContact O-N 3.16Å; T178-Y199 WeakPolarHBondContact OG1-CB 3.42Å; A180-Y199 HydrophobicContact CB-CE2 4.28Å; R183-Y199 HydrophobicContact CG-CD2 4.49Å; R183-Y199 HydrophobicContact CG-CE2 4.47Å |
| 200 | V | 96.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 114.2 | 178.2 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | F140 I142 M150 F159 I177 V198 V202 | F140-V200 PolarHBondContact N-O 2.91Å; F140-V200 PolarHBondContact O-N 3.19Å; I142-V200 HydrophobicContact CD1-CG2 3.91Å; M150-V200 HydrophobicContact CE-CB 4.48Å; M150-V200 HydrophobicContact CE-CG1 4.19Å; M150-V200 HydrophobicContact CE-CG2 3.71Å; M150-V200 HydrophobicContact CG-CG2 3.89Å; M150-V200 HydrophobicContact SD-CG2 4.22Å; F159-V200 HydrophobicContact CD1-CG1 4.06Å; F159-V200 HydrophobicContact CE1-CB 3.98Å; F159-V200 HydrophobicContact CE1-CG1 3.55Å; F159-V200 HydrophobicContact CZ-CB 4.38Å; F159-V200 HydrophobicContact CZ-CG1 4.41Å; I177-V200 HydrophobicContact CD1-CG1 4.47Å; I177-V200 HydrophobicContact CD1-CG2 4.5Å; I177-V200 HydrophobicContact CG1-CG1 4.19Å; I177-V200 HydrophobicContact CG1-CG2 4.33Å; V198-V200 HydrophobicContact CG1-CG2 4.21Å; V198-V200 HydrophobicContact CG2-CG2 4.12Å; V200-V202 HydrophobicContact CG1-CG2 4.02Å |
| 201 | M | 95.4 | Very high | 90.5 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 20% | 0.197 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 125.6 | 176 | -173.3 | 178.8 | -73 | 0 | 0 | 109 | Q137 E139 I175 N176 | Q137-M201 PolarHBondContact OE1-SD 3.01Å; Q137-M201 VanDerWaalsContact OE1-SD 3.39Å; E139-M201 WeakPolarHBondContact OE1-CE 3.48Å; I175-M201 HydrophobicContact CB-CB 4.44Å; I175-M201 HydrophobicContact CB-CG 4.12Å; I175-M201 HydrophobicContact CB-SD 4.35Å; I175-M201 HydrophobicContact CG2-CG 4.45Å; I175-M201 HydrophobicContact CG2-SD 4.02Å; I175-M201 PolarHBondContact N-O 3.43Å; N176-M201 HydrophobicContact CB-CB 4.13Å; N176-M201 HydrophobicContact CB-SD 4.49Å; N176-M201 PolarHBondContact N-O 2.87Å; N176-M201 PolarHBondContact O-N 3.23Å |
| 202 | V | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.8 | -177.6 | -167.5 | 0 | 0 | 0 | 0 | 109.1 | Q137 A138 F140 F159 L160 V163 L172 N173 V200 | Q137-V202 CarbonylContact C-O 3.47Å; Q137-V202 WeakPolarHBondContact CA-O 3.44Å; A138-V202 PolarHBondContact N-O 3.45Å; A138-V202 PolarHBondContact O-N 3.01Å; F140-V202 HydrophobicContact CD2-CG2 4.08Å; F140-V202 HydrophobicContact CE2-CB 4.32Å; F140-V202 HydrophobicContact CE2-CG2 4.09Å; F159-V202 HydrophobicContact CE1-CG2 3.83Å; L160-V202 HydrophobicContact CD2-CG1 3.8Å; L160-V202 HydrophobicContact CD2-CG2 4.15Å; V163-V202 HydrophobicContact CG1-CG1 4.34Å; L172-V202 HydrophobicContact CD1-CG1 3.43Å; L172-V202 VanDerWaalsContact CD1-CG1 3.43Å; L172-V202 HydrophobicContact CD2-CG1 4.1Å; L172-V202 HydrophobicContact CG-CG1 3.6Å; N173-V202 WeakPolarHBondContact O-CA 3.46Å; N173-V202 WeakPolarHBondContact O-CG1 3.41Å; V200-V202 HydrophobicContact CG1-CG2 4.02Å |
| 203 | G | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 146 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L134 Y136 L172 N173 I175 | L134-G203 VanDerWaalsContact CD1-O 3.28Å; L134-G203 WeakPolarHBondContact CD1-O 3.43Å; Y136-G203 CarbonylContact O-C 3.36Å; Y136-G203 WeakPolarHBondContact O-CA 3.45Å; L172-G203 WeakPolarHBondContact CA-O 3.36Å; L172-G203 WeakPolarHBondContact CD1-O 3.4Å; N173-G203 PolarHBondContact N-O 3.34Å; N173-G203 VanDerWaalsContact N-O 3.1Å; N173-G203 PolarHBondContact O-N 3.5Å; I175-G203 VanDerWaalsContact CD1-CA 3.48Å |
| 204 | A | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 157 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P135 Y136 W167 P169 R171 L172 | P135-A204 WeakPolarHBondContact CD-O 3.14Å; Y136-A204 PolarHBondContact N-O 3.45Å; Y136-A204 PolarHBondContact O-N 2.99Å; W167-A204 HydrophobicContact CD2-CB 3.94Å; W167-A204 HydrophobicContact CE3-CB 4.15Å; W167-A204 HydrophobicContact CH2-CB 3.67Å; W167-A204 HydrophobicContact CZ2-CB 3.43Å; W167-A204 VanDerWaalsContact CZ2-CB 3.43Å; W167-A204 HydrophobicContact CZ3-CB 4.02Å; P169-A204 HydrophobicContact CB-CB 4.02Å; R171-A204 WeakPolarHBondContact O-CA 3.19Å; L172-A204 HydrophobicContact CD1-CB 4.08Å |
| 205 | D | 92.2 | Very high | 93.7 | Very high | 43 Ų | 43 | 34.9 Ų | 34.9 | 23% | 0.23 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -83.1 | -23.5 | 174 | 55.6 | -9.6 | 0 | 0 | 0 | 113.6 | L134 P169 E170 R171 | L134-D205 HydrophobicContact CD2-CB 4.29Å; P169-D205 WeakPolarHBondContact CB-OD1 3.43Å; E170-D205 WeakPolarHBondContact CB-OD2 3.38Å; E170-D205 PolarHBondContact N-OD1 2.86Å; R171-D205 HydrophobicContact CB-CB 4.37Å; R171-D205 WeakPolarHBondContact CB-OD2 3.47Å; R171-D205 WeakPolarHBondContact CG-OD2 3.45Å; R171-D205 PolarHBondContact N-OD1 3.49Å; R171-D205 VanDerWaalsContact N-OD1 3.17Å; R171-D205 PolarHBondContact N-OD2 2.85Å; R171-D205 VanDerWaalsContact N-OD2 3.11Å; R171-D205 PolarHBondContact O-N 3.35Å |
| 206 | V | 93.3 | Very high | 93.8 | Very high | 43 Ų | 43 | 36.4 Ų | 36.4 | 26% | 0.261 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -100.7 | 152.2 | 180 | -54.6 | 0 | 0 | 0 | 0 | 113.1 | Y136 W167 P169 | Y136-V206 WeakPolarHBondContact CD2-O 3.32Å; W167-V206 PolarHBondContact NE1-O 2.78Å; W167-V206 VanDerWaalsContact NE1-O 3.1Å; P169-V206 HydrophobicContact CB-CG2 3.74Å |
| 207 | P | 93.7 | Very high | 94 | Very high | 79 Ų | 79 | 37.4 Ų | 37.4 | 51% | 0.513 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -56.2 | 157.3 | 173.6 | -22 | 30.6 | 0 | 0 | 0 | 113.4 | Y136 W167 S209 | Y136-P207 HydrophobicContact CE1-CB 4.18Å; Y136-P207 HydrophobicContact CE1-CG 4.38Å; Y136-P207 HydrophobicContact CE2-CB 4.34Å; Y136-P207 HydrophobicContact CE2-CG 3.92Å; W167-P207 PolarHBondContact NE1-O 2.76Å; P207-S209 PolarHBondContact O-N 2.83Å |
| 208 | F | 95.1 | Very high | 94.1 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -57.1 | 136.2 | 178.6 | -53.7 | -65.8 | 0 | 0 | 0 | 112.3 | Y136 Q137 A138 W167 L212 R213 L251 | Y136-F208 HydrophobicContact CD1-CD2 4.48Å; Y136-F208 HydrophobicContact CD1-CE2 4.07Å; Y136-F208 HydrophobicContact CD1-CZ 4.31Å; Q137-F208 WeakPolarHBondContact O-CZ 3.4Å; A138-F208 HydrophobicContact CB-CE1 4.12Å; W167-F208 AromaticContact CE2-CD1 3.79Å; W167-F208 AromaticContact CH2-CD1 3.78Å; W167-F208 HydrophobicContact CH2-CD1 3.78Å; W167-F208 AromaticContact CH2-CE1 3.5Å; W167-F208 HydrophobicContact CH2-CE1 3.5Å; W167-F208 AromaticContact CZ2-CD1 3.27Å; W167-F208 HydrophobicContact CZ2-CD1 3.27Å; W167-F208 AromaticContact CZ2-CE1 3.35Å; W167-F208 HydrophobicContact CZ2-CE1 3.35Å; W167-F208 HydrophobicContact CZ2-CG 4.35Å; W167-F208 HydrophobicContact CZ2-CZ 4.47Å; F208-L212 HydrophobicContact CB-CB 4.25Å; F208-L212 HydrophobicContact CD1-CD1 4.42Å; F208-R213 HydrophobicContact CB-CG 3.87Å; F208-L251 HydrophobicContact CD1-CB 4.45Å; F208-L251 HydrophobicContact CD1-CD1 4.41Å; F208-L251 HydrophobicContact CD1-CD2 3.87Å; F208-L251 HydrophobicContact CD1-CG 4.47Å; F208-L251 HydrophobicContact CD2-CB 4.13Å; F208-L251 HydrophobicContact CD2-CD1 4.29Å; F208-L251 HydrophobicContact CE1-CB 4.07Å; F208-L251 HydrophobicContact CE1-CD2 3.83Å; F208-L251 HydrophobicContact CE1-CG 4.43Å; F208-L251 HydrophobicContact CE2-CB 3.73Å; F208-L251 HydrophobicContact CG-CB 4.48Å; F208-L251 HydrophobicContact CG-CD1 4.15Å; F208-L251 HydrophobicContact CG-CD2 4.43Å; F208-L251 HydrophobicContact CZ-CB 3.71Å; F208-L251 HydrophobicContact CZ-CD2 4.36Å |
| 209 | S | 94.4 | Very high | 94 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 161.3 | 175.4 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | V166 P207 C211 L212 R213 | V166-S209 VanDerWaalsContact O-CB 3.26Å; V166-S209 WeakPolarHBondContact O-CB 3.49Å; V166-S209 PolarHBondContact O-OG 2.9Å; P207-S209 PolarHBondContact O-N 2.83Å; S209-C211 PolarHBondContact O-N 3.08Å; S209-L212 PolarHBondContact O-N 3.42Å; S209-L212 VanDerWaalsContact O-N 3.14Å; S209-R213 WeakPolarHBondContact O-CG 3.36Å; S209-R213 PolarHBondContact O-N 3.01Å; S209-R213 VanDerWaalsContact O-N 3.14Å |
| 210 | S | 93.3 | Very high | 93.9 | Very high | 104 Ų | 104 | 49.4 Ų | 49.4 | 73% | 0.727 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -37.3 | 179.5 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | R213 E214 | S210-R213 PolarHBondContact O-N 2.78Å; S210-E214 PolarHBondContact O-N 3.48Å |
| 211 | C | 94.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 5% | 0.054 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -49.2 | 176.8 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | V166 S209 R213 E214 I232 S233 C234 | V166-C211 HydrophobicContact CG1-CB 4.41Å; S209-C211 PolarHBondContact O-N 3.08Å; C211-R213 PolarHBondContact O-N 2.98Å; C211-E214 WeakPolarHBondContact O-CB 3.38Å; C211-E214 WeakPolarHBondContact O-CG 3.42Å; C211-E214 PolarHBondContact O-N 2.96Å; C211-I232 VanDerWaalsContact SG-CG2 3.58Å; C211-S233 PolarHBondContact SG-OG 3.22Å; C211-C234 HydrophobicContact CB-CB 3.74Å; C211-C234 WeakPolarHBondContact CB-SG 3.48Å; C211-C234 VanDerWaalsContact SG-CA 3.56Å; C211-C234 WeakPolarHBondContact SG-CB 3.49Å; C211-C234 PolarHBondContact SG-N 3.42Å; C211-C234 CovalentContact SG-SG 2.01Å; C211-C234 PolarHBondContact SG-SG 3.4Å |
| 212 | L | 94.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -59.9 | -36.2 | -178.7 | -69.8 | 177 | 0 | 0 | 0 | 110.8 | F140 V166 W167 F208 S209 E214 V215 W246 I249 L251 | F140-L212 HydrophobicContact CE1-CD2 4Å; F140-L212 HydrophobicContact CZ-CD2 4.11Å; V166-L212 HydrophobicContact CG1-CD2 4.41Å; V166-L212 HydrophobicContact CG1-CG 4.32Å; W167-L212 HydrophobicContact CB-CD1 4.12Å; W167-L212 HydrophobicContact CD2-CD1 3.72Å; W167-L212 HydrophobicContact CE3-CD1 3.9Å; W167-L212 HydrophobicContact CG-CD1 3.85Å; F208-L212 HydrophobicContact CB-CB 4.25Å; F208-L212 HydrophobicContact CD1-CD1 4.42Å; S209-L212 PolarHBondContact O-N 3.42Å; S209-L212 VanDerWaalsContact O-N 3.14Å; L212-E214 PolarHBondContact O-N 3.08Å; L212-V215 WeakPolarHBondContact O-CB 3.42Å; L212-V215 VanDerWaalsContact O-CG2 3.3Å; L212-V215 WeakPolarHBondContact O-CG2 3.2Å; L212-V215 PolarHBondContact O-N 2.96Å; L212-W246 HydrophobicContact CD2-CH2 4.48Å; L212-W246 HydrophobicContact CD2-CZ3 4.08Å; L212-I249 HydrophobicContact CD2-CD1 4.29Å; L212-L251 HydrophobicContact CB-CD1 4.38Å; L212-L251 WeakPolarHBondContact O-CD1 3.39Å |
| 213 | R | 94.4 | Very high | 93.6 | Very high | 151 Ų | 151 | 60.8 Ų | 60.8 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -67.8 | -14.9 | 175.2 | -66.6 | -176.4 | 64.6 | -159.9 | -4.5 | 114.4 | F208 S209 S210 C211 V215 E216 | F208-R213 HydrophobicContact CB-CG 3.87Å; S209-R213 WeakPolarHBondContact O-CG 3.36Å; S209-R213 PolarHBondContact O-N 3.01Å; S209-R213 VanDerWaalsContact O-N 3.14Å; S210-R213 PolarHBondContact O-N 2.78Å; C211-R213 PolarHBondContact O-N 2.98Å; R213-V215 PolarHBondContact O-N 2.94Å; R213-E216 PolarHBondContact O-N 3.34Å; R213-E216 VanDerWaalsContact O-N 3.11Å |
| 214 | E | 94.3 | Very high | 93.6 | Very high | 52 Ų | 52 | 62.4 Ų | 62.4 | 24% | 0.243 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -63.1 | -22.2 | 174.8 | -67.6 | 170.3 | -163.8 | 0 | 0 | 112.2 | S210 C211 L212 E216 N217 N220 I232 S233 | S210-E214 PolarHBondContact O-N 3.48Å; C211-E214 WeakPolarHBondContact O-CB 3.38Å; C211-E214 WeakPolarHBondContact O-CG 3.42Å; C211-E214 PolarHBondContact O-N 2.96Å; L212-E214 PolarHBondContact O-N 3.08Å; E214-E216 VanDerWaalsContact C-N 3.3Å; E214-E216 PolarHBondContact O-N 2.71Å; E214-N217 WeakPolarHBondContact O-CB 3.28Å; E214-N217 PolarHBondContact O-N 3.07Å; E214-N220 PolarHBondContact O-ND2 3.15Å; E214-I232 HydrophobicContact CB-CD1 3.86Å; E214-I232 WeakPolarHBondContact OE2-CA 3.38Å; E214-S233 VanDerWaalsContact CD-OG 3.29Å; E214-S233 WeakPolarHBondContact OE1-CB 3.17Å; E214-S233 PolarHBondContact OE1-OG 3.4Å; E214-S233 PolarHBondContact OE2-N 2.74Å; E214-S233 PolarHBondContact OE2-OG 2.99Å |
| 215 | V | 92 | Very high | 93.6 | Very high | 23 Ų | 23 | 66.6 Ų | 66.6 | 14% | 0.139 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -62.9 | -39.1 | 174.2 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | L212 R213 N217 I232 W246 I249 | L212-V215 WeakPolarHBondContact O-CB 3.42Å; L212-V215 VanDerWaalsContact O-CG2 3.3Å; L212-V215 WeakPolarHBondContact O-CG2 3.2Å; L212-V215 PolarHBondContact O-N 2.96Å; R213-V215 PolarHBondContact O-N 2.94Å; V215-N217 PolarHBondContact O-N 3.13Å; V215-I232 HydrophobicContact CG2-CD1 3.99Å; V215-W246 HydrophobicContact CG2-CE3 3.86Å; V215-W246 HydrophobicContact CG2-CZ3 4.46Å; V215-I249 HydrophobicContact CB-CG2 3.82Å; V215-I249 HydrophobicContact CG1-CG2 3.15Å; V215-I249 HydrophobicContact CG2-CD1 4.44Å; V215-I249 HydrophobicContact CG2-CG2 3.46Å; V215-I249 VanDerWaalsContact CG2-CG2 3.46Å |
| 216 | E | 91.4 | Very high | 93.8 | Very high | 94 Ų | 94 | 69.8 Ų | 69.8 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -74.9 | -4.1 | 179.9 | -61.3 | -179.6 | 155.4 | 0 | 0 | 112.6 | R213 E214 Q221 L251 | R213-E216 PolarHBondContact O-N 3.34Å; R213-E216 VanDerWaalsContact O-N 3.11Å; E214-E216 VanDerWaalsContact C-N 3.3Å; E214-E216 PolarHBondContact O-N 2.71Å; E216-Q221 PolarHBondContact O-NE2 3.32Å; E216-L251 HydrophobicContact CG-CD1 4.43Å |
