| 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 | 43.3 | Very low | 74.3 | Confident | 219 Ų | 219 | 99.9 Ų | 99.9 | 100% | 1.079 | 51% | 0.511 | S | S | * | . | 0 | 125.2 | 0 | -75 | 177.2 | 70.5 | 0 | 0 | 108.1 | L3 | M1-L3 PolarHBondContact O-N 3.11Š| |||
| 2 | P | 56.7 | Low | 75.7 | Confident | 132 Ų | 132 | 100.9 Ų | 100.9 | 86% | 0.857 | 51% | 0.511 | S | S | * | . | trans | -70.9 | 101.9 | 168.2 | 28.7 | -28.7 | 0 | 0 | 0 | 107.6 | V4 | P2-V4 PolarHBondContact O-N 2.91Š| ||
| 3 | L | 60.8 | Low | 76.7 | Confident | 117 Ų | 117 | 96.4 Ų | 96.4 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | trans | -62.9 | 124.3 | 166.9 | -75.7 | 150.5 | 0 | 0 | 0 | 106.5 | M1 T5 V120 | M1-L3 PolarHBondContact O-N 3.11Å; L3-T5 WeakPolarHBondContact O-CG2 3.44Å; L3-T5 PolarHBondContact O-N 3.46Å; L3-V120 HydrophobicContact CD1-CG1 4.26Å | ||
| 4 | V | 66 | Low | 77.2 | Confident | 101 Ų | 101 | 94.7 Ų | 94.7 | 61% | 0.612 | 49% | 0.489 | S | S | * | . | trans | -65.8 | 104.1 | 172 | -176.1 | 0 | 0 | 0 | 0 | 106.3 | P2 N7 | P2-V4 PolarHBondContact O-N 2.91Å; V4-N7 WeakPolarHBondContact CG1-OD1 3.3Å | ||
| 5 | T | 67.2 | Low | 77.7 | Confident | 47 Ų | 47 | 102.3 Ų | 102.3 | 29% | 0.288 | 51% | 0.509 | S | S | . | . | trans | -75.3 | -29.7 | -171.6 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | L3 P119 V120 | L3-T5 WeakPolarHBondContact O-CG2 3.44Å; L3-T5 PolarHBondContact O-N 3.46Å; T5-P119 WeakPolarHBondContact O-CB 2.91Å; T5-V120 HydrophobicContact CG2-CG2 3.78Å | ||
| 6 | R | 82.9 | Confident | 77.7 | Confident | 60 Ų | 60 | 102.9 Ų | 102.9 | 23% | 0.226 | 51% | 0.51 | C | S | . | . | trans | -134.3 | 110.7 | -169 | -62.8 | 178 | 179.6 | 93.1 | -3.2 | 109.6 | Y46 E53 P119 | R6-Y46 HydrophobicContact CB-CD1 3.58Å; R6-Y46 HydrophobicContact CB-CD2 4.26Å; R6-Y46 HydrophobicContact CB-CE1 3.81Å; R6-Y46 HydrophobicContact CB-CE2 4.45Å; R6-Y46 HydrophobicContact CB-CG 3.83Å; R6-Y46 HydrophobicContact CG-CD1 3.53Å; R6-Y46 HydrophobicContact CG-CE1 3.93Å; R6-Y46 HydrophobicContact CG-CG 4.13Å; R6-E53 VanDerWaalsContact NH2-CD 3.27Å; R6-E53 IonicContact NH2-OE1 3.45Å; R6-E53 PolarHBondContact NH2-OE1 3.28Å; R6-E53 IonicContact NH2-OE2 2.67Å; R6-E53 PolarHBondContact NH2-OE2 3.26Å; R6-P119 HydrophobicContact CG-CB 4.22Å; R6-P119 HydrophobicContact CG-CG 4.31Å | ||
| 7 | N | 84.2 | Confident | 77.9 | Confident | 42 Ų | 42 | 105.1 Ų | 105.1 | 23% | 0.225 | 53% | 0.531 | C | S | . | . | trans | -108.4 | 109.1 | -176.7 | -80.7 | -22.2 | 0 | 0 | 0 | 110 | V4 E9 R11 Y46 | V4-N7 WeakPolarHBondContact CG1-OD1 3.3Å; N7-E9 PolarHBondContact O-N 3.45Å; N7-R11 PolarHBondContact OD1-NH2 3.21Å; N7-Y46 VanDerWaalsContact C-CE2 3.5Å; N7-Y46 PolarHBondContact N-OH 3.09Å; N7-Y46 WeakPolarHBondContact O-CE2 3.24Å; N7-Y46 PolarHBondContact O-OH 3.2Å | ||
| 8 | I | 89 | Confident | 78.2 | Confident | 66 Ų | 66 | 102.4 Ų | 102.4 | 34% | 0.338 | 52% | 0.517 | S | S | . | . | trans | -68.9 | 125.3 | 178.5 | -50 | 179.1 | 0 | 0 | 0 | 109.9 | R11 Q39 L43 Y46 | I8-R11 WeakPolarHBondContact O-CG 3.49Å; I8-Q39 HydrophobicContact CG2-CB 4.47Å; I8-Q39 HydrophobicContact CG2-CG 3.34Å; I8-Q39 WeakPolarHBondContact CG2-O 3.29Å; I8-L43 HydrophobicContact CD1-CB 4.47Å; I8-L43 HydrophobicContact CD1-CD1 3.88Å; I8-Y46 HydrophobicContact CG1-CD2 4.35Å | ||
| 9 | E | 89 | Confident | 78.4 | Confident | 127 Ų | 127 | 100.9 Ų | 100.9 | 59% | 0.593 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -121.3 | 140.6 | -179.7 | -67.4 | -170.7 | 170.5 | 0 | 0 | 112 | N7 Q39 S42 | N7-E9 PolarHBondContact O-N 3.45Å; E9-Q39 WeakPolarHBondContact O-CA 3.49Å; E9-S42 PolarHBondContact N-OG 3.29Å; E9-S42 VanDerWaalsContact N-OG 3.12Å; E9-S42 WeakPolarHBondContact O-CB 3.39Å |
| 10 | P | 91.1 | Very high | 78.7 | Confident | 28 Ų | 28 | 102.5 Ų | 102.5 | 18% | 0.182 | 54% | 0.536 | C | S | . | . | cis | -76.8 | 143 | -1.5 | 29.9 | -33.5 | 0 | 0 | 0 | 112.9 | L13 N35 R38 Q39 | P10-L13 HydrophobicContact CG-CD2 4.34Å; P10-N35 HydrophobicContact CG-CB 3.8Å; P10-R38 HydrophobicContact CG-CB 4.48Å; P10-Q39 PolarHBondContact O-NE2 3.36Å | ||
| 11 | R | 87.5 | Confident | 79.2 | Confident | 160 Ų | 160 | 100.1 Ų | 100.1 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -74.9 | -30.7 | 175.4 | -73 | -173.1 | 174 | -175.4 | -1.9 | 113.4 | N7 I8 | N7-R11 PolarHBondContact OD1-NH2 3.21Å; I8-R11 WeakPolarHBondContact O-CG 3.49Å |
| 12 | H | 90.3 | Very high | 81.2 | Confident | 112 Ų | 112 | 102.5 Ų | 102.5 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | trans | -113.9 | 113.7 | -179.5 | -58.6 | -51.1 | 0 | 0 | 0 | 109.8 | R15 | H12-R15 HydrophobicContact CB-CB 4.01Å; H12-R15 HydrophobicContact CB-CG 4.09Å | ||
| 13 | L | 88.6 | Confident | 82.8 | Confident | 42 Ų | 42 | 98.2 Ų | 98.2 | 22% | 0.22 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -80.8 | -28.7 | -174.4 | -56.8 | 175.5 | 0 | 0 | 0 | 113.1 | P10 T32 N35 V36 Q39 | P10-L13 HydrophobicContact CG-CD2 4.34Å; L13-T32 HydrophobicContact CB-CG2 4.15Å; L13-N35 HydrophobicContact CB-CB 4.41Å; L13-N35 HydrophobicContact CD2-CB 3.82Å; L13-N35 PolarHBondContact O-ND2 3.07Å; L13-V36 HydrophobicContact CD1-CG2 3.7Å; L13-V36 HydrophobicContact CD2-CG2 4.25Å; L13-Q39 HydrophobicContact CD2-CB 4.45Å |
| 14 | C | 84.8 | Confident | 84.2 | Confident | 73 Ų | 73 | 98.3 Ų | 98.3 | 49% | 0.493 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -130.6 | 4.1 | -167.6 | -38.6 | 0 | 0 | 0 | 0 | 114.5 | Q16 T32 | C14-Q16 PolarHBondContact O-N 3.41Å; C14-Q16 VanDerWaalsContact O-N 3.16Å; C14-T32 WeakPolarHBondContact SG-CG2 3.33Å; C14-T32 PolarHBondContact SG-OG1 3.22Å |
| 15 | R | 83.5 | Confident | 85.4 | Confident | 209 Ų | 209 | 99.9 Ų | 99.9 | 79% | 0.789 | 50% | 0.498 | S | S | * | . | trans | -86.4 | 31.3 | -172.6 | -66.7 | -169.8 | 171.1 | -150.4 | -2.7 | 114.2 | H12 | H12-R15 HydrophobicContact CB-CB 4.01Å; H12-R15 HydrophobicContact CB-CG 4.09Å | ||
| 16 | Q | 78.8 | Confident | 86.6 | Confident | 111 Ų | 111 | 104.3 Ų | 104.3 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -104.5 | 141.5 | -178.6 | -66.8 | -179.7 | 2.7 | 0 | 0 | 110.4 | C14 L18 | C14-Q16 PolarHBondContact O-N 3.41Å; C14-Q16 VanDerWaalsContact O-N 3.16Å; Q16-L18 PolarHBondContact O-N 3.35Å |
| 17 | T | 81.4 | Confident | 86.9 | Confident | 141 Ų | 141 | 102.8 Ų | 102.8 | 87% | 0.865 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 127.3 | 171.5 | -52.6 | 0 | 0 | 0 | 0 | 109 | ||
| 18 | L | 82 | Confident | 87.3 | Confident | 56 Ų | 56 | 102.8 Ų | 102.8 | 29% | 0.293 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -78 | 140.1 | -178.8 | -62.6 | 168 | 0 | 0 | 0 | 110.6 | Q16 E24 V28 I31 | Q16-L18 PolarHBondContact O-N 3.35Å; L18-E24 HydrophobicContact CD1-CB 4.22Å; L18-V28 HydrophobicContact CD1-CG2 3.27Å; L18-V28 HydrophobicContact CD2-CB 4.48Å; L18-V28 HydrophobicContact CD2-CG2 3.49Å; L18-V28 VanDerWaalsContact CD2-CG2 3.49Å; L18-V28 HydrophobicContact CG-CG2 3.91Å; L18-I31 HydrophobicContact CD2-CD1 4.04Å |
| 19 | P | 82.7 | Confident | 87.5 | Confident | 75 Ų | 75 | 102.9 Ų | 102.9 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -64 | 154.6 | 166.1 | 27.3 | -31.1 | 0 | 0 | 0 | 110 | V21 | P19-V21 HydrophobicContact CB-CG1 4.35Å; P19-V21 HydrophobicContact CG-CG1 4Å; P19-V21 PolarHBondContact O-N 3.1Å |
| 20 | S | 84.9 | Confident | 87.7 | Confident | 132 Ų | 132 | 102.3 Ų | 102.3 | 92% | 0.923 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -65.6 | 104.6 | 175.3 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 21 | V | 88.3 | Confident | 87.7 | Confident | 53 Ų | 53 | 103.1 Ų | 103.1 | 32% | 0.321 | 52% | 0.522 | S | S | . | . | trans | -132.2 | 153.1 | -176.6 | -66.3 | 0 | 0 | 0 | 0 | 110.2 | P19 E24 C27 | P19-V21 HydrophobicContact CB-CG1 4.35Å; P19-V21 HydrophobicContact CG-CG1 4Å; P19-V21 PolarHBondContact O-N 3.1Å; V21-E24 HydrophobicContact CG2-CG 4.12Å; V21-C27 HydrophobicContact CG2-CB 3.8Å | ||
| 22 | R | 85.8 | Confident | 88.1 | Confident | 268 Ų | 268 | 96.8 Ų | 96.8 | 100% | 1.011 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -68 | -36.7 | -179.3 | -71 | -175.7 | 176.4 | 162.9 | -0.9 | 113.2 | ||
| 23 | S | 89.7 | Confident | 88.3 | Confident | 43 Ų | 43 | 96.2 Ų | 96.2 | 30% | 0.301 | 50% | 0.501 | S | S | . | . | trans | -116.7 | 87.7 | 178 | -168.4 | 0 | 0 | 0 | 0 | 109.4 | L25 E26 C27 | S23-L25 VanDerWaalsContact C-N 3.3Å; S23-L25 PolarHBondContact O-N 2.99Å; S23-E26 VanDerWaalsContact OG-CG 3.31Å; S23-E26 WeakPolarHBondContact OG-CG 3.4Å; S23-E26 PolarHBondContact OG-OE1 3.09Å; S23-C27 PolarHBondContact O-N 3.41Å | ||
| 24 | E | 91.1 | Very high | 88.6 | Confident | 119 Ų | 119 | 96.3 Ų | 96.3 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -37.8 | -179.7 | -66 | -177 | 177.8 | 0 | 0 | 111.7 | L18 V21 C27 V28 | L18-E24 HydrophobicContact CD1-CB 4.22Å; V21-E24 HydrophobicContact CG2-CG 4.12Å; E24-C27 WeakPolarHBondContact O-CB 3.5Å; E24-C27 PolarHBondContact O-N 3.33Å; E24-V28 VanDerWaalsContact O-CG2 3.28Å; E24-V28 WeakPolarHBondContact O-CG2 3.32Å; E24-V28 PolarHBondContact O-N 3.13Å |
| 25 | L | 91.3 | Very high | 89.2 | Confident | 133 Ų | 133 | 93.5 Ų | 93.5 | 70% | 0.696 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.1 | -47.8 | -179.7 | -176.6 | 61.8 | 0 | 0 | 0 | 111.8 | S23 C27 V28 T29 | S23-L25 VanDerWaalsContact C-N 3.3Å; S23-L25 PolarHBondContact O-N 2.99Å; L25-C27 VanDerWaalsContact C-N 3.27Å; L25-C27 PolarHBondContact O-N 3.08Å; L25-V28 PolarHBondContact O-N 3.43Å; L25-T29 WeakPolarHBondContact O-CB 3.5Å; L25-T29 PolarHBondContact O-N 3.04Å; L25-T29 PolarHBondContact O-OG1 3.12Å |
| 26 | E | 91.5 | Very high | 89.8 | Confident | 141 Ų | 141 | 85.8 Ų | 85.8 | 66% | 0.659 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.1 | -39.7 | 175.9 | -74.8 | 166.8 | -137.4 | 0 | 0 | 111.5 | S23 T29 N30 | S23-E26 VanDerWaalsContact OG-CG 3.31Å; S23-E26 WeakPolarHBondContact OG-CG 3.4Å; S23-E26 PolarHBondContact OG-OE1 3.09Å; E26-T29 PolarHBondContact O-N 3.43Å; E26-N30 WeakPolarHBondContact O-CB 3.27Å; E26-N30 PolarHBondContact O-N 3.49Å |
| 27 | C | 90.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 86.1 Ų | 86.1 | 18% | 0.182 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63 | -49 | 176.9 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | V21 S23 E24 L25 T29 N30 I31 | V21-C27 HydrophobicContact CG2-CB 3.8Å; S23-C27 PolarHBondContact O-N 3.41Å; E24-C27 WeakPolarHBondContact O-CB 3.5Å; E24-C27 PolarHBondContact O-N 3.33Å; L25-C27 VanDerWaalsContact C-N 3.27Å; L25-C27 PolarHBondContact O-N 3.08Å; C27-T29 PolarHBondContact O-N 3.48Å; C27-N30 PolarHBondContact O-N 2.94Å; C27-I31 WeakPolarHBondContact O-CB 3.45Å; C27-I31 VanDerWaalsContact O-CG1 3.28Å; C27-I31 WeakPolarHBondContact O-CG1 3.47Å; C27-I31 PolarHBondContact O-N 3.41Å |
| 28 | V | 92.3 | Very high | 91.3 | Very high | 43 Ų | 43 | 87.8 Ų | 87.8 | 26% | 0.261 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 176 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L18 E24 L25 N30 I31 T32 | L18-V28 HydrophobicContact CD1-CG2 3.27Å; L18-V28 HydrophobicContact CD2-CB 4.48Å; L18-V28 HydrophobicContact CD2-CG2 3.49Å; L18-V28 VanDerWaalsContact CD2-CG2 3.49Å; L18-V28 HydrophobicContact CG-CG2 3.91Å; E24-V28 VanDerWaalsContact O-CG2 3.28Å; E24-V28 WeakPolarHBondContact O-CG2 3.32Å; E24-V28 PolarHBondContact O-N 3.13Å; L25-V28 PolarHBondContact O-N 3.43Å; V28-N30 VanDerWaalsContact C-N 3.34Å; V28-N30 PolarHBondContact O-N 2.97Å; V28-I31 PolarHBondContact O-N 2.66Å; V28-T32 VanDerWaalsContact O-CB 3.24Å; V28-T32 WeakPolarHBondContact O-CB 3.37Å; V28-T32 PolarHBondContact O-N 3.45Å; V28-T32 PolarHBondContact O-OG1 2.84Å |
| 29 | T | 92.6 | Very high | 92 | Very high | 68 Ų | 68 | 87.8 Ų | 87.8 | 42% | 0.417 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | -179.1 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | L25 E26 C27 T32 L33 | L25-T29 WeakPolarHBondContact O-CB 3.5Å; L25-T29 PolarHBondContact O-N 3.04Å; L25-T29 PolarHBondContact O-OG1 3.12Å; E26-T29 PolarHBondContact O-N 3.43Å; C27-T29 PolarHBondContact O-N 3.48Å; T29-T32 PolarHBondContact O-N 2.85Å; T29-L33 HydrophobicContact CG2-CD1 4.06Å; T29-L33 HydrophobicContact CG2-CG 4.47Å; T29-L33 WeakPolarHBondContact O-CB 3.39Å; T29-L33 VanDerWaalsContact O-CG 3.3Å; T29-L33 WeakPolarHBondContact O-CG 3.47Å; T29-L33 PolarHBondContact O-N 3.48Å |
| 30 | N | 93.3 | Very high | 92.6 | Very high | 114 Ų | 114 | 88.8 Ų | 88.8 | 61% | 0.61 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.9 | -44.1 | 179.1 | -166.5 | 22.6 | 0 | 0 | 0 | 112.4 | E26 C27 V28 T32 L33 A34 | E26-N30 WeakPolarHBondContact O-CB 3.27Å; E26-N30 PolarHBondContact O-N 3.49Å; C27-N30 PolarHBondContact O-N 2.94Å; V28-N30 VanDerWaalsContact C-N 3.34Å; V28-N30 PolarHBondContact O-N 2.97Å; N30-T32 VanDerWaalsContact C-N 3.3Å; N30-T32 PolarHBondContact O-N 3.34Å; N30-L33 PolarHBondContact O-N 3.41Å; N30-A34 WeakPolarHBondContact O-CB 3.28Å; N30-A34 PolarHBondContact O-N 3.4Å |
| 31 | I | 92.3 | Very high | 93.2 | Very high | 45 Ų | 45 | 84.6 Ų | 84.6 | 23% | 0.231 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 174.4 | -70.1 | 167.5 | 0 | 0 | 0 | 110.5 | L18 C27 V28 A34 N35 | L18-I31 HydrophobicContact CD2-CD1 4.04Å; C27-I31 WeakPolarHBondContact O-CB 3.45Å; C27-I31 VanDerWaalsContact O-CG1 3.28Å; C27-I31 WeakPolarHBondContact O-CG1 3.47Å; C27-I31 PolarHBondContact O-N 3.41Å; V28-I31 PolarHBondContact O-N 2.66Å; I31-A34 PolarHBondContact O-N 3.12Å; I31-N35 WeakPolarHBondContact CG2-ND2 3.43Å; I31-N35 WeakPolarHBondContact O-CB 3.34Å; I31-N35 VanDerWaalsContact O-CG 3.25Å; I31-N35 PolarHBondContact O-N 3.13Å; I31-N35 PolarHBondContact O-ND2 3.36Å |
| 32 | T | 94.2 | Very high | 93.5 | Very high | 28 Ų | 28 | 83.1 Ų | 83.1 | 17% | 0.172 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 179.1 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | L13 C14 V28 T29 N30 N35 V36 | L13-T32 HydrophobicContact CB-CG2 4.15Å; C14-T32 WeakPolarHBondContact SG-CG2 3.33Å; C14-T32 PolarHBondContact SG-OG1 3.22Å; V28-T32 VanDerWaalsContact O-CB 3.24Å; V28-T32 WeakPolarHBondContact O-CB 3.37Å; V28-T32 PolarHBondContact O-N 3.45Å; V28-T32 PolarHBondContact O-OG1 2.84Å; T29-T32 PolarHBondContact O-N 2.85Å; N30-T32 VanDerWaalsContact C-N 3.3Å; N30-T32 PolarHBondContact O-N 3.34Å; T32-N35 PolarHBondContact O-N 3.19Å; T32-V36 WeakPolarHBondContact O-CG2 3.48Å; T32-V36 PolarHBondContact O-N 3.18Å |
| 33 | L | 96.1 | Very high | 93.9 | Very high | 100 Ų | 100 | 74.3 Ų | 74.3 | 52% | 0.524 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 177.2 | -72.1 | 172.5 | 0 | 0 | 0 | 111.8 | T29 N30 N35 V36 I37 | T29-L33 HydrophobicContact CG2-CD1 4.06Å; T29-L33 HydrophobicContact CG2-CG 4.47Å; T29-L33 WeakPolarHBondContact O-CB 3.39Å; T29-L33 VanDerWaalsContact O-CG 3.3Å; T29-L33 WeakPolarHBondContact O-CG 3.47Å; T29-L33 PolarHBondContact O-N 3.48Å; N30-L33 PolarHBondContact O-N 3.41Å; L33-N35 VanDerWaalsContact C-N 3.3Å; L33-N35 PolarHBondContact O-N 3.21Å; L33-V36 PolarHBondContact O-N 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.36Å; L33-I37 PolarHBondContact O-N 2.8Å |
| 34 | A | 95.1 | Very high | 94.3 | Very high | 43 Ų | 43 | 75.9 Ų | 75.9 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N30 I31 I37 R38 | N30-A34 WeakPolarHBondContact O-CB 3.28Å; N30-A34 PolarHBondContact O-N 3.4Å; I31-A34 PolarHBondContact O-N 3.12Å; A34-I37 PolarHBondContact O-N 3.45Å; A34-R38 WeakPolarHBondContact O-CG 3.34Å; A34-R38 PolarHBondContact O-N 2.91Å |