| 217 | N | 93.8 | Very high | 93.7 | Very high | 70 Ų | 70 | 76.8 Ų | 76.8 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -67 | 128.9 | 179 | -174.3 | -16.2 | 0 | 0 | 0 | 110.5 | E214 V215 R219 N220 Q221 | E214-N217 WeakPolarHBondContact O-CB 3.28Å; E214-N217 PolarHBondContact O-N 3.07Å; V215-N217 PolarHBondContact O-N 3.13Å; N217-R219 PolarHBondContact O-N 3.13Å; N217-R219 PolarHBondContact OD1-N 2.89Å; N217-R219 VanDerWaalsContact OD1-N 3.15Å; N217-N220 HydrophobicContact CB-CB 4.46Å; N217-N220 PolarHBondContact O-N 2.83Å; N217-Q221 PolarHBondContact O-N 3.26Å |
| 218 | P | 93.5 | Very high | 93.6 | Very high | 94 Ų | 94 | 76.9 Ų | 76.9 | 61% | 0.61 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -55.2 | -30.8 | 179.7 | 20.6 | -34.7 | 0 | 0 | 0 | 113.5 | L222 | P218-L222 WeakPolarHBondContact O-CB 2.96Å; P218-L222 PolarHBondContact O-N 3.18Å |
| 219 | R | 93.6 | Very high | 93.2 | Very high | 180 Ų | 180 | 82.3 Ų | 82.3 | 68% | 0.679 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.5 | -43.3 | 175.7 | -172.3 | 178.4 | -179.5 | -172.9 | -2 | 111.8 | N217 L222 R223 | N217-R219 PolarHBondContact O-N 3.13Å; N217-R219 PolarHBondContact OD1-N 2.89Å; N217-R219 VanDerWaalsContact OD1-N 3.15Å; R219-L222 PolarHBondContact O-N 2.87Å; R219-R223 WeakPolarHBondContact O-CG 3.28Å; R219-R223 PolarHBondContact O-N 2.92Å; R219-R223 VanDerWaalsContact O-N 3.16Å |
| 220 | N | 93.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 82.4 Ų | 82.4 | 4% | 0.037 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -73.3 | -37.4 | 179.4 | -78 | -24.7 | 0 | 0 | 0 | 111.3 | E214 N217 L222 R223 C224 P230 D231 I232 | E214-N220 PolarHBondContact O-ND2 3.15Å; N217-N220 HydrophobicContact CB-CB 4.46Å; N217-N220 PolarHBondContact O-N 2.83Å; N220-L222 VanDerWaalsContact C-N 3.32Å; N220-L222 PolarHBondContact O-N 2.83Å; N220-R223 PolarHBondContact O-N 3.42Å; N220-C224 PolarHBondContact O-N 2.82Å; N220-C224 PolarHBondContact O-SG 3.29Å; N220-C224 VanDerWaalsContact O-SG 3.38Å; N220-P230 HydrophobicContact CB-CB 3.88Å; N220-D231 PolarHBondContact ND2-O 3.09Å; N220-D231 PolarHBondContact OD1-N 3.25Å; N220-D231 PolarHBondContact OD1-O 3.49Å; N220-I232 WeakPolarHBondContact ND2-CD1 3.16Å |
| 221 | Q | 93.3 | Very high | 93.1 | Very high | 108 Ų | 108 | 82.6 Ų | 82.6 | 51% | 0.505 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 172.1 | -68 | 177.1 | -9.3 | 0 | 0 | 112.2 | E216 N217 C224 S225 | E216-Q221 PolarHBondContact O-NE2 3.32Å; N217-Q221 PolarHBondContact O-N 3.26Å; Q221-C224 WeakPolarHBondContact O-CB 2.94Å; Q221-C224 PolarHBondContact O-N 2.85Å; Q221-S225 PolarHBondContact O-N 3.11Å |
| 222 | L | 94.2 | Very high | 93.1 | Very high | 96 Ų | 96 | 82.7 Ų | 82.7 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 175.3 | -176.2 | 66.7 | 0 | 0 | 0 | 111.5 | P218 R219 N220 C224 S225 Q226 | P218-L222 WeakPolarHBondContact O-CB 2.96Å; P218-L222 PolarHBondContact O-N 3.18Å; R219-L222 PolarHBondContact O-N 2.87Å; N220-L222 VanDerWaalsContact C-N 3.32Å; N220-L222 PolarHBondContact O-N 2.83Å; L222-C224 VanDerWaalsContact C-N 3.31Å; L222-C224 PolarHBondContact O-N 3.11Å; L222-S225 PolarHBondContact O-N 2.89Å; L222-S225 VanDerWaalsContact O-N 3.17Å; L222-S225 PolarHBondContact O-OG 3.07Å; L222-Q226 WeakPolarHBondContact O-CG 3.21Å; L222-Q226 PolarHBondContact O-N 3.3Å; L222-Q226 VanDerWaalsContact O-N 3.09Å |
| 223 | R | 94.4 | Very high | 93.1 | Very high | 75 Ų | 75 | 86.1 Ų | 86.1 | 28% | 0.283 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 175.8 | -67.3 | -176 | 79.8 | -169.9 | 1.9 | 111.3 | R219 N220 S225 Q226 E227 M228 E229 D231 | R219-R223 WeakPolarHBondContact O-CG 3.28Å; R219-R223 PolarHBondContact O-N 2.92Å; R219-R223 VanDerWaalsContact O-N 3.16Å; N220-R223 PolarHBondContact O-N 3.42Å; R223-S225 VanDerWaalsContact C-N 3.35Å; R223-S225 PolarHBondContact O-N 3.26Å; R223-Q226 CarbonylContact O-C 3.54Å; R223-Q226 WeakPolarHBondContact O-CA 3.49Å; R223-Q226 PolarHBondContact O-N 2.89Å; R223-Q226 VanDerWaalsContact O-N 3.07Å; R223-E227 PolarHBondContact O-N 2.89Å; R223-M228 CarbonylContact C-O 3.55Å; R223-M228 HydrophobicContact CB-CB 4.18Å; R223-M228 HydrophobicContact CG-CE 4.22Å; R223-M228 PolarHBondContact O-N 3.27Å; R223-E229 PolarHBondContact NE-O 3.29Å; R223-E229 VanDerWaalsContact NE-O 3.11Å; R223-E229 PolarHBondContact NH1-O 2.95Å; R223-E229 VanDerWaalsContact NH1-O 3.15Å; R223-E229 PolarHBondContact NH2-O 2.72Å; R223-D231 VanDerWaalsContact NH1-CB 3.34Å |
| 224 | C | 94.3 | Very high | 93 | Very high | 34 Ų | 34 | 79.2 Ų | 79.2 | 23% | 0.23 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 174.9 | -71 | 0 | 0 | 0 | 0 | 113 | N220 Q221 L222 Q226 E227 C247 | N220-C224 PolarHBondContact O-N 2.82Å; N220-C224 PolarHBondContact O-SG 3.29Å; N220-C224 VanDerWaalsContact O-SG 3.38Å; Q221-C224 WeakPolarHBondContact O-CB 2.94Å; Q221-C224 PolarHBondContact O-N 2.85Å; L222-C224 VanDerWaalsContact C-N 3.31Å; L222-C224 PolarHBondContact O-N 3.11Å; C224-Q226 PolarHBondContact O-N 3.03Å; C224-E227 PolarHBondContact O-N 3.13Å; C224-E227 VanDerWaalsContact O-N 3.13Å; C224-C247 WeakPolarHBondContact CA-SG 3.25Å; C224-C247 HydrophobicContact CB-CB 3.63Å; C224-C247 WeakPolarHBondContact CB-SG 3.38Å; C224-C247 WeakPolarHBondContact SG-CA 3.13Å; C224-C247 WeakPolarHBondContact SG-CB 3.3Å; C224-C247 CovalentContact SG-SG 2.04Å; C224-C247 PolarHBondContact SG-SG 3.24Å |
| 225 | S | 93.8 | Very high | 92.9 | Very high | 88 Ų | 88 | 77.6 Ų | 77.6 | 62% | 0.615 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66 | -22.9 | 175.8 | 74.6 | 0 | 0 | 0 | 0 | 113.6 | Q221 L222 R223 E227 | Q221-S225 PolarHBondContact O-N 3.11Å; L222-S225 PolarHBondContact O-N 2.89Å; L222-S225 VanDerWaalsContact O-N 3.17Å; L222-S225 PolarHBondContact O-OG 3.07Å; R223-S225 VanDerWaalsContact C-N 3.35Å; R223-S225 PolarHBondContact O-N 3.26Å; S225-E227 VanDerWaalsContact C-N 3.34Å |
| 226 | Q | 94.6 | Very high | 92.9 | Very high | 109 Ų | 109 | 85 Ų | 85 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 12.8 | 177.6 | -67.2 | 175.4 | -23.1 | 0 | 0 | 112.2 | L222 R223 C224 M228 | L222-Q226 WeakPolarHBondContact O-CG 3.21Å; L222-Q226 PolarHBondContact O-N 3.3Å; L222-Q226 VanDerWaalsContact O-N 3.09Å; R223-Q226 CarbonylContact O-C 3.54Å; R223-Q226 WeakPolarHBondContact O-CA 3.49Å; R223-Q226 PolarHBondContact O-N 2.89Å; R223-Q226 VanDerWaalsContact O-N 3.07Å; C224-Q226 PolarHBondContact O-N 3.03Å; Q226-M228 HydrophobicContact CB-CE 3.83Å; Q226-M228 HydrophobicContact CB-CG 4.41Å; Q226-M228 PolarHBondContact O-N 3.33Å; Q226-M228 VanDerWaalsContact O-N 3.11Å |
| 227 | E | 91.2 | Very high | 92.9 | Very high | 190 Ų | 190 | 86.5 Ų | 86.5 | 89% | 0.888 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 25.6 | -176.9 | -56.5 | -174.7 | 166.5 | 0 | 0 | 113.8 | R223 C224 S225 | R223-E227 PolarHBondContact O-N 2.89Å; C224-E227 PolarHBondContact O-N 3.13Å; C224-E227 VanDerWaalsContact O-N 3.13Å; S225-E227 VanDerWaalsContact C-N 3.34Å |
| 228 | M | 91.6 | Very high | 92.9 | Very high | 81 Ų | 81 | 83.3 Ų | 83.3 | 40% | 0.399 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -98.1 | 143.1 | 174.2 | -67.3 | -169.7 | -67.4 | 0 | 0 | 110.8 | R223 Q226 | R223-M228 CarbonylContact C-O 3.55Å; R223-M228 HydrophobicContact CB-CB 4.18Å; R223-M228 HydrophobicContact CG-CE 4.22Å; R223-M228 PolarHBondContact O-N 3.27Å; Q226-M228 HydrophobicContact CB-CE 3.83Å; Q226-M228 HydrophobicContact CB-CG 4.41Å; Q226-M228 PolarHBondContact O-N 3.33Å; Q226-M228 VanDerWaalsContact O-N 3.11Å |
| 229 | E | 88.5 | Confident | 92.7 | Very high | 143 Ų | 143 | 85.2 Ų | 85.2 | 67% | 0.668 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 128.9 | 174.3 | -67.3 | -174.5 | 164 | 0 | 0 | 110.6 | R223 | R223-E229 PolarHBondContact NE-O 3.29Å; R223-E229 VanDerWaalsContact NE-O 3.11Å; R223-E229 PolarHBondContact NH1-O 2.95Å; R223-E229 VanDerWaalsContact NH1-O 3.15Å; R223-E229 PolarHBondContact NH2-O 2.72Å |
| 230 | P | 92.9 | Very high | 92.5 | Very high | 22 Ų | 22 | 81.1 Ų | 81.1 | 14% | 0.143 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 159.6 | 177.8 | 29.6 | -34.3 | 0 | 0 | 0 | 111.5 | N220 I232 W246 | N220-P230 HydrophobicContact CB-CB 3.88Å; P230-I232 HydrophobicContact CB-CD1 4.44Å; P230-I232 HydrophobicContact CB-CG1 4.25Å; P230-I232 HydrophobicContact CG-CG1 4.16Å; P230-W246 HydrophobicContact CG-CB 3.55Å; P230-W246 HydrophobicContact CG-CG 4.47Å |
| 231 | D | 91.8 | Very high | 92.4 | Very high | 109 Ų | 109 | 85.3 Ų | 85.3 | 58% | 0.583 | 43% | 0.433 | S | S | * | . | trans | -92.8 | 103.8 | 175 | -160 | 11.1 | 0 | 0 | 0 | 108.7 | N220 R223 | N220-D231 PolarHBondContact ND2-O 3.09Å; N220-D231 PolarHBondContact OD1-N 3.25Å; N220-D231 PolarHBondContact OD1-O 3.49Å; R223-D231 VanDerWaalsContact NH1-CB 3.34Å | ||
| 232 | I | 94.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 80.4 Ų | 80.4 | 5% | 0.046 | 41% | 0.41 | C | S | . | . | trans | -120.7 | 121.7 | -178.3 | -56.3 | -64.3 | 0 | 0 | 0 | 109 | C211 E214 V215 N220 P230 C234 D235 W246 | C211-I232 VanDerWaalsContact SG-CG2 3.58Å; E214-I232 HydrophobicContact CB-CD1 3.86Å; E214-I232 WeakPolarHBondContact OE2-CA 3.38Å; V215-I232 HydrophobicContact CG2-CD1 3.99Å; N220-I232 WeakPolarHBondContact ND2-CD1 3.16Å; P230-I232 HydrophobicContact CB-CD1 4.44Å; P230-I232 HydrophobicContact CB-CG1 4.25Å; P230-I232 HydrophobicContact CG-CG1 4.16Å; I232-C234 VanDerWaalsContact C-N 3.3Å; I232-C234 PolarHBondContact O-N 3.38Å; I232-D235 HydrophobicContact CB-CB 4.19Å; I232-D235 HydrophobicContact CG2-CB 4.47Å; I232-D235 WeakPolarHBondContact O-CB 3Å; I232-D235 PolarHBondContact O-N 3.04Å; I232-W246 HydrophobicContact CB-CD2 4.28Å; I232-W246 HydrophobicContact CB-CG 4.44Å; I232-W246 HydrophobicContact CG1-CB 4.01Å; I232-W246 HydrophobicContact CG1-CD2 3.99Å; I232-W246 HydrophobicContact CG1-CE3 4.32Å; I232-W246 HydrophobicContact CG1-CG 3.84Å; I232-W246 HydrophobicContact CG2-CD2 4.04Å; I232-W246 HydrophobicContact CG2-CE3 4.03Å; I232-W246 HydrophobicContact CG2-CH2 4.21Å; I232-W246 HydrophobicContact CG2-CZ2 4.23Å; I232-W246 HydrophobicContact CG2-CZ3 4.11Å | ||
| 233 | S | 93.2 | Very high | 92.5 | Very high | 74 Ų | 74 | 80.7 Ų | 80.7 | 52% | 0.517 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -33.7 | -172.1 | 63.4 | 0 | 0 | 0 | 0 | 113.5 | C211 E214 | C211-S233 PolarHBondContact SG-OG 3.22Å; E214-S233 VanDerWaalsContact CD-OG 3.29Å; E214-S233 WeakPolarHBondContact OE1-CB 3.17Å; E214-S233 PolarHBondContact OE1-OG 3.4Å; E214-S233 PolarHBondContact OE2-N 2.74Å; E214-S233 PolarHBondContact OE2-OG 2.99Å |
| 234 | C | 93.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 77.8 Ų | 77.8 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -2.2 | -178.6 | 58.8 | 0 | 0 | 0 | 0 | 114.8 | V166 C211 I232 K236 K237 F238 | V166-C234 HydrophobicContact CG1-CB 3.78Å; V166-C234 WeakPolarHBondContact CG1-SG 3.48Å; V166-C234 HydrophobicContact CG2-CB 3.94Å; C211-C234 HydrophobicContact CB-CB 3.74Å; C211-C234 WeakPolarHBondContact CB-SG 3.48Å; C211-C234 VanDerWaalsContact SG-CA 3.56Å; C211-C234 WeakPolarHBondContact SG-CB 3.49Å; C211-C234 PolarHBondContact SG-N 3.42Å; C211-C234 CovalentContact SG-SG 2.01Å; C211-C234 PolarHBondContact SG-SG 3.4Å; I232-C234 VanDerWaalsContact C-N 3.3Å; I232-C234 PolarHBondContact O-N 3.38Å; C234-K236 PolarHBondContact O-N 3.45Å; C234-K236 VanDerWaalsContact O-N 3.17Å; C234-K237 HydrophobicContact CB-CD 4.36Å; C234-K237 WeakPolarHBondContact O-CB 3.32Å; C234-K237 PolarHBondContact O-N 2.87Å; C234-F238 WeakPolarHBondContact O-CD2 3.37Å |
| 235 | D | 92.9 | Very high | 92.5 | Very high | 18 Ų | 18 | 77.2 Ų | 77.2 | 10% | 0.096 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -53.3 | -39.1 | 178.2 | 174.4 | 54.1 | 0 | 0 | 0 | 112.5 | I232 K237 F238 R239 W246 | I232-D235 HydrophobicContact CB-CB 4.19Å; I232-D235 HydrophobicContact CG2-CB 4.47Å; I232-D235 WeakPolarHBondContact O-CB 3Å; I232-D235 PolarHBondContact O-N 3.04Å; D235-K237 PolarHBondContact O-N 3.29Å; D235-K237 VanDerWaalsContact O-N 3.08Å; D235-F238 PolarHBondContact O-N 3.32Å; D235-R239 PolarHBondContact O-N 3.44Å; D235-R239 VanDerWaalsContact O-N 3.08Å; D235-R239 IonicContact OD2-CZ 3.09Å; D235-R239 IonicContact OD2-NE 3.96Å; D235-R239 PolarHBondContact OD2-NE 3.49Å; D235-R239 IonicContact OD2-NH2 3.29Å; D235-R239 PolarHBondContact OD2-NH2 3.09Å; D235-W246 HydrophobicContact CB-CZ2 4.23Å; D235-W246 PolarHBondContact OD1-NE1 3.47Å |
| 236 | K | 91.4 | Very high | 92.5 | Very high | 179 Ų | 179 | 73.5 Ų | 73.5 | 78% | 0.778 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.9 | -26 | 178 | -64.1 | -177.9 | -177.4 | 176.7 | 0 | 113.8 | C234 F238 | C234-K236 PolarHBondContact O-N 3.45Å; C234-K236 VanDerWaalsContact O-N 3.17Å; K236-F238 VanDerWaalsContact C-N 3.31Å |
| 237 | K | 91.3 | Very high | 92.5 | Very high | 125 Ų | 125 | 70.8 Ų | 70.8 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -74.9 | -22.1 | 178.3 | -67.7 | 176 | 167.1 | -173.3 | 0 | 112.5 | N165 V166 C234 D235 | N165-K237 PolarHBondContact O-NZ 3.31Å; V166-K237 HydrophobicContact CG2-CB 4.19Å; V166-K237 HydrophobicContact CG2-CD 3.43Å; V166-K237 VanDerWaalsContact CG2-CD 3.43Å; V166-K237 HydrophobicContact CG2-CG 4.46Å; C234-K237 HydrophobicContact CB-CD 4.36Å; C234-K237 WeakPolarHBondContact O-CB 3.32Å; C234-K237 PolarHBondContact O-N 2.87Å; D235-K237 PolarHBondContact O-N 3.29Å; D235-K237 VanDerWaalsContact O-N 3.08Å |
| 238 | F | 93.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 66.7 Ų | 66.7 | 1% | 0.013 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -99.7 | -36.5 | -179 | -63.6 | -81.3 | 0 | 0 | 0 | 112.6 | A162 V163 V166 C234 D235 K236 A240 Q241 F242 I244 W246 | A162-F238 HydrophobicContact CB-CD1 3.76Å; A162-F238 HydrophobicContact CB-CE1 3.66Å; V163-F238 HydrophobicContact CG2-CE1 3.86Å; V163-F238 HydrophobicContact CG2-CZ 4.29Å; V166-F238 HydrophobicContact CB-CE2 4.28Å; V166-F238 HydrophobicContact CB-CZ 4.12Å; V166-F238 HydrophobicContact CG1-CE2 4.36Å; V166-F238 HydrophobicContact CG2-CE2 3.68Å; V166-F238 HydrophobicContact CG2-CZ 3.79Å; C234-F238 WeakPolarHBondContact O-CD2 3.37Å; D235-F238 PolarHBondContact O-N 3.32Å; K236-F238 VanDerWaalsContact C-N 3.31Å; F238-A240 PolarHBondContact O-N 2.83Å; F238-Q241 PolarHBondContact O-N 3.05Å; F238-Q241 VanDerWaalsContact O-N 3.08Å; F238-F242 CarbonylContact C-O 3.43Å; F238-F242 HydrophobicContact CB-CB 4.47Å; F238-F242 PolarHBondContact O-N 2.79Å; F238-I244 HydrophobicContact CB-CD1 3.65Å; F238-I244 HydrophobicContact CB-CG1 4.28Å; F238-I244 HydrophobicContact CD1-CD1 3.54Å; F238-I244 HydrophobicContact CD2-CD1 3.96Å; F238-I244 HydrophobicContact CE1-CD1 4.12Å; F238-I244 HydrophobicContact CE2-CD1 4.48Å; F238-I244 HydrophobicContact CG-CD1 3.44Å; F238-I244 VanDerWaalsContact CG-CD1 3.44Å; F238-W246 AromaticContact CD2-CH2 4Å; F238-W246 HydrophobicContact CD2-CH2 4Å; F238-W246 AromaticContact CD2-CZ2 3.78Å; F238-W246 HydrophobicContact CD2-CZ2 3.78Å; F238-W246 AromaticContact CE2-CH2 3.83Å; F238-W246 HydrophobicContact CE2-CH2 3.83Å; F238-W246 HydrophobicContact CE2-CZ2 4.11Å |
| 239 | R | 89.9 | Confident | 92.6 | Very high | 133 Ų | 133 | 63.7 Ų | 63.7 | 50% | 0.502 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -19.9 | -171.9 | -87.5 | -140.3 | -119 | 175.2 | -10.7 | 116.9 | D235 Q241 | D235-R239 PolarHBondContact O-N 3.44Å; D235-R239 VanDerWaalsContact O-N 3.08Å; D235-R239 IonicContact OD2-CZ 3.09Å; D235-R239 IonicContact OD2-NE 3.96Å; D235-R239 PolarHBondContact OD2-NE 3.49Å; D235-R239 IonicContact OD2-NH2 3.29Å; D235-R239 PolarHBondContact OD2-NH2 3.09Å; R239-Q241 PolarHBondContact O-N 2.78Å |
| 240 | A | 88.9 | Confident | 92.8 | Very high | 95 Ų | 95 | 59.4 Ų | 59.4 | 79% | 0.785 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -34.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F238 | F238-A240 PolarHBondContact O-N 2.83Š|
| 241 | Q | 91 | Very high | 92.8 | Very high | 95 Ų | 95 | 59.5 Ų | 59.5 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | -29 | -177.5 | -68.4 | 179.9 | -11.3 | 0 | 0 | 113 | N144 F238 R239 | N144-Q241 PolarHBondContact ND2-O 2.96Å; F238-Q241 PolarHBondContact O-N 3.05Å; F238-Q241 VanDerWaalsContact O-N 3.08Å; R239-Q241 PolarHBondContact O-N 2.78Å |
| 242 | F | 95.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | trans | -122.1 | 118.9 | -171.6 | -53.7 | -72.5 | 0 | 0 | 0 | 111.5 | I142 M145 M150 V155 D158 F159 F238 I244 | I142-F242 HydrophobicContact CD1-CD1 4.28Å; I142-F242 HydrophobicContact CG2-CB 4.36Å; I142-F242 HydrophobicContact CG2-CD1 4.33Å; M145-F242 HydrophobicContact CE-CD1 4.32Å; M145-F242 HydrophobicContact CE-CE1 4.22Å; M145-F242 HydrophobicContact CG-CD1 4.42Å; M150-F242 HydrophobicContact SD-CE1 4.34Å; V155-F242 HydrophobicContact CG1-CE1 3.88Å; V155-F242 HydrophobicContact CG1-CZ 4.18Å; D158-F242 HydrophobicContact CB-CZ 4.4Å; F159-F242 HydrophobicContact CB-CE1 4.06Å; F159-F242 HydrophobicContact CB-CE2 3.92Å; F159-F242 HydrophobicContact CB-CZ 3.62Å; F159-F242 HydrophobicContact CD2-CD1 4.19Å; F159-F242 HydrophobicContact CD2-CD2 4.02Å; F159-F242 HydrophobicContact CD2-CE1 4.34Å; F159-F242 HydrophobicContact CD2-CE2 4.19Å; F159-F242 HydrophobicContact CD2-CG 4.02Å; F159-F242 HydrophobicContact CD2-CZ 4.35Å; F159-F242 HydrophobicContact CG-CZ 4.48Å; F238-F242 CarbonylContact C-O 3.43Å; F238-F242 HydrophobicContact CB-CB 4.47Å; F238-F242 PolarHBondContact O-N 2.79Å; F242-I244 HydrophobicContact CB-CG1 4.3Å; F242-I244 PolarHBondContact O-N 3.42Å | ||
| 243 | H | 94.3 | Very high | 92.6 | Very high | 103 Ų | 103 | 57.3 Ų | 57.3 | 48% | 0.477 | 30% | 0.298 | S | S | . | . | trans | -90.8 | 89.8 | 174.1 | -69.4 | -169.9 | 0 | 0 | 0 | 109.3 | K143 N144 | K143-H243 PolarHBondContact N-O 3.29Å; N144-H243 HydrophobicContact CB-CB 4.08Å; N144-H243 PolarHBondContact OD1-N 3.09Å | ||
| 244 | I | 95.2 | Very high | 92.2 | Very high | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -83.1 | 133.9 | -178.5 | -57.2 | 178.1 | 0 | 0 | 0 | 110 | F140 Y141 I142 F159 F238 F242 W246 | F140-I244 HydrophobicContact CD1-CD1 4.14Å; F140-I244 HydrophobicContact CD1-CG2 4.29Å; Y141-I244 CarbonylContact O-C 3.6Å; Y141-I244 WeakPolarHBondContact O-CA 3.35Å; I142-I244 HydrophobicContact CG1-CG1 4.4Å; F159-I244 HydrophobicContact CE2-CD1 4.3Å; F238-I244 HydrophobicContact CB-CD1 3.65Å; F238-I244 HydrophobicContact CB-CG1 4.28Å; F238-I244 HydrophobicContact CD1-CD1 3.54Å; F238-I244 HydrophobicContact CD2-CD1 3.96Å; F238-I244 HydrophobicContact CE1-CD1 4.12Å; F238-I244 HydrophobicContact CE2-CD1 4.48Å; F238-I244 HydrophobicContact CG-CD1 3.44Å; F238-I244 VanDerWaalsContact CG-CD1 3.44Å; F242-I244 HydrophobicContact CB-CG1 4.3Å; F242-I244 PolarHBondContact O-N 3.42Å; I244-W246 HydrophobicContact CB-CZ2 4.35Å; I244-W246 HydrophobicContact CD1-CZ2 4.19Å; I244-W246 HydrophobicContact CG2-CD2 4.17Å; I244-W246 HydrophobicContact CG2-CZ2 4.33Å; I244-W246 PolarHBondContact O-N 2.83Å |
| 245 | D | 94.1 | Very high | 91.5 | Very high | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | trans | -89.3 | 95.3 | 168 | -163.5 | -15.5 | 0 | 0 | 0 | 110.5 | Y141 K143 C247 K248 | Y141-D245 HydrophobicContact CD1-CB 3.55Å; Y141-D245 HydrophobicContact CE1-CB 4.38Å; Y141-D245 HydrophobicContact CG-CB 4.39Å; Y141-D245 PolarHBondContact O-N 3.17Å; K143-D245 HydrophobicContact CD-CB 4.33Å; K143-D245 WeakPolarHBondContact CE-OD2 3.42Å; K143-D245 HydrophobicContact CG-CB 4.45Å; K143-D245 IonicContact NZ-OD1 2.83Å; K143-D245 IonicContact NZ-OD2 3.32Å; K143-D245 PolarHBondContact NZ-OD2 2.89Å; D245-C247 PolarHBondContact O-N 3.45Å; D245-C247 VanDerWaalsContact O-N 3.16Å; D245-C247 WeakPolarHBondContact OD1-CB 3.1Å; D245-C247 PolarHBondContact OD1-N 2.97Å; D245-K248 HydrophobicContact CB-CB 4.44Å; D245-K248 PolarHBondContact O-N 3.4Å | ||
| 246 | W | 93.9 | Very high | 90.6 | Very high | 10 Ų | 10 | 68.9 Ų | 68.9 | 4% | 0.038 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -64 | -16.8 | 179.3 | -63.2 | 100 | 0 | 0 | 0 | 113.7 | L212 V215 P230 I232 D235 F238 I244 K248 I249 | L212-W246 HydrophobicContact CD2-CH2 4.48Å; L212-W246 HydrophobicContact CD2-CZ3 4.08Å; V215-W246 HydrophobicContact CG2-CE3 3.86Å; V215-W246 HydrophobicContact CG2-CZ3 4.46Å; P230-W246 HydrophobicContact CG-CB 3.55Å; P230-W246 HydrophobicContact CG-CG 4.47Å; I232-W246 HydrophobicContact CB-CD2 4.28Å; I232-W246 HydrophobicContact CB-CG 4.44Å; I232-W246 HydrophobicContact CG1-CB 4.01Å; I232-W246 HydrophobicContact CG1-CD2 3.99Å; I232-W246 HydrophobicContact CG1-CE3 4.32Å; I232-W246 HydrophobicContact CG1-CG 3.84Å; I232-W246 HydrophobicContact CG2-CD2 4.04Å; I232-W246 HydrophobicContact CG2-CE3 4.03Å; I232-W246 HydrophobicContact CG2-CH2 4.21Å; I232-W246 HydrophobicContact CG2-CZ2 4.23Å; I232-W246 HydrophobicContact CG2-CZ3 4.11Å; D235-W246 HydrophobicContact CB-CZ2 4.23Å; D235-W246 PolarHBondContact OD1-NE1 3.47Å; F238-W246 AromaticContact CD2-CH2 4Å; F238-W246 HydrophobicContact CD2-CH2 4Å; F238-W246 AromaticContact CD2-CZ2 3.78Å; F238-W246 HydrophobicContact CD2-CZ2 3.78Å; F238-W246 AromaticContact CE2-CH2 3.83Å; F238-W246 HydrophobicContact CE2-CH2 3.83Å; F238-W246 HydrophobicContact CE2-CZ2 4.11Å; I244-W246 HydrophobicContact CB-CZ2 4.35Å; I244-W246 HydrophobicContact CD1-CZ2 4.19Å; I244-W246 HydrophobicContact CG2-CD2 4.17Å; I244-W246 HydrophobicContact CG2-CZ2 4.33Å; I244-W246 PolarHBondContact O-N 2.83Å; W246-K248 VanDerWaalsContact C-N 3.27Å; W246-K248 PolarHBondContact O-N 2.74Å; W246-I249 HydrophobicContact CE3-CD1 3.9Å; W246-I249 HydrophobicContact CE3-CG2 4.49Å; W246-I249 HydrophobicContact CZ3-CD1 3.72Å; W246-I249 WeakPolarHBondContact O-CG2 3.35Å |
| 247 | C | 93.4 | Very high | 89.4 | Confident | 53 Ų | 53 | 64.4 Ų | 64.4 | 36% | 0.358 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -78 | -13.2 | 174.7 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | C224 D245 | C224-C247 WeakPolarHBondContact CA-SG 3.25Å; C224-C247 HydrophobicContact CB-CB 3.63Å; C224-C247 WeakPolarHBondContact CB-SG 3.38Å; C224-C247 WeakPolarHBondContact SG-CA 3.13Å; C224-C247 WeakPolarHBondContact SG-CB 3.3Å; C224-C247 CovalentContact SG-SG 2.04Å; C224-C247 PolarHBondContact SG-SG 3.24Å; D245-C247 PolarHBondContact O-N 3.45Å; D245-C247 VanDerWaalsContact O-N 3.16Å; D245-C247 WeakPolarHBondContact OD1-CB 3.1Å; D245-C247 PolarHBondContact OD1-N 2.97Å |
| 248 | K | 92.9 | Very high | 87.3 | Confident | 103 Ų | 103 | 63.7 Ų | 63.7 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -114.9 | 11.4 | -179.7 | -65.7 | -173.9 | -179.7 | -178.5 | 0 | 113.4 | Y141 D245 W246 | Y141-K248 HydrophobicContact CD1-CB 4.38Å; Y141-K248 HydrophobicContact CD1-CD 3.68Å; Y141-K248 HydrophobicContact CE1-CD 4.11Å; Y141-K248 HydrophobicContact CG-CB 4.47Å; Y141-K248 HydrophobicContact CG-CD 4.27Å; D245-K248 HydrophobicContact CB-CB 4.44Å; D245-K248 PolarHBondContact O-N 3.4Å; W246-K248 VanDerWaalsContact C-N 3.27Å; W246-K248 PolarHBondContact O-N 2.74Å |
| 249 | I | 93.2 | Very high | 85.1 | Confident | 18 Ų | 18 | 67 Ų | 67 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | trans | -77.1 | 138.2 | 175.6 | -166.6 | -179.4 | 0 | 0 | 0 | 109.8 | E139 F140 L212 V215 W246 L251 | E139-I249 VanDerWaalsContact O-CA 3.25Å; E139-I249 WeakPolarHBondContact O-CA 3.36Å; E139-I249 VanDerWaalsContact O-CG1 3.22Å; E139-I249 WeakPolarHBondContact O-CG1 3.42Å; F140-I249 HydrophobicContact CD1-CD1 3.71Å; F140-I249 HydrophobicContact CD1-CG1 4.21Å; F140-I249 HydrophobicContact CE1-CD1 3.56Å; F140-I249 HydrophobicContact CE1-CG1 4.44Å; F140-I249 HydrophobicContact CZ-CD1 4.32Å; L212-I249 HydrophobicContact CD2-CD1 4.29Å; V215-I249 HydrophobicContact CB-CG2 3.82Å; V215-I249 HydrophobicContact CG1-CG2 3.15Å; V215-I249 HydrophobicContact CG2-CD1 4.44Å; V215-I249 HydrophobicContact CG2-CG2 3.46Å; V215-I249 VanDerWaalsContact CG2-CG2 3.46Å; W246-I249 HydrophobicContact CE3-CD1 3.9Å; W246-I249 HydrophobicContact CE3-CG2 4.49Å; W246-I249 HydrophobicContact CZ3-CD1 3.72Å; W246-I249 WeakPolarHBondContact O-CG2 3.35Å; I249-L251 HydrophobicContact CD1-CD2 4.3Å; I249-L251 HydrophobicContact CG1-CD2 4.39Å | ||
| 250 | S | 92.4 | Very high | 82.8 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 37% | 0.371 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.3 | 177.3 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | A138 E139 | A138-S250 CarbonylContact C-O 3.57Å; A138-S250 WeakPolarHBondContact CA-O 3.45Å; E139-S250 PolarHBondContact N-O 2.84Å; E139-S250 PolarHBondContact O-N 2.84Å; E139-S250 VanDerWaalsContact O-N 3.13Å |
| 251 | L | 93.8 | Very high | 80.5 | Confident | 25 Ų | 25 | 71 Ų | 71 | 13% | 0.131 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.3 | 176.7 | -56.8 | -177 | 0 | 0 | 0 | 108.3 | A138 F208 L212 E216 I249 | A138-L251 HydrophobicContact CB-CD2 3.64Å; F208-L251 HydrophobicContact CD1-CB 4.45Å; F208-L251 HydrophobicContact CD1-CD1 4.41Å; F208-L251 HydrophobicContact CD1-CD2 3.87Å; F208-L251 HydrophobicContact CD1-CG 4.47Å; F208-L251 HydrophobicContact CD2-CB 4.13Å; F208-L251 HydrophobicContact CD2-CD1 4.29Å; F208-L251 HydrophobicContact CE1-CB 4.07Å; F208-L251 HydrophobicContact CE1-CD2 3.83Å; F208-L251 HydrophobicContact CE1-CG 4.43Å; F208-L251 HydrophobicContact CE2-CB 3.73Å; F208-L251 HydrophobicContact CG-CB 4.48Å; F208-L251 HydrophobicContact CG-CD1 4.15Å; F208-L251 HydrophobicContact CG-CD2 4.43Å; F208-L251 HydrophobicContact CZ-CB 3.71Å; F208-L251 HydrophobicContact CZ-CD2 4.36Å; L212-L251 HydrophobicContact CB-CD1 4.38Å; L212-L251 WeakPolarHBondContact O-CD1 3.39Å; E216-L251 HydrophobicContact CG-CD1 4.43Å; I249-L251 HydrophobicContact CD1-CD2 4.3Å; I249-L251 HydrophobicContact CG1-CD2 4.39Å |
| 252 | V | 91.4 | Very high | 78 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 32% | 0.321 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.6 | -175.8 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | Q137 V257 | Q137-V252 PolarHBondContact N-O 3.13Å; Q137-V252 PolarHBondContact O-N 2.8Å; V252-V257 HydrophobicContact CG1-CG2 3.84Å |