| 35 | N | 95.4 | Very high | 94.4 | Very high | 14 Ų | 14 | 74.2 Ų | 74.2 | 8% | 0.075 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.8 | -35.8 | 176.7 | -74.5 | -26.9 | 0 | 0 | 0 | 112.7 | P10 L13 I31 T32 L33 R38 Q39 | P10-N35 HydrophobicContact CG-CB 3.8Å; L13-N35 HydrophobicContact CB-CB 4.41Å; L13-N35 HydrophobicContact CD2-CB 3.82Å; L13-N35 PolarHBondContact O-ND2 3.07Å; I31-N35 WeakPolarHBondContact CG2-ND2 3.43Å; I31-N35 WeakPolarHBondContact O-CB 3.34Å; I31-N35 VanDerWaalsContact O-CG 3.25Å; I31-N35 PolarHBondContact O-N 3.13Å; I31-N35 PolarHBondContact O-ND2 3.36Å; T32-N35 PolarHBondContact O-N 3.19Å; L33-N35 VanDerWaalsContact C-N 3.3Å; L33-N35 PolarHBondContact O-N 3.21Å; N35-R38 PolarHBondContact O-N 2.97Å; N35-Q39 VanDerWaalsContact O-CB 3.32Å; N35-Q39 WeakPolarHBondContact O-CB 3.46Å; N35-Q39 PolarHBondContact O-N 3.23Å |
| 36 | V | 96.5 | Very high | 94.4 | Very high | 47 Ų | 47 | 69.3 Ų | 69.3 | 29% | 0.285 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 171.9 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | L13 T32 L33 R38 Q39 L40 | L13-V36 HydrophobicContact CD1-CG2 3.7Å; L13-V36 HydrophobicContact CD2-CG2 4.25Å; T32-V36 WeakPolarHBondContact O-CG2 3.48Å; T32-V36 PolarHBondContact O-N 3.18Å; L33-V36 PolarHBondContact O-N 3.28Å; V36-R38 VanDerWaalsContact C-N 3.34Å; V36-R38 PolarHBondContact O-N 3.14Å; V36-Q39 WeakPolarHBondContact O-CB 3.44Å; V36-Q39 PolarHBondContact O-N 3.22Å; V36-L40 HydrophobicContact CG1-CD1 4.25Å; V36-L40 WeakPolarHBondContact O-CG 3.46Å; V36-L40 PolarHBondContact O-N 3.04Å |
| 37 | I | 96.5 | Very high | 94.6 | Very high | 119 Ų | 119 | 64.3 Ų | 64.3 | 61% | 0.61 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | 176.9 | -66 | 165.4 | 0 | 0 | 0 | 110.7 | L33 A34 Q39 L40 G41 | L33-I37 WeakPolarHBondContact O-CG1 3.36Å; L33-I37 PolarHBondContact O-N 2.8Å; A34-I37 PolarHBondContact O-N 3.45Å; I37-Q39 VanDerWaalsContact C-N 3.31Å; I37-Q39 PolarHBondContact O-N 3.48Å; I37-L40 PolarHBondContact O-N 3.12Å; I37-G41 PolarHBondContact O-N 3.48Å |
| 38 | R | 95.9 | Very high | 94.8 | Very high | 175 Ų | 175 | 69.8 Ų | 69.8 | 66% | 0.66 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.6 | -41.3 | 174.6 | -68.4 | 173.4 | 74.7 | 118.9 | 4 | 111.8 | P10 A34 N35 V36 G41 S42 | P10-R38 HydrophobicContact CG-CB 4.48Å; A34-R38 WeakPolarHBondContact O-CG 3.34Å; A34-R38 PolarHBondContact O-N 2.91Å; N35-R38 PolarHBondContact O-N 2.97Å; V36-R38 VanDerWaalsContact C-N 3.34Å; V36-R38 PolarHBondContact O-N 3.14Å; R38-G41 PolarHBondContact O-N 3.05Å; R38-S42 PolarHBondContact O-N 2.86Å |
| 39 | Q | 95.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 69.6 Ų | 69.6 | 27% | 0.266 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 178.2 | -164 | -179.8 | 63.5 | 0 | 0 | 111.7 | I8 E9 P10 L13 N35 V36 I37 G41 S42 L43 | I8-Q39 HydrophobicContact CG2-CB 4.47Å; I8-Q39 HydrophobicContact CG2-CG 3.34Å; I8-Q39 WeakPolarHBondContact CG2-O 3.29Å; E9-Q39 WeakPolarHBondContact O-CA 3.49Å; P10-Q39 PolarHBondContact O-NE2 3.36Å; L13-Q39 HydrophobicContact CD2-CB 4.45Å; N35-Q39 VanDerWaalsContact O-CB 3.32Å; N35-Q39 WeakPolarHBondContact O-CB 3.46Å; N35-Q39 PolarHBondContact O-N 3.23Å; V36-Q39 WeakPolarHBondContact O-CB 3.44Å; V36-Q39 PolarHBondContact O-N 3.22Å; I37-Q39 VanDerWaalsContact C-N 3.31Å; I37-Q39 PolarHBondContact O-N 3.48Å; Q39-G41 VanDerWaalsContact C-N 3.32Å; Q39-S42 PolarHBondContact O-N 3.48Å; Q39-L43 WeakPolarHBondContact O-CB 3.44Å; Q39-L43 PolarHBondContact O-N 3.3Å |
| 40 | L | 96.8 | Very high | 94.8 | Very high | 96 Ų | 96 | 69.6 Ų | 69.6 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 173.1 | -69.8 | 173.4 | 0 | 0 | 0 | 112.2 | V36 I37 L43 S44 | V36-L40 HydrophobicContact CG1-CD1 4.25Å; V36-L40 WeakPolarHBondContact O-CG 3.46Å; V36-L40 PolarHBondContact O-N 3.04Å; I37-L40 PolarHBondContact O-N 3.12Å; L40-L43 HydrophobicContact CD2-CD2 4.48Å; L40-L43 PolarHBondContact O-N 3.47Å; L40-S44 WeakPolarHBondContact O-CB 3.4Å; L40-S44 PolarHBondContact O-N 3.16Å; L40-S44 PolarHBondContact O-OG 3.25Å |
| 41 | G | 96.7 | Very high | 94.9 | Very high | 43 Ų | 43 | 71 Ų | 71 | 44% | 0.443 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I37 R38 Q39 L43 S44 K45 | I37-G41 PolarHBondContact O-N 3.48Å; R38-G41 PolarHBondContact O-N 3.05Å; Q39-G41 VanDerWaalsContact C-N 3.32Å; G41-L43 PolarHBondContact O-N 3.42Å; G41-S44 WeakPolarHBondContact O-CB 3.4Å; G41-S44 PolarHBondContact O-N 3.37Å; G41-K45 PolarHBondContact O-N 2.87Å |
| 42 | S | 94.4 | Very high | 95.1 | Very high | 22 Ų | 22 | 70.4 Ų | 70.4 | 15% | 0.154 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 174.4 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | E9 R38 Q39 S44 K45 Y46 | E9-S42 PolarHBondContact N-OG 3.29Å; E9-S42 VanDerWaalsContact N-OG 3.12Å; E9-S42 WeakPolarHBondContact O-CB 3.39Å; R38-S42 PolarHBondContact O-N 2.86Å; Q39-S42 PolarHBondContact O-N 3.48Å; S42-S44 VanDerWaalsContact C-N 3.31Å; S42-S44 PolarHBondContact O-N 2.93Å; S42-K45 WeakPolarHBondContact O-CB 3.44Å; S42-K45 PolarHBondContact O-N 2.8Å; S42-Y46 WeakPolarHBondContact O-CD2 3.35Å; S42-Y46 PolarHBondContact O-N 3.38Å; S42-Y46 VanDerWaalsContact O-N 3.14Å; S42-Y46 VanDerWaalsContact OG-CE2 3.31Å; S42-Y46 WeakPolarHBondContact OG-CE2 3.39Å |
| 43 | L | 95.2 | Very high | 95.1 | Very high | 84 Ų | 84 | 72.9 Ų | 72.9 | 44% | 0.44 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 174.4 | 177.3 | 62 | 0 | 0 | 0 | 112.2 | I8 Q39 L40 G41 Y46 A47 | I8-L43 HydrophobicContact CD1-CB 4.47Å; I8-L43 HydrophobicContact CD1-CD1 3.88Å; Q39-L43 WeakPolarHBondContact O-CB 3.44Å; Q39-L43 PolarHBondContact O-N 3.3Å; L40-L43 HydrophobicContact CD2-CD2 4.48Å; L40-L43 PolarHBondContact O-N 3.47Å; G41-L43 PolarHBondContact O-N 3.42Å; L43-Y46 PolarHBondContact O-N 2.8Å; L43-A47 PolarHBondContact O-N 3.5Å |
| 44 | S | 96.6 | Very high | 95.1 | Very high | 76 Ų | 76 | 72.7 Ų | 72.7 | 53% | 0.531 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | L40 G41 S42 Y46 A47 E48 | L40-S44 WeakPolarHBondContact O-CB 3.4Å; L40-S44 PolarHBondContact O-N 3.16Å; L40-S44 PolarHBondContact O-OG 3.25Å; G41-S44 WeakPolarHBondContact O-CB 3.4Å; G41-S44 PolarHBondContact O-N 3.37Å; S42-S44 VanDerWaalsContact C-N 3.31Å; S42-S44 PolarHBondContact O-N 2.93Å; S44-Y46 VanDerWaalsContact C-N 3.31Å; S44-Y46 PolarHBondContact O-N 3.23Å; S44-A47 PolarHBondContact O-N 3.07Å; S44-E48 PolarHBondContact O-N 3.49Å |
| 45 | K | 93.3 | Very high | 95.3 | Very high | 83 Ų | 83 | 77.2 Ų | 77.2 | 36% | 0.361 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -54.7 | -48.7 | 171.7 | -176.2 | -166.5 | 174.3 | -170.2 | 0 | 110.7 | G41 S42 A47 E48 D49 E122 | G41-K45 PolarHBondContact O-N 2.87Å; S42-K45 WeakPolarHBondContact O-CB 3.44Å; S42-K45 PolarHBondContact O-N 2.8Å; K45-A47 VanDerWaalsContact C-N 3.35Å; K45-A47 PolarHBondContact O-N 2.95Å; K45-E48 WeakPolarHBondContact O-CB 3.33Å; K45-E48 PolarHBondContact O-N 2.98Å; K45-D49 PolarHBondContact O-N 3.37Å; K45-E122 VanDerWaalsContact NZ-CD 3.25Å; K45-E122 IonicContact NZ-OE1 2.97Å; K45-E122 PolarHBondContact NZ-OE1 3.14Å; K45-E122 IonicContact NZ-OE2 3.02Å; K45-E122 PolarHBondContact NZ-OE2 3.34Å |
| 46 | Y | 91.9 | Very high | 95.3 | Very high | 31 Ų | 31 | 80.8 Ų | 80.8 | 12% | 0.122 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.6 | -32 | -178.8 | -69.8 | -49.6 | 0 | 0 | 0 | 114 | R6 N7 I8 S42 L43 S44 I50 | R6-Y46 HydrophobicContact CB-CD1 3.58Å; R6-Y46 HydrophobicContact CB-CD2 4.26Å; R6-Y46 HydrophobicContact CB-CE1 3.81Å; R6-Y46 HydrophobicContact CB-CE2 4.45Å; R6-Y46 HydrophobicContact CB-CG 3.83Å; R6-Y46 HydrophobicContact CG-CD1 3.53Å; R6-Y46 HydrophobicContact CG-CE1 3.93Å; R6-Y46 HydrophobicContact CG-CG 4.13Å; N7-Y46 VanDerWaalsContact C-CE2 3.5Å; N7-Y46 PolarHBondContact N-OH 3.09Å; N7-Y46 WeakPolarHBondContact O-CE2 3.24Å; N7-Y46 PolarHBondContact O-OH 3.2Å; I8-Y46 HydrophobicContact CG1-CD2 4.35Å; S42-Y46 WeakPolarHBondContact O-CD2 3.35Å; S42-Y46 PolarHBondContact O-N 3.38Å; S42-Y46 VanDerWaalsContact O-N 3.14Å; S42-Y46 VanDerWaalsContact OG-CE2 3.31Å; S42-Y46 WeakPolarHBondContact OG-CE2 3.39Å; L43-Y46 PolarHBondContact O-N 2.8Å; S44-Y46 VanDerWaalsContact C-N 3.31Å; S44-Y46 PolarHBondContact O-N 3.23Å; Y46-I50 WeakPolarHBondContact O-CD1 3.38Å; Y46-I50 VanDerWaalsContact O-CG1 3.26Å; Y46-I50 WeakPolarHBondContact O-CG1 3.48Å; Y46-I50 PolarHBondContact O-N 2.89Å; Y46-I50 VanDerWaalsContact O-N 3.12Å |
| 47 | A | 94.8 | Very high | 95.4 | Very high | 35 Ų | 35 | 85 Ų | 85 | 29% | 0.289 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L43 S44 K45 D49 I50 F51 | L43-A47 PolarHBondContact O-N 3.5Å; S44-A47 PolarHBondContact O-N 3.07Å; K45-A47 VanDerWaalsContact C-N 3.35Å; K45-A47 PolarHBondContact O-N 2.95Å; A47-D49 PolarHBondContact O-N 3.44Å; A47-I50 PolarHBondContact O-N 3.31Å; A47-F51 HydrophobicContact CB-CD2 4.46Å; A47-F51 HydrophobicContact CB-CE2 4.4Å; A47-F51 WeakPolarHBondContact O-CD2 3.45Å; A47-F51 PolarHBondContact O-N 2.89Å |
| 48 | E | 94.6 | Very high | 95.5 | Very high | 143 Ų | 143 | 82 Ų | 82 | 67% | 0.668 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -56.8 | -47.6 | 173.9 | -176 | -175.4 | 171.6 | 0 | 0 | 111.4 | S44 K45 I50 F51 G52 | S44-E48 PolarHBondContact O-N 3.49Å; K45-E48 WeakPolarHBondContact O-CB 3.33Å; K45-E48 PolarHBondContact O-N 2.98Å; E48-I50 VanDerWaalsContact C-N 3.35Å; E48-I50 PolarHBondContact O-N 3.3Å; E48-F51 PolarHBondContact O-N 3.45Å; E48-G52 PolarHBondContact O-N 2.84Å |
| 49 | D | 92 | Very high | 95.6 | Very high | 38 Ų | 38 | 77.8 Ų | 77.8 | 20% | 0.203 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.9 | -46 | 178.3 | -67.7 | -20.8 | 0 | 0 | 0 | 111.9 | K45 A47 G52 E53 | K45-D49 PolarHBondContact O-N 3.37Å; A47-D49 PolarHBondContact O-N 3.44Å; D49-G52 PolarHBondContact O-N 3.31Å; D49-E53 WeakPolarHBondContact O-CG 3.14Å; D49-E53 PolarHBondContact O-N 3.44Å |
| 50 | I | 93.4 | Very high | 95.7 | Very high | 69 Ų | 69 | 78.9 Ų | 78.9 | 35% | 0.354 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 179.8 | -68.4 | 165.8 | 0 | 0 | 0 | 110.6 | Y46 A47 E48 G52 E53 L54 | Y46-I50 WeakPolarHBondContact O-CD1 3.38Å; Y46-I50 VanDerWaalsContact O-CG1 3.26Å; Y46-I50 WeakPolarHBondContact O-CG1 3.48Å; Y46-I50 PolarHBondContact O-N 2.89Å; Y46-I50 VanDerWaalsContact O-N 3.12Å; A47-I50 PolarHBondContact O-N 3.31Å; E48-I50 VanDerWaalsContact C-N 3.35Å; E48-I50 PolarHBondContact O-N 3.3Å; I50-G52 VanDerWaalsContact C-N 3.31Å; I50-G52 PolarHBondContact O-N 3.02Å; I50-E53 PolarHBondContact O-N 3.46Å; I50-L54 HydrophobicContact CG2-CD1 4.07Å; I50-L54 WeakPolarHBondContact O-CG 3.44Å; I50-L54 PolarHBondContact O-N 2.94Å; I50-L54 VanDerWaalsContact O-N 3.07Å |
| 51 | F | 96.6 | Very high | 95.8 | Very high | 143 Ų | 143 | 80.6 Ų | 80.6 | 63% | 0.627 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -68.3 | -32.6 | -179.6 | -70.5 | -57.7 | 0 | 0 | 0 | 112 | A47 E48 L54 F55 | A47-F51 HydrophobicContact CB-CD2 4.46Å; A47-F51 HydrophobicContact CB-CE2 4.4Å; A47-F51 WeakPolarHBondContact O-CD2 3.45Å; A47-F51 PolarHBondContact O-N 2.89Å; E48-F51 PolarHBondContact O-N 3.45Å; F51-L54 HydrophobicContact CD1-CD1 4.47Å; F51-F55 WeakPolarHBondContact O-CB 3.44Å; F51-F55 PolarHBondContact O-N 2.83Å |
| 52 | G | 95.8 | Very high | 95.9 | Very high | 33 Ų | 33 | 80.7 Ų | 80.7 | 34% | 0.34 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E48 D49 I50 F55 T56 | E48-G52 PolarHBondContact O-N 2.84Å; D49-G52 PolarHBondContact O-N 3.31Å; I50-G52 VanDerWaalsContact C-N 3.31Å; I50-G52 PolarHBondContact O-N 3.02Å; G52-F55 PolarHBondContact O-N 2.99Å; G52-T56 WeakPolarHBondContact O-CB 3.45Å; G52-T56 PolarHBondContact O-N 2.83Å; G52-T56 PolarHBondContact O-OG1 3.08Å |
| 53 | E | 94 | Very high | 96.1 | Very high | 79 Ų | 79 | 83 Ų | 83 | 37% | 0.369 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 174 | -76.5 | 172.3 | -166 | 0 | 0 | 111 | R6 D49 I50 F55 T56 Q57 | R6-E53 VanDerWaalsContact NH2-CD 3.27Å; R6-E53 IonicContact NH2-OE1 3.45Å; R6-E53 PolarHBondContact NH2-OE1 3.28Å; R6-E53 IonicContact NH2-OE2 2.67Å; R6-E53 PolarHBondContact NH2-OE2 3.26Å; D49-E53 WeakPolarHBondContact O-CG 3.14Å; D49-E53 PolarHBondContact O-N 3.44Å; I50-E53 PolarHBondContact O-N 3.46Å; E53-F55 PolarHBondContact O-N 3.21Å; E53-T56 PolarHBondContact O-N 3.29Å; E53-Q57 WeakPolarHBondContact O-CG 3.37Å; E53-Q57 PolarHBondContact O-N 3.5Å; E53-Q57 VanDerWaalsContact O-N 3.1Å |
| 54 | L | 96.8 | Very high | 96.2 | Very high | 96 Ų | 96 | 87.4 Ų | 87.4 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 178.2 | -69.8 | 174.3 | 0 | 0 | 0 | 112 | I50 F51 Q57 A58 | I50-L54 HydrophobicContact CG2-CD1 4.07Å; I50-L54 WeakPolarHBondContact O-CG 3.44Å; I50-L54 PolarHBondContact O-N 2.94Å; I50-L54 VanDerWaalsContact O-N 3.07Å; F51-L54 HydrophobicContact CD1-CD1 4.47Å; L54-Q57 PolarHBondContact O-N 3.43Å; L54-A58 VanDerWaalsContact O-CB 3.31Å; L54-A58 WeakPolarHBondContact O-CB 3.31Å; L54-A58 PolarHBondContact O-N 2.83Å |
| 55 | F | 98 | Very high | 96.3 | Very high | 139 Ų | 139 | 87 Ų | 87 | 61% | 0.61 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | 178 | 176.7 | -97.4 | 0 | 0 | 0 | 111.5 | F51 G52 E53 Q57 A58 N59 | F51-F55 WeakPolarHBondContact O-CB 3.44Å; F51-F55 PolarHBondContact O-N 2.83Å; G52-F55 PolarHBondContact O-N 2.99Å; E53-F55 PolarHBondContact O-N 3.21Å; F55-Q57 VanDerWaalsContact C-N 3.35Å; F55-Q57 PolarHBondContact O-N 3.39Å; F55-A58 PolarHBondContact O-N 3.19Å; F55-N59 WeakPolarHBondContact O-CB 3.5Å; F55-N59 PolarHBondContact O-N 2.82Å |
| 56 | T | 96.8 | Very high | 96.6 | Very high | 88 Ų | 88 | 86.4 Ų | 86.4 | 54% | 0.54 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 178.8 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | G52 E53 N59 T60 | G52-T56 WeakPolarHBondContact O-CB 3.45Å; G52-T56 PolarHBondContact O-N 2.83Å; G52-T56 PolarHBondContact O-OG1 3.08Å; E53-T56 PolarHBondContact O-N 3.29Å; T56-N59 PolarHBondContact O-N 3.26Å; T56-T60 PolarHBondContact O-N 3.17Å; T56-T60 PolarHBondContact O-OG1 3.41Å |
| 57 | Q | 97 | Very high | 96.9 | Very high | 135 Ų | 135 | 88.3 Ų | 88.3 | 63% | 0.631 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 175.8 | -70.7 | -178.3 | 0.2 | 0 | 0 | 111.8 | E53 L54 F55 N59 T60 F61 | E53-Q57 WeakPolarHBondContact O-CG 3.37Å; E53-Q57 PolarHBondContact O-N 3.5Å; E53-Q57 VanDerWaalsContact O-N 3.1Å; L54-Q57 PolarHBondContact O-N 3.43Å; F55-Q57 VanDerWaalsContact C-N 3.35Å; F55-Q57 PolarHBondContact O-N 3.39Å; Q57-N59 VanDerWaalsContact C-N 3.33Å; Q57-N59 PolarHBondContact O-N 3.28Å; Q57-T60 PolarHBondContact O-N 3.19Å; Q57-F61 PolarHBondContact O-N 3.43Å |
| 58 | A | 98.4 | Very high | 97.1 | Very high | 56 Ų | 56 | 91.6 Ų | 91.6 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L54 F55 F61 A62 | L54-A58 VanDerWaalsContact O-CB 3.31Å; L54-A58 WeakPolarHBondContact O-CB 3.31Å; L54-A58 PolarHBondContact O-N 2.83Å; F55-A58 PolarHBondContact O-N 3.19Å; A58-F61 WeakPolarHBondContact O-CB 3.28Å; A58-F61 PolarHBondContact O-N 3.29Å; A58-A62 WeakPolarHBondContact O-CB 3.33Å; A58-A62 PolarHBondContact O-N 2.85Å |