| 253 | D | 90.4 | Very high | 75.3 | Confident | 19 Ų | 19 | 76.5 Ų | 76.5 | 10% | 0.102 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 99.1 | 169.9 | 179.8 | -12.4 | 0 | 0 | 0 | 108 | Y136 N255 K256 V257 | Y136-D253 HydrophobicContact CD1-CB 4.06Å; Y136-D253 HydrophobicContact CE1-CB 4.07Å; Y136-D253 VanDerWaalsContact CE1-CG 3.45Å; Y136-D253 WeakPolarHBondContact CE1-OD2 3.38Å; D253-N255 PolarHBondContact O-N 2.81Å; D253-N255 VanDerWaalsContact O-N 3.13Å; D253-N255 PolarHBondContact OD1-N 3.08Å; D253-K256 HydrophobicContact CB-CB 4.34Å; D253-K256 HydrophobicContact CB-CD 4.38Å; D253-K256 HydrophobicContact CB-CG 4.48Å; D253-K256 PolarHBondContact O-N 2.87Å; D253-K256 WeakPolarHBondContact OD2-CD 3.46Å; D253-K256 WeakPolarHBondContact OD2-CE 3.45Å; D253-K256 WeakPolarHBondContact OD2-CG 3.49Å; D253-K256 IonicContact OD2-NZ 3.69Å; D253-K256 PolarHBondContact OD2-NZ 3.35Å; D253-V257 WeakPolarHBondContact O-CG2 3.12Å; D253-V257 PolarHBondContact O-N 2.82Å; D253-V257 VanDerWaalsContact O-N 3.12Å |
| 254 | I | 83.6 | Confident | 72.8 | Confident | 55 Ų | 55 | 81.7 Ų | 81.7 | 28% | 0.282 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -33.1 | -172.3 | -56.9 | 170.6 | 0 | 0 | 0 | 111.3 | P133 L134 P135 Q137 K256 V257 | P133-I254 HydrophobicContact CB-CD1 4.2Å; L134-I254 WeakPolarHBondContact O-CD1 3.44Å; P135-I254 WeakPolarHBondContact O-CG1 3.48Å; P135-I254 PolarHBondContact O-N 2.9Å; Q137-I254 HydrophobicContact CG-CD1 4Å; Q137-I254 HydrophobicContact CG-CG1 4.37Å; I254-K256 VanDerWaalsContact C-N 3.28Å; I254-K256 PolarHBondContact O-N 2.92Å; I254-V257 PolarHBondContact O-N 2.84Å |
| 255 | N | 79.8 | Confident | 70.2 | Confident | 124 Ų | 124 | 86.5 Ų | 86.5 | 66% | 0.663 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -25.4 | -178.5 | -64.9 | -30.4 | 0 | 0 | 0 | 112.8 | P135 D253 | P135-N255 WeakPolarHBondContact CB-ND2 3.39Å; D253-N255 PolarHBondContact O-N 2.81Å; D253-N255 VanDerWaalsContact O-N 3.13Å; D253-N255 PolarHBondContact OD1-N 3.08Å |
| 256 | K | 74.1 | Confident | 68 | Low | 162 Ų | 162 | 92.2 Ų | 92.2 | 70% | 0.704 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -19.6 | 178.2 | -69.3 | -177.8 | -171 | 138.5 | 0 | 113.2 | D253 I254 V258 | D253-K256 HydrophobicContact CB-CB 4.34Å; D253-K256 HydrophobicContact CB-CD 4.38Å; D253-K256 HydrophobicContact CB-CG 4.48Å; D253-K256 PolarHBondContact O-N 2.87Å; D253-K256 WeakPolarHBondContact OD2-CD 3.46Å; D253-K256 WeakPolarHBondContact OD2-CE 3.45Å; D253-K256 WeakPolarHBondContact OD2-CG 3.49Å; D253-K256 IonicContact OD2-NZ 3.69Å; D253-K256 PolarHBondContact OD2-NZ 3.35Å; I254-K256 VanDerWaalsContact C-N 3.28Å; I254-K256 PolarHBondContact O-N 2.92Å; K256-V258 VanDerWaalsContact C-N 3.25Å; K256-V258 PolarHBondContact O-N 3.41Å |
| 257 | V | 64.8 | Low | 66.2 | Low | 84 Ų | 84 | 97.5 Ų | 97.5 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | trans | -70.4 | 92.8 | 168.4 | -175.9 | 0 | 0 | 0 | 0 | 106.4 | V252 D253 I254 P259 | V252-V257 HydrophobicContact CG1-CG2 3.84Å; D253-V257 WeakPolarHBondContact O-CG2 3.12Å; D253-V257 PolarHBondContact O-N 2.82Å; D253-V257 VanDerWaalsContact O-N 3.12Å; I254-V257 PolarHBondContact O-N 2.84Å; V257-P259 WeakPolarHBondContact O-CD 3.08Å; V257-P259 VanDerWaalsContact O-N 3.14Å | ||
| 258 | V | 47.3 | Very low | 64.4 | Low | 111 Ų | 111 | 97.9 Ų | 97.9 | 67% | 0.673 | 54% | 0.541 | S | S | * | . | trans | -49.5 | 124.8 | 156.3 | 178.5 | 0 | 0 | 0 | 0 | 104.5 | K256 V260 | K256-V258 VanDerWaalsContact C-N 3.25Å; K256-V258 PolarHBondContact O-N 3.41Å; V258-V260 PolarHBondContact O-N 3.3Å | ||
| 259 | P | 48.5 | Very low | 63.1 | Low | 72 Ų | 72 | 97.8 Ų | 97.8 | 47% | 0.468 | 55% | 0.549 | S | S | . | . | trans | -62.4 | 91.6 | 169.9 | 25.9 | -30.8 | 0 | 0 | 0 | 105 | V257 Y261 | V257-P259 WeakPolarHBondContact O-CD 3.08Å; V257-P259 VanDerWaalsContact O-N 3.14Å; P259-Y261 HydrophobicContact CB-CD1 4.49Å; P259-Y261 HydrophobicContact CB-CD2 4.37Å; P259-Y261 HydrophobicContact CB-CE1 4.21Å; P259-Y261 HydrophobicContact CB-CE2 4.08Å; P259-Y261 HydrophobicContact CG-CE2 3.89Å; P259-Y261 WeakPolarHBondContact O-CD2 3.26Å; P259-Y261 PolarHBondContact O-N 3.39Å | ||
| 260 | V | 40.5 | Very low | 61.6 | Low | 116 Ų | 116 | 99.5 Ų | 99.5 | 70% | 0.703 | 57% | 0.571 | S | S | * | * | trans | -62.2 | 95.3 | 148.8 | -174.2 | 0 | 0 | 0 | 0 | 100.3 | V258 V262 | V258-V260 PolarHBondContact O-N 3.3Å; V260-V262 HydrophobicContact CB-CG2 4.32Å; V260-V262 HydrophobicContact CG1-CG2 3.7Å; V260-V262 PolarHBondContact O-N 3.45Å | ||
| 261 | Y | 40.2 | Very low | 60.4 | Low | 195 Ų | 195 | 98.7 Ų | 98.7 | 77% | 0.765 | 56% | 0.562 | S | S | * | * | trans | -58.2 | 73 | 156.4 | -52.2 | -87.8 | 0 | 0 | 0 | 104.6 | P259 S263 | P259-Y261 HydrophobicContact CB-CD1 4.49Å; P259-Y261 HydrophobicContact CB-CD2 4.37Å; P259-Y261 HydrophobicContact CB-CE1 4.21Å; P259-Y261 HydrophobicContact CB-CE2 4.08Å; P259-Y261 HydrophobicContact CG-CE2 3.89Å; P259-Y261 WeakPolarHBondContact O-CD2 3.26Å; P259-Y261 PolarHBondContact O-N 3.39Å; Y261-S263 PolarHBondContact O-N 3.32Å | ||
| 262 | V | 38.7 | Very low | 58.9 | Low | 100 Ų | 100 | 102.2 Ų | 102.2 | 61% | 0.606 | 58% | 0.581 | S | S | * | * | trans | -57.5 | 104.2 | 148.3 | -178.5 | 0 | 0 | 0 | 0 | 99.6 | V260 R264 | V260-V262 HydrophobicContact CB-CG2 4.32Å; V260-V262 HydrophobicContact CG1-CG2 3.7Å; V260-V262 PolarHBondContact O-N 3.45Å; V262-R264 HydrophobicContact CG1-CG 4.22Å; V262-R264 PolarHBondContact O-N 2.84Å | ||
| 263 | S | 39.9 | Very low | 57.8 | Low | 115 Ų | 115 | 104.7 Ų | 104.7 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | trans | -63.4 | 54.1 | 169 | 22.8 | 0 | 0 | 0 | 0 | 108.4 | Y261 P265 | Y261-S263 PolarHBondContact O-N 3.32Å; S263-P265 WeakPolarHBondContact O-CD 3.37Å | ||
| 264 | R | 41.2 | Very low | 56.6 | Low | 212 Ų | 212 | 111.8 Ų | 111.8 | 80% | 0.8 | 63% | 0.631 | S | S | * | * | trans | -59.9 | 119.2 | 144 | -91.1 | -175.4 | 175 | -179.7 | -0.9 | 103.2 | V262 D266 | V262-R264 HydrophobicContact CG1-CG 4.22Å; V262-R264 PolarHBondContact O-N 2.84Å; R264-D266 PolarHBondContact O-N 3.13Å | ||
| 265 | P | 41 | Very low | 55.3 | Low | 114 Ų | 114 | 118.2 Ų | 118.2 | 74% | 0.74 | 66% | 0.657 | S | S | * | * | trans | -46.8 | 132.4 | 164 | -19.1 | 29.6 | 0 | 0 | 0 | 106.2 | S263 P267 | S263-P265 WeakPolarHBondContact O-CD 3.37Å; P265-P267 VanDerWaalsContact O-N 3.08Å | ||
| 266 | D | 47.8 | Very low | 54.6 | Low | 142 Ų | 142 | 115.2 Ų | 115.2 | 76% | 0.759 | 66% | 0.655 | S | S | * | * | trans | -43.6 | 127.3 | 164.7 | -93.9 | -41.2 | 0 | 0 | 0 | 106.2 | R264 G268 | R264-D266 PolarHBondContact O-N 3.13Å; D266-G268 VanDerWaalsContact C-N 3.33Å; D266-G268 PolarHBondContact O-N 3.08Å | ||
| 267 | P | 54.6 | Low | 54.1 | Low | 122 Ų | 122 | 116.2 Ų | 116.2 | 79% | 0.792 | 66% | 0.662 | S | S | * | * | trans | -48.6 | 113.3 | 168.3 | -19 | 28.9 | 0 | 0 | 0 | 104.4 | P265 | P265-P267 VanDerWaalsContact O-N 3.08Š| ||
| 268 | G | 56 | Low | 54.1 | Low | 60 Ų | 60 | 121.3 Ų | 121.3 | 62% | 0.619 | 67% | 0.674 | S | S | * | * | trans | -51.5 | 163.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | D266 G270 | D266-G268 VanDerWaalsContact C-N 3.33Å; D266-G268 PolarHBondContact O-N 3.08Å; G268-G270 PolarHBondContact O-N 3.15Å | ||
| 269 | T | 65.5 | Low | 54.7 | Low | 101 Ų | 101 | 122.9 Ų | 122.9 | 62% | 0.62 | 68% | 0.678 | S | S | * | * | trans | -47.7 | -14.6 | -175.7 | 51.6 | 0 | 0 | 0 | 0 | 115 | G75 I271 | G75-T269 PolarHBondContact N-O 2.79Å; T269-I271 PolarHBondContact O-N 3.45Å | ||
| 270 | G | 61.7 | Low | 56 | Low | 55 Ų | 55 | 122.5 Ų | 122.5 | 57% | 0.567 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 76.4 | 3.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G268 | G268-G270 PolarHBondContact O-N 3.15Š|
| 271 | I | 66.9 | Low | 57.3 | Low | 35 Ų | 35 | 121.8 Ų | 121.8 | 18% | 0.179 | 67% | 0.674 | C | S | . | * | S | Bend | trans | -103.1 | 120.4 | -179 | -58.6 | 161.4 | 0 | 0 | 0 | 106 | L67 F70 T269 | L67-I271 HydrophobicContact CD2-CD1 3.65Å; L67-I271 HydrophobicContact CD2-CG1 4.44Å; F70-I271 HydrophobicContact CB-CG2 3.95Å; F70-I271 HydrophobicContact CD1-CG2 3.32Å; F70-I271 HydrophobicContact CD2-CG2 4.43Å; F70-I271 HydrophobicContact CE1-CG2 3.89Å; F70-I271 HydrophobicContact CG-CG2 3.64Å; T269-I271 PolarHBondContact O-N 3.45Å |
| 272 | L | 63.8 | Low | 58.4 | Low | 100 Ų | 100 | 116.6 Ų | 116.6 | 52% | 0.524 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 122.7 | 169 | -77.4 | 150.2 | 0 | 0 | 0 | 109 | F70 P71 D72 | F70-L272 WeakPolarHBondContact CD1-O 3.38Å; F70-L272 WeakPolarHBondContact CE1-O 3.39Å; P71-L272 HydrophobicContact CG-CD1 4.24Å; D72-L272 PolarHBondContact OD2-N 2.87Å |
| 273 | P | 66.9 | Low | 59.5 | Low | 104 Ų | 104 | 121.4 Ų | 121.4 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 147.5 | 175.1 | 24.1 | -31.8 | 0 | 0 | 0 | 109.7 | F275 | P273-F275 PolarHBondContact O-N 3.44Š|
| 274 | E | 65.2 | Low | 60.4 | Low | 169 Ų | 169 | 120.3 Ų | 120.3 | 79% | 0.79 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -49.3 | 117.1 | 173.3 | -171.1 | 171.2 | -171.1 | 0 | 0 | 107.9 | F70 G276 | F70-E274 HydrophobicContact CE1-CB 4.46Å; E274-G276 PolarHBondContact O-N 2.97Å |
| 275 | F | 57.4 | Low | 61.1 | Low | 189 Ų | 189 | 117.2 Ų | 117.2 | 83% | 0.829 | 67% | 0.673 | S | S | * | * | trans | -41.3 | 105.7 | -162.3 | -57.3 | -91.2 | 0 | 0 | 0 | 112.1 | P273 | P273-F275 PolarHBondContact O-N 3.44Š| ||
| 276 | G | 63.8 | Low | 62.1 | Low | 61 Ų | 61 | 119.9 Ų | 119.9 | 63% | 0.629 | 67% | 0.672 | S | S | * | * | trans | -67.9 | 153 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | E274 Y278 | E274-G276 PolarHBondContact O-N 2.97Å; G276-Y278 PolarHBondContact O-N 3.47Å | ||
| 277 | E | 65.2 | Low | 62.9 | Low | 184 Ų | 184 | 117 Ų | 117 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | trans | -49 | 117.4 | 173.3 | -161.7 | 167.7 | -155.3 | 0 | 0 | 108.8 | N279 | E277-N279 VanDerWaalsContact C-N 3.34Å; E277-N279 PolarHBondContact O-N 3Å | ||
| 278 | Y | 64 | Low | 63.5 | Low | 191 Ų | 191 | 115.1 Ų | 115.1 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | trans | -60.7 | 100.9 | 179.8 | 174.1 | -106.2 | 0 | 0 | 0 | 107.7 | G276 P280 | G276-Y278 PolarHBondContact O-N 3.47Å; Y278-P280 HydrophobicContact CD1-CB 4.38Å; Y278-P280 HydrophobicContact CD1-CG 4.22Å; Y278-P280 HydrophobicContact CE1-CB 3.62Å; Y278-P280 HydrophobicContact CE1-CG 3.81Å; Y278-P280 WeakPolarHBondContact O-CD 3.2Å | ||
| 279 | N | 60.9 | Low | 64.1 | Low | 144 Ų | 144 | 117.5 Ų | 117.5 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | trans | -96.5 | 88.6 | 172.3 | -113.4 | -21.9 | 0 | 0 | 0 | 106.3 | E277 | E277-N279 VanDerWaalsContact C-N 3.34Å; E277-N279 PolarHBondContact O-N 3Å | ||
| 280 | P | 74.3 | Confident | 64.6 | Low | 64 Ų | 64 | 120.2 Ų | 120.2 | 42% | 0.416 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 146.8 | 172.7 | 25.1 | -31.7 | 0 | 0 | 0 | 108.1 | Y278 S282 | Y278-P280 HydrophobicContact CD1-CB 4.38Å; Y278-P280 HydrophobicContact CD1-CG 4.22Å; Y278-P280 HydrophobicContact CE1-CB 3.62Å; Y278-P280 HydrophobicContact CE1-CG 3.81Å; Y278-P280 WeakPolarHBondContact O-CD 3.2Å; P280-S282 PolarHBondContact O-N 3.45Å; P280-S282 VanDerWaalsContact O-N 3.15Å |
| 281 | P | 67.6 | Low | 65.5 | Low | 101 Ų | 101 | 124.6 Ų | 124.6 | 66% | 0.656 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 129.1 | 163.6 | -19.6 | 29.8 | 0 | 0 | 0 | 107.7 | E283 | P281-E283 PolarHBondContact O-N 3.17Š|
| 282 | S | 64.8 | Low | 66 | Low | 85 Ų | 85 | 126.6 Ų | 126.6 | 59% | 0.594 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 130.4 | 178.7 | 50 | 0 | 0 | 0 | 0 | 109.4 | P280 S284 L285 | P280-S282 PolarHBondContact O-N 3.45Å; P280-S282 VanDerWaalsContact O-N 3.15Å; S282-S284 PolarHBondContact O-N 3.09Å; S282-S284 PolarHBondContact OG-OG 3.3Å; S282-L285 PolarHBondContact O-N 3.4Å |
| 283 | E | 60.3 | Low | 66.8 | Low | 202 Ų | 202 | 126.4 Ų | 126.4 | 94% | 0.944 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -55.7 | -3.9 | -179.3 | -70.9 | -166.6 | 159.5 | 0 | 0 | 114.1 | P281 L285 | P281-E283 PolarHBondContact O-N 3.17Å; E283-L285 PolarHBondContact O-N 3.12Å; E283-L285 VanDerWaalsContact O-N 3.14Å |
| 284 | S | 59.5 | Low | 67.6 | Low | 92 Ų | 92 | 127.7 Ų | 127.7 | 64% | 0.643 | 67% | 0.665 | S | S | * | * | trans | -79.8 | 34.4 | 172.2 | 71.1 | 0 | 0 | 0 | 0 | 114.2 | S282 K286 | S282-S284 PolarHBondContact O-N 3.09Å; S282-S284 PolarHBondContact OG-OG 3.3Å; S284-K286 VanDerWaalsContact C-N 3.3Å; S284-K286 PolarHBondContact O-N 2.87Å | ||
| 285 | L | 56.3 | Low | 68.5 | Low | 147 Ų | 147 | 123.7 Ų | 123.7 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | trans | -64.9 | 99.4 | 162.6 | -82.6 | 167 | 0 | 0 | 0 | 106.8 | S282 E283 S287 | S282-L285 PolarHBondContact O-N 3.4Å; E283-L285 PolarHBondContact O-N 3.12Å; E283-L285 VanDerWaalsContact O-N 3.14Å; L285-S287 PolarHBondContact O-N 3.49Å | ||
| 286 | K | 62.4 | Low | 70 | Confident | 169 Ų | 169 | 118 Ų | 118 | 74% | 0.735 | 63% | 0.63 | S | S | * | * | trans | -49.3 | 113.3 | 175.7 | -169.6 | 176.3 | -177.7 | -172.7 | 0 | 107.5 | S284 D289 | S284-K286 VanDerWaalsContact C-N 3.3Å; S284-K286 PolarHBondContact O-N 2.87Å; K286-D289 WeakPolarHBondContact CE-OD2 3.12Å; K286-D289 IonicContact NZ-OD2 2.78Å | ||