| 59 | N | 98.4 | Very high | 97.3 | Very high | 88 Ų | 88 | 87 Ų | 87 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 178.5 | -167.1 | 40.8 | 0 | 0 | 0 | 112.3 | F55 T56 Q57 F61 A62 S63 | F55-N59 WeakPolarHBondContact O-CB 3.5Å; F55-N59 PolarHBondContact O-N 2.82Å; T56-N59 PolarHBondContact O-N 3.26Å; Q57-N59 VanDerWaalsContact C-N 3.33Å; Q57-N59 PolarHBondContact O-N 3.28Å; N59-F61 VanDerWaalsContact C-N 3.33Å; N59-A62 PolarHBondContact O-N 3.49Å; N59-S63 PolarHBondContact O-N 3.45Å; N59-S63 PolarHBondContact O-OG 3.47Å |
| 60 | T | 98.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 90.2 Ų | 90.2 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 172.1 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | T56 Q57 R64 | T56-T60 PolarHBondContact O-N 3.17Å; T56-T60 PolarHBondContact O-OG1 3.41Å; Q57-T60 PolarHBondContact O-N 3.19Å; T60-R64 WeakPolarHBondContact O-CG 3.32Å; T60-R64 PolarHBondContact O-N 2.88Å |
| 61 | F | 98.4 | Very high | 97.8 | Very high | 132 Ų | 132 | 95.2 Ų | 95.2 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -46.9 | 174.8 | 176.6 | -107.6 | 0 | 0 | 0 | 112.1 | Q57 A58 N59 S63 R64 V65 | Q57-F61 PolarHBondContact O-N 3.43Å; A58-F61 WeakPolarHBondContact O-CB 3.28Å; A58-F61 PolarHBondContact O-N 3.29Å; N59-F61 VanDerWaalsContact C-N 3.33Å; F61-S63 VanDerWaalsContact C-N 3.32Å; F61-S63 PolarHBondContact O-N 2.83Å; F61-R64 WeakPolarHBondContact O-CB 3.34Å; F61-R64 PolarHBondContact O-N 3.37Å; F61-R64 VanDerWaalsContact O-N 3.09Å; F61-V65 HydrophobicContact CD1-CG2 4.11Å; F61-V65 HydrophobicContact CD2-CG2 4.17Å; F61-V65 HydrophobicContact CE1-CG2 3.67Å; F61-V65 HydrophobicContact CE2-CG2 3.72Å; F61-V65 HydrophobicContact CG-CG2 4.36Å; F61-V65 HydrophobicContact CZ-CG2 3.45Å; F61-V65 VanDerWaalsContact CZ-CG2 3.45Å; F61-V65 WeakPolarHBondContact O-CG2 3.32Å; F61-V65 PolarHBondContact O-N 3.1Å |
| 62 | A | 98.5 | Very high | 97.9 | Very high | 44 Ų | 44 | 92 Ų | 92 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.4 | -46.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A58 N59 R64 V65 S66 | A58-A62 WeakPolarHBondContact O-CB 3.33Å; A58-A62 PolarHBondContact O-N 2.85Å; N59-A62 PolarHBondContact O-N 3.49Å; A62-R64 VanDerWaalsContact C-N 3.31Å; A62-R64 PolarHBondContact O-N 2.97Å; A62-V65 PolarHBondContact O-N 3.35Å; A62-V65 VanDerWaalsContact O-N 3.14Å; A62-S66 PolarHBondContact O-N 3.29Å; A62-S66 PolarHBondContact O-OG 2.9Å |
| 63 | S | 98.6 | Very high | 98 | Very high | 71 Ų | 71 | 95.5 Ų | 95.5 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 176.6 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | N59 F61 S67 | N59-S63 PolarHBondContact O-N 3.45Å; N59-S63 PolarHBondContact O-OG 3.47Å; F61-S63 VanDerWaalsContact C-N 3.32Å; F61-S63 PolarHBondContact O-N 2.83Å; S63-S67 WeakPolarHBondContact O-CB 3.37Å; S63-S67 PolarHBondContact O-N 3.33Å; S63-S67 VanDerWaalsContact O-N 3.07Å |
| 64 | R | 98.5 | Very high | 98.2 | Very high | 177 Ų | 177 | 98 Ų | 98 | 67% | 0.668 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 176.2 | -70.6 | 171.1 | 62.3 | -166.6 | -1.1 | 112.1 | T60 F61 A62 L68 | T60-R64 WeakPolarHBondContact O-CG 3.32Å; T60-R64 PolarHBondContact O-N 2.88Å; F61-R64 WeakPolarHBondContact O-CB 3.34Å; F61-R64 PolarHBondContact O-N 3.37Å; F61-R64 VanDerWaalsContact O-N 3.09Å; A62-R64 VanDerWaalsContact C-N 3.31Å; A62-R64 PolarHBondContact O-N 2.97Å; R64-L68 VanDerWaalsContact O-CB 3.29Å; R64-L68 WeakPolarHBondContact O-CB 3.07Å; R64-L68 PolarHBondContact O-N 3.12Å |
| 65 | V | 98.7 | Very high | 98.3 | Very high | 66 Ų | 66 | 98.3 Ų | 98.3 | 40% | 0.4 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 177.5 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | F61 A62 S67 L68 A69 | F61-V65 HydrophobicContact CD1-CG2 4.11Å; F61-V65 HydrophobicContact CD2-CG2 4.17Å; F61-V65 HydrophobicContact CE1-CG2 3.67Å; F61-V65 HydrophobicContact CE2-CG2 3.72Å; F61-V65 HydrophobicContact CG-CG2 4.36Å; F61-V65 HydrophobicContact CZ-CG2 3.45Å; F61-V65 VanDerWaalsContact CZ-CG2 3.45Å; F61-V65 WeakPolarHBondContact O-CG2 3.32Å; F61-V65 PolarHBondContact O-N 3.1Å; A62-V65 PolarHBondContact O-N 3.35Å; A62-V65 VanDerWaalsContact O-N 3.14Å; V65-S67 PolarHBondContact O-N 2.77Å; V65-L68 PolarHBondContact O-N 3.4Å; V65-A69 WeakPolarHBondContact O-CB 3.39Å; V65-A69 PolarHBondContact O-N 3.47Å |
| 66 | S | 98.5 | Very high | 98.3 | Very high | 71 Ų | 71 | 97.2 Ų | 97.2 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 176.3 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | A62 L68 A69 E70 | A62-S66 PolarHBondContact O-N 3.29Å; A62-S66 PolarHBondContact O-OG 2.9Å; S66-L68 VanDerWaalsContact C-N 3.3Å; S66-L68 PolarHBondContact O-N 3.38Å; S66-A69 PolarHBondContact O-N 3.47Å; S66-E70 PolarHBondContact O-N 3.31Å; S66-E70 VanDerWaalsContact O-N 3.12Å |
| 67 | S | 98.6 | Very high | 98.3 | Very high | 72 Ų | 72 | 96.6 Ų | 96.6 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 176.8 | -175 | 0 | 0 | 0 | 0 | 112.6 | S63 V65 R71 | S63-S67 WeakPolarHBondContact O-CB 3.37Å; S63-S67 PolarHBondContact O-N 3.33Å; S63-S67 VanDerWaalsContact O-N 3.07Å; V65-S67 PolarHBondContact O-N 2.77Å; S67-R71 WeakPolarHBondContact O-CB 3.43Å; S67-R71 PolarHBondContact O-N 3.3Å |
| 68 | L | 98.6 | Very high | 98.3 | Very high | 103 Ų | 103 | 97 Ų | 97 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 176.6 | -178.8 | 60.8 | 0 | 0 | 0 | 111.8 | R64 V65 S66 R71 V72 | R64-L68 VanDerWaalsContact O-CB 3.29Å; R64-L68 WeakPolarHBondContact O-CB 3.07Å; R64-L68 PolarHBondContact O-N 3.12Å; V65-L68 PolarHBondContact O-N 3.4Å; S66-L68 VanDerWaalsContact C-N 3.3Å; S66-L68 PolarHBondContact O-N 3.38Å; L68-R71 WeakPolarHBondContact O-CB 3.34Å; L68-R71 PolarHBondContact O-N 2.9Å; L68-R71 VanDerWaalsContact O-N 3.14Å; L68-V72 HydrophobicContact CD1-CG2 4.27Å; L68-V72 HydrophobicContact CG-CG2 4.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.39Å; L68-V72 PolarHBondContact O-N 3.31Å |
| 69 | A | 98.5 | Very high | 98.2 | Very high | 46 Ų | 46 | 98 Ų | 98 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.3 | -51.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V65 S66 R71 V72 D73 | V65-A69 WeakPolarHBondContact O-CB 3.39Å; V65-A69 PolarHBondContact O-N 3.47Å; S66-A69 PolarHBondContact O-N 3.47Å; A69-R71 PolarHBondContact O-N 3.09Å; A69-V72 WeakPolarHBondContact O-CB 3.4Å; A69-V72 PolarHBondContact O-N 3.06Å; A69-D73 PolarHBondContact O-N 3.13Å |
| 70 | E | 98.5 | Very high | 98 | Very high | 107 Ų | 107 | 98.4 Ų | 98.4 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.1 | -35.9 | 176.8 | -64.6 | -179.5 | -171 | 0 | 0 | 112.7 | S66 D73 R74 | S66-E70 PolarHBondContact O-N 3.31Å; S66-E70 VanDerWaalsContact O-N 3.12Å; E70-D73 PolarHBondContact O-N 3.33Å; E70-R74 WeakPolarHBondContact O-CG 3.43Å; E70-R74 PolarHBondContact O-N 3.12Å; E70-R74 IonicContact OE2-NH1 3.07Å; E70-R74 PolarHBondContact OE2-NH1 3.46Å; E70-R74 VanDerWaalsContact OE2-NH1 3.07Å |
| 71 | R | 98.5 | Very high | 97.8 | Very high | 174 Ų | 174 | 101.6 Ų | 101.6 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.3 | -38.3 | 177.6 | -175.8 | 178.4 | 169.7 | -169.9 | -3.8 | 111.3 | S67 L68 A69 L75 | S67-R71 WeakPolarHBondContact O-CB 3.43Å; S67-R71 PolarHBondContact O-N 3.3Å; L68-R71 WeakPolarHBondContact O-CB 3.34Å; L68-R71 PolarHBondContact O-N 2.9Å; L68-R71 VanDerWaalsContact O-N 3.14Å; A69-R71 PolarHBondContact O-N 3.09Å; R71-L75 VanDerWaalsContact O-CB 3.28Å; R71-L75 WeakPolarHBondContact O-CB 3.3Å; R71-L75 PolarHBondContact O-N 3.25Å |
| 72 | V | 98.6 | Very high | 97.5 | Very high | 76 Ų | 76 | 100.2 Ų | 100.2 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 174.4 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | L68 A69 R74 L75 Q76 | L68-V72 HydrophobicContact CD1-CG2 4.27Å; L68-V72 HydrophobicContact CG-CG2 4.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.39Å; L68-V72 PolarHBondContact O-N 3.31Å; A69-V72 WeakPolarHBondContact O-CB 3.4Å; A69-V72 PolarHBondContact O-N 3.06Å; V72-R74 PolarHBondContact O-N 3.27Å; V72-L75 CarbonylContact O-C 3.59Å; V72-L75 WeakPolarHBondContact O-CB 3.19Å; V72-L75 PolarHBondContact O-N 3.18Å; V72-L75 VanDerWaalsContact O-N 3.12Å; V72-Q76 WeakPolarHBondContact O-CB 3.36Å; V72-Q76 PolarHBondContact O-N 3.37Å |
| 73 | D | 98.4 | Very high | 97.2 | Very high | 106 Ų | 106 | 101.7 Ų | 101.7 | 57% | 0.567 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.8 | -46.8 | 178.5 | -66.9 | -24.2 | 0 | 0 | 0 | 111.8 | A69 E70 L75 Q76 V77 | A69-D73 PolarHBondContact O-N 3.13Å; E70-D73 PolarHBondContact O-N 3.33Å; D73-L75 VanDerWaalsContact C-N 3.29Å; D73-L75 PolarHBondContact O-N 3.32Å; D73-Q76 WeakPolarHBondContact O-CB 3.23Å; D73-Q76 PolarHBondContact O-N 3.14Å; D73-V77 WeakPolarHBondContact O-CG2 3.39Å; D73-V77 PolarHBondContact O-N 3.49Å; D73-V77 VanDerWaalsContact O-N 3.13Å |
| 74 | R | 98.1 | Very high | 96.5 | Very high | 131 Ų | 131 | 103.7 Ų | 103.7 | 49% | 0.494 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 175.3 | -70.4 | -173.8 | -62.1 | -98.9 | -0.6 | 112.2 | E70 V72 K78 | E70-R74 WeakPolarHBondContact O-CG 3.43Å; E70-R74 PolarHBondContact O-N 3.12Å; E70-R74 IonicContact OE2-NH1 3.07Å; E70-R74 PolarHBondContact OE2-NH1 3.46Å; E70-R74 VanDerWaalsContact OE2-NH1 3.07Å; V72-R74 PolarHBondContact O-N 3.27Å; R74-K78 WeakPolarHBondContact O-CG 3.37Å; R74-K78 PolarHBondContact O-N 3.4Å |
| 75 | L | 98.1 | Very high | 95.9 | Very high | 102 Ų | 102 | 104.8 Ų | 104.8 | 53% | 0.534 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.9 | -41.2 | 177.2 | -177.9 | 62 | 0 | 0 | 0 | 111.1 | R71 V72 D73 V77 K78 V79 | R71-L75 VanDerWaalsContact O-CB 3.28Å; R71-L75 WeakPolarHBondContact O-CB 3.3Å; R71-L75 PolarHBondContact O-N 3.25Å; V72-L75 CarbonylContact O-C 3.59Å; V72-L75 WeakPolarHBondContact O-CB 3.19Å; V72-L75 PolarHBondContact O-N 3.18Å; V72-L75 VanDerWaalsContact O-N 3.12Å; D73-L75 VanDerWaalsContact C-N 3.29Å; D73-L75 PolarHBondContact O-N 3.32Å; L75-V77 VanDerWaalsContact C-N 3.33Å; L75-V77 PolarHBondContact O-N 2.94Å; L75-K78 PolarHBondContact O-N 2.77Å; L75-K78 VanDerWaalsContact O-N 3.12Å; L75-V79 HydrophobicContact CD1-CG2 4.06Å; L75-V79 HydrophobicContact CG-CG2 4.19Å; L75-V79 WeakPolarHBondContact O-CG2 3.49Å; L75-V79 PolarHBondContact O-N 3.48Å |
| 76 | Q | 98.1 | Very high | 95.1 | Very high | 116 Ų | 116 | 109.1 Ų | 109.1 | 54% | 0.542 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.1 | -45.7 | 177.4 | -176.6 | 64 | 19.7 | 0 | 0 | 111.4 | V72 D73 K78 V79 T80 | V72-Q76 WeakPolarHBondContact O-CB 3.36Å; V72-Q76 PolarHBondContact O-N 3.37Å; D73-Q76 WeakPolarHBondContact O-CB 3.23Å; D73-Q76 PolarHBondContact O-N 3.14Å; Q76-K78 VanDerWaalsContact C-N 3.35Å; Q76-K78 PolarHBondContact O-N 3.33Å; Q76-V79 PolarHBondContact O-N 3.44Å; Q76-T80 WeakPolarHBondContact O-CG2 3.33Å; Q76-T80 PolarHBondContact O-N 2.94Å; Q76-T80 PolarHBondContact O-OG1 3.31Å |
| 77 | V | 97.5 | Very high | 94.3 | Very high | 76 Ų | 76 | 111.8 Ų | 111.8 | 46% | 0.461 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.1 | -43.4 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | D73 L75 T80 Q81 | D73-V77 WeakPolarHBondContact O-CG2 3.39Å; D73-V77 PolarHBondContact O-N 3.49Å; D73-V77 VanDerWaalsContact O-N 3.13Å; L75-V77 VanDerWaalsContact C-N 3.33Å; L75-V77 PolarHBondContact O-N 2.94Å; V77-T80 WeakPolarHBondContact CA-OG1 3.4Å; V77-T80 PolarHBondContact O-N 3.48Å; V77-T80 PolarHBondContact O-OG1 3.39Å; V77-Q81 VanDerWaalsContact O-CG 3.3Å; V77-Q81 WeakPolarHBondContact O-CG 3.44Å; V77-Q81 PolarHBondContact O-N 3.31Å |
| 78 | K | 96.1 | Very high | 93.5 | Very high | 143 Ų | 143 | 117 Ų | 117 | 62% | 0.622 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.5 | -43.5 | 178.9 | -73.6 | -179.6 | 178.9 | -171.1 | 0 | 112.6 | R74 L75 Q76 T80 Q81 L82 | R74-K78 WeakPolarHBondContact O-CG 3.37Å; R74-K78 PolarHBondContact O-N 3.4Å; L75-K78 PolarHBondContact O-N 2.77Å; L75-K78 VanDerWaalsContact O-N 3.12Å; Q76-K78 VanDerWaalsContact C-N 3.35Å; Q76-K78 PolarHBondContact O-N 3.33Å; K78-T80 VanDerWaalsContact C-N 3.33Å; K78-T80 PolarHBondContact O-N 3.34Å; K78-Q81 PolarHBondContact O-N 2.96Å; K78-L82 WeakPolarHBondContact O-CG 3.47Å; K78-L82 PolarHBondContact O-N 3.42Å |
| 79 | V | 96.6 | Very high | 92.5 | Very high | 78 Ų | 78 | 118.5 Ų | 118.5 | 47% | 0.473 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.3 | -38.2 | -179.7 | 171 | 0 | 0 | 0 | 0 | 111.2 | L75 Q76 Q81 L82 | L75-V79 HydrophobicContact CD1-CG2 4.06Å; L75-V79 HydrophobicContact CG-CG2 4.19Å; L75-V79 WeakPolarHBondContact O-CG2 3.49Å; L75-V79 PolarHBondContact O-N 3.48Å; Q76-V79 PolarHBondContact O-N 3.44Å; V79-Q81 VanDerWaalsContact C-N 3.29Å; V79-Q81 PolarHBondContact O-N 3.07Å; V79-L82 PolarHBondContact O-N 2.98Å |
| 80 | T | 94.9 | Very high | 91.5 | Very high | 95 Ų | 95 | 120.1 Ų | 120.1 | 58% | 0.583 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72 | -21.4 | 177.8 | 48.5 | 0 | 0 | 0 | 0 | 113.8 | Q76 V77 K78 | Q76-T80 WeakPolarHBondContact O-CG2 3.33Å; Q76-T80 PolarHBondContact O-N 2.94Å; Q76-T80 PolarHBondContact O-OG1 3.31Å; V77-T80 WeakPolarHBondContact CA-OG1 3.4Å; V77-T80 PolarHBondContact O-N 3.48Å; V77-T80 PolarHBondContact O-OG1 3.39Å; K78-T80 VanDerWaalsContact C-N 3.33Å; K78-T80 PolarHBondContact O-N 3.34Å |
| 81 | Q | 93.6 | Very high | 90.5 | Very high | 148 Ų | 148 | 121.4 Ų | 121.4 | 69% | 0.692 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -5.2 | 175.2 | -71.1 | 176.6 | 16.7 | 0 | 0 | 113.7 | V77 K78 V79 D83 | V77-Q81 VanDerWaalsContact O-CG 3.3Å; V77-Q81 WeakPolarHBondContact O-CG 3.44Å; V77-Q81 PolarHBondContact O-N 3.31Å; K78-Q81 PolarHBondContact O-N 2.96Å; V79-Q81 VanDerWaalsContact C-N 3.29Å; V79-Q81 PolarHBondContact O-N 3.07Å; Q81-D83 PolarHBondContact O-N 3.46Å |
| 82 | L | 92.6 | Very high | 89.5 | Confident | 103 Ų | 103 | 120.1 Ų | 120.1 | 54% | 0.539 | 61% | 0.614 | S | S | . | * | trans | -69.5 | 123.2 | 177.8 | -67.6 | 173.3 | 0 | 0 | 0 | 110.1 | K78 V79 P84 | K78-L82 WeakPolarHBondContact O-CG 3.47Å; K78-L82 PolarHBondContact O-N 3.42Å; V79-L82 PolarHBondContact O-N 2.98Å; L82-P84 WeakPolarHBondContact O-CD 3.48Å | ||
| 83 | D | 91 | Very high | 88.3 | Confident | 75 Ų | 75 | 117.2 Ų | 117.2 | 40% | 0.401 | 60% | 0.6 | S | S | . | * | trans | -100.6 | 110.7 | 169.6 | -172.9 | -8.8 | 0 | 0 | 0 | 110 | Q81 K85 E86 E87 | Q81-D83 PolarHBondContact O-N 3.46Å; D83-K85 PolarHBondContact O-N 3.43Å; D83-K85 VanDerWaalsContact O-N 3.09Å; D83-K85 WeakPolarHBondContact OD1-CB 3.26Å; D83-K85 PolarHBondContact OD1-N 3.07Å; D83-E86 HydrophobicContact CB-CB 4.12Å; D83-E86 PolarHBondContact O-N 2.75Å; D83-E86 VanDerWaalsContact O-N 3.11Å; D83-E87 PolarHBondContact O-N 2.72Å; D83-E87 VanDerWaalsContact O-N 3.1Å | ||
| 84 | P | 84.4 | Confident | 87.3 | Confident | 113 Ų | 113 | 118.4 Ų | 118.4 | 73% | 0.734 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -18.5 | 178 | -21.9 | 32.5 | 0 | 0 | 0 | 114.5 | L82 | L82-P84 WeakPolarHBondContact O-CD 3.48Š|
| 85 | K | 85.3 | Confident | 86.5 | Confident | 199 Ų | 199 | 119.7 Ų | 119.7 | 87% | 0.865 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -22.7 | 178.7 | -64.7 | -178.4 | 179.5 | 176.6 | 0 | 113 | D83 | D83-K85 PolarHBondContact O-N 3.43Å; D83-K85 VanDerWaalsContact O-N 3.09Å; D83-K85 WeakPolarHBondContact OD1-CB 3.26Å; D83-K85 PolarHBondContact OD1-N 3.07Å |