| 287 | S | 63.9 | Low | 71.2 | Confident | 83 Ų | 83 | 120 Ų | 120 | 58% | 0.58 | 63% | 0.63 | S | S | * | * | trans | -49.8 | 135 | 175.6 | 51.1 | 0 | 0 | 0 | 0 | 108.5 | L285 D289 | L285-S287 PolarHBondContact O-N 3.49Å; S287-D289 PolarHBondContact O-N 3.44Å; S287-D289 VanDerWaalsContact O-N 3.1Å | ||
| 288 | P | 66.1 | Low | 72.4 | Confident | 82 Ų | 82 | 116.3 Ų | 116.3 | 53% | 0.532 | 62% | 0.615 | S | S | . | * | trans | -56.2 | 123.2 | 176.4 | -10 | 17.2 | 0 | 0 | 0 | 108.8 | Y290 | P288-Y290 VanDerWaalsContact C-N 3.29Å; P288-Y290 HydrophobicContact CB-CD2 4.16Å; P288-Y290 HydrophobicContact CB-CE1 4.18Å; P288-Y290 HydrophobicContact CB-CE2 3.58Å; P288-Y290 HydrophobicContact CG-CE2 3.72Å; P288-Y290 WeakPolarHBondContact O-CD2 3.37Å; P288-Y290 PolarHBondContact O-N 2.94Å | ||
| 289 | D | 70.2 | Confident | 73.6 | Confident | 110 Ų | 110 | 109.7 Ų | 109.7 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | trans | -74.3 | 81.2 | -178.9 | -79.5 | -41.1 | 0 | 0 | 0 | 109.7 | K286 S287 F291 | K286-D289 WeakPolarHBondContact CE-OD2 3.12Å; K286-D289 IonicContact NZ-OD2 2.78Å; S287-D289 PolarHBondContact O-N 3.44Å; S287-D289 VanDerWaalsContact O-N 3.1Å; D289-F291 PolarHBondContact O-N 2.98Å; D289-F291 VanDerWaalsContact O-N 3.12Å | ||
| 290 | Y | 75.4 | Confident | 75.1 | Confident | 157 Ų | 157 | 107.8 Ų | 107.8 | 62% | 0.616 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 2.3 | 178.9 | -64.5 | -71.8 | 0 | 0 | 0 | 114.5 | P288 S292 D293 F294 | P288-Y290 VanDerWaalsContact C-N 3.29Å; P288-Y290 HydrophobicContact CB-CD2 4.16Å; P288-Y290 HydrophobicContact CB-CE1 4.18Å; P288-Y290 HydrophobicContact CB-CE2 3.58Å; P288-Y290 HydrophobicContact CG-CE2 3.72Å; P288-Y290 WeakPolarHBondContact O-CD2 3.37Å; P288-Y290 PolarHBondContact O-N 2.94Å; Y290-S292 VanDerWaalsContact C-N 3.28Å; Y290-S292 PolarHBondContact O-N 3.35Å; Y290-D293 PolarHBondContact O-N 2.84Å; Y290-F294 PolarHBondContact O-N 3.39Å |
| 291 | F | 79.9 | Confident | 76 | Confident | 148 Ų | 148 | 108.3 Ų | 108.3 | 65% | 0.649 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.3 | -37.2 | -177.9 | -174.1 | -104.5 | 0 | 0 | 0 | 112.3 | D289 L295 | D289-F291 PolarHBondContact O-N 2.98Å; D289-F291 VanDerWaalsContact O-N 3.12Å; F291-L295 HydrophobicContact CD1-CD1 3.89Å; F291-L295 HydrophobicContact CD1-CG 4.5Å; F291-L295 HydrophobicContact CE1-CD1 3.47Å; F291-L295 VanDerWaalsContact CE1-CD1 3.47Å; F291-L295 HydrophobicContact CE1-CG 4.18Å; F291-L295 HydrophobicContact CZ-CD1 4.05Å; F291-L295 HydrophobicContact CZ-CG 4.37Å; F291-L295 WeakPolarHBondContact O-CG 3.37Å; F291-L295 PolarHBondContact O-N 2.88Å |
| 292 | S | 78.2 | Confident | 77 | Confident | 76 Ų | 76 | 106.2 Ų | 106.2 | 53% | 0.531 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.7 | -45.1 | 175.5 | -177 | 0 | 0 | 0 | 0 | 111.7 | Y290 F294 L295 V296 | Y290-S292 VanDerWaalsContact C-N 3.28Å; Y290-S292 PolarHBondContact O-N 3.35Å; S292-F294 VanDerWaalsContact C-N 3.32Å; S292-F294 PolarHBondContact O-N 2.71Å; S292-L295 PolarHBondContact O-N 3.08Å; S292-V296 WeakPolarHBondContact O-CG2 3.38Å; S292-V296 PolarHBondContact O-N 3.04Å |
| 293 | D | 81.3 | Confident | 78.3 | Confident | 97 Ų | 97 | 104.7 Ų | 104.7 | 52% | 0.519 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.5 | -36.3 | -179.6 | -67.4 | -15.5 | 0 | 0 | 0 | 111.7 | Y290 V296 T297 | Y290-D293 PolarHBondContact O-N 2.84Å; D293-V296 PolarHBondContact O-N 3.5Å; D293-T297 WeakPolarHBondContact O-CB 3.37Å; D293-T297 PolarHBondContact O-N 3.06Å; D293-T297 PolarHBondContact O-OG1 2.88Å |
| 294 | F | 82.3 | Confident | 80 | Confident | 131 Ų | 131 | 98.9 Ų | 98.9 | 58% | 0.575 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.2 | -46 | 172.3 | 179.1 | -100.6 | 0 | 0 | 0 | 112 | Y290 S292 V296 T297 L298 | Y290-F294 PolarHBondContact O-N 3.39Å; S292-F294 VanDerWaalsContact C-N 3.32Å; S292-F294 PolarHBondContact O-N 2.71Å; F294-V296 PolarHBondContact O-N 2.9Å; F294-T297 PolarHBondContact O-N 3.37Å; F294-L298 PolarHBondContact O-N 3.38Å; F294-L298 VanDerWaalsContact O-N 3.09Å |
| 295 | L | 85.5 | Confident | 81.5 | Confident | 84 Ų | 84 | 97.1 Ų | 97.1 | 44% | 0.44 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 177.2 | -80.1 | 175.3 | 0 | 0 | 0 | 111.9 | F291 S292 L298 A299 | F291-L295 HydrophobicContact CD1-CD1 3.89Å; F291-L295 HydrophobicContact CD1-CG 4.5Å; F291-L295 HydrophobicContact CE1-CD1 3.47Å; F291-L295 VanDerWaalsContact CE1-CD1 3.47Å; F291-L295 HydrophobicContact CE1-CG 4.18Å; F291-L295 HydrophobicContact CZ-CD1 4.05Å; F291-L295 HydrophobicContact CZ-CG 4.37Å; F291-L295 WeakPolarHBondContact O-CG 3.37Å; F291-L295 PolarHBondContact O-N 2.88Å; S292-L295 PolarHBondContact O-N 3.08Å; L295-L298 PolarHBondContact O-N 3.04Å; L295-A299 WeakPolarHBondContact O-CB 3.36Å; L295-A299 PolarHBondContact O-N 2.89Å |
| 296 | V | 88.1 | Confident | 83.3 | Confident | 71 Ų | 71 | 95.1 Ų | 95.1 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 178.5 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | S292 D293 F294 L298 A299 I300 | S292-V296 WeakPolarHBondContact O-CG2 3.38Å; S292-V296 PolarHBondContact O-N 3.04Å; D293-V296 PolarHBondContact O-N 3.5Å; F294-V296 PolarHBondContact O-N 2.9Å; V296-L298 VanDerWaalsContact C-N 3.26Å; V296-L298 PolarHBondContact O-N 3.33Å; V296-A299 PolarHBondContact O-N 3.1Å; V296-I300 HydrophobicContact CG1-CD1 3.55Å; V296-I300 HydrophobicContact CG1-CG1 4.31Å; V296-I300 WeakPolarHBondContact O-CG1 3.29Å; V296-I300 PolarHBondContact O-N 3.22Å |
| 297 | T | 89.2 | Confident | 84.9 | Confident | 103 Ų | 103 | 91 Ų | 91 | 63% | 0.632 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -29.8 | 179.5 | -54.8 | 0 | 0 | 0 | 0 | 112.4 | D293 F294 P301 | D293-T297 WeakPolarHBondContact O-CB 3.37Å; D293-T297 PolarHBondContact O-N 3.06Å; D293-T297 PolarHBondContact O-OG1 2.88Å; F294-T297 PolarHBondContact O-N 3.37Å; T297-P301 WeakPolarHBondContact O-CD 3.41Å; T297-P301 WeakPolarHBondContact O-CG 3.1Å |
| 298 | L | 90.1 | Very high | 86.2 | Confident | 106 Ų | 106 | 91.7 Ų | 91.7 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -90.6 | -38.6 | 177.6 | -168.2 | 115.8 | 0 | 0 | 0 | 113.1 | F294 L295 V296 S302 | F294-L298 PolarHBondContact O-N 3.38Å; F294-L298 VanDerWaalsContact O-N 3.09Å; L295-L298 PolarHBondContact O-N 3.04Å; V296-L298 VanDerWaalsContact C-N 3.26Å; V296-L298 PolarHBondContact O-N 3.33Å; L298-S302 WeakPolarHBondContact O-CB 3.38Å; L298-S302 PolarHBondContact O-N 3.27Å; L298-S302 PolarHBondContact O-OG 2.94Å |
| 299 | A | 89.3 | Confident | 87.4 | Confident | 51 Ų | 51 | 95.4 Ų | 95.4 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.2 | -39.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L295 V296 S302 A303 | L295-A299 WeakPolarHBondContact O-CB 3.36Å; L295-A299 PolarHBondContact O-N 2.89Å; V296-A299 PolarHBondContact O-N 3.1Å; A299-S302 WeakPolarHBondContact CA-OG 3.49Å; A299-S302 PolarHBondContact O-OG 3.42Å; A299-A303 WeakPolarHBondContact O-CB 3.48Å; A299-A303 PolarHBondContact O-N 3.26Å |
| 300 | I | 91.9 | Very high | 88.4 | Confident | 104 Ų | 104 | 97.5 Ų | 97.5 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.9 | -52.6 | -177.6 | -65 | 172.3 | 0 | 0 | 0 | 111.5 | V296 S302 A303 V304 | V296-I300 HydrophobicContact CG1-CD1 3.55Å; V296-I300 HydrophobicContact CG1-CG1 4.31Å; V296-I300 WeakPolarHBondContact O-CG1 3.29Å; V296-I300 PolarHBondContact O-N 3.22Å; I300-S302 VanDerWaalsContact C-N 3.32Å; I300-S302 PolarHBondContact O-N 3.3Å; I300-A303 PolarHBondContact O-N 3.13Å; I300-V304 WeakPolarHBondContact O-CG2 3.34Å; I300-V304 PolarHBondContact O-N 3.28Å; I300-V304 VanDerWaalsContact O-N 3.09Å |
| 301 | P | 92.7 | Very high | 89 | Confident | 75 Ų | 75 | 94.3 Ų | 94.3 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 179.4 | -23.2 | 35.9 | 0 | 0 | 0 | 113 | T297 V304 A305 | T297-P301 WeakPolarHBondContact O-CD 3.41Å; T297-P301 WeakPolarHBondContact O-CG 3.1Å; P301-V304 PolarHBondContact O-N 3.03Å; P301-A305 WeakPolarHBondContact O-CB 3.28Å; P301-A305 PolarHBondContact O-N 2.81Å |
| 302 | S | 90.1 | Very high | 89.3 | Confident | 57 Ų | 57 | 92.1 Ų | 92.1 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 178.1 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | L298 A299 I300 A305 L306 | L298-S302 WeakPolarHBondContact O-CB 3.38Å; L298-S302 PolarHBondContact O-N 3.27Å; L298-S302 PolarHBondContact O-OG 2.94Å; A299-S302 WeakPolarHBondContact CA-OG 3.49Å; A299-S302 PolarHBondContact O-OG 3.42Å; I300-S302 VanDerWaalsContact C-N 3.32Å; I300-S302 PolarHBondContact O-N 3.3Å; S302-A305 PolarHBondContact O-N 3.34Å; S302-L306 WeakPolarHBondContact O-CG 3.41Å; S302-L306 PolarHBondContact O-N 2.89Å |
| 303 | A | 92.4 | Very high | 89.6 | Confident | 53 Ų | 53 | 89.8 Ų | 89.8 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A299 I300 A305 L306 V307 | A299-A303 WeakPolarHBondContact O-CB 3.48Å; A299-A303 PolarHBondContact O-N 3.26Å; I300-A303 PolarHBondContact O-N 3.13Å; A303-A305 PolarHBondContact O-N 3.19Å; A303-L306 PolarHBondContact O-N 2.93Å; A303-V307 WeakPolarHBondContact O-CG2 3.24Å; A303-V307 PolarHBondContact O-N 2.96Å; A303-V307 VanDerWaalsContact O-N 3.07Å |
| 304 | V | 94.1 | Very high | 89.7 | Confident | 81 Ų | 81 | 92.2 Ų | 92.2 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176 | 174 | 0 | 0 | 0 | 0 | 111 | I300 P301 L306 V307 L308 | I300-V304 WeakPolarHBondContact O-CG2 3.34Å; I300-V304 PolarHBondContact O-N 3.28Å; I300-V304 VanDerWaalsContact O-N 3.09Å; P301-V304 PolarHBondContact O-N 3.03Å; V304-L306 VanDerWaalsContact C-N 3.34Å; V304-L306 PolarHBondContact O-N 2.83Å; V304-V307 PolarHBondContact O-N 3.08Å; V304-L308 HydrophobicContact CG1-CD1 4.24Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 2.81Å |
| 305 | A | 92.9 | Very high | 89.6 | Confident | 54 Ų | 54 | 88.8 Ų | 88.8 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P301 S302 A303 L308 F309 | P301-A305 WeakPolarHBondContact O-CB 3.28Å; P301-A305 PolarHBondContact O-N 2.81Å; S302-A305 PolarHBondContact O-N 3.34Å; A303-A305 PolarHBondContact O-N 3.19Å; A305-L308 PolarHBondContact O-N 2.84Å; A305-F309 WeakPolarHBondContact O-CB 3.36Å; A305-F309 PolarHBondContact O-N 3.4Å |
| 306 | L | 93.8 | Very high | 89.2 | Confident | 105 Ų | 105 | 90 Ų | 90 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 175.9 | -77.9 | 174.5 | 0 | 0 | 0 | 112 | S302 A303 V304 L308 F309 F310 | S302-L306 WeakPolarHBondContact O-CG 3.41Å; S302-L306 PolarHBondContact O-N 2.89Å; A303-L306 PolarHBondContact O-N 2.93Å; V304-L306 VanDerWaalsContact C-N 3.34Å; V304-L306 PolarHBondContact O-N 2.83Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 3.49Å; L306-F309 WeakPolarHBondContact O-CA 3.42Å; L306-F309 WeakPolarHBondContact O-CB 3.37Å; L306-F309 PolarHBondContact O-N 2.71Å; L306-F309 VanDerWaalsContact O-N 3.09Å; L306-F310 WeakPolarHBondContact O-CD2 3.1Å; L306-F310 PolarHBondContact O-N 2.79Å |
| 307 | V | 94.6 | Very high | 88.3 | Confident | 84 Ų | 84 | 91.3 Ų | 91.3 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | A303 V304 F309 F310 I311 | A303-V307 WeakPolarHBondContact O-CG2 3.24Å; A303-V307 PolarHBondContact O-N 2.96Å; A303-V307 VanDerWaalsContact O-N 3.07Å; V304-V307 PolarHBondContact O-N 3.08Å; V307-F309 VanDerWaalsContact C-N 3.27Å; V307-F309 PolarHBondContact O-N 2.92Å; V307-F310 PolarHBondContact O-N 3.29Å; V307-I311 HydrophobicContact CG1-CD1 3.91Å; V307-I311 WeakPolarHBondContact O-CG1 3.31Å; V307-I311 PolarHBondContact O-N 3.44Å |
| 308 | L | 91.9 | Very high | 87.1 | Confident | 97 Ų | 97 | 89.9 Ų | 89.9 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 175.1 | -69.3 | 174.7 | 0 | 0 | 0 | 111.7 | V304 A305 L306 I311 L312 | V304-L308 HydrophobicContact CG1-CD1 4.24Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 2.81Å; A305-L308 PolarHBondContact O-N 2.84Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 3.49Å; L308-I311 PolarHBondContact O-N 3.22Å; L308-L312 WeakPolarHBondContact O-CB 3.39Å; L308-L312 VanDerWaalsContact O-CG 3.31Å; L308-L312 WeakPolarHBondContact O-CG 3.34Å; L308-L312 PolarHBondContact O-N 3.38Å |
| 309 | F | 92 | Very high | 85.8 | Confident | 160 Ų | 160 | 93.9 Ų | 93.9 | 70% | 0.702 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 177 | -145.8 | -86.6 | 0 | 0 | 0 | 112.1 | A305 L306 V307 L312 G313 | A305-F309 WeakPolarHBondContact O-CB 3.36Å; A305-F309 PolarHBondContact O-N 3.4Å; L306-F309 WeakPolarHBondContact O-CA 3.42Å; L306-F309 WeakPolarHBondContact O-CB 3.37Å; L306-F309 PolarHBondContact O-N 2.71Å; L306-F309 VanDerWaalsContact O-N 3.09Å; V307-F309 VanDerWaalsContact C-N 3.27Å; V307-F309 PolarHBondContact O-N 2.92Å; F309-L312 PolarHBondContact O-N 3.47Å; F309-G313 PolarHBondContact O-N 3.06Å |
| 310 | F | 90.3 | Very high | 84.4 | Confident | 153 Ų | 153 | 99.8 Ų | 99.8 | 67% | 0.671 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.7 | -40.9 | 174.3 | -76.9 | -68.5 | 0 | 0 | 0 | 112.3 | L306 V307 G313 Y314 | L306-F310 WeakPolarHBondContact O-CD2 3.1Å; L306-F310 PolarHBondContact O-N 2.79Å; V307-F310 PolarHBondContact O-N 3.29Å; F310-G313 PolarHBondContact O-N 2.9Å; F310-Y314 WeakPolarHBondContact O-CB 3.09Å; F310-Y314 PolarHBondContact O-N 3.34Å |