| 86 | E | 83.3 | Confident | 85.8 | Confident | 157 Ų | 157 | 119.7 Ų | 119.7 | 73% | 0.734 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -21.9 | 178.7 | -166.6 | 177.3 | 179.1 | 0 | 0 | 111.9 | D83 E88 | D83-E86 HydrophobicContact CB-CB 4.12Å; D83-E86 PolarHBondContact O-N 2.75Å; D83-E86 VanDerWaalsContact O-N 3.11Å; E86-E88 PolarHBondContact O-N 2.94Å |
| 87 | E | 80.8 | Confident | 85.3 | Confident | 128 Ų | 128 | 123.4 Ų | 123.4 | 60% | 0.598 | 64% | 0.635 | S | S | * | * | trans | -73.2 | 93.5 | -178.3 | -168.6 | 173 | 177.5 | 0 | 0 | 112.8 | D83 | D83-E87 PolarHBondContact O-N 2.72Å; D83-E87 VanDerWaalsContact O-N 3.1Å | ||
| 88 | E | 82.2 | Confident | 84.9 | Confident | 182 Ų | 182 | 129.6 Ų | 129.6 | 85% | 0.85 | 66% | 0.656 | S | S | * | * | trans | -78.1 | 125.8 | 173.4 | -66.2 | -172.6 | 174 | 0 | 0 | 112.4 | E86 S90 | E86-E88 PolarHBondContact O-N 2.94Å; E88-S90 PolarHBondContact O-N 3.01Å; E88-S90 VanDerWaalsContact O-N 3.08Å | ||
| 89 | V | 77.8 | Confident | 84.7 | Confident | 134 Ų | 134 | 126 Ų | 126 | 81% | 0.812 | 65% | 0.652 | S | S | * | * | trans | -76.7 | 98 | 176.9 | -177 | 0 | 0 | 0 | 0 | 110.3 | L91 | V89-L91 PolarHBondContact O-N 2.77Š| ||
| 90 | S | 77.9 | Confident | 84.6 | Confident | 79 Ų | 79 | 130.9 Ų | 130.9 | 55% | 0.552 | 67% | 0.667 | S | S | * | * | trans | -78 | 115.1 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | E88 Q92 G93 | E88-S90 PolarHBondContact O-N 3.01Å; E88-S90 VanDerWaalsContact O-N 3.08Å; S90-Q92 PolarHBondContact O-N 2.99Å; S90-Q92 WeakPolarHBondContact OG-CB 3.48Å; S90-Q92 PolarHBondContact OG-N 2.9Å; S90-G93 PolarHBondContact O-N 3.35Å | ||
| 91 | L | 77.1 | Confident | 84.6 | Confident | 134 Ų | 134 | 135.6 Ų | 135.6 | 70% | 0.702 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -19 | 171.8 | -62.5 | 177 | 0 | 0 | 0 | 112.9 | V89 G93 I94 | V89-L91 PolarHBondContact O-N 2.77Å; L91-G93 PolarHBondContact O-N 2.67Å; L91-I94 HydrophobicContact CD2-CD1 3.71Å; L91-I94 PolarHBondContact O-N 2.84Å |
| 92 | Q | 76.9 | Confident | 84.6 | Confident | 147 Ų | 147 | 132.4 Ų | 132.4 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -58.2 | -33.4 | 177 | -155.3 | 90.7 | 2.1 | 0 | 0 | 111.3 | S90 I94 T96 | S90-Q92 PolarHBondContact O-N 2.99Å; S90-Q92 WeakPolarHBondContact OG-CB 3.48Å; S90-Q92 PolarHBondContact OG-N 2.9Å; Q92-I94 VanDerWaalsContact C-N 3.27Å; Q92-I94 PolarHBondContact O-N 3.1Å; Q92-T96 HydrophobicContact CG-CG2 4.5Å; Q92-T96 WeakPolarHBondContact O-CB 3.49Å; Q92-T96 WeakPolarHBondContact O-CG2 3.41Å; Q92-T96 PolarHBondContact O-N 2.95Å; Q92-T96 PolarHBondContact O-OG1 3.39Å |
| 93 | G | 73.3 | Confident | 84.7 | Confident | 15 Ų | 15 | 132.1 Ų | 132.1 | 16% | 0.155 | 68% | 0.675 | C | S | . | * | H | α-helix | trans | -66.8 | -24.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S90 L91 N95 R97 | S90-G93 PolarHBondContact O-N 3.35Å; L91-G93 PolarHBondContact O-N 2.67Å; G93-N95 PolarHBondContact O-N 3.12Å; G93-R97 VanDerWaalsContact O-CB 3.27Å; G93-R97 WeakPolarHBondContact O-CB 3.22Å; G93-R97 PolarHBondContact O-N 3.28Å |
| 94 | I | 77.6 | Confident | 84.9 | Confident | 131 Ų | 131 | 133.9 Ų | 133.9 | 67% | 0.672 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -67 | -37.9 | -174.3 | -60.9 | 173.9 | 0 | 0 | 0 | 111.6 | L91 Q92 | L91-I94 HydrophobicContact CD2-CD1 3.71Å; L91-I94 PolarHBondContact O-N 2.84Å; Q92-I94 VanDerWaalsContact C-N 3.27Å; Q92-I94 PolarHBondContact O-N 3.1Å |
| 95 | N | 82.4 | Confident | 85.3 | Confident | 159 Ų | 159 | 135.3 Ų | 135.3 | 85% | 0.85 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -101.1 | -18.7 | -178.4 | -148 | -6.6 | 0 | 0 | 0 | 112.9 | G93 | G93-N95 PolarHBondContact O-N 3.12Å |
| 96 | T | 83.2 | Confident | 85.6 | Confident | 101 Ų | 101 | 130.4 Ų | 130.4 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -98.6 | -24.6 | -177.3 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | Q92 | Q92-T96 HydrophobicContact CG-CG2 4.5Å; Q92-T96 WeakPolarHBondContact O-CB 3.49Å; Q92-T96 WeakPolarHBondContact O-CG2 3.41Å; Q92-T96 PolarHBondContact O-N 2.95Å; Q92-T96 PolarHBondContact O-OG1 3.39Å |
| 97 | R | 86.1 | Confident | 86 | Confident | 195 Ų | 195 | 129.7 Ų | 129.7 | 74% | 0.736 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -103.3 | 137 | 179.8 | -58.6 | -178.6 | -175.3 | 177.3 | 2.2 | 110.3 | G93 A99 | G93-R97 VanDerWaalsContact O-CB 3.27Å; G93-R97 WeakPolarHBondContact O-CB 3.22Å; G93-R97 PolarHBondContact O-N 3.28Å; R97-A99 PolarHBondContact O-N 3.4Å |
| 98 | K | 90.9 | Very high | 86.5 | Confident | 206 Ų | 206 | 128.7 Ų | 128.7 | 90% | 0.896 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 135.5 | 168.7 | -66.2 | -178.1 | -179 | 178.7 | 0 | 108.9 | ||
| 99 | A | 90.6 | Very high | 86.8 | Confident | 66 Ų | 66 | 125.6 Ų | 125.6 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 149.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | R97 | R97-A99 PolarHBondContact O-N 3.4Š|
| 100 | F | 94 | Very high | 87.4 | Confident | 181 Ų | 181 | 124.8 Ų | 124.8 | 79% | 0.794 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 143.4 | 173.7 | 174.2 | -101.9 | 0 | 0 | 0 | 111.2 | ||
| 101 | R | 95.3 | Very high | 88 | Confident | 194 Ų | 194 | 130.3 Ų | 130.3 | 73% | 0.732 | 65% | 0.654 | S | S | * | * | trans | -133.3 | 128.4 | 174.7 | -65.6 | -66.4 | -179.7 | -105.8 | 6.5 | 108.6 | ||||
| 102 | S | 94.9 | Very high | 88.7 | Confident | 81 Ų | 81 | 127.5 Ų | 127.5 | 57% | 0.566 | 64% | 0.64 | S | S | * | * | trans | -73.6 | 162.2 | 169.4 | 53.4 | 0 | 0 | 0 | 0 | 110.6 | T104 | S102-T104 PolarHBondContact O-N 3.09Š| ||
| 103 | S | 94.4 | Very high | 89.4 | Confident | 97 Ų | 97 | 127.8 Ų | 127.8 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | trans | -61.5 | 136.3 | 170.7 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 104 | T | 93.8 | Very high | 90.3 | Very high | 112 Ų | 112 | 133.8 Ų | 133.8 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | trans | -124.5 | 23 | 175.9 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | S102 | S102-T104 PolarHBondContact O-N 3.09Š| ||
| 105 | I | 93.6 | Very high | 90.9 | Very high | 143 Ų | 143 | 130.3 Ų | 130.3 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | trans | -63.6 | 135.4 | 177.3 | -60.8 | 169.8 | 0 | 0 | 0 | 108.7 | ||||
| 106 | Q | 91.9 | Very high | 91.3 | Very high | 97 Ų | 97 | 125.3 Ų | 125.3 | 45% | 0.453 | 62% | 0.624 | S | S | . | * | trans | -130.9 | 126.9 | 177.2 | -68.9 | 179.3 | -7.8 | 0 | 0 | 109 | Q108 N467 | Q106-Q108 PolarHBondContact O-N 3.08Å; Q106-N467 PolarHBondContact NE2-ND2 3.03Å; Q106-N467 PolarHBondContact OE1-ND2 3.18Å | ||
| 107 | D | 91.4 | Very high | 91.6 | Very high | 142 Ų | 142 | 123.4 Ų | 123.4 | 76% | 0.759 | 61% | 0.613 | S | S | * | * | trans | -72.6 | 128.6 | 177.3 | -61.6 | -26.5 | 0 | 0 | 0 | 109.5 | L110 | D107-L110 HydrophobicContact CB-CD2 4.37Š| ||
| 108 | Q | 90.7 | Very high | 91.7 | Very high | 107 Ų | 107 | 118.2 Ų | 118.2 | 50% | 0.5 | 60% | 0.603 | S | S | . | * | trans | -136.1 | 168.5 | -179.7 | -60.9 | -176.2 | 29.4 | 0 | 0 | 108.6 | Q106 L110 | Q106-Q108 PolarHBondContact O-N 3.08Å; Q108-L110 VanDerWaalsContact C-N 3.29Å; Q108-L110 PolarHBondContact O-N 3.17Å | ||
| 109 | K | 88.9 | Confident | 91.6 | Very high | 117 Ų | 117 | 108.5 Ų | 108.5 | 51% | 0.509 | 56% | 0.561 | S | S | . | * | trans | 55.4 | 44 | 177.8 | -58.5 | -68.8 | -172.9 | 177.1 | 0 | 113 | F111 D112 | K109-F111 PolarHBondContact O-N 2.98Å; K109-D112 WeakPolarHBondContact CB-OD2 3.37Å; K109-D112 PolarHBondContact O-N 3.23Å | ||
| 110 | L | 90.4 | Very high | 91.5 | Very high | 116 Ų | 116 | 106.2 Ų | 106.2 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.3 | -175.6 | -66.3 | 160.9 | 0 | 0 | 0 | 114.6 | D107 Q108 S115 | D107-L110 HydrophobicContact CB-CD2 4.37Å; Q108-L110 VanDerWaalsContact C-N 3.29Å; Q108-L110 PolarHBondContact O-N 3.17Å; L110-S115 WeakPolarHBondContact O-CB 3.37Å; L110-S115 PolarHBondContact O-OG 3.47Å |
| 111 | F | 90.9 | Very high | 91.4 | Very high | 196 Ų | 196 | 100.8 Ų | 100.8 | 86% | 0.86 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 30 | -175.1 | -58.4 | -75.3 | 0 | 0 | 0 | 112.9 | K109 | K109-F111 PolarHBondContact O-N 2.98Š|
| 112 | D | 91.9 | Very high | 91.1 | Very high | 74 Ų | 74 | 95.2 Ų | 95.2 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -69.8 | 162.5 | 172.4 | -77.9 | -7.2 | 0 | 0 | 0 | 111.5 | K109 N114 S115 | K109-D112 WeakPolarHBondContact CB-OD2 3.37Å; K109-D112 PolarHBondContact O-N 3.23Å; D112-N114 WeakPolarHBondContact CB-OD1 3.46Å; D112-N114 PolarHBondContact O-N 3.03Å; D112-N114 VanDerWaalsContact O-N 3.12Å; D112-S115 PolarHBondContact N-OG 3.43Å; D112-S115 PolarHBondContact O-N 2.97Å; D112-S115 VanDerWaalsContact O-N 3.1Å; D112-S115 PolarHBondContact O-OG 3.02Å |
| 113 | R | 91.6 | Very high | 90.8 | Very high | 154 Ų | 154 | 94.3 Ų | 94.3 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -60.3 | -28.2 | -176.8 | -172.3 | 63.5 | 69.6 | 99.2 | 2.3 | 113 | L116 Y124 | R113-L116 VanDerWaalsContact O-CB 3.3Å; R113-L116 WeakPolarHBondContact O-CB 3.44Å; R113-Y124 PolarHBondContact NH1-OH 2.7Å; R113-Y124 VanDerWaalsContact NH1-OH 3.09Å; R113-Y124 PolarHBondContact NH2-OH 3.14Å |
| 114 | N | 91.1 | Very high | 90.7 | Very high | 141 Ų | 141 | 94.6 Ų | 94.6 | 75% | 0.754 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -77.7 | -21.1 | -180 | 61.8 | -4.6 | 0 | 0 | 0 | 113.8 | D112 L116 | D112-N114 WeakPolarHBondContact CB-OD1 3.46Å; D112-N114 PolarHBondContact O-N 3.03Å; D112-N114 VanDerWaalsContact O-N 3.12Å; N114-L116 VanDerWaalsContact C-N 3.28Å |
| 115 | S | 91.3 | Very high | 90.7 | Very high | 58 Ų | 58 | 94.6 Ų | 94.6 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -89 | 1.3 | 175.5 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | L110 D112 P117 | L110-S115 WeakPolarHBondContact O-CB 3.37Å; L110-S115 PolarHBondContact O-OG 3.47Å; D112-S115 PolarHBondContact N-OG 3.43Å; D112-S115 PolarHBondContact O-N 2.97Å; D112-S115 VanDerWaalsContact O-N 3.1Å; D112-S115 PolarHBondContact O-OG 3.02Å; S115-P117 WeakPolarHBondContact O-CD 3.48Å |
| 116 | L | 90.1 | Very high | 90.6 | Very high | 54 Ų | 54 | 93.3 Ų | 93.3 | 28% | 0.283 | 47% | 0.474 | S | S | . | . | trans | -66 | 123.1 | 179.8 | -164.2 | 69.6 | 0 | 0 | 0 | 110.2 | R113 N114 V120 L121 | R113-L116 VanDerWaalsContact O-CB 3.3Å; R113-L116 WeakPolarHBondContact O-CB 3.44Å; N114-L116 VanDerWaalsContact C-N 3.28Å; L116-V120 HydrophobicContact CD1-CB 4.12Å; L116-V120 HydrophobicContact CD1-CG1 3.64Å; L116-V120 HydrophobicContact CD2-CG1 4.32Å; L116-V120 HydrophobicContact CG-CB 4.14Å; L116-V120 HydrophobicContact CG-CG1 4.06Å; L116-L121 HydrophobicContact CD2-CB 4.03Å; L116-L121 HydrophobicContact CD2-CD1 4.12Å | ||
| 117 | P | 89.5 | Confident | 90.7 | Very high | 60 Ų | 60 | 92.1 Ų | 92.1 | 39% | 0.39 | 48% | 0.475 | S | S | . | . | trans | -60.7 | 142.2 | 177.5 | -23.6 | 33.9 | 0 | 0 | 0 | 111.5 | S115 P119 V120 L121 | S115-P117 WeakPolarHBondContact O-CD 3.48Å; P117-P119 VanDerWaalsContact C-CD 3.45Å; P117-P119 VanDerWaalsContact C-N 3.31Å; P117-V120 HydrophobicContact CB-CG2 4.27Å; P117-V120 HydrophobicContact CG-CG2 4.38Å; P117-V120 WeakPolarHBondContact O-CA 3.48Å; P117-V120 WeakPolarHBondContact O-CB 3.5Å; P117-V120 PolarHBondContact O-N 3.14Å; P117-L121 PolarHBondContact O-N 2.8Å | ||
| 118 | V | 89.1 | Confident | 90.9 | Very high | 87 Ų | 87 | 93.2 Ų | 93.2 | 53% | 0.527 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -49.7 | -45.3 | -179.2 | 176.6 | 0 | 0 | 0 | 0 | 112.6 | V120 L121 E122 | V118-V120 VanDerWaalsContact C-N 3.29Å; V118-V120 PolarHBondContact O-N 3.12Å; V118-L121 WeakPolarHBondContact O-CB 3.32Å; V118-L121 PolarHBondContact O-N 3.45Å; V118-L121 VanDerWaalsContact O-N 3.1Å; V118-E122 HydrophobicContact CG1-CG 4.44Å; V118-E122 PolarHBondContact O-N 3.04Å |
| 119 | P | 88.2 | Confident | 91.1 | Very high | 2 Ų | 2 | 94 Ų | 94 | 1% | 0.013 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -64 | -32.7 | 179.8 | -24.2 | 36.1 | 0 | 0 | 0 | 114 | T5 R6 P117 T123 | T5-P119 WeakPolarHBondContact O-CB 2.91Å; R6-P119 HydrophobicContact CG-CB 4.22Å; R6-P119 HydrophobicContact CG-CG 4.31Å; P117-P119 VanDerWaalsContact C-CD 3.45Å; P117-P119 VanDerWaalsContact C-N 3.31Å; P119-T123 PolarHBondContact O-N 2.99Å; P119-T123 PolarHBondContact O-OG1 3.28Å |
| 120 | V | 89.4 | Confident | 91.4 | Very high | 18 Ų | 18 | 90.9 Ų | 90.9 | 11% | 0.109 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -73.6 | -37.1 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | L3 T5 L116 P117 V118 T123 Y124 | L3-V120 HydrophobicContact CD1-CG1 4.26Å; T5-V120 HydrophobicContact CG2-CG2 3.78Å; L116-V120 HydrophobicContact CD1-CB 4.12Å; L116-V120 HydrophobicContact CD1-CG1 3.64Å; L116-V120 HydrophobicContact CD2-CG1 4.32Å; L116-V120 HydrophobicContact CG-CB 4.14Å; L116-V120 HydrophobicContact CG-CG1 4.06Å; P117-V120 HydrophobicContact CB-CG2 4.27Å; P117-V120 HydrophobicContact CG-CG2 4.38Å; P117-V120 WeakPolarHBondContact O-CA 3.48Å; P117-V120 WeakPolarHBondContact O-CB 3.5Å; P117-V120 PolarHBondContact O-N 3.14Å; V118-V120 VanDerWaalsContact C-N 3.29Å; V118-V120 PolarHBondContact O-N 3.12Å; V120-T123 PolarHBondContact O-N 3.26Å; V120-Y124 WeakPolarHBondContact O-CB 3.47Å; V120-Y124 PolarHBondContact O-N 3.12Å |
| 121 | L | 90.8 | Very high | 91.7 | Very high | 67 Ų | 67 | 88.2 Ų | 88.2 | 35% | 0.351 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 174.7 | 179.8 | 62.9 | 0 | 0 | 0 | 111.8 | L116 P117 V118 T123 Y124 N125 | L116-L121 HydrophobicContact CD2-CB 4.03Å; L116-L121 HydrophobicContact CD2-CD1 4.12Å; P117-L121 PolarHBondContact O-N 2.8Å; V118-L121 WeakPolarHBondContact O-CB 3.32Å; V118-L121 PolarHBondContact O-N 3.45Å; V118-L121 VanDerWaalsContact O-N 3.1Å; L121-T123 VanDerWaalsContact C-N 3.32Å; L121-T123 PolarHBondContact O-N 2.93Å; L121-Y124 HydrophobicContact CD1-CD1 4.47Å; L121-Y124 WeakPolarHBondContact O-CB 3.38Å; L121-Y124 PolarHBondContact O-N 3.32Å; L121-N125 PolarHBondContact O-N 2.97Å; L121-N125 PolarHBondContact O-ND2 2.79Å |
| 122 | E | 89.5 | Confident | 91.9 | Very high | 76 Ų | 76 | 83.4 Ų | 83.4 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56.3 | -48.4 | 173.5 | -72.1 | -173.8 | 165 | 0 | 0 | 110.7 | K45 V118 Y124 N125 T126 | K45-E122 VanDerWaalsContact NZ-CD 3.25Å; K45-E122 IonicContact NZ-OE1 2.97Å; K45-E122 PolarHBondContact NZ-OE1 3.14Å; K45-E122 IonicContact NZ-OE2 3.02Å; K45-E122 PolarHBondContact NZ-OE2 3.34Å; V118-E122 HydrophobicContact CG1-CG 4.44Å; V118-E122 PolarHBondContact O-N 3.04Å; E122-Y124 PolarHBondContact O-N 2.78Å; E122-N125 PolarHBondContact O-N 2.84Å; E122-T126 PolarHBondContact O-N 2.95Å |
| 123 | T | 89.3 | Confident | 92.1 | Very high | 62 Ų | 62 | 82.4 Ų | 82.4 | 38% | 0.38 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | P119 V120 L121 N125 T126 C127 | P119-T123 PolarHBondContact O-N 2.99Å; P119-T123 PolarHBondContact O-OG1 3.28Å; V120-T123 PolarHBondContact O-N 3.26Å; L121-T123 VanDerWaalsContact C-N 3.32Å; L121-T123 PolarHBondContact O-N 2.93Å; T123-N125 VanDerWaalsContact C-N 3.25Å; T123-N125 PolarHBondContact O-N 2.81Å; T123-T126 PolarHBondContact O-N 3.43Å; T123-T126 PolarHBondContact O-OG1 3.42Å; T123-C127 PolarHBondContact O-SG 2.92Å |