| 311 | I | 88.4 | Confident | 82.8 | Confident | 91 Ų | 91 | 102.3 Ų | 102.3 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 176.1 | -66.6 | 167.6 | 0 | 0 | 0 | 110.6 | V307 L308 Y314 T315 | V307-I311 HydrophobicContact CG1-CD1 3.91Å; V307-I311 WeakPolarHBondContact O-CG1 3.31Å; V307-I311 PolarHBondContact O-N 3.44Å; L308-I311 PolarHBondContact O-N 3.22Å; I311-Y314 PolarHBondContact O-N 2.71Å; I311-T315 WeakPolarHBondContact O-CG2 3.5Å; I311-T315 PolarHBondContact O-N 3.14Å; I311-T315 PolarHBondContact O-OG1 2.96Å |
| 312 | L | 85.6 | Confident | 81.2 | Confident | 101 Ų | 101 | 100 Ų | 100 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.4 | -73.4 | 174.2 | 0 | 0 | 0 | 111.4 | L308 F309 T315 M316 | L308-L312 WeakPolarHBondContact O-CB 3.39Å; L308-L312 VanDerWaalsContact O-CG 3.31Å; L308-L312 WeakPolarHBondContact O-CG 3.34Å; L308-L312 PolarHBondContact O-N 3.38Å; F309-L312 PolarHBondContact O-N 3.47Å; L312-T315 WeakPolarHBondContact CA-OG1 3.45Å; L312-T315 PolarHBondContact O-N 2.96Å; L312-T315 PolarHBondContact O-OG1 3.46Å; L312-M316 VanDerWaalsContact O-CB 3.24Å; L312-M316 WeakPolarHBondContact O-CB 3.33Å; L312-M316 WeakPolarHBondContact O-CG 3.37Å; L312-M316 PolarHBondContact O-N 3.24Å |
| 313 | G | 85.9 | Confident | 79.9 | Confident | 28 Ų | 28 | 100.6 Ų | 100.6 | 29% | 0.289 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | F309 F310 T315 M316 C317 | F309-G313 PolarHBondContact O-N 3.06Å; F310-G313 PolarHBondContact O-N 2.9Å; G313-T315 PolarHBondContact O-N 3.49Å; G313-M316 PolarHBondContact O-N 2.84Å; G313-C317 WeakPolarHBondContact O-CB 3.27Å; G313-C317 PolarHBondContact O-N 2.65Å |
| 314 | Y | 82.8 | Confident | 78.5 | Confident | 148 Ų | 148 | 105.7 Ų | 105.7 | 58% | 0.58 | 54% | 0.541 | S | S | * | . | I | π-helix | trans | -61.9 | -43.9 | 177.9 | 178.7 | -101.9 | 0 | 0 | 0 | 112.4 | F310 I311 C318 R319 | F310-Y314 WeakPolarHBondContact O-CB 3.09Å; F310-Y314 PolarHBondContact O-N 3.34Å; I311-Y314 PolarHBondContact O-N 2.71Å; Y314-C318 HydrophobicContact CD2-CB 3.89Å; Y314-C318 HydrophobicContact CE2-CB 3.89Å; Y314-C318 WeakPolarHBondContact O-CA 3.29Å; Y314-C318 VanDerWaalsContact O-CB 3.24Å; Y314-C318 WeakPolarHBondContact O-CB 3.44Å; Y314-C318 PolarHBondContact O-N 3.23Å; Y314-R319 PolarHBondContact O-N 3.08Å |
| 315 | T | 79.7 | Confident | 77 | Confident | 58 Ų | 58 | 109 Ų | 109 | 36% | 0.356 | 55% | 0.548 | S | S | . | . | I | π-helix | trans | -69.2 | -39.5 | 178.7 | 54 | 0 | 0 | 0 | 0 | 112.5 | I311 L312 G313 R319 | I311-T315 WeakPolarHBondContact O-CG2 3.5Å; I311-T315 PolarHBondContact O-N 3.14Å; I311-T315 PolarHBondContact O-OG1 2.96Å; L312-T315 WeakPolarHBondContact CA-OG1 3.45Å; L312-T315 PolarHBondContact O-N 2.96Å; L312-T315 PolarHBondContact O-OG1 3.46Å; G313-T315 PolarHBondContact O-N 3.49Å; T315-R319 WeakPolarHBondContact O-CB 3.4Å; T315-R319 PolarHBondContact O-N 2.94Å |
| 316 | M | 77.4 | Confident | 75.6 | Confident | 110 Ų | 110 | 114 Ų | 114 | 54% | 0.542 | 56% | 0.556 | S | S | . | * | I | π-helix | trans | -80.5 | -32.1 | -178.8 | -72.8 | -72.1 | -176.3 | 0 | 0 | 114.2 | L312 G313 R320 | L312-M316 VanDerWaalsContact O-CB 3.24Å; L312-M316 WeakPolarHBondContact O-CB 3.33Å; L312-M316 WeakPolarHBondContact O-CG 3.37Å; L312-M316 PolarHBondContact O-N 3.24Å; G313-M316 PolarHBondContact O-N 2.84Å; M316-R320 WeakPolarHBondContact O-CB 3.26Å; M316-R320 WeakPolarHBondContact O-CD 3.34Å |
| 317 | C | 69.1 | Low | 74.1 | Confident | 98 Ų | 98 | 112.7 Ų | 112.7 | 66% | 0.662 | 55% | 0.549 | S | S | * | . | I | π-helix | trans | -95.3 | -44 | -179.1 | -66.5 | 0 | 0 | 0 | 0 | 112 | G313 | G313-C317 WeakPolarHBondContact O-CB 3.27Å; G313-C317 PolarHBondContact O-N 2.65Å |
| 318 | C | 64.7 | Low | 72.7 | Confident | 73 Ų | 73 | 116.3 Ų | 116.3 | 49% | 0.493 | 56% | 0.562 | S | S | . | * | I | π-helix | trans | -93.7 | -20.2 | -173.2 | -54.8 | 0 | 0 | 0 | 0 | 114.3 | Y314 | Y314-C318 HydrophobicContact CD2-CB 3.89Å; Y314-C318 HydrophobicContact CE2-CB 3.89Å; Y314-C318 WeakPolarHBondContact O-CA 3.29Å; Y314-C318 VanDerWaalsContact O-CB 3.24Å; Y314-C318 WeakPolarHBondContact O-CB 3.44Å; Y314-C318 PolarHBondContact O-N 3.23Å |
| 319 | R | 61.4 | Low | 71.5 | Confident | 191 Ų | 191 | 119 Ų | 119 | 72% | 0.721 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -103.7 | -0.1 | 175 | -63.4 | -169.2 | 72.5 | 158.4 | 2.8 | 114.5 | Y314 T315 E321 G322 | Y314-R319 PolarHBondContact O-N 3.08Å; T315-R319 WeakPolarHBondContact O-CB 3.4Å; T315-R319 PolarHBondContact O-N 2.94Å; R319-E321 VanDerWaalsContact C-N 3.27Å; R319-E321 PolarHBondContact O-N 3.4Å; R319-G322 PolarHBondContact O-N 2.83Å |
| 320 | R | 61.2 | Low | 70.3 | Confident | 174 Ų | 174 | 113.6 Ų | 113.6 | 66% | 0.657 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -4.1 | 179.2 | -167.8 | 168.7 | -176.9 | 157.2 | -0.2 | 114.2 | M316 G322 | M316-R320 WeakPolarHBondContact O-CB 3.26Å; M316-R320 WeakPolarHBondContact O-CD 3.34Å; R320-G322 PolarHBondContact O-N 2.92Å |
| 321 | E | 57.3 | Low | 69.3 | Low | 158 Ų | 158 | 110 Ų | 110 | 74% | 0.738 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -8.5 | 165.3 | -65.4 | -179.1 | 169 | 0 | 0 | 113.2 | R319 V323 E324 | R319-E321 VanDerWaalsContact C-N 3.27Å; R319-E321 PolarHBondContact O-N 3.4Å; E321-V323 PolarHBondContact O-N 3.21Å; E321-E324 PolarHBondContact O-N 2.86Å |
| 322 | G | 59.4 | Low | 68.4 | Low | 27 Ų | 27 | 109.3 Ų | 109.3 | 28% | 0.278 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.1 | -3.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R319 R320 R326 | R319-G322 PolarHBondContact O-N 2.83Å; R320-G322 PolarHBondContact O-N 2.92Å; G322-R326 WeakPolarHBondContact O-CB 3.36Å; G322-R326 WeakPolarHBondContact O-CG 3.38Å; G322-R326 PolarHBondContact O-N 2.78Å; G322-R326 PolarHBondContact O-NE 3.47Å |
| 323 | V | 62.9 | Low | 67.7 | Low | 68 Ų | 68 | 111.2 Ų | 111.2 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74 | -44.1 | 172.9 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | E321 R326 N327 | E321-V323 PolarHBondContact O-N 3.21Å; V323-R326 PolarHBondContact O-N 3.05Å; V323-N327 WeakPolarHBondContact O-CB 3.37Å; V323-N327 VanDerWaalsContact O-CG 3.26Å; V323-N327 PolarHBondContact O-N 3.43Å |
| 324 | E | 63 | Low | 66.9 | Low | 161 Ų | 161 | 114.8 Ų | 114.8 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.6 | -40.4 | -177.4 | -160.6 | 146.4 | -169 | 0 | 0 | 111.5 | E321 R326 N327 M328 | E321-E324 PolarHBondContact O-N 2.86Å; E324-R326 VanDerWaalsContact C-N 3.32Å; E324-R326 PolarHBondContact O-N 3.34Å; E324-N327 PolarHBondContact O-N 3.4Å; E324-M328 PolarHBondContact O-N 3.33Å |
| 325 | K | 63.6 | Low | 66.5 | Low | 151 Ų | 151 | 110.6 Ų | 110.6 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.2 | -33.8 | 173.7 | -148.6 | 173.5 | -172.3 | 175.9 | 0 | 113 | Q329 | K325-Q329 PolarHBondContact O-N 3.17Å |
| 326 | R | 62.3 | Low | 66.4 | Low | 159 Ų | 159 | 112.4 Ų | 112.4 | 60% | 0.6 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.6 | -39.1 | 174.2 | -78.6 | -175.8 | -69.4 | 173 | -1 | 112.4 | G322 V323 E324 M328 Q329 T330 | G322-R326 WeakPolarHBondContact O-CB 3.36Å; G322-R326 WeakPolarHBondContact O-CG 3.38Å; G322-R326 PolarHBondContact O-N 2.78Å; G322-R326 PolarHBondContact O-NE 3.47Å; V323-R326 PolarHBondContact O-N 3.05Å; E324-R326 VanDerWaalsContact C-N 3.32Å; E324-R326 PolarHBondContact O-N 3.34Å; R326-M328 VanDerWaalsContact C-N 3.33Å; R326-M328 PolarHBondContact O-N 2.71Å; R326-Q329 PolarHBondContact O-N 3.31Å; R326-T330 PolarHBondContact O-N 2.9Å; R326-T330 PolarHBondContact O-OG1 2.95Å |
| 327 | N | 62.7 | Low | 66.3 | Low | 77 Ų | 77 | 112.9 Ų | 112.9 | 41% | 0.412 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.6 | -36.4 | 176.1 | -71.4 | -10.8 | 0 | 0 | 0 | 111.7 | V323 E324 Q329 T330 L335 | V323-N327 WeakPolarHBondContact O-CB 3.37Å; V323-N327 VanDerWaalsContact O-CG 3.26Å; V323-N327 PolarHBondContact O-N 3.43Å; E324-N327 PolarHBondContact O-N 3.4Å; N327-Q329 VanDerWaalsContact C-N 3.3Å; N327-Q329 PolarHBondContact O-N 3.45Å; N327-T330 PolarHBondContact O-N 2.9Å; N327-L335 HydrophobicContact CB-CD2 4.44Å; N327-L335 WeakPolarHBondContact O-CD1 2.89Å |
| 328 | M | 64.4 | Low | 66.5 | Low | 159 Ų | 159 | 113.8 Ų | 113.8 | 78% | 0.783 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -29.2 | 175.3 | -162.4 | -176.9 | 79.8 | 0 | 0 | 113.3 | E324 R326 | E324-M328 PolarHBondContact O-N 3.33Å; R326-M328 VanDerWaalsContact C-N 3.33Å; R326-M328 PolarHBondContact O-N 2.71Å |
| 329 | Q | 67 | Low | 67.2 | Low | 153 Ų | 153 | 113.4 Ų | 113.4 | 72% | 0.715 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -90.3 | -3.9 | 179.4 | -76.3 | 179.8 | -31.9 | 0 | 0 | 114.1 | K325 R326 N327 | K325-Q329 PolarHBondContact O-N 3.17Å; R326-Q329 PolarHBondContact O-N 3.31Å; N327-Q329 VanDerWaalsContact C-N 3.3Å; N327-Q329 PolarHBondContact O-N 3.45Å |
| 330 | T | 67.4 | Low | 68.1 | Low | 48 Ų | 48 | 106.9 Ų | 106.9 | 29% | 0.294 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -98.6 | 129.1 | -178.8 | -50.8 | 0 | 0 | 0 | 0 | 109.9 | R326 N327 Q334 L335 | R326-T330 PolarHBondContact O-N 2.9Å; R326-T330 PolarHBondContact O-OG1 2.95Å; N327-T330 PolarHBondContact O-N 2.9Å; T330-Q334 HydrophobicContact CG2-CB 4.04Å; T330-L335 HydrophobicContact CG2-CG 4.34Å |
| 331 | P | 69.4 | Low | 68.9 | Low | 78 Ų | 78 | 102.3 Ų | 102.3 | 51% | 0.506 | 54% | 0.537 | S | S | . | . | trans | -62.3 | 138.8 | 179.8 | 23.9 | -32.2 | 0 | 0 | 0 | 111.4 | I333 Q334 L335 | P331-I333 PolarHBondContact O-N 3.03Å; P331-Q334 HydrophobicContact CG-CG 4.5Å; P331-Q334 PolarHBondContact O-N 3.48Å; P331-L335 PolarHBondContact O-N 2.9Å | ||
| 332 | A | 69.1 | Low | 70.1 | Confident | 76 Ų | 76 | 101.7 Ų | 101.7 | 63% | 0.628 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -53.4 | -31.7 | -169 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q334 L335 V336 | A332-Q334 PolarHBondContact O-N 3.43Å; A332-L335 PolarHBondContact O-N 3.36Å; A332-V336 WeakPolarHBondContact O-CG2 3.3Å; A332-V336 PolarHBondContact O-N 2.92Å |
| 333 | I | 70.4 | Confident | 71.2 | Confident | 141 Ų | 141 | 107.7 Ų | 107.7 | 72% | 0.723 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.5 | -37.7 | 178.8 | -162 | 76.9 | 0 | 0 | 0 | 112.7 | P331 H337 | P331-I333 PolarHBondContact O-N 3.03Å; I333-H337 PolarHBondContact O-N 3.48Å |
| 334 | Q | 69.2 | Low | 72.1 | Confident | 103 Ų | 103 | 107 Ų | 107 | 48% | 0.481 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -76.5 | -35 | 178.4 | -75.7 | -177.7 | -25.8 | 0 | 0 | 111.2 | T330 P331 A332 V336 H337 H338 | T330-Q334 HydrophobicContact CG2-CB 4.04Å; P331-Q334 HydrophobicContact CG-CG 4.5Å; P331-Q334 PolarHBondContact O-N 3.48Å; A332-Q334 PolarHBondContact O-N 3.43Å; Q334-V336 PolarHBondContact O-N 2.94Å; Q334-H337 PolarHBondContact O-N 2.96Å; Q334-H338 PolarHBondContact O-CD2 2.75Å; Q334-H338 PolarHBondContact O-N 2.99Å |
| 335 | L | 75.3 | Confident | 73 | Confident | 59 Ų | 59 | 102.3 Ų | 102.3 | 31% | 0.309 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 173.4 | -92.9 | 161.2 | 0 | 0 | 0 | 112.5 | N327 T330 P331 A332 H338 S339 | N327-L335 HydrophobicContact CB-CD2 4.44Å; N327-L335 WeakPolarHBondContact O-CD1 2.89Å; T330-L335 HydrophobicContact CG2-CG 4.34Å; P331-L335 PolarHBondContact O-N 2.9Å; A332-L335 PolarHBondContact O-N 3.36Å; L335-H338 PolarHBondContact O-N 3.37Å; L335-S339 WeakPolarHBondContact O-CB 3.3Å; L335-S339 PolarHBondContact O-N 3.3Å; L335-S339 PolarHBondContact O-OG 3.35Å |
| 336 | V | 76.8 | Confident | 73.9 | Confident | 97 Ų | 97 | 103 Ų | 103 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 175.4 | 176 | 0 | 0 | 0 | 0 | 110.9 | A332 Q334 S339 A340 | A332-V336 WeakPolarHBondContact O-CG2 3.3Å; A332-V336 PolarHBondContact O-N 2.92Å; Q334-V336 PolarHBondContact O-N 2.94Å; V336-S339 WeakPolarHBondContact CA-OG 3.33Å; V336-S339 PolarHBondContact O-N 2.83Å; V336-S339 PolarHBondContact O-OG 2.81Å; V336-A340 VanDerWaalsContact O-CB 3.31Å; V336-A340 WeakPolarHBondContact O-CB 3.47Å; V336-A340 PolarHBondContact O-N 3.38Å |
| 337 | H | 75.1 | Confident | 74.8 | Confident | 119 Ų | 119 | 101.5 Ų | 101.5 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.9 | -44.2 | 176.8 | -171.5 | -99.3 | 0 | 0 | 0 | 112.5 | I333 Q334 A340 I341 | I333-H337 PolarHBondContact O-N 3.48Å; Q334-H337 PolarHBondContact O-N 2.96Å; H337-A340 PolarHBondContact O-N 2.85Å; H337-I341 WeakPolarHBondContact CE1-CD1 3.44Å; H337-I341 WeakPolarHBondContact O-CG1 3.31Å; H337-I341 PolarHBondContact O-N 3.47Å |
| 338 | H | 74.8 | Confident | 75.5 | Confident | 117 Ų | 117 | 103 Ų | 103 | 54% | 0.542 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 178.1 | -76.8 | -67.8 | 0 | 0 | 0 | 112.9 | Q334 L335 I341 Q342 | Q334-H338 PolarHBondContact O-CD2 2.75Å; Q334-H338 PolarHBondContact O-N 2.99Å; L335-H338 PolarHBondContact O-N 3.37Å; H338-I341 PolarHBondContact O-N 3.43Å; H338-Q342 WeakPolarHBondContact O-CB 3.35Å; H338-Q342 PolarHBondContact O-N 3.21Å |