| 124 | Y | 91.5 | Very high | 92.3 | Very high | 103 Ų | 103 | 78.7 Ų | 78.7 | 40% | 0.404 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.4 | -38.8 | 177.8 | 175.8 | -96 | 0 | 0 | 0 | 112.2 | R113 V120 L121 E122 T126 C127 | R113-Y124 PolarHBondContact NH1-OH 2.7Å; R113-Y124 VanDerWaalsContact NH1-OH 3.09Å; R113-Y124 PolarHBondContact NH2-OH 3.14Å; V120-Y124 WeakPolarHBondContact O-CB 3.47Å; V120-Y124 PolarHBondContact O-N 3.12Å; L121-Y124 HydrophobicContact CD1-CD1 4.47Å; L121-Y124 WeakPolarHBondContact O-CB 3.38Å; L121-Y124 PolarHBondContact O-N 3.32Å; E122-Y124 PolarHBondContact O-N 2.78Å; Y124-T126 PolarHBondContact O-N 2.82Å; Y124-C127 WeakPolarHBondContact O-CB 3.5Å; Y124-C127 PolarHBondContact O-N 3.25Å; Y124-C127 VanDerWaalsContact O-N 3.14Å |
| 125 | N | 92.9 | Very high | 92.5 | Very high | 112 Ų | 112 | 77.5 Ų | 77.5 | 60% | 0.599 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -71 | -16.9 | 179.3 | -67 | -25.4 | 0 | 0 | 0 | 113.7 | L121 E122 T123 | L121-N125 PolarHBondContact O-N 2.97Å; L121-N125 PolarHBondContact O-ND2 2.79Å; E122-N125 PolarHBondContact O-N 2.84Å; T123-N125 VanDerWaalsContact C-N 3.25Å; T123-N125 PolarHBondContact O-N 2.81Å |
| 126 | T | 91.7 | Very high | 92.7 | Very high | 117 Ų | 117 | 79.4 Ų | 79.4 | 72% | 0.718 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -85.4 | -12.2 | 172.5 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | E122 T123 Y124 | E122-T126 PolarHBondContact O-N 2.95Å; T123-T126 PolarHBondContact O-N 3.43Å; T123-T126 PolarHBondContact O-OG1 3.42Å; Y124-T126 PolarHBondContact O-N 2.82Å |
| 127 | C | 93.6 | Very high | 92.9 | Very high | 71 Ų | 71 | 78.5 Ų | 78.5 | 48% | 0.48 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -76.7 | 156.3 | 178.6 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | T123 Y124 T129 | T123-C127 PolarHBondContact O-SG 2.92Å; Y124-C127 WeakPolarHBondContact O-CB 3.5Å; Y124-C127 PolarHBondContact O-N 3.25Å; Y124-C127 VanDerWaalsContact O-N 3.14Å; C127-T129 PolarHBondContact O-N 3.4Å |
| 128 | D | 96.4 | Very high | 93.3 | Very high | 166 Ų | 166 | 80.9 Ų | 80.9 | 89% | 0.888 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -62 | 126.3 | 175.8 | -65.5 | -35.1 | 0 | 0 | 0 | 111.1 | ||
| 129 | T | 95.4 | Very high | 93.6 | Very high | 123 Ų | 123 | 85.9 Ų | 85.9 | 76% | 0.755 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -77 | 148.8 | 174.5 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | C127 | C127-T129 PolarHBondContact O-N 3.4Š|
| 130 | P | 95.7 | Very high | 94 | Very high | 52 Ų | 52 | 89.8 Ų | 89.8 | 34% | 0.338 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 155.6 | 175.5 | 28.2 | -36 | 0 | 0 | 0 | 111.1 | L147 Y150 | P130-L147 HydrophobicContact CB-CD1 3.97Å; P130-L147 HydrophobicContact CG-CD1 4.21Å; P130-Y150 HydrophobicContact CB-CD1 4.04Å; P130-Y150 HydrophobicContact CB-CE1 3.78Å |
| 131 | P | 95.9 | Very high | 94.3 | Very high | 60 Ų | 60 | 97.3 Ų | 97.3 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 144.7 | 173.9 | -23.6 | 33.2 | 0 | 0 | 0 | 111 | L133 | P131-L133 HydrophobicContact CB-CD2 4.37Å; P131-L133 HydrophobicContact CB-CG 4.19Å; P131-L133 PolarHBondContact O-N 3.09Å |
| 132 | P | 95.2 | Very high | 94.5 | Very high | 94 Ų | 94 | 97.2 Ų | 97.2 | 61% | 0.61 | 53% | 0.525 | S | S | * | . | trans | -76.4 | 57 | -174.9 | 32.6 | -37.1 | 0 | 0 | 0 | 112.1 | N134 N135 | P132-N134 PolarHBondContact O-N 3.23Å; P132-N135 WeakPolarHBondContact O-CB 3.48Å; P132-N135 PolarHBondContact O-N 2.88Å | ||
| 133 | L | 96.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 97 Ų | 97 | 28% | 0.283 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -66 | -20.6 | -177.7 | -62.7 | 179.6 | 0 | 0 | 0 | 112.5 | P131 N135 L136 A146 L147 Y150 | P131-L133 HydrophobicContact CB-CD2 4.37Å; P131-L133 HydrophobicContact CB-CG 4.19Å; P131-L133 PolarHBondContact O-N 3.09Å; L133-N135 PolarHBondContact O-N 3.27Å; L133-N135 VanDerWaalsContact O-N 3.09Å; L133-L136 HydrophobicContact CD2-CD1 4.39Å; L133-L136 WeakPolarHBondContact O-CA 3.38Å; L133-L136 WeakPolarHBondContact O-CB 3.3Å; L133-L136 PolarHBondContact O-N 3.45Å; L133-A146 HydrophobicContact CB-CB 4.33Å; L133-A146 WeakPolarHBondContact O-CB 3.47Å; L133-L147 HydrophobicContact CB-CD1 4.46Å; L133-Y150 HydrophobicContact CD1-CD2 4.38Å; L133-Y150 HydrophobicContact CD1-CG 4.11Å |
| 134 | N | 94.7 | Very high | 94.9 | Very high | 76 Ų | 76 | 99.9 Ų | 99.9 | 41% | 0.406 | 55% | 0.55 | S | S | . | * | G | 310 helix | trans | -58 | -23.3 | 175.3 | -79.4 | -20 | 0 | 0 | 0 | 113.4 | P132 L136 T137 L147 | P132-N134 PolarHBondContact O-N 3.23Å; N134-L136 PolarHBondContact O-N 3.1Å; N134-T137 VanDerWaalsContact O-CB 3.3Å; N134-T137 WeakPolarHBondContact O-CB 3.49Å; N134-T137 PolarHBondContact O-N 2.87Å; N134-T137 VanDerWaalsContact O-N 3.14Å; N134-T137 PolarHBondContact O-OG1 2.82Å; N134-L147 WeakPolarHBondContact OD1-CB 3.5Å |
| 135 | N | 96 | Very high | 95.1 | Very high | 116 Ų | 116 | 99.9 Ų | 99.9 | 62% | 0.62 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -64.7 | -21.7 | 173.4 | -62.6 | -3.5 | 0 | 0 | 0 | 112.4 | P132 L133 | P132-N135 WeakPolarHBondContact O-CB 3.48Å; P132-N135 PolarHBondContact O-N 2.88Å; L133-N135 PolarHBondContact O-N 3.27Å; L133-N135 VanDerWaalsContact O-N 3.09Å |
| 136 | L | 95.5 | Very high | 95.2 | Very high | 97 Ų | 97 | 95 Ų | 95 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -91 | -11.2 | 177.9 | -66.3 | 89 | 0 | 0 | 0 | 112.8 | L133 N134 P138 Y139 A146 | L133-L136 HydrophobicContact CD2-CD1 4.39Å; L133-L136 WeakPolarHBondContact O-CA 3.38Å; L133-L136 WeakPolarHBondContact O-CB 3.3Å; L133-L136 PolarHBondContact O-N 3.45Å; N134-L136 PolarHBondContact O-N 3.1Å; L136-P138 VanDerWaalsContact C-CD 3.45Å; L136-Y139 PolarHBondContact O-N 3.29Å; L136-A146 HydrophobicContact CB-CB 4.37Å |
| 137 | T | 95.1 | Very high | 95.5 | Very high | 36 Ų | 36 | 91 Ų | 91 | 22% | 0.221 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -53.5 | -43 | 179.4 | -61 | 0 | 0 | 0 | 0 | 113.2 | N134 Y139 R140 A146 | N134-T137 VanDerWaalsContact O-CB 3.3Å; N134-T137 WeakPolarHBondContact O-CB 3.49Å; N134-T137 PolarHBondContact O-N 2.87Å; N134-T137 VanDerWaalsContact O-N 3.14Å; N134-T137 PolarHBondContact O-OG1 2.82Å; T137-Y139 PolarHBondContact O-N 3.34Å; T137-Y139 VanDerWaalsContact O-N 3.12Å; T137-R140 PolarHBondContact O-N 3.01Å; T137-A146 PolarHBondContact OG1-N 2.96Å |
| 138 | P | 96.8 | Very high | 95.6 | Very high | 109 Ų | 109 | 92 Ų | 92 | 71% | 0.708 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -63.3 | -17.9 | 179 | -24.1 | 35.9 | 0 | 0 | 0 | 115.1 | L136 | L136-P138 VanDerWaalsContact C-CD 3.45Š|
| 139 | Y | 95.5 | Very high | 95.6 | Very high | 192 Ų | 192 | 90 Ų | 90 | 75% | 0.753 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -97.5 | 7.9 | -178.2 | -54.5 | -82.2 | 0 | 0 | 0 | 112.8 | L136 T137 | L136-Y139 PolarHBondContact O-N 3.29Å; T137-Y139 PolarHBondContact O-N 3.34Å; T137-Y139 VanDerWaalsContact O-N 3.12Å |
| 140 | R | 96 | Very high | 95.6 | Very high | 84 Ų | 84 | 91.1 Ų | 91.1 | 32% | 0.317 | 47% | 0.474 | S | S | . | . | trans | -93.8 | 135 | 179.5 | -64.4 | -173.6 | 59.4 | 81.5 | 9.1 | 111.4 | T137 D142 K144 | T137-R140 PolarHBondContact O-N 3.01Å; R140-D142 IonicContact CZ-OD1 3.67Å; R140-D142 IonicContact CZ-OD2 2.82Å; R140-D142 IonicContact NE-OD1 3.88Å; R140-D142 PolarHBondContact NE-OD1 3.07Å; R140-D142 IonicContact NE-OD2 2.81Å; R140-D142 VanDerWaalsContact NH2-CG 3.25Å; R140-D142 IonicContact NH2-OD1 2.7Å; R140-D142 PolarHBondContact NH2-OD1 3.22Å; R140-D142 IonicContact NH2-OD2 2.61Å; R140-D142 PolarHBondContact NH2-OD2 3.45Å; R140-K144 VanDerWaalsContact CD-O 3.25Å; R140-K144 WeakPolarHBondContact CD-O 3.07Å; R140-K144 PolarHBondContact NE-O 2.97Å | ||
| 141 | D | 96.7 | Very high | 95.7 | Very high | 176 Ų | 176 | 91.7 Ų | 91.7 | 94% | 0.941 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -23 | 179.2 | -56 | -39.9 | 0 | 0 | 0 | 113.4 | G143 | D141-G143 VanDerWaalsContact C-N 3.35Š|
| 142 | D | 94.9 | Very high | 95.7 | Very high | 66 Ų | 66 | 91 Ų | 91 | 35% | 0.353 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -2.7 | -175.7 | 66.8 | -5.9 | 0 | 0 | 0 | 114.4 | R140 K144 F149 | R140-D142 IonicContact CZ-OD1 3.67Å; R140-D142 IonicContact CZ-OD2 2.82Å; R140-D142 IonicContact NE-OD1 3.88Å; R140-D142 PolarHBondContact NE-OD1 3.07Å; R140-D142 IonicContact NE-OD2 2.81Å; R140-D142 VanDerWaalsContact NH2-CG 3.25Å; R140-D142 IonicContact NH2-OD1 2.7Å; R140-D142 PolarHBondContact NH2-OD1 3.22Å; R140-D142 IonicContact NH2-OD2 2.61Å; R140-D142 PolarHBondContact NH2-OD2 3.45Å; D142-K144 HydrophobicContact CB-CG 4.33Å; D142-K144 PolarHBondContact O-N 3.42Å; D142-K144 VanDerWaalsContact O-N 3.15Å; D142-K144 PolarHBondContact OD1-N 3.08Å; D142-K144 VanDerWaalsContact OD1-N 3.15Å; D142-K144 WeakPolarHBondContact OD2-CD 3.19Å; D142-F149 WeakPolarHBondContact OD2-CZ 3.42Å |
| 143 | G | 93.1 | Very high | 95.7 | Very high | 71 Ų | 71 | 91.6 Ų | 91.6 | 73% | 0.732 | 47% | 0.474 | S | S | * | . | trans | 64.7 | 12.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D141 | D141-G143 VanDerWaalsContact C-N 3.35Š| ||
| 144 | K | 94.3 | Very high | 95.6 | Very high | 122 Ų | 122 | 91 Ų | 91 | 53% | 0.53 | 47% | 0.474 | S | S | . | . | trans | -90.4 | 150.1 | -179.2 | -63 | -177.4 | -173.2 | 172.1 | 0 | 110.8 | R140 D142 A146 F149 | R140-K144 VanDerWaalsContact CD-O 3.25Å; R140-K144 WeakPolarHBondContact CD-O 3.07Å; R140-K144 PolarHBondContact NE-O 2.97Å; D142-K144 HydrophobicContact CB-CG 4.33Å; D142-K144 PolarHBondContact O-N 3.42Å; D142-K144 VanDerWaalsContact O-N 3.15Å; D142-K144 PolarHBondContact OD1-N 3.08Å; D142-K144 VanDerWaalsContact OD1-N 3.15Å; D142-K144 WeakPolarHBondContact OD2-CD 3.19Å; K144-A146 PolarHBondContact O-N 3.34Å; K144-F149 HydrophobicContact CB-CE2 3.87Å; K144-F149 HydrophobicContact CB-CZ 4.24Å; K144-F149 HydrophobicContact CD-CE2 4.44Å; K144-F149 HydrophobicContact CD-CZ 4.02Å | ||
| 145 | E | 95.1 | Very high | 95.7 | Very high | 104 Ų | 104 | 93.3 Ų | 93.3 | 49% | 0.486 | 48% | 0.478 | S | S | . | . | trans | -64 | 123.3 | 173.4 | -72.1 | 175.3 | -176.6 | 0 | 0 | 110.8 | L147 K148 F149 | E145-L147 PolarHBondContact O-N 3.03Å; E145-K148 HydrophobicContact CB-CB 4.47Å; E145-K148 HydrophobicContact CB-CD 4.23Å; E145-K148 HydrophobicContact CB-CG 3.95Å; E145-K148 WeakPolarHBondContact O-CB 3.31Å; E145-K148 PolarHBondContact O-N 2.96Å; E145-K148 VanDerWaalsContact O-N 3.14Å; E145-K148 WeakPolarHBondContact OE2-CE 3.48Å; E145-F149 WeakPolarHBondContact O-CD2 3.47Å | ||
| 146 | A | 96.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 95.4 Ų | 95.4 | 7% | 0.074 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -60 | -35.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L133 L136 T137 K144 K148 F149 | L133-A146 HydrophobicContact CB-CB 4.33Å; L133-A146 WeakPolarHBondContact O-CB 3.47Å; L136-A146 HydrophobicContact CB-CB 4.37Å; T137-A146 PolarHBondContact OG1-N 2.96Å; K144-A146 PolarHBondContact O-N 3.34Å; A146-K148 VanDerWaalsContact C-N 3.27Å; A146-K148 PolarHBondContact O-N 2.99Å; A146-F149 WeakPolarHBondContact O-CB 3.23Å; A146-F149 PolarHBondContact O-N 2.72Å |
| 147 | L | 96.6 | Very high | 95.7 | Very high | 33 Ų | 33 | 94.7 Ų | 94.7 | 17% | 0.173 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -65 | -29 | 179.6 | -175.7 | 63.6 | 0 | 0 | 0 | 112.8 | P130 L133 N134 E145 F149 Y150 T151 | P130-L147 HydrophobicContact CB-CD1 3.97Å; P130-L147 HydrophobicContact CG-CD1 4.21Å; L133-L147 HydrophobicContact CB-CD1 4.46Å; N134-L147 WeakPolarHBondContact OD1-CB 3.5Å; E145-L147 PolarHBondContact O-N 3.03Å; L147-F149 PolarHBondContact O-N 3.06Å; L147-Y150 HydrophobicContact CD1-CD1 4.25Å; L147-Y150 WeakPolarHBondContact O-CA 3.49Å; L147-Y150 WeakPolarHBondContact O-CB 3.37Å; L147-Y150 PolarHBondContact O-N 3.49Å; L147-T151 HydrophobicContact CD1-CG2 4.04Å; L147-T151 HydrophobicContact CG-CG2 4.05Å; L147-T151 PolarHBondContact O-N 3.43Å |
| 148 | K | 96.5 | Very high | 95.8 | Very high | 92 Ų | 92 | 96.4 Ų | 96.4 | 40% | 0.4 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -63.5 | -22.3 | 177.6 | -70.5 | -169.5 | 177.2 | -157.8 | 0 | 113.5 | E145 A146 Y150 T151 D152 | E145-K148 HydrophobicContact CB-CB 4.47Å; E145-K148 HydrophobicContact CB-CD 4.23Å; E145-K148 HydrophobicContact CB-CG 3.95Å; E145-K148 WeakPolarHBondContact O-CB 3.31Å; E145-K148 PolarHBondContact O-N 2.96Å; E145-K148 VanDerWaalsContact O-N 3.14Å; E145-K148 WeakPolarHBondContact OE2-CE 3.48Å; A146-K148 VanDerWaalsContact C-N 3.27Å; A146-K148 PolarHBondContact O-N 2.99Å; K148-Y150 VanDerWaalsContact C-N 3.26Å; K148-Y150 PolarHBondContact O-N 3.49Å; K148-T151 WeakPolarHBondContact CA-O 3.43Å; K148-D152 HydrophobicContact CB-CB 4.29Å; K148-D152 HydrophobicContact CG-CB 4.5Å |
| 149 | F | 95.3 | Very high | 95.7 | Very high | 124 Ų | 124 | 95.2 Ų | 95.2 | 54% | 0.544 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -74.9 | -17.6 | 172.6 | -66.8 | -93.3 | 0 | 0 | 0 | 113.1 | D142 K144 E145 A146 L147 | D142-F149 WeakPolarHBondContact OD2-CZ 3.42Å; K144-F149 HydrophobicContact CB-CE2 3.87Å; K144-F149 HydrophobicContact CB-CZ 4.24Å; K144-F149 HydrophobicContact CD-CE2 4.44Å; K144-F149 HydrophobicContact CD-CZ 4.02Å; E145-F149 WeakPolarHBondContact O-CD2 3.47Å; A146-F149 WeakPolarHBondContact O-CB 3.23Å; A146-F149 PolarHBondContact O-N 2.72Å; L147-F149 PolarHBondContact O-N 3.06Å |
| 150 | Y | 96.8 | Very high | 95.7 | Very high | 146 Ų | 146 | 90.2 Ų | 90.2 | 57% | 0.573 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -46.2 | 174.7 | 179.1 | -93.1 | 0 | 0 | 0 | 111.6 | P130 L133 L147 K148 | P130-Y150 HydrophobicContact CB-CD1 4.04Å; P130-Y150 HydrophobicContact CB-CE1 3.78Å; L133-Y150 HydrophobicContact CD1-CD2 4.38Å; L133-Y150 HydrophobicContact CD1-CG 4.11Å; L147-Y150 HydrophobicContact CD1-CD1 4.25Å; L147-Y150 WeakPolarHBondContact O-CA 3.49Å; L147-Y150 WeakPolarHBondContact O-CB 3.37Å; L147-Y150 PolarHBondContact O-N 3.49Å; K148-Y150 VanDerWaalsContact C-N 3.26Å; K148-Y150 PolarHBondContact O-N 3.49Å |
| 151 | T | 96.5 | Very high | 95.6 | Very high | 65 Ų | 65 | 90.8 Ų | 90.8 | 40% | 0.399 | 46% | 0.455 | S | S | . | . | trans | -147.6 | 124.5 | 178.3 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | L147 K148 | L147-T151 HydrophobicContact CD1-CG2 4.04Å; L147-T151 HydrophobicContact CG-CG2 4.05Å; L147-T151 PolarHBondContact O-N 3.43Å; K148-T151 WeakPolarHBondContact CA-O 3.43Å | ||
| 152 | D | 96.3 | Very high | 95.6 | Very high | 44 Ų | 44 | 88.8 Ų | 88.8 | 24% | 0.235 | 44% | 0.44 | C | S | . | . | trans | -129.5 | 100 | 176.9 | -175.5 | 3.6 | 0 | 0 | 0 | 110.7 | K148 S154 Y155 | K148-D152 HydrophobicContact CB-CB 4.29Å; K148-D152 HydrophobicContact CG-CB 4.5Å; D152-S154 PolarHBondContact O-N 2.96Å; D152-S154 PolarHBondContact OD1-N 3.47Å; D152-S154 PolarHBondContact OD1-OG 2.92Å; D152-Y155 VanDerWaalsContact O-CB 3.3Å; D152-Y155 WeakPolarHBondContact O-CB 3.44Å; D152-Y155 PolarHBondContact O-N 3.19Å | ||
| 153 | P | 94.7 | Very high | 95.6 | Very high | 108 Ų | 108 | 90.8 Ų | 90.8 | 70% | 0.701 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.3 | 176.5 | -23.1 | 34.7 | 0 | 0 | 0 | 114.3 | ||
| 154 | S | 95.4 | Very high | 95.5 | Very high | 40 Ų | 40 | 89.1 Ų | 89.1 | 28% | 0.28 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -17 | -179.5 | 73.8 | 0 | 0 | 0 | 0 | 113 | D152 F156 F157 D158 | D152-S154 PolarHBondContact O-N 2.96Å; D152-S154 PolarHBondContact OD1-N 3.47Å; D152-S154 PolarHBondContact OD1-OG 2.92Å; S154-F156 VanDerWaalsContact C-N 3.3Å; S154-F156 PolarHBondContact O-N 3.3Å; S154-F156 VanDerWaalsContact O-N 3.14Å; S154-F157 PolarHBondContact O-N 3.02Å; S154-D158 WeakPolarHBondContact CB-OD2 3.31Å; S154-D158 PolarHBondContact O-N 3.38Å; S154-D158 PolarHBondContact OG-OD2 3.24Å |
| 155 | Y | 96.8 | Very high | 95.4 | Very high | 125 Ų | 125 | 85.8 Ų | 85.8 | 49% | 0.49 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -45.7 | -48.5 | -177.4 | 179.8 | -99 | 0 | 0 | 0 | 114 | D152 F157 D158 L159 | D152-Y155 VanDerWaalsContact O-CB 3.3Å; D152-Y155 WeakPolarHBondContact O-CB 3.44Å; D152-Y155 PolarHBondContact O-N 3.19Å; Y155-F157 PolarHBondContact O-N 3.37Å; Y155-D158 PolarHBondContact O-N 3.02Å; Y155-L159 HydrophobicContact CE1-CD2 4.03Å; Y155-L159 VanDerWaalsContact O-CB 3.27Å; Y155-L159 WeakPolarHBondContact O-CB 3.07Å; Y155-L159 PolarHBondContact O-N 3.17Å |
| 156 | F | 96.4 | Very high | 95.4 | Very high | 160 Ų | 160 | 85 Ų | 85 | 70% | 0.702 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | -178.4 | -64.2 | -72.3 | 0 | 0 | 0 | 112.6 | S154 W160 | S154-F156 VanDerWaalsContact C-N 3.3Å; S154-F156 PolarHBondContact O-N 3.3Å; S154-F156 VanDerWaalsContact O-N 3.14Å; F156-W160 WeakPolarHBondContact O-CB 3.11Å; F156-W160 PolarHBondContact O-N 3.32Å |
| 157 | F | 95.4 | Very high | 95.1 | Very high | 82 Ų | 82 | 86.3 Ų | 86.3 | 36% | 0.36 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.5 | -41 | 179.3 | 178.6 | -100.6 | 0 | 0 | 0 | 111.1 | S154 Y155 W160 K161 | S154-F157 PolarHBondContact O-N 3.02Å; Y155-F157 PolarHBondContact O-N 3.37Å; F157-W160 AromaticContact CD2-CE3 3.95Å; F157-W160 HydrophobicContact CD2-CE3 3.95Å; F157-W160 HydrophobicContact CD2-CZ3 4.25Å; F157-W160 AromaticContact CE2-CE3 3.85Å; F157-W160 HydrophobicContact CE2-CE3 3.85Å; F157-W160 AromaticContact CE2-CZ3 3.68Å; F157-W160 HydrophobicContact CE2-CZ3 3.68Å; F157-W160 HydrophobicContact CZ-CZ3 4.33Å; F157-W160 PolarHBondContact O-N 3.44Å; F157-K161 HydrophobicContact CE1-CD 4.35Å; F157-K161 WeakPolarHBondContact O-CB 3.46Å; F157-K161 PolarHBondContact O-N 2.97Å |
| 158 | D | 95.8 | Very high | 94.9 | Very high | 73 Ų | 73 | 85.4 Ų | 85.4 | 39% | 0.39 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 180 | -66.6 | -30.3 | 0 | 0 | 0 | 111.1 | S154 Y155 K161 E162 | S154-D158 WeakPolarHBondContact CB-OD2 3.31Å; S154-D158 PolarHBondContact O-N 3.38Å; S154-D158 PolarHBondContact OG-OD2 3.24Å; Y155-D158 PolarHBondContact O-N 3.02Å; D158-K161 PolarHBondContact O-N 3.21Å; D158-E162 WeakPolarHBondContact O-CB 3.35Å; D158-E162 PolarHBondContact O-N 2.95Å |
| 159 | L | 96.1 | Very high | 94.6 | Very high | 84 Ų | 84 | 84.1 Ų | 84.1 | 44% | 0.44 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 176 | -174.2 | 65.7 | 0 | 0 | 0 | 112 | Y155 E162 K163 | Y155-L159 HydrophobicContact CE1-CD2 4.03Å; Y155-L159 VanDerWaalsContact O-CB 3.27Å; Y155-L159 WeakPolarHBondContact O-CB 3.07Å; Y155-L159 PolarHBondContact O-N 3.17Å; L159-E162 PolarHBondContact O-N 2.91Å; L159-K163 WeakPolarHBondContact O-CB 3.35Å; L159-K163 PolarHBondContact O-N 3.45Å |
| 160 | W | 95.8 | Very high | 94.4 | Very high | 86 Ų | 86 | 81.5 Ų | 81.5 | 33% | 0.326 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.9 | 169.7 | 83.7 | 0 | 0 | 0 | 111.7 | F156 F157 E162 K163 M164 V469 A470 L473 | F156-W160 WeakPolarHBondContact O-CB 3.11Å; F156-W160 PolarHBondContact O-N 3.32Å; F157-W160 AromaticContact CD2-CE3 3.95Å; F157-W160 HydrophobicContact CD2-CE3 3.95Å; F157-W160 HydrophobicContact CD2-CZ3 4.25Å; F157-W160 AromaticContact CE2-CE3 3.85Å; F157-W160 HydrophobicContact CE2-CE3 3.85Å; F157-W160 AromaticContact CE2-CZ3 3.68Å; F157-W160 HydrophobicContact CE2-CZ3 3.68Å; F157-W160 HydrophobicContact CZ-CZ3 4.33Å; F157-W160 PolarHBondContact O-N 3.44Å; W160-E162 PolarHBondContact O-N 3.5Å; W160-K163 WeakPolarHBondContact O-CB 3.21Å; W160-K163 PolarHBondContact O-N 2.9Å; W160-M164 HydrophobicContact CD2-CG 4.06Å; W160-M164 HydrophobicContact CG-CG 4.48Å; W160-M164 HydrophobicContact CH2-CG 4.24Å; W160-M164 HydrophobicContact CZ2-CG 3.66Å; W160-M164 HydrophobicContact CZ2-SD 4.42Å; W160-M164 WeakPolarHBondContact O-CG 3.34Å; W160-M164 PolarHBondContact O-N 3.32Å; W160-V469 HydrophobicContact CH2-CB 3.65Å; W160-V469 HydrophobicContact CH2-CG1 3.54Å; W160-V469 HydrophobicContact CZ3-CB 4.24Å; W160-V469 HydrophobicContact CZ3-CG1 3.7Å; W160-A470 HydrophobicContact CZ2-CB 4.13Å; W160-L473 HydrophobicContact CH2-CD1 4.26Å; W160-L473 HydrophobicContact CZ3-CD1 4.34Å |
| 161 | K | 93.7 | Very high | 94 | Very high | 96 Ų | 96 | 78.5 Ų | 78.5 | 42% | 0.417 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 178.3 | 175.7 | -172.6 | 173.1 | -172.6 | 0 | 110.9 | F157 D158 M164 L165 | F157-K161 HydrophobicContact CE1-CD 4.35Å; F157-K161 WeakPolarHBondContact O-CB 3.46Å; F157-K161 PolarHBondContact O-N 2.97Å; D158-K161 PolarHBondContact O-N 3.21Å; K161-M164 PolarHBondContact O-N 3.42Å; K161-L165 PolarHBondContact O-N 3.2Å |
| 162 | E | 95.8 | Very high | 93.4 | Very high | 135 Ų | 135 | 77.1 Ų | 77.1 | 63% | 0.631 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.9 | -49 | 175.8 | -178.2 | 176.9 | -169.5 | 0 | 0 | 110.9 | D158 L159 W160 M164 L165 Q166 | D158-E162 WeakPolarHBondContact O-CB 3.35Å; D158-E162 PolarHBondContact O-N 2.95Å; L159-E162 PolarHBondContact O-N 2.91Å; W160-E162 PolarHBondContact O-N 3.5Å; E162-M164 PolarHBondContact O-N 2.92Å; E162-L165 WeakPolarHBondContact O-CB 3.45Å; E162-L165 PolarHBondContact O-N 3.11Å; E162-Q166 PolarHBondContact O-N 3.07Å |
| 163 | K | 94.6 | Very high | 93.1 | Very high | 107 Ų | 107 | 81.1 Ų | 81.1 | 47% | 0.465 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 176.9 | -169.8 | -162.7 | -177.6 | -47.3 | 0 | 112.1 | L159 W160 L165 Q166 D167 | L159-K163 WeakPolarHBondContact O-CB 3.35Å; L159-K163 PolarHBondContact O-N 3.45Å; W160-K163 WeakPolarHBondContact O-CB 3.21Å; W160-K163 PolarHBondContact O-N 2.9Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 3Å; K163-Q166 PolarHBondContact O-N 3.28Å; K163-D167 IonicContact NZ-OD1 3.82Å; K163-D167 PolarHBondContact NZ-OD1 3.39Å; K163-D167 IonicContact NZ-OD2 3.19Å; K163-D167 PolarHBondContact NZ-OD2 2.95Å; K163-D167 WeakPolarHBondContact O-CB 3.32Å; K163-D167 VanDerWaalsContact O-CG 3.29Å; K163-D167 PolarHBondContact O-N 2.82Å |
| 164 | M | 91.4 | Very high | 92.8 | Very high | 36 Ų | 36 | 81 Ų | 81 | 18% | 0.177 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 179.9 | -69.5 | -61.3 | 94.6 | 0 | 0 | 112.5 | W160 K161 E162 D167 T168 A470 L473 | W160-M164 HydrophobicContact CD2-CG 4.06Å; W160-M164 HydrophobicContact CG-CG 4.48Å; W160-M164 HydrophobicContact CH2-CG 4.24Å; W160-M164 HydrophobicContact CZ2-CG 3.66Å; W160-M164 HydrophobicContact CZ2-SD 4.42Å; W160-M164 WeakPolarHBondContact O-CG 3.34Å; W160-M164 PolarHBondContact O-N 3.32Å; K161-M164 PolarHBondContact O-N 3.42Å; E162-M164 PolarHBondContact O-N 2.92Å; M164-D167 VanDerWaalsContact CE-OD2 3.26Å; M164-D167 WeakPolarHBondContact CE-OD2 3.5Å; M164-T168 WeakPolarHBondContact O-CB 3.27Å; M164-T168 PolarHBondContact O-N 2.89Å; M164-T168 PolarHBondContact O-OG1 3.06Å; M164-A470 HydrophobicContact CG-CB 4.5Å; M164-A470 HydrophobicContact SD-CB 4.1Å; M164-L473 HydrophobicContact CB-CD1 4.33Å |
| 165 | L | 92.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 86.1 Ų | 86.1 | 28% | 0.277 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 173.9 | -127.7 | 73.1 | 0 | 0 | 0 | 111.5 | K161 E162 K163 T168 K169 L473 I477 | K161-L165 PolarHBondContact O-N 3.2Å; E162-L165 WeakPolarHBondContact O-CB 3.45Å; E162-L165 PolarHBondContact O-N 3.11Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 3Å; L165-T168 PolarHBondContact O-N 3.37Å; L165-K169 WeakPolarHBondContact O-CG 3.34Å; L165-K169 PolarHBondContact O-N 2.86Å; L165-L473 HydrophobicContact CD1-CD2 3.63Å; L165-I477 HydrophobicContact CD1-CD1 3.54Å; L165-I477 HydrophobicContact CG-CD1 3.65Å |
| 166 | Q | 94.2 | Very high | 91.9 | Very high | 86 Ų | 86 | 85.1 Ų | 85.1 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.6 | -49 | -179.8 | -172.1 | 54.8 | 44 | 0 | 0 | 111.3 | E162 K163 T168 K169 D170 | E162-Q166 PolarHBondContact O-N 3.07Å; K163-Q166 PolarHBondContact O-N 3.28Å; Q166-T168 VanDerWaalsContact C-N 3.26Å; Q166-T168 PolarHBondContact O-N 3Å; Q166-K169 WeakPolarHBondContact O-CB 3.19Å; Q166-K169 PolarHBondContact O-N 3.3Å; Q166-K169 VanDerWaalsContact O-N 3.08Å; Q166-D170 PolarHBondContact NE2-OD1 3.05Å; Q166-D170 PolarHBondContact NE2-OD2 3.33Å; Q166-D170 PolarHBondContact O-N 3.4Å |
| 167 | D | 91.3 | Very high | 91.6 | Very high | 37 Ų | 37 | 82.6 Ų | 82.6 | 20% | 0.198 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.8 | -42.2 | 175.5 | -72.4 | -5.9 | 0 | 0 | 0 | 111.1 | K163 M164 D170 I171 | K163-D167 IonicContact NZ-OD1 3.82Å; K163-D167 PolarHBondContact NZ-OD1 3.39Å; K163-D167 IonicContact NZ-OD2 3.19Å; K163-D167 PolarHBondContact NZ-OD2 2.95Å; K163-D167 WeakPolarHBondContact O-CB 3.32Å; K163-D167 VanDerWaalsContact O-CG 3.29Å; K163-D167 PolarHBondContact O-N 2.82Å; M164-D167 VanDerWaalsContact CE-OD2 3.26Å; M164-D167 WeakPolarHBondContact CE-OD2 3.5Å; D167-D170 PolarHBondContact O-N 3.43Å; D167-I171 WeakPolarHBondContact O-CB 3.41Å; D167-I171 WeakPolarHBondContact O-CD1 3.44Å; D167-I171 WeakPolarHBondContact O-CG1 3.26Å; D167-I171 PolarHBondContact O-N 3.3Å |
| 168 | T | 90.9 | Very high | 90.9 | Very high | 15 Ų | 15 | 84.4 Ų | 84.4 | 9% | 0.092 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 177.4 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | M164 L165 Q166 D170 I171 M172 S474 I477 | M164-T168 WeakPolarHBondContact O-CB 3.27Å; M164-T168 PolarHBondContact O-N 2.89Å; M164-T168 PolarHBondContact O-OG1 3.06Å; L165-T168 PolarHBondContact O-N 3.37Å; Q166-T168 VanDerWaalsContact C-N 3.26Å; Q166-T168 PolarHBondContact O-N 3Å; T168-D170 VanDerWaalsContact C-N 3.33Å; T168-D170 PolarHBondContact O-N 2.82Å; T168-I171 PolarHBondContact O-N 2.97Å; T168-M172 WeakPolarHBondContact O-CB 3.42Å; T168-M172 PolarHBondContact O-N 3.39Å; T168-S474 PolarHBondContact OG1-OG 2.89Å; T168-I477 HydrophobicContact CG2-CB 3.95Å; T168-I477 HydrophobicContact CG2-CD1 3.85Å; T168-I477 HydrophobicContact CG2-CG2 3.91Å |
| 169 | K | 90.3 | Very high | 90.3 | Very high | 65 Ų | 65 | 90.5 Ų | 90.5 | 28% | 0.283 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.2 | -74.5 | 174.9 | 178.8 | 178.3 | 0 | 111.2 | L165 Q166 M172 K173 | L165-K169 WeakPolarHBondContact O-CG 3.34Å; L165-K169 PolarHBondContact O-N 2.86Å; Q166-K169 WeakPolarHBondContact O-CB 3.19Å; Q166-K169 PolarHBondContact O-N 3.3Å; Q166-K169 VanDerWaalsContact O-N 3.08Å; K169-M172 PolarHBondContact O-N 3.47Å; K169-K173 WeakPolarHBondContact O-CG 3.42Å; K169-K173 PolarHBondContact O-N 3.46Å |
| 170 | D | 90.9 | Very high | 89.6 | Confident | 69 Ų | 69 | 94.1 Ų | 94.1 | 37% | 0.369 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70 | -40.7 | -178.7 | -66.2 | -23.4 | 0 | 0 | 0 | 111.8 | Q166 D167 T168 M172 K173 E174 | Q166-D170 PolarHBondContact NE2-OD1 3.05Å; Q166-D170 PolarHBondContact NE2-OD2 3.33Å; Q166-D170 PolarHBondContact O-N 3.4Å; D167-D170 PolarHBondContact O-N 3.43Å; T168-D170 VanDerWaalsContact C-N 3.33Å; T168-D170 PolarHBondContact O-N 2.82Å; D170-M172 VanDerWaalsContact C-N 3.3Å; D170-M172 PolarHBondContact O-N 2.99Å; D170-K173 PolarHBondContact O-N 3.14Å; D170-E174 WeakPolarHBondContact O-CB 3.36Å; D170-E174 PolarHBondContact O-N 3.28Å |
| 171 | I | 88.9 | Confident | 88.7 | Confident | 82 Ų | 82 | 94.9 Ų | 94.9 | 42% | 0.421 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 172 | -69.6 | 163.4 | 0 | 0 | 0 | 111 | D167 T168 K175 | D167-I171 WeakPolarHBondContact O-CB 3.41Å; D167-I171 WeakPolarHBondContact O-CD1 3.44Å; D167-I171 WeakPolarHBondContact O-CG1 3.26Å; D167-I171 PolarHBondContact O-N 3.3Å; T168-I171 PolarHBondContact O-N 2.97Å; I171-K175 VanDerWaalsContact O-CB 3.3Å; I171-K175 WeakPolarHBondContact O-CB 3.4Å; I171-K175 PolarHBondContact O-N 3.38Å |
| 172 | M | 83.7 | Confident | 87.7 | Confident | 36 Ų | 36 | 96.5 Ų | 96.5 | 18% | 0.177 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67 | -42.9 | 179.9 | -173.7 | 174.9 | 66.8 | 0 | 0 | 111.9 | T168 K169 D170 K175 R176 Y481 | T168-M172 WeakPolarHBondContact O-CB 3.42Å; T168-M172 PolarHBondContact O-N 3.39Å; K169-M172 PolarHBondContact O-N 3.47Å; D170-M172 VanDerWaalsContact C-N 3.3Å; D170-M172 PolarHBondContact O-N 2.99Å; M172-K175 PolarHBondContact O-N 3.02Å; M172-R176 WeakPolarHBondContact O-CG 3.32Å; M172-R176 PolarHBondContact O-N 3.27Å; M172-Y481 HydrophobicContact CE-CD1 4.06Å; M172-Y481 HydrophobicContact CE-CD2 3.9Å; M172-Y481 HydrophobicContact CE-CG 3.62Å; M172-Y481 HydrophobicContact SD-CG 4.34Å |
| 173 | K | 91 | Very high | 86.4 | Confident | 128 Ų | 128 | 98.1 Ų | 98.1 | 56% | 0.557 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.6 | -46.3 | 175.2 | -74.7 | 175.1 | -178.2 | 176 | 0 | 111.6 | K169 D170 K175 R176 K177 | K169-K173 WeakPolarHBondContact O-CG 3.42Å; K169-K173 PolarHBondContact O-N 3.46Å; D170-K173 PolarHBondContact O-N 3.14Å; K173-K175 PolarHBondContact O-N 2.77Å; K173-R176 PolarHBondContact O-N 3.14Å; K173-K177 PolarHBondContact O-N 3.35Å |
| 174 | E | 88.6 | Confident | 85.1 | Confident | 105 Ų | 105 | 99.3 Ų | 99.3 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 178.8 | -164.2 | 58.6 | -140.7 | 0 | 0 | 111.3 | D170 R176 K177 H178 | D170-E174 WeakPolarHBondContact O-CB 3.36Å; D170-E174 PolarHBondContact O-N 3.28Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 2.92Å; E174-K177 PolarHBondContact O-N 2.93Å; E174-K177 IonicContact OE1-NZ 2.87Å; E174-H178 WeakPolarHBondContact O-CB 3.43Å; E174-H178 PolarHBondContact O-N 3.33Å |
| 175 | K | 86.9 | Confident | 84 | Confident | 149 Ų | 149 | 101.4 Ų | 101.4 | 65% | 0.648 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.2 | -38.1 | 174.8 | -175.6 | -179.2 | 169.4 | -174.6 | 0 | 112.5 | I171 M172 K173 R179 | I171-K175 VanDerWaalsContact O-CB 3.3Å; I171-K175 WeakPolarHBondContact O-CB 3.4Å; I171-K175 PolarHBondContact O-N 3.38Å; M172-K175 PolarHBondContact O-N 3.02Å; K173-K175 PolarHBondContact O-N 2.77Å; K175-R179 WeakPolarHBondContact O-CB 3.35Å; K175-R179 PolarHBondContact O-N 2.99Å; K175-R179 VanDerWaalsContact O-N 3.11Å |
| 176 | R | 86.6 | Confident | 82.8 | Confident | 104 Ų | 104 | 104.6 Ų | 104.6 | 39% | 0.392 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 175.1 | -73.8 | 174.6 | 178.8 | -168.4 | -7.1 | 111.3 | M172 K173 E174 R179 K180 Y481 E485 | M172-R176 WeakPolarHBondContact O-CG 3.32Å; M172-R176 PolarHBondContact O-N 3.27Å; K173-R176 PolarHBondContact O-N 3.14Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 2.92Å; R176-R179 WeakPolarHBondContact O-CB 3.2Å; R176-R179 PolarHBondContact O-N 2.96Å; R176-K180 PolarHBondContact O-N 3.49Å; R176-Y481 PolarHBondContact NH2-O 3.43Å; R176-Y481 VanDerWaalsContact NH2-O 3.17Å; R176-E485 IonicContact CZ-OE2 3.27Å; R176-E485 IonicContact NH1-OE2 3.01Å; R176-E485 PolarHBondContact NH1-OE2 2.95Å; R176-E485 IonicContact NH2-OE2 2.91Å; R176-E485 PolarHBondContact NH2-OE2 3.09Å |