| 339 | S | 78.4 | Confident | 76.2 | Confident | 65 Ų | 65 | 104.1 Ų | 104.1 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.8 | -36.1 | 174.9 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | L335 V336 Q342 K343 | L335-S339 WeakPolarHBondContact O-CB 3.3Å; L335-S339 PolarHBondContact O-N 3.3Å; L335-S339 PolarHBondContact O-OG 3.35Å; V336-S339 WeakPolarHBondContact CA-OG 3.33Å; V336-S339 PolarHBondContact O-N 2.83Å; V336-S339 PolarHBondContact O-OG 2.81Å; S339-Q342 PolarHBondContact O-N 3.13Å; S339-K343 WeakPolarHBondContact O-CB 3.36Å; S339-K343 PolarHBondContact O-N 2.67Å |
| 340 | A | 81.2 | Confident | 76.6 | Confident | 55 Ų | 55 | 98.6 Ų | 98.6 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V336 H337 Q342 K343 S344 | V336-A340 VanDerWaalsContact O-CB 3.31Å; V336-A340 WeakPolarHBondContact O-CB 3.47Å; V336-A340 PolarHBondContact O-N 3.38Å; H337-A340 PolarHBondContact O-N 2.85Å; A340-Q342 VanDerWaalsContact C-N 3.34Å; A340-Q342 PolarHBondContact O-N 2.92Å; A340-K343 PolarHBondContact O-N 2.93Å; A340-S344 PolarHBondContact O-N 3.22Å; A340-S344 PolarHBondContact O-OG 2.89Å |
| 341 | I | 78.4 | Confident | 76.7 | Confident | 78 Ų | 78 | 101.8 Ų | 101.8 | 40% | 0.4 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 174.9 | -69.3 | 171.9 | 0 | 0 | 0 | 111.2 | H337 H338 S344 T345 | H337-I341 WeakPolarHBondContact CE1-CD1 3.44Å; H337-I341 WeakPolarHBondContact O-CG1 3.31Å; H337-I341 PolarHBondContact O-N 3.47Å; H338-I341 PolarHBondContact O-N 3.43Å; I341-S344 WeakPolarHBondContact CA-OG 3.36Å; I341-S344 PolarHBondContact O-N 3.49Å; I341-S344 PolarHBondContact O-OG 2.96Å; I341-T345 VanDerWaalsContact O-CB 3.29Å; I341-T345 WeakPolarHBondContact O-CB 3.29Å; I341-T345 PolarHBondContact O-N 3.3Å; I341-T345 PolarHBondContact O-OG1 3.49Å |
| 342 | Q | 80.9 | Confident | 76.7 | Confident | 144 Ų | 144 | 101.4 Ų | 101.4 | 67% | 0.673 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.1 | -37.7 | 178.9 | -165 | 178.5 | 5.6 | 0 | 0 | 111.5 | H338 S339 A340 K346 | H338-Q342 WeakPolarHBondContact O-CB 3.35Å; H338-Q342 PolarHBondContact O-N 3.21Å; S339-Q342 PolarHBondContact O-N 3.13Å; A340-Q342 VanDerWaalsContact C-N 3.34Å; A340-Q342 PolarHBondContact O-N 2.92Å; Q342-K346 VanDerWaalsContact O-CB 3.3Å; Q342-K346 WeakPolarHBondContact O-CB 3.48Å; Q342-K346 PolarHBondContact O-N 2.93Å |
| 343 | K | 83 | Confident | 76.6 | Confident | 154 Ų | 154 | 105.3 Ų | 105.3 | 67% | 0.67 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.2 | -48.9 | 174.6 | -171.1 | 179.7 | 178.7 | -175.9 | 0 | 111.1 | S339 A340 T345 K346 E347 | S339-K343 WeakPolarHBondContact O-CB 3.36Å; S339-K343 PolarHBondContact O-N 2.67Å; A340-K343 PolarHBondContact O-N 2.93Å; K343-T345 PolarHBondContact O-N 3.35Å; K343-K346 PolarHBondContact O-N 2.95Å; K343-E347 WeakPolarHBondContact O-CB 3.39Å; K343-E347 PolarHBondContact O-N 2.82Å |
| 344 | S | 82 | Confident | 76.2 | Confident | 52 Ų | 52 | 105.5 Ų | 105.5 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 177.8 | 64.4 | 0 | 0 | 0 | 0 | 112.3 | A340 I341 K346 E347 L348 | A340-S344 PolarHBondContact O-N 3.22Å; A340-S344 PolarHBondContact O-OG 2.89Å; I341-S344 WeakPolarHBondContact CA-OG 3.36Å; I341-S344 PolarHBondContact O-N 3.49Å; I341-S344 PolarHBondContact O-OG 2.96Å; S344-K346 PolarHBondContact O-N 3.03Å; S344-E347 PolarHBondContact O-N 3.11Å; S344-L348 WeakPolarHBondContact O-CB 3.28Å; S344-L348 WeakPolarHBondContact O-CG 3.35Å; S344-L348 PolarHBondContact O-N 3.45Å |
| 345 | T | 81.4 | Confident | 75.7 | Confident | 64 Ų | 64 | 110.1 Ų | 110.1 | 39% | 0.393 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.1 | -37.6 | 175.6 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | I341 K343 R349 | I341-T345 VanDerWaalsContact O-CB 3.29Å; I341-T345 WeakPolarHBondContact O-CB 3.29Å; I341-T345 PolarHBondContact O-N 3.3Å; I341-T345 PolarHBondContact O-OG1 3.49Å; K343-T345 PolarHBondContact O-N 3.35Å; T345-R349 WeakPolarHBondContact O-CB 3.41Å; T345-R349 PolarHBondContact O-N 2.87Å |
| 346 | K | 82.4 | Confident | 75 | Confident | 166 Ų | 166 | 115.3 Ų | 115.3 | 72% | 0.722 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.4 | -36.1 | 177 | -164.5 | 177.3 | -177 | -177.6 | 0 | 111.5 | Q342 K343 S344 G350 | Q342-K346 VanDerWaalsContact O-CB 3.3Å; Q342-K346 WeakPolarHBondContact O-CB 3.48Å; Q342-K346 PolarHBondContact O-N 2.93Å; K343-K346 PolarHBondContact O-N 2.95Å; S344-K346 PolarHBondContact O-N 3.03Å; K346-G350 PolarHBondContact O-N 3.12Å |
| 347 | E | 81.3 | Confident | 73.9 | Confident | 126 Ų | 126 | 117.7 Ų | 117.7 | 59% | 0.589 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.5 | -46.4 | 173.9 | -166.1 | 173.3 | -174.3 | 0 | 0 | 111.5 | K343 S344 R349 G350 M351 | K343-E347 WeakPolarHBondContact O-CB 3.39Å; K343-E347 PolarHBondContact O-N 2.82Å; S344-E347 PolarHBondContact O-N 3.11Å; E347-R349 PolarHBondContact O-N 3.06Å; E347-G350 WeakPolarHBondContact O-CA 3.33Å; E347-G350 PolarHBondContact O-N 3.47Å; E347-M351 WeakPolarHBondContact O-CG 3.44Å; E347-M351 PolarHBondContact O-N 3.31Å |
| 348 | L | 78.1 | Confident | 72.8 | Confident | 109 Ų | 109 | 116.9 Ų | 116.9 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.8 | -41.8 | 173 | -74.8 | 165.8 | 0 | 0 | 0 | 112.4 | S344 G350 M351 S352 | S344-L348 WeakPolarHBondContact O-CB 3.28Å; S344-L348 WeakPolarHBondContact O-CG 3.35Å; S344-L348 PolarHBondContact O-N 3.45Å; L348-G350 VanDerWaalsContact C-N 3.34Å; L348-M351 HydrophobicContact CD2-CE 3.65Å; L348-M351 HydrophobicContact CG-CE 4.37Å; L348-M351 PolarHBondContact O-N 3.46Å; L348-S352 PolarHBondContact O-N 3.39Å |
| 349 | R | 77.8 | Confident | 71.6 | Confident | 183 Ų | 183 | 122.2 Ų | 122.2 | 69% | 0.691 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.5 | -32.3 | 172.4 | -86.1 | -176.2 | 174.1 | 175 | -1.1 | 112.9 | T345 E347 S352 K353 | T345-R349 WeakPolarHBondContact O-CB 3.41Å; T345-R349 PolarHBondContact O-N 2.87Å; E347-R349 PolarHBondContact O-N 3.06Å; R349-S352 PolarHBondContact O-N 2.94Å; R349-S352 PolarHBondContact O-OG 2.9Å; R349-S352 VanDerWaalsContact O-OG 3.06Å; R349-K353 WeakPolarHBondContact O-CB 3.47Å; R349-K353 PolarHBondContact O-N 3.36Å |
| 350 | G | 76.7 | Confident | 70.4 | Confident | 36 Ų | 36 | 122.6 Ų | 122.6 | 37% | 0.371 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.3 | -44.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K346 E347 L348 K353 N354 | K346-G350 PolarHBondContact O-N 3.12Å; E347-G350 WeakPolarHBondContact O-CA 3.33Å; E347-G350 PolarHBondContact O-N 3.47Å; L348-G350 VanDerWaalsContact C-N 3.34Å; G350-K353 PolarHBondContact O-N 3.06Å; G350-N354 PolarHBondContact O-N 3.44Å |
| 351 | M | 70.1 | Confident | 69.1 | Low | 116 Ų | 116 | 127.1 Ų | 127.1 | 57% | 0.571 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.8 | -35 | 174.2 | -65 | -167.9 | -63 | 0 | 0 | 112.6 | E347 L348 | E347-M351 WeakPolarHBondContact O-CG 3.44Å; E347-M351 PolarHBondContact O-N 3.31Å; L348-M351 HydrophobicContact CD2-CE 3.65Å; L348-M351 HydrophobicContact CG-CE 4.37Å; L348-M351 PolarHBondContact O-N 3.46Å |
| 352 | S | 69.1 | Low | 67.9 | Low | 70 Ų | 70 | 128.3 Ų | 128.3 | 49% | 0.49 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.9 | -34.2 | 176.1 | 83.9 | 0 | 0 | 0 | 0 | 112.7 | L348 R349 N354 R355 | L348-S352 PolarHBondContact O-N 3.39Å; R349-S352 PolarHBondContact O-N 2.94Å; R349-S352 PolarHBondContact O-OG 2.9Å; R349-S352 VanDerWaalsContact O-OG 3.06Å; S352-N354 VanDerWaalsContact C-N 3.28Å; S352-N354 PolarHBondContact O-N 3.41Å; S352-R355 VanDerWaalsContact O-CB 3.28Å; S352-R355 WeakPolarHBondContact O-CB 3.43Å; S352-R355 PolarHBondContact O-N 2.88Å; S352-R355 VanDerWaalsContact O-N 3.12Å |
| 353 | K | 67.1 | Low | 66.7 | Low | 158 Ų | 158 | 126.3 Ų | 126.3 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.3 | -24.9 | 179 | -152.4 | 178.5 | -175.4 | -172.1 | 0 | 112.5 | R349 G350 R355 | R349-K353 WeakPolarHBondContact O-CB 3.47Å; R349-K353 PolarHBondContact O-N 3.36Å; G350-K353 PolarHBondContact O-N 3.06Å; K353-R355 PolarHBondContact O-N 2.87Å |
| 354 | N | 61.8 | Low | 65.3 | Low | 145 Ų | 145 | 124.8 Ų | 124.8 | 78% | 0.775 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 5.6 | 170.9 | -71.2 | -9.1 | 0 | 0 | 0 | 113.4 | G350 S352 | G350-N354 PolarHBondContact O-N 3.44Å; S352-N354 VanDerWaalsContact C-N 3.28Å; S352-N354 PolarHBondContact O-N 3.41Å |
| 355 | R | 59.1 | Low | 63.9 | Low | 199 Ų | 199 | 127.7 Ų | 127.7 | 75% | 0.751 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 10.7 | 179.2 | -142.3 | -178.7 | -173.7 | -155.5 | 1.8 | 113.6 | S352 K353 I357 | S352-R355 VanDerWaalsContact O-CB 3.28Å; S352-R355 WeakPolarHBondContact O-CB 3.43Å; S352-R355 PolarHBondContact O-N 2.88Å; S352-R355 VanDerWaalsContact O-N 3.12Å; K353-R355 PolarHBondContact O-N 2.87Å; R355-I357 PolarHBondContact O-N 3.2Å |
| 356 | E | 59.1 | Low | 62.7 | Low | 169 Ų | 169 | 130 Ų | 130 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | trans | -85.9 | 43.2 | 176.3 | -70.2 | -175.6 | 173.8 | 0 | 0 | 113 | ||||
| 357 | I | 55.1 | Low | 61.2 | Low | 146 Ų | 146 | 128.4 Ų | 128.4 | 75% | 0.749 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -130.7 | 112.3 | 162.8 | -59 | 169.4 | 0 | 0 | 0 | 106.1 | R355 | R355-I357 PolarHBondContact O-N 3.2Š|
| 358 | S | 51.3 | Low | 59.9 | Low | 103 Ų | 103 | 127.2 Ų | 127.2 | 72% | 0.72 | 66% | 0.658 | S | S | * | * | trans | 48 | 117.9 | 176.8 | 44.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 359 | W | 50 | Low | 58.9 | Low | 229 Ų | 229 | 128 Ų | 128 | 87% | 0.867 | 67% | 0.669 | S | S | * | * | trans | -54.3 | 129 | 161.4 | -80.2 | 82.3 | 0 | 0 | 0 | 109.1 | L361 | W359-L361 PolarHBondContact O-N 3.23Š| ||
| 360 | P | 53.1 | Low | 57.9 | Low | 72 Ų | 72 | 125.8 Ų | 125.8 | 47% | 0.468 | 68% | 0.676 | S | S | . | * | trans | -65.1 | 124.4 | 176 | 25.5 | -31.7 | 0 | 0 | 0 | 109.3 | S362 | P360-S362 PolarHBondContact O-N 2.96Š| ||
| 361 | L | 52.6 | Low | 57.2 | Low | 151 Ų | 151 | 127.6 Ų | 127.6 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -56.4 | -6.1 | -179.6 | -70.4 | 162.4 | 0 | 0 | 0 | 114.3 | W359 T363 L364 | W359-L361 PolarHBondContact O-N 3.23Å; L361-T363 VanDerWaalsContact C-N 3.29Å; L361-T363 PolarHBondContact O-N 3.4Å; L361-L364 HydrophobicContact CD2-CD1 4.21Å |
| 362 | S | 54.8 | Low | 56.6 | Low | 103 Ų | 103 | 125.1 Ų | 125.1 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -79.6 | 1.4 | -176.9 | 58.9 | 0 | 0 | 0 | 0 | 115.4 | P360 | P360-S362 PolarHBondContact O-N 2.96Š|
| 363 | T | 55.1 | Low | 55.7 | Low | 102 Ų | 102 | 128.9 Ų | 128.9 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -115.4 | 9.4 | 176.5 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | L361 | L361-T363 VanDerWaalsContact C-N 3.29Å; L361-T363 PolarHBondContact O-N 3.4Å |
| 364 | L | 52.8 | Low | 54.9 | Low | 121 Ų | 121 | 126 Ų | 126 | 63% | 0.634 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -80.3 | 130.6 | 168.6 | -77.7 | 166.5 | 0 | 0 | 0 | 110.3 | L361 V366 | L361-L364 HydrophobicContact CD2-CD1 4.21Å; L364-V366 PolarHBondContact O-N 3.36Å |
| 365 | P | 52.6 | Low | 54.4 | Low | 113 Ų | 113 | 124.9 Ų | 124.9 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | trans | -66.6 | 127.9 | 178.3 | 25.6 | -31.3 | 0 | 0 | 0 | 110.7 | F367 | P365-F367 PolarHBondContact O-N 2.86Š| ||
| 366 | V | 56.2 | Low | 53.8 | Low | 114 Ų | 114 | 120 Ų | 120 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -73.7 | -7.1 | -173.8 | 175.4 | 0 | 0 | 0 | 0 | 113.5 | L364 | L364-V366 PolarHBondContact O-N 3.36Š|
| 367 | F | 51.7 | Low | 53.2 | Low | 131 Ų | 131 | 118.2 Ų | 118.2 | 58% | 0.575 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -136.1 | 134.1 | -179 | -61 | -83.6 | 0 | 0 | 0 | 111.2 | P365 P369 V374 | P365-F367 PolarHBondContact O-N 2.86Å; F367-P369 WeakPolarHBondContact O-CD 3.46Å; F367-V374 HydrophobicContact CE1-CG2 3.96Å |
| 368 | N | 54.7 | Low | 52.6 | Low | 101 Ų | 101 | 119 Ų | 119 | 54% | 0.54 | 69% | 0.692 | S | S | . | * | trans | -83.8 | 113.8 | 170.1 | -168.3 | -13.2 | 0 | 0 | 0 | 108.7 | V370 S371 G372 | N368-V370 PolarHBondContact O-N 3.36Å; N368-S371 PolarHBondContact O-N 2.87Å; N368-G372 PolarHBondContact O-N 3.48Å | ||
| 369 | P | 56.4 | Low | 51.8 | Low | 125 Ų | 125 | 122.7 Ų | 122.7 | 81% | 0.812 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -1.8 | -165.3 | 25.3 | -34.7 | 0 | 0 | 0 | 115.8 | F367 | F367-P369 WeakPolarHBondContact O-CD 3.46Š|
| 370 | V | 56.3 | Low | 51.6 | Low | 138 Ų | 138 | 116 Ų | 116 | 84% | 0.836 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -30.2 | -177 | -179.5 | 0 | 0 | 0 | 0 | 112.9 | N368 | N368-V370 PolarHBondContact O-N 3.36Š|
| 371 | S | 61.8 | Low | 50.5 | Low | 73 Ų | 73 | 120.2 Ų | 120.2 | 51% | 0.51 | 70% | 0.702 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.8 | -12 | -177.1 | 63 | 0 | 0 | 0 | 0 | 114.5 | N368 E373 | N368-S371 PolarHBondContact O-N 2.87Å; S371-E373 PolarHBondContact O-N 3.46Å |
| 372 | G | 58.2 | Low | 49.5 | Very low | 65 Ų | 65 | 118.2 Ų | 118.2 | 67% | 0.67 | 69% | 0.692 | S | S | * | * | trans | 60.8 | 5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | N368 | N368-G372 PolarHBondContact O-N 3.48Š| ||