| 177 | K | 88.7 | Confident | 81.2 | Confident | 106 Ų | 106 | 105.6 Ų | 105.6 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.7 | -50.6 | 175.9 | -177.8 | -176.1 | 165.4 | -157.6 | 0 | 111.5 | K173 E174 R179 K180 E181 | K173-K177 PolarHBondContact O-N 3.35Å; E174-K177 PolarHBondContact O-N 2.93Å; E174-K177 IonicContact OE1-NZ 2.87Å; K177-R179 VanDerWaalsContact C-N 3.27Å; K177-R179 PolarHBondContact O-N 3.2Å; K177-K180 WeakPolarHBondContact O-CA 3.12Å; K177-K180 WeakPolarHBondContact O-CB 3.4Å; K177-K180 PolarHBondContact O-N 2.83Å; K177-E181 WeakPolarHBondContact CE-OE1 3.48Å; K177-E181 PolarHBondContact O-N 3.45Å |
| 178 | H | 81.1 | Confident | 79.5 | Confident | 121 Ų | 121 | 110.7 Ų | 110.7 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -32.3 | 177.2 | -171.4 | -88.2 | 0 | 0 | 0 | 112.8 | E174 K182 | E174-H178 WeakPolarHBondContact O-CB 3.43Å; E174-H178 PolarHBondContact O-N 3.33Å; H178-K182 VanDerWaalsContact O-CB 3.23Å; H178-K182 WeakPolarHBondContact O-CB 3.48Å; H178-K182 PolarHBondContact O-N 2.68Å |
| 179 | R | 82.2 | Confident | 77.9 | Confident | 201 Ų | 201 | 113.7 Ų | 113.7 | 76% | 0.758 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68 | -38.8 | 172.4 | -171 | -178.5 | -178.4 | -144.9 | 2.5 | 111.9 | K175 R176 K177 K183 | K175-R179 WeakPolarHBondContact O-CB 3.35Å; K175-R179 PolarHBondContact O-N 2.99Å; K175-R179 VanDerWaalsContact O-N 3.11Å; R176-R179 WeakPolarHBondContact O-CB 3.2Å; R176-R179 PolarHBondContact O-N 2.96Å; K177-R179 VanDerWaalsContact C-N 3.27Å; K177-R179 PolarHBondContact O-N 3.2Å; R179-K183 WeakPolarHBondContact O-CB 3.1Å; R179-K183 PolarHBondContact O-N 3.34Å |
| 180 | K | 81.4 | Confident | 76.3 | Confident | 159 Ų | 159 | 116.1 Ų | 116.1 | 69% | 0.691 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.8 | -47.4 | 176.9 | -171.8 | 173.6 | 179.8 | 176.3 | 0 | 111.1 | R176 K177 K182 K183 D184 | R176-K180 PolarHBondContact O-N 3.49Å; K177-K180 WeakPolarHBondContact O-CA 3.12Å; K177-K180 WeakPolarHBondContact O-CB 3.4Å; K177-K180 PolarHBondContact O-N 2.83Å; K180-K182 VanDerWaalsContact C-N 3.31Å; K180-K182 PolarHBondContact O-N 3.43Å; K180-K183 CarbonylContact O-C 3.56Å; K180-K183 WeakPolarHBondContact O-CA 3.39Å; K180-K183 WeakPolarHBondContact O-CB 3.19Å; K180-K183 PolarHBondContact O-N 3.39Å; K180-D184 WeakPolarHBondContact O-CB 3.49Å; K180-D184 PolarHBondContact O-N 2.91Å |
| 181 | E | 77.2 | Confident | 74.7 | Confident | 103 Ų | 103 | 117.8 Ų | 117.8 | 48% | 0.481 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.4 | -40.3 | 174.9 | -71.4 | 174.4 | 173.7 | 0 | 0 | 111.9 | K177 K183 D184 N185 | K177-E181 WeakPolarHBondContact CE-OE1 3.48Å; K177-E181 PolarHBondContact O-N 3.45Å; E181-K183 VanDerWaalsContact C-N 3.29Å; E181-K183 PolarHBondContact O-N 3.05Å; E181-D184 PolarHBondContact O-N 3.37Å; E181-N185 PolarHBondContact O-N 2.82Å |
| 182 | K | 72.6 | Confident | 73.3 | Confident | 129 Ų | 129 | 119.8 Ų | 119.8 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.5 | -27.8 | 172.8 | -173.9 | 173.9 | -179.7 | 175.6 | 0 | 113.5 | H178 K180 R188 | H178-K182 VanDerWaalsContact O-CB 3.23Å; H178-K182 WeakPolarHBondContact O-CB 3.48Å; H178-K182 PolarHBondContact O-N 2.68Å; K180-K182 VanDerWaalsContact C-N 3.31Å; K180-K182 PolarHBondContact O-N 3.43Å; K182-R188 WeakPolarHBondContact O-CD 3.3Å |
| 183 | K | 69.8 | Low | 72.2 | Confident | 170 Ų | 170 | 123.4 Ų | 123.4 | 74% | 0.739 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -79.1 | -38.7 | 175.9 | -173.4 | 179.2 | 176.2 | -174.9 | 0 | 111.3 | R179 K180 E181 N185 | R179-K183 WeakPolarHBondContact O-CB 3.1Å; R179-K183 PolarHBondContact O-N 3.34Å; K180-K183 CarbonylContact O-C 3.56Å; K180-K183 WeakPolarHBondContact O-CA 3.39Å; K180-K183 WeakPolarHBondContact O-CB 3.19Å; K180-K183 PolarHBondContact O-N 3.39Å; E181-K183 VanDerWaalsContact C-N 3.29Å; E181-K183 PolarHBondContact O-N 3.05Å; K183-N185 VanDerWaalsContact C-N 3.35Å |
| 184 | D | 67.3 | Low | 70.8 | Confident | 131 Ų | 131 | 128.6 Ų | 128.6 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -83 | -9.7 | -176.8 | -160.2 | 41.4 | 0 | 0 | 0 | 113.4 | K180 E181 P186 | K180-D184 WeakPolarHBondContact O-CB 3.49Å; K180-D184 PolarHBondContact O-N 2.91Å; E181-D184 PolarHBondContact O-N 3.37Å; D184-P186 WeakPolarHBondContact O-CD 3.25Å |
| 185 | N | 68.2 | Low | 69.5 | Low | 80 Ų | 80 | 132.7 Ų | 132.7 | 43% | 0.428 | 64% | 0.643 | S | S | . | * | trans | -57.8 | 110 | 175.9 | -176.1 | 47.4 | 0 | 0 | 0 | 111.2 | E181 K183 N187 R188 | E181-N185 PolarHBondContact O-N 2.82Å; K183-N185 VanDerWaalsContact C-N 3.35Å; N185-N187 PolarHBondContact O-N 2.9Å; N185-R188 VanDerWaalsContact O-CB 3.31Å; N185-R188 WeakPolarHBondContact O-CB 3.49Å; N185-R188 PolarHBondContact O-N 3.27Å | ||
| 186 | P | 66.1 | Low | 68 | Low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -66.4 | -16.7 | -173.9 | 25.6 | -33.3 | 0 | 0 | 0 | 112.8 | D184 R188 | D184-P186 WeakPolarHBondContact O-CD 3.25Å; P186-R188 VanDerWaalsContact C-N 3.26Å; P186-R188 PolarHBondContact O-N 2.99Å |
| 187 | N | 60.8 | Low | 66.7 | Low | 108 Ų | 108 | 136.3 Ų | 136.3 | 58% | 0.578 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -76.9 | -3.8 | 173.7 | -103.3 | -47.3 | 0 | 0 | 0 | 114.4 | N185 G189 N190 | N185-N187 PolarHBondContact O-N 2.9Å; N187-G189 VanDerWaalsContact C-N 3.34Å; N187-N190 PolarHBondContact O-N 3.42Å |
| 188 | R | 56.8 | Low | 65.5 | Low | 144 Ų | 144 | 135.6 Ų | 135.6 | 54% | 0.543 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -73.3 | -26.6 | -179.7 | -153.9 | 178.2 | -176.1 | -160.7 | -2.8 | 113 | K182 N185 P186 N190 | K182-R188 WeakPolarHBondContact O-CD 3.3Å; N185-R188 VanDerWaalsContact O-CB 3.31Å; N185-R188 WeakPolarHBondContact O-CB 3.49Å; N185-R188 PolarHBondContact O-N 3.27Å; P186-R188 VanDerWaalsContact C-N 3.26Å; P186-R188 PolarHBondContact O-N 2.99Å; R188-N190 VanDerWaalsContact C-N 3.28Å |
| 189 | G | 56.7 | Low | 64.6 | Low | 78 Ų | 78 | 138.3 Ų | 138.3 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -73.5 | -17.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N187 | N187-G189 VanDerWaalsContact C-N 3.34Š|
| 190 | N | 56.5 | Low | 64.1 | Low | 115 Ų | 115 | 135.7 Ų | 135.7 | 62% | 0.615 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -98.5 | 13.4 | 178.7 | -144.6 | 22.5 | 0 | 0 | 0 | 113 | N187 R188 N192 | N187-N190 PolarHBondContact O-N 3.42Å; R188-N190 VanDerWaalsContact C-N 3.28Å; N190-N192 VanDerWaalsContact C-N 3.25Å; N190-N192 PolarHBondContact O-N 3.47Å; N190-N192 PolarHBondContact O-OD1 3.48Å |
| 191 | V | 58.2 | Low | 63.3 | Low | 105 Ų | 105 | 134.5 Ų | 134.5 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | -72.3 | 92.5 | 162.7 | -177 | 0 | 0 | 0 | 0 | 105.9 | P193 | V191-P193 VanDerWaalsContact O-N 3.14Š| ||
| 192 | N | 59.1 | Low | 62.7 | Low | 123 Ų | 123 | 135.4 Ų | 135.4 | 66% | 0.658 | 67% | 0.672 | S | S | * | * | trans | -44.8 | 127.4 | 167 | -66.5 | 79.6 | 0 | 0 | 0 | 107.1 | N190 R194 | N190-N192 VanDerWaalsContact C-N 3.25Å; N190-N192 PolarHBondContact O-N 3.47Å; N190-N192 PolarHBondContact O-OD1 3.48Å; N192-R194 PolarHBondContact O-N 2.96Å | ||
| 193 | P | 61 | Low | 62.4 | Low | 113 Ų | 113 | 137.3 Ų | 137.3 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | trans | -49.4 | 125 | 171.3 | 19.3 | -29.7 | 0 | 0 | 0 | 106.1 | V191 K195 | V191-P193 VanDerWaalsContact O-N 3.14Å; P193-K195 VanDerWaalsContact C-N 3.35Å; P193-K195 PolarHBondContact O-N 3.05Å | ||
| 194 | R | 60.7 | Low | 62.4 | Low | 237 Ų | 237 | 134.7 Ų | 134.7 | 89% | 0.894 | 67% | 0.666 | S | S | * | * | trans | -50.8 | 110.5 | 174.8 | -80.1 | -175.1 | -174.4 | -171.7 | 1.5 | 104.8 | N192 I196 | N192-R194 PolarHBondContact O-N 2.96Å; R194-I196 PolarHBondContact O-N 3.21Å | ||
| 195 | K | 62.4 | Low | 62.3 | Low | 191 Ų | 191 | 133.8 Ų | 133.8 | 83% | 0.83 | 66% | 0.656 | S | S | * | * | trans | -49.6 | 116.7 | 174.7 | -69.5 | -176.2 | -179.4 | -177.9 | 0 | 104.5 | P193 K197 | P193-K195 VanDerWaalsContact C-N 3.35Å; P193-K195 PolarHBondContact O-N 3.05Å; K195-K197 PolarHBondContact O-N 3.03Å | ||
| 196 | I | 55.1 | Low | 62.1 | Low | 150 Ų | 150 | 134.9 Ų | 134.9 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | trans | -60.7 | 100.4 | 171.7 | -65.9 | 167.9 | 0 | 0 | 0 | 103.4 | R194 T198 | R194-I196 PolarHBondContact O-N 3.21Å; I196-T198 HydrophobicContact CG2-CG2 4.3Å; I196-T198 PolarHBondContact O-N 3.28Å | ||
| 197 | K | 60.2 | Low | 62.3 | Low | 179 Ų | 179 | 137.7 Ų | 137.7 | 78% | 0.778 | 66% | 0.659 | S | S | * | * | trans | -66.7 | 91.2 | 169.2 | -85.6 | -175.8 | 165.3 | -178.1 | 0 | 105 | K195 R199 | K195-K197 PolarHBondContact O-N 3.03Å; K197-R199 PolarHBondContact O-N 2.92Å | ||
| 198 | T | 63.4 | Low | 62.3 | Low | 91 Ų | 91 | 139.5 Ų | 139.5 | 56% | 0.558 | 67% | 0.666 | S | S | * | * | trans | -59.5 | 129.1 | 167.4 | 40.5 | 0 | 0 | 0 | 0 | 107.3 | I196 K200 E201 | I196-T198 HydrophobicContact CG2-CG2 4.3Å; I196-T198 PolarHBondContact O-N 3.28Å; T198-K200 PolarHBondContact O-N 3.01Å; T198-E201 PolarHBondContact O-N 2.84Å | ||
| 199 | R | 61.7 | Low | 62.3 | Low | 177 Ų | 177 | 133.5 Ų | 133.5 | 67% | 0.668 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.1 | -15.8 | 177.9 | -148.6 | -179.3 | -177.2 | 170.5 | -0.2 | 113.6 | K197 E201 E202 W203 | K197-R199 PolarHBondContact O-N 2.92Å; R199-E201 VanDerWaalsContact C-N 3.35Å; R199-E201 PolarHBondContact O-N 2.93Å; R199-E202 WeakPolarHBondContact O-CB 3.49Å; R199-E202 PolarHBondContact O-N 3.39Å; R199-W203 PolarHBondContact O-N 2.61Å |
| 200 | K | 70.3 | Confident | 62.1 | Low | 147 Ų | 147 | 136.6 Ų | 136.6 | 64% | 0.639 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -52.1 | -44.1 | 173.7 | -172.4 | 178.9 | 177 | -175 | 0 | 113.7 | T198 E202 W203 E204 | T198-K200 PolarHBondContact O-N 3.01Å; K200-E202 VanDerWaalsContact C-N 3.3Å; K200-E202 PolarHBondContact O-N 3.34Å; K200-W203 PolarHBondContact O-N 3.31Å; K200-E204 VanDerWaalsContact O-CB 3.24Å; K200-E204 WeakPolarHBondContact O-CB 3.45Å; K200-E204 PolarHBondContact O-N 3.41Å |
| 201 | E | 64.8 | Low | 62.1 | Low | 133 Ų | 133 | 138.3 Ų | 138.3 | 62% | 0.621 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.1 | -33.6 | -178.6 | -164.7 | 176.2 | -158.8 | 0 | 0 | 111.4 | T198 R199 K205 | T198-E201 PolarHBondContact O-N 2.84Å; R199-E201 VanDerWaalsContact C-N 3.35Å; R199-E201 PolarHBondContact O-N 2.93Å; E201-K205 WeakPolarHBondContact O-CB 3.48Å; E201-K205 PolarHBondContact O-N 2.92Å; E201-K205 VanDerWaalsContact O-N 3.12Å |
| 202 | E | 64.7 | Low | 61.8 | Low | 123 Ų | 123 | 140.7 Ų | 140.7 | 58% | 0.575 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.5 | -42 | 174.3 | -133.2 | -177.8 | -164.2 | 0 | 0 | 111.9 | R199 K200 K205 M206 | R199-E202 WeakPolarHBondContact O-CB 3.49Å; R199-E202 PolarHBondContact O-N 3.39Å; K200-E202 VanDerWaalsContact C-N 3.3Å; K200-E202 PolarHBondContact O-N 3.34Å; E202-K205 PolarHBondContact O-N 2.89Å; E202-M206 PolarHBondContact O-N 2.97Å; E202-M206 VanDerWaalsContact O-N 3.08Å |
| 203 | W | 66.4 | Low | 61.6 | Low | 168 Ų | 168 | 137.1 Ų | 137.1 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.3 | -34.8 | 177.1 | -81.7 | 63.3 | 0 | 0 | 0 | 112.9 | R199 K200 K205 M206 K207 | R199-W203 PolarHBondContact O-N 2.61Å; K200-W203 PolarHBondContact O-N 3.31Å; W203-K205 VanDerWaalsContact C-N 3.34Å; W203-M206 CarbonylContact O-C 3.54Å; W203-M206 PolarHBondContact O-N 3.22Å; W203-K207 WeakPolarHBondContact O-CB 3.45Å; W203-K207 PolarHBondContact O-N 2.9Å |
| 204 | E | 69.9 | Low | 61 | Low | 115 Ų | 115 | 140 Ų | 140 | 54% | 0.537 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.8 | -34.6 | 177.1 | -160.9 | 163.9 | -141.6 | 0 | 0 | 110.8 | K200 K207 | K200-E204 VanDerWaalsContact O-CB 3.24Å; K200-E204 WeakPolarHBondContact O-CB 3.45Å; K200-E204 PolarHBondContact O-N 3.41Å; E204-K207 WeakPolarHBondContact O-CB 3.4Å; E204-K207 PolarHBondContact O-N 3.17Å |
| 205 | K | 65.8 | Low | 60.2 | Low | 112 Ų | 112 | 133.9 Ų | 133.9 | 49% | 0.487 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.9 | -34.8 | 169.7 | -142.4 | -172.7 | 177.8 | -176.7 | 0 | 112.6 | E201 E202 W203 V213 | E201-K205 WeakPolarHBondContact O-CB 3.48Å; E201-K205 PolarHBondContact O-N 2.92Å; E201-K205 VanDerWaalsContact O-N 3.12Å; E202-K205 PolarHBondContact O-N 2.89Å; W203-K205 VanDerWaalsContact C-N 3.34Å; K205-V213 HydrophobicContact CD-CB 4.49Å; K205-V213 HydrophobicContact CD-CG1 4.02Å; K205-V213 HydrophobicContact CD-CG2 3.98Å; K205-V213 HydrophobicContact CG-CG2 3.97Å |
| 206 | M | 62.7 | Low | 59.1 | Low | 104 Ų | 104 | 133.4 Ų | 133.4 | 51% | 0.512 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -77.1 | -22.2 | 172.7 | -74.2 | -166.8 | -178.4 | 0 | 0 | 113.7 | E202 W203 M208 G209 | E202-M206 PolarHBondContact O-N 2.97Å; E202-M206 VanDerWaalsContact O-N 3.08Å; W203-M206 CarbonylContact O-C 3.54Å; W203-M206 PolarHBondContact O-N 3.22Å; M206-M208 VanDerWaalsContact C-N 3.29Å; M206-M208 PolarHBondContact O-N 3.46Å; M206-G209 PolarHBondContact O-N 2.97Å |
| 207 | K | 70.4 | Confident | 58.3 | Low | 178 Ų | 178 | 133.9 Ų | 133.9 | 77% | 0.774 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.4 | -28.8 | 178.3 | -176.1 | -176.4 | 175.3 | -171.6 | 0 | 112.5 | W203 E204 G209 | W203-K207 WeakPolarHBondContact O-CB 3.45Å; W203-K207 PolarHBondContact O-N 2.9Å; E204-K207 WeakPolarHBondContact O-CB 3.4Å; E204-K207 PolarHBondContact O-N 3.17Å; K207-G209 PolarHBondContact O-N 2.86Å |
| 208 | M | 62.3 | Low | 57.3 | Low | 146 Ų | 146 | 133.8 Ų | 133.8 | 72% | 0.719 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 6.4 | 177 | -73.8 | -69.1 | -74.4 | 0 | 0 | 113.7 | M206 F212 | M206-M208 VanDerWaalsContact C-N 3.29Å; M206-M208 PolarHBondContact O-N 3.46Å; M208-F212 WeakPolarHBondContact O-CD2 3.45Å |
| 209 | G | 55.5 | Low | 56.1 | Low | 18 Ų | 18 | 137 Ų | 137 | 19% | 0.186 | 64% | 0.638 | C | S | . | * | trans | 94.4 | 133.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M206 K207 E211 F212 | M206-G209 PolarHBondContact O-N 2.97Å; K207-G209 PolarHBondContact O-N 2.86Å; G209-E211 PolarHBondContact O-N 3.34Å; G209-F212 PolarHBondContact O-N 3.12Å | ||
| 210 | Q | 52.8 | Low | 54.6 | Low | 143 Ų | 143 | 131.9 Ų | 131.9 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -66.6 | -18 | -176.8 | -170.1 | 152.7 | -1.6 | 0 | 0 | 112.2 | F212 | Q210-F212 VanDerWaalsContact C-N 3.34Å; Q210-F212 PolarHBondContact O-N 3.31Å |
| 211 | E | 57.2 | Low | 53.2 | Low | 151 Ų | 151 | 131 Ų | 131 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -72.4 | -13 | 173.4 | 61.7 | -86.8 | 173.3 | 0 | 0 | 115.8 | G209 | G209-E211 PolarHBondContact O-N 3.34Š|
| 212 | F | 51.5 | Low | 51.7 | Low | 156 Ų | 156 | 130.7 Ų | 130.7 | 68% | 0.684 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -103.7 | 5.2 | -179.5 | -69.7 | -80.4 | 0 | 0 | 0 | 114.3 | M208 G209 Q210 E214 | M208-F212 WeakPolarHBondContact O-CD2 3.45Å; G209-F212 PolarHBondContact O-N 3.12Å; Q210-F212 VanDerWaalsContact C-N 3.34Å; Q210-F212 PolarHBondContact O-N 3.31Å; F212-E214 PolarHBondContact O-N 2.82Å |
| 213 | V | 55 | Low | 50.1 | Low | 47 Ų | 47 | 127.7 Ų | 127.7 | 29% | 0.285 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -76 | 93.2 | 168.8 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | K205 S215 | K205-V213 HydrophobicContact CD-CB 4.49Å; K205-V213 HydrophobicContact CD-CG1 4.02Å; K205-V213 HydrophobicContact CD-CG2 3.98Å; K205-V213 HydrophobicContact CG-CG2 3.97Å; V213-S215 PolarHBondContact O-N 3.33Å |
| 214 | E | 47.6 | Very low | 48.7 | Very low | 175 Ų | 175 | 130.3 Ų | 130.3 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | trans | -54.7 | 107.7 | 179.4 | -166 | 164.5 | -149.7 | 0 | 0 | 111 | F212 K216 | F212-E214 PolarHBondContact O-N 2.82Å; E214-K216 VanDerWaalsContact C-N 3.34Å; E214-K216 PolarHBondContact O-N 2.93Å | ||
| 215 | S | 44.1 | Very low | 47.1 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | trans | -68.4 | 91 | 171.7 | -61.9 | 0 | 0 | 0 | 0 | 107.9 | V213 E217 | V213-S215 PolarHBondContact O-N 3.33Å; S215-E217 PolarHBondContact O-N 3.27Å | ||
| 216 | K | 40.7 | Very low | 45.6 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 79% | 0.787 | 70% | 0.7 | S | S | * | * | trans | -74.1 | 77.1 | 167.8 | -166.2 | 169.3 | -175 | 166.2 | 0 | 109.3 | E214 K218 | E214-K216 VanDerWaalsContact C-N 3.34Å; E214-K216 PolarHBondContact O-N 2.93Å; K216-K218 PolarHBondContact O-N 3.06Å | ||
| 217 | E | 37.9 | Very low | 44.2 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | -61.4 | 118.3 | 162 | -172.4 | 172.2 | -177.1 | 0 | 0 | 108.6 | S215 | S215-E217 PolarHBondContact O-N 3.27Š| ||
| 218 | K | 38.7 | Very low | 42.6 | Very low | 177 Ų | 177 | 131 Ų | 131 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | -112.7 | 87.4 | 154.9 | -75.8 | -148.7 | 175.7 | -164.1 | 0 | 108.5 | K216 | K216-K218 PolarHBondContact O-N 3.06Š| ||
| 219 | L | 37.5 | Very low | 41.1 | Very low | 157 Ų | 157 | 131 Ų | 131 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 51.8 | 109.9 | 145.2 | -72.4 | 78.9 | 0 | 0 | 0 | 120.1 | ||
| 220 | G | 29.9 | Very low | 40 | Very low | 70 Ų | 70 | 140.3 Ų | 140.3 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | 138.1 | 133.5 | 145.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 221 | P | 41.5 | Very low | 38.9 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | -104.3 | 154.4 | -134.1 | 37.7 | -32.6 | 0 | 0 | 0 | 116.5 | ||||
| 222 | S | 34.1 | Very low | 37.6 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | 85.5 | 111.9 | 150.1 | -158.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 223 | G | 30.4 | Very low | 36.4 | Very low | 59 Ų | 59 | 137 Ų | 137 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | 121.1 | 83.4 | 129.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 224 | Y | 37.8 | Very low | 35.4 | Very low | 224 Ų | 224 | 140.2 Ų | 140.2 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | trans | 69.7 | 139.7 | 146.8 | -67.3 | -86.8 | 0 | 0 | 0 | 121.5 | ||||
| 225 | P | 35.5 | Very low | 34.6 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | trans | -85.4 | 141.5 | 176 | 34.4 | -32.2 | 0 | 0 | 0 | 112.1 | T227 | P225-T227 PolarHBondContact O-N 2.87Š| ||
| 226 | P | 34.8 | Very low | 34 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -94.7 | 90.2 | 172.1 | 34.6 | -27.4 | 0 | 0 | 0 | 110.3 | ||||
| 227 | T | 33.7 | Very low | 33.4 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -128.4 | 83.9 | 152.9 | 31.4 | 0 | 0 | 0 | 0 | 108.6 | P225 | P225-T227 PolarHBondContact O-N 2.87Š| ||
| 228 | L | 35.2 | Very low | 33 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -138 | 105.6 | 150.3 | -78.4 | 179.9 | 0 | 0 | 0 | 107.6 | Y230 | L228-Y230 PolarHBondContact O-N 2.79Š| ||
| 229 | V | 31.6 | Very low | 32.6 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | trans | -69.5 | 115.2 | 160.6 | 175.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 230 | Y | 32.5 | Very low | 32.2 | Very low | 214 Ų | 214 | 134.5 Ų | 134.5 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -113.2 | 145.8 | 153.3 | -114.6 | -88.3 | 0 | 0 | 0 | 109.4 | L228 | L228-Y230 PolarHBondContact O-N 2.79Š| ||
| 231 | Q | 29.5 | Very low | 32.4 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 73% | 0.729 | 80% | 0.799 | S | S | * | * | trans | -82 | 150.5 | -170.7 | -176.7 | 176.8 | 6.9 | 0 | 0 | 111.4 | ||||
| 232 | N | 30.3 | Very low | 31.8 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | 73.5 | 140.8 | 159.8 | -87.5 | 9.4 | 0 | 0 | 0 | 121.9 | ||||
| 233 | G | 26.8 | Very low | 31.5 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | 104.4 | 120.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 234 | S | 33.8 | Very low | 31.7 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | 46.3 | 120.8 | 79.2 | -148.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 235 | I | 30.3 | Very low | 31.3 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 82% | 0.821 | 79% | 0.791 | S | S | * | * | -171.9 | 157.8 | 58.8 | -34.4 | -177.2 | 0 | 0 | 0 | 106.7 | |||||
| 236 | G | 30.9 | Very low | 31.2 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 58.6 | 130.7 | 132.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 237 | C | 28 | Very low | 31.5 | Very low | 118 Ų | 118 | 137 Ų | 137 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -142.8 | 92.9 | 155.8 | -161.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 238 | V | 30.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | 43.4 | 104.3 | 98.1 | -55.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 239 | E | 29.6 | Very low | 31.7 | Very low | 198 Ų | 198 | 134.6 Ų | 134.6 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 133.6 | 174 | -140.9 | 165.8 | 159.8 | 0 | 0 | 108.8 | ||
| 240 | N | 30.6 | Very low | 32 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 135.4 | 176.3 | -144.7 | -47.8 | 0 | 0 | 0 | 109.6 | ||
| 241 | V | 32.9 | Very low | 32.2 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 134.1 | -171.6 | 32.5 | 0 | 0 | 0 | 0 | 110 | ||
| 242 | D | 29.8 | Very low | 32.3 | Very low | 138 Ų | 138 | 131 Ų | 131 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | 176.3 | 120.3 | 115.9 | -165.6 | 54.2 | 0 | 0 | 0 | 111.6 | |||||
| 243 | A | 27.3 | Very low | 32.3 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -165.4 | 98.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 244 | S | 34.8 | Very low | 32.6 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -79.7 | 130.1 | 170 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 245 | S | 29.8 | Very low | 32.6 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | 167.3 | 105.8 | 132 | -77.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 246 | Y | 33.3 | Very low | 32.5 | Very low | 224 Ų | 224 | 131.2 Ų | 131.2 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | trans | 53.8 | 158.3 | 144.8 | -81.8 | -94.8 | 0 | 0 | 0 | 122.9 | ||||
| 247 | P | 40.9 | Very low | 32.7 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 69% | 0.688 | 81% | 0.811 | S | S | * | * | -124.4 | 169.9 | -53.8 | 31.7 | -13.5 | 0 | 0 | 0 | 113.2 | |||||
| 248 | P | 37.7 | Very low | 33.3 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 153 | 173.7 | 35.5 | -30.3 | 0 | 0 | 0 | 114.1 | ||
| 249 | P | 35.7 | Very low | 33.2 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 166.7 | 172.5 | 35.8 | -32.3 | 0 | 0 | 0 | 112.6 | ||
| 250 | P | 38.3 | Very low | 33.7 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 151 | -152 | 33.8 | -33.9 | 0 | 0 | 0 | 114.5 | ||
| 251 | Q | 34.9 | Very low | 33.8 | Very low | 191 Ų | 191 | 126.9 Ų | 126.9 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 145.3 | 170.3 | -63.8 | -170.9 | -54.8 | 0 | 0 | 110.9 | ||
| 252 | S | 33.1 | Very low | 33.8 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 131.9 | 165.8 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 253 | D | 29.1 | Very low | 34 | Very low | 156 Ų | 156 | 128.6 Ų | 128.6 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61 | 145.4 | 174.3 | -69 | -62.3 | 0 | 0 | 0 | 113.7 | ||
| 254 | S | 33.8 | Very low | 34.2 | Very low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | 179.5 | 109 | 118.4 | -81.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 255 | A | 32.9 | Very low | 34.4 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | 27.9 | 125.1 | 134.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 256 | S | 29 | Very low | 34.9 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | -158.3 | 142.6 | 128.4 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 257 | S | 34.3 | Very low | 35.2 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -75.3 | 179.5 | -160.4 | -53.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 258 | P | 40.7 | Very low | 35.4 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -112.7 | 171 | -145.1 | 43.8 | -38.5 | 0 | 0 | 0 | 119.3 | ||||
| 259 | S | 28.3 | Very low | 36.1 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | 81.8 | 153.8 | 150.3 | -56.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 260 | P | 40.9 | Very low | 36.7 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | cis | -130 | 167.9 | 9.2 | 38.3 | -19.8 | 0 | 0 | 0 | 117.2 | ||||
| 261 | S | 33.5 | Very low | 36.9 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -70 | 139.2 | 172.4 | -167.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 262 | F | 31.2 | Very low | 37 | Very low | 191 Ų | 191 | 130.4 Ų | 130.4 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -124.6 | 127.1 | 161.5 | -142.8 | -91 | 0 | 0 | 0 | 108.8 | ||||
| 263 | S | 35.1 | Very low | 37 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -82.7 | 131.6 | 179.7 | -44.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 264 | E | 31.9 | Very low | 37.1 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -130.9 | 77.8 | 169.5 | -155.4 | 142.8 | 106.5 | 0 | 0 | 108.8 | ||||
| 265 | D | 37.9 | Very low | 36.8 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -104.7 | 138.9 | 159.9 | -167.7 | -115 | 0 | 0 | 0 | 106.3 | ||||
| 266 | N | 41.3 | Very low | 36.8 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | 101.8 | 78.8 | 169.9 | -151.6 | 16.4 | 0 | 0 | 0 | 117.9 | ||||
| 267 | L | 38.4 | Very low | 37.3 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -147.9 | 146.5 | 139.5 | -77.3 | -172.6 | 0 | 0 | 0 | 112.2 | ||||
| 268 | P | 45.4 | Very low | 37.1 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 164.5 | -159.3 | 36.2 | -35.7 | 0 | 0 | 0 | 116.1 | ||
| 269 | P | 53.4 | Low | 36.5 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 155.2 | -177 | 31.9 | -35.3 | 0 | 0 | 0 | 114.6 | ||
| 270 | P | 46.9 | Very low | 36.6 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 155.4 | 178.7 | 31.7 | -34.7 | 0 | 0 | 0 | 113.4 | ||
| 271 | P | 41.9 | Very low | 36.2 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 153.1 | -162.9 | 33.8 | -34.8 | 0 | 0 | 0 | 114.5 | ||
| 272 | A | 38.8 | Very low | 36.1 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 125.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 273 | E | 31.5 | Very low | 36 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -141.4 | 141 | 164.1 | -67.7 | -164 | 170.7 | 0 | 0 | 112.2 | ||||
| 274 | F | 32 | Very low | 35.7 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 68% | 0.684 | 81% | 0.814 | S | S | * | * | trans | 79.7 | 82.8 | 172.8 | -65.8 | -86.7 | 0 | 0 | 0 | 119.2 | Y276 | F274-Y276 HydrophobicContact CD1-CD2 4.17Å; F274-Y276 AromaticContact CD1-CE2 3.63Å; F274-Y276 HydrophobicContact CD1-CE2 3.63Å; F274-Y276 AromaticContact CE1-CE2 3.73Å; F274-Y276 HydrophobicContact CE1-CE2 3.73Å | ||
| 275 | S | 27.4 | Very low | 35.6 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -135.5 | 120.9 | 146.4 | -89 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 276 | Y | 32.1 | Very low | 35.3 | Very low | 193 Ų | 193 | 140.9 Ų | 140.9 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | trans | -115.8 | 159.9 | 170.4 | -70.2 | -68.5 | 0 | 0 | 0 | 109.1 | F274 | F274-Y276 HydrophobicContact CD1-CD2 4.17Å; F274-Y276 AromaticContact CD1-CE2 3.63Å; F274-Y276 HydrophobicContact CD1-CE2 3.63Å; F274-Y276 AromaticContact CE1-CE2 3.73Å; F274-Y276 HydrophobicContact CE1-CE2 3.73Å | ||
| 277 | P | 40 | Very low | 34.9 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | -95.9 | 164.6 | -128 | 35.6 | -36.9 | 0 | 0 | 0 | 115.7 | |||||
| 278 | V | 29.8 | Very low | 34.5 | Very low | 134 Ų | 134 | 134 Ų | 134 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -48.4 | 132.1 | 163.3 | 139.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 279 | D | 29.3 | Very low | 34.6 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -141.2 | 117.9 | 149.6 | -127.1 | -38.5 | 0 | 0 | 0 | 108.3 | ||||
| 280 | N | 30.3 | Very low | 33.5 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -121.6 | 100.9 | -174 | -152.2 | 22.8 | 0 | 0 | 0 | 107.8 | ||||
| 281 | Q | 32.5 | Very low | 32.7 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -125 | 104.4 | 168.1 | -82.4 | -169.5 | 78.6 | 0 | 0 | 110.7 | ||||
| 282 | R | 30.8 | Very low | 32.1 | Very low | 242 Ų | 242 | 143.3 Ų | 143.3 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | 53.7 | 117.2 | 124.1 | -148 | -178.5 | -142.5 | -108.8 | 3.8 | 117.8 | |||||
| 283 | G | 28.5 | Very low | 31.8 | Very low | 79 Ų | 79 | 143 Ų | 143 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 162.4 | 100.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 284 | S | 30.1 | Very low | 32 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | trans | -73.2 | 150.6 | 175.8 | -164.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 285 | G | 29.6 | Very low | 32.1 | Very low | 65 Ų | 65 | 140.8 Ų | 140.8 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | trans | 155.2 | 93.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 286 | L | 31.9 | Very low | 32.3 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | 52 | 134.4 | 129.1 | -75.1 | 152.9 | 0 | 0 | 0 | 123.6 | |||||
| 287 | A | 32.6 | Very low | 32.6 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | 80.9 | 120.9 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 288 | G | 30.3 | Very low | 32.5 | Very low | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | -76.7 | -165.9 | 154 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 289 | P | 47 | Very low | 32.8 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | cis | -123.2 | 171.3 | -14.7 | 37.1 | -21.5 | 0 | 0 | 0 | 112.1 | ||||
| 290 | K | 29.8 | Very low | 33.8 | Very low | 197 Ų | 197 | 135.9 Ų | 135.9 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | 156.2 | 131.4 | 137.9 | -85.2 | 172.6 | -171.1 | -170.7 | 0 | 114.1 | ||||
| 291 | R | 31.4 | Very low | 34.9 | Very low | 236 Ų | 236 | 134.1 Ų | 134.1 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | 20.1 | 146.9 | 141.5 | -68.9 | -177.9 | 162 | -131.4 | -3.5 | 122.3 | ||||
| 292 | S | 29.2 | Very low | 35.3 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 72.3 | 153.1 | 159.3 | 80.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 293 | S | 31.1 | Very low | 36 | Very low | 93 Ų | 93 | 125 Ų | 125 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | cis | 179.5 | 146.6 | -13.3 | 172.4 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 294 | V | 36.3 | Very low | 37.2 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | 42.5 | 117.9 | 162.2 | -65.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 295 | V | 33.5 | Very low | 37.8 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | -165.3 | 136.9 | 123 | 118.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 296 | S | 32.2 | Very low | 38.2 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | trans | -76.4 | 148.6 | 174.6 | -167.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 297 | P | 38.5 | Very