| 373 | E | 49.8 | Very low | 48.4 | Very low | 148 Ų | 148 | 122.6 Ų | 122.6 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | trans | -91.2 | 130.4 | -174.5 | -155 | 170.7 | -166 | 0 | 0 | 110.1 | S371 V375 | S371-E373 PolarHBondContact O-N 3.46Å; E373-V375 PolarHBondContact O-N 3.25Å | ||
| 374 | V | 50.7 | Low | 47.2 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 59% | 0.594 | 70% | 0.699 | S | S | * | * | trans | -80.8 | 115.8 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | F367 P376 | F367-V374 HydrophobicContact CE1-CG2 3.96Å; V374-P376 WeakPolarHBondContact O-CD 3.4Å | ||
| 375 | V | 51.6 | Low | 46.1 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 123.7 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | E373 | E373-V375 PolarHBondContact O-N 3.25Š|
| 376 | P | 46.7 | Very low | 45.4 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 63% | 0.63 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 145.9 | 177.7 | -15.4 | 28.2 | 0 | 0 | 0 | 111.2 | V374 I378 | V374-P376 WeakPolarHBondContact O-CD 3.4Å; P376-I378 PolarHBondContact O-N 3.47Å |
| 377 | P | 45.5 | Very low | 44.7 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 86% | 0.857 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 119.6 | 179.6 | 27 | -32.4 | 0 | 0 | 0 | 110.6 | H379 | P377-H379 PolarHBondContact O-N 3.48Š|
| 378 | I | 42.6 | Very low | 43.9 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 84% | 0.836 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 119.1 | 170.5 | -59.9 | 176.2 | 0 | 0 | 0 | 107.5 | P376 | P376-I378 PolarHBondContact O-N 3.47Š|
| 379 | H | 35.7 | Very low | 43.2 | Very low | 179 Ų | 179 | 128.5 Ų | 128.5 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 146.8 | 176.8 | -157.1 | 64.1 | 0 | 0 | 0 | 110.4 | P377 | P377-H379 PolarHBondContact O-N 3.48Š|
| 380 | P | 44.1 | Very low | 42 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 58% | 0.584 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -99 | 143.8 | -150.5 | 36.5 | -29.4 | 0 | 0 | 0 | 112.2 | ||
| 381 | D | 31.8 | Very low | 41 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | trans | -119.7 | 126.8 | 153.2 | -78.7 | -38.1 | 0 | 0 | 0 | 108.9 | ||||
| 382 | N | 29.8 | Very low | 39.7 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 59% | 0.588 | 75% | 0.751 | S | S | * | * | trans | 89 | 99.7 | 155.3 | -82.8 | -7.8 | 0 | 0 | 0 | 122.6 | ||||
| 383 | Y | 32.4 | Very low | 38.4 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | 67.1 | 149.8 | 139.8 | -43 | -67.2 | 0 | 0 | 0 | 118.4 | ||||
| 384 | E | 29.2 | Very low | 37.6 | Very low | 156 Ų | 156 | 142 Ų | 142 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | cis | -162.1 | 147.2 | -19.4 | -118.1 | -162.6 | -176.2 | 0 | 0 | 104.2 | ||||
| 385 | T | 31.5 | Very low | 36.6 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 56.8 | 117.9 | 163.3 | 65.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 386 | T | 37.5 | Very low | 35.4 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | -173.1 | 130 | 77.5 | 4.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 387 | S | 41.8 | Very low | 34.7 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -62.3 | 124.4 | 167.6 | 48.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 388 | M | 33.6 | Very low | 34 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | -134.9 | 130.9 | 155.2 | -93.6 | -173.4 | -141.8 | 0 | 0 | 110.8 | ||||
| 389 | P | 40.5 | Very low | 33.5 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -84 | 141.7 | -174.6 | 33.5 | -31.8 | 0 | 0 | 0 | 111.8 | M391 | P389-M391 PolarHBondContact O-N 3.25Š| ||
| 390 | L | 31.6 | Very low | 33.1 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | -64.1 | 123.2 | 167.5 | -91.4 | 149 | 0 | 0 | 0 | 110.1 | ||||
| 391 | M | 34.4 | Very low | 32.4 | Very low | 166 Ų | 166 | 146 Ų | 146 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -122.8 | 111.3 | 158 | -81.7 | -154.3 | 96.8 | 0 | 0 | 111.6 | P389 | P389-M391 PolarHBondContact O-N 3.25Š| ||
| 392 | Q | 35.3 | Very low | 32.2 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | trans | 2 | 118.4 | 143.2 | -72.8 | 164.7 | -17.5 | 0 | 0 | 117.1 | ||||
| 393 | T | 31.4 | Very low | 32.2 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 92% | 0.92 | 77% | 0.773 | S | S | * | * | trans | -73.8 | 117.1 | 154.3 | 43.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 394 | Q | 32.3 | Very low | 32.2 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -105.5 | 118.9 | 168.2 | -164.1 | 166.7 | -18.9 | 0 | 0 | 109.2 | ||||
| 395 | A | 29.1 | Very low | 32.2 | Very low | 79 Ų | 79 | 143 Ų | 143 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | trans | 28.4 | 140.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 396 | N | 27.7 | Very low | 32 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | 73.6 | 143 | 147.2 | -82.5 | -42.7 | 0 | 0 | 0 | 117 | ||||
| 397 | L | 31.9 | Very low | 31.6 | Very low | 121 Ų | 121 | 151.6 Ų | 151.6 | 63% | 0.634 | 79% | 0.792 | S | S | * | * | cis | -167 | 141.3 | 20.5 | -118.4 | 150.5 | 0 | 0 | 0 | 109.9 | ||||
| 398 | Q | 28.9 | Very low | 31.6 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | 67.3 | 142.1 | 135.1 | -96.8 | 170.3 | 2.3 | 0 | 0 | 126.3 | ||||
| 399 | N | 32 | Very low | 31.3 | Very low | 132 Ų | 132 | 149.1 Ų | 149.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | 91 | 93.8 | 158.4 | -60.6 | -14.2 | 0 | 0 | 0 | 116.9 | ||||
| 400 | Q | 27.5 | Very low | 30.8 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | 77.6 | 105 | 60.4 | -166.4 | 171.1 | 1.2 | 0 | 0 | 113.6 | |||||
| 401 | I | 30.4 | Very low | 30.8 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -142.2 | 124.4 | 149.3 | -54.6 | 178.6 | 0 | 0 | 0 | 108.3 | ||||
| 402 | T | 27.8 | Very low | 30.7 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | -112.2 | 139.7 | -178.2 | -43.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 403 | I | 29.3 | Very low | 30.4 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -146.6 | 150.9 | 164.8 | -36.3 | 173.1 | 0 | 0 | 0 | 107.2 | ||||
| 404 | P | 32.3 | Very low | 30.4 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | -109.7 | 165.3 | -98.7 | 29 | -7.4 | 0 | 0 | 0 | 115 | |||||
| 405 | Q | 28.3 | Very low | 30.2 | Very low | 175 Ų | 175 | 147 Ų | 147 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -79.7 | 145.5 | 172 | -86.5 | -170 | -19.4 | 0 | 0 | 113.4 | ||||
| 406 | Q | 29.1 | Very low | 30.3 | Very low | 201 Ų | 201 | 147.9 Ų | 147.9 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | -124.2 | 146.7 | 151 | -88.2 | 179.5 | -28.3 | 0 | 0 | 109.3 | ||||
| 407 | R | 29.3 | Very low | 30.5 | Very low | 223 Ų | 223 | 147.1 Ų | 147.1 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -135.5 | 169.3 | -177.6 | -136.9 | -170.5 | -168.2 | 171.4 | 3.8 | 107.6 | ||||
| 408 | P | 40.3 | Very low | 30.4 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | -124.5 | 164.8 | -82 | 39.9 | -26 | 0 | 0 | 0 | 113.6 | |||||
| 409 | S | 28.3 | Very low | 30.4 | Very low | 126 Ų | 126 | 155.2 Ų | 155.2 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | trans | -174.7 | 123.2 | 151.9 | -84.2 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 410 | G | 29.7 | Very low | 30.2 | Very low | 66 Ų | 66 | 159.2 Ų | 159.2 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | 118.8 | 121.7 | 61.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | |||||
| 411 | D | 31.5 | Very low | 30.3 | Very low | 147 Ų | 147 | 159.2 Ų | 159.2 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | 83 | 92.4 | 167.7 | -54.6 | -21.2 | 0 | 0 | 0 | 120.3 | ||||
| 412 | N | 32.6 | Very low | 30.2 | Very low | 147 Ų | 147 | 159 Ų | 159 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | 27.9 | 101.9 | 127.3 | -66.8 | -15.7 | 0 | 0 | 0 | 119.4 | |||||
| 413 | Y | 28 | Very low | 30.3 | Very low | 230 Ų | 230 | 160 Ų | 160 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -127.7 | 106.9 | 144.6 | -72.2 | -84.5 | 0 | 0 | 0 | 109.4 | ||||
| 414 | V | 31.5 | Very low | 30.3 | Very low | 127 Ų | 127 | 160.3 Ų | 160.3 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | -83.2 | 113.3 | 169.6 | 171.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 415 | M | 29 | Very low | 30.1 | Very low | 192 Ų | 192 | 158 Ų | 158 | 95% | 0.946 | 82% | 0.815 | S | S | * | * | trans | -81.6 | 104.8 | 161.7 | -164.6 | 101.5 | 105.7 | 0 | 0 | 107 | ||||
| 416 | S | 31.3 | Very low | 30.3 | Very low | 97 Ų | 97 | 157.8 Ų | 157.8 | 68% | 0.678 | 82% | 0.818 | S | S | * | * | trans | -119.5 | 110.5 | 170.8 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 417 | T | 31.8 | Very low | 30.9 | Very low | 127 Ų | 127 | 153.6 Ų | 153.6 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -24.3 | 145.2 | 155.3 | 37.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 418 | F | 30.1 | Very low | 30.9 | Very low | 215 Ų | 215 | 152.6 Ų | 152.6 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | trans | -15 | 120.4 | 156.3 | -91.1 | -99.3 | 0 | 0 | 0 | 115.8 | ||||
| 419 | R | 28.5 | Very low | 30.6 | Very low | 237 Ų | 237 | 155.9 Ų | 155.9 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | trans | -118.7 | 123 | 156.8 | -101.9 | -173.9 | 179.2 | 178.6 | 0.3 | 111 | ||||
| 420 | R | 28.2 | Very low | 30.7 | Very low | 217 Ų | 217 | 160 Ų | 160 | 82% | 0.819 | 82% | 0.816 | S | S | * | * | trans | -58.7 | 130.3 | 164.6 | -167.3 | 179 | -165.8 | 156.4 | 1.3 | 109.5 | ||||
| 421 | L | 30 | Very low | 30.8 | Very low | 162 Ų | 162 | 165.6 Ų | 165.6 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -117 | 104.3 | 166.2 | -83 | 164.5 | 0 | 0 | 0 | 108.1 | ||||
| 422 | E | 27.4 | Very low | 31 | Very low | 161 Ų | 161 | 164.6 Ų | 164.6 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | trans | -91 | 129 | 149.7 | -82.7 | 173.1 | 164.5 | 0 | 0 | 106.8 | ||||
| 423 | V | 29.3 | Very low | 31 | Very low | 131 Ų | 131 | 162.2 Ų | 162.2 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -137.3 | 130.9 | 155.3 | 175.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 424 | N | 29.8 | Very low | 31.3 | Very low | 157 Ų | 157 | 160.1 Ų | 160.1 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | trans | -48.4 | 151.9 | -177 | -64.5 | -35.4 | 0 | 0 | 0 | 115.9 | ||||
| 425 | G | 28.9 | Very low | 31.4 | Very low | 69 Ų | 69 | 158.6 Ų | 158.6 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | -87.7 | 171.1 | 171 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 426 | I | 32 | Very low | 31.6 | Very low | 171 Ų | 171 | 157.6 Ų | 157.6 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | 172.8 | 148 | 122.8 | -84.1 | 164.9 | 0 | 0 | 0 | 107.8 | |||||
| 427 | P | 40.9 | Very low | 31.8 | Very low | 113 Ų | 113 | 161 Ų | 161 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | trans | -104.8 | 162.7 | -159.4 | 37.1 | -25 | 0 | 0 | 0 | 113.9 | ||||
| 428 | E | 30.6 | Very low | 32.2 | Very low | 202 Ų | 202 | 166 Ų | 166 | 94% | 0.944 | 85% | 0.849 | S | S | * | * | trans | -133.3 | 117 | 158.7 | -95 | -152.3 | 149.3 | 0 | 0 | 111.7 | ||||
| 429 | E | 32.9 | Very low | 32.3 | Very low | 179 Ų | 179 | 163.6 Ų | 163.6 | 84% | 0.836 | 84% | 0.844 | S | S | * | * | trans | -81.2 | 135.4 | 154.6 | -70.1 | -169.6 | 144.4 | 0 | 0 | 109.6 | ||||
| 430 | R | 31.6 | Very low | 32.5 | Very low | 214 Ų | 214 | 159.7 Ų | 159.7 | 81% | 0.808 | 84% | 0.842 | S | S | * | * | 158.3 | 134.5 | 123.7 | -101.6 | 179.3 | 171.4 | 168.7 | 0.5 | 113.5 | |||||
| 431 | K | 30.1 | Very low | 32.7 | Very low | 183 Ų | 183 | 156.6 Ų | 156.6 | 80% | 0.796 | 84% | 0.843 | S | S | * | * | trans | 70.7 | 132.4 | 156.9 | -60.4 | 175 | 179.3 | -172.3 | 0 | 113.6 | ||||
| 432 | V | 35.6 | Very low | 32.9 | Very low | 126 Ų | 126 | 156.2 Ų | 156.2 | 76% | 0.764 | 84% | 0.843 | S | S | * | * | -153.3 | 127.5 | 55 | 169.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 433 | A | 32.8 | Very low | 33.2 | Very low | 96 Ų | 96 | 155.9 Ų | 155.9 | 79% | 0.793 | 85% | 0.848 | S | S | * | * | trans | -85.3 | 118.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 434 | E | 34.3 | Very low | 33.5 | Very low | 186 Ų | 186 | 157.6 Ų | 157.6 | 87% | 0.869 | 85% | 0.852 | S | S | * | * | trans | 165.1 | 105.8 | 153.6 | -104.6 | -176.8 | 151.1 | 0 | 0 | 108 | ||||
| 435 | A | 33.4 | Very low | 33.8 | Very low | 96 Ų | 96 | 157.6 Ų | 157.6 | 79% | 0.793 | 85% | 0.853 | S | S | * | * | trans | 165.8 | 78.8 | 146 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 436 | L | 33.7 | Very low | 34.1 | Very low | 170 Ų | 170 | 164.5 Ų | 164.5 | 89% | 0.89 | 86% | 0.864 | S | S | * | * | trans | -164.8 | 73.2 | 150 | -103.9 | 146.7 | 0 | 0 | 0 | 107.5 | ||||
| 437 | N | 35.9 | Very low | 34.3 | Very low | 170 Ų | 170 | 163.9 Ų | 163.9 | 91% | 0.909 | 86% | 0.863 | S | S | * | * | trans | -108.2 | 96.6 | 148.1 | -109.8 | -24.6 | 0 | 0 | 0 | 105.5 | ||||
| 438 | L | 40 | Very low | 33.7 | Very low | 232 Ų | 232 | 168.5 Ų | 168.5 | 100% | 1.215 | 87% | 0.874 | S | S | * | * | trans | -161.1 | 0 | 142.4 | -104.8 | 165.5 | 0 | 0 | 0 | 108.3 |
Retrieved 438 of 438 residues in 299 ms
(Link to these results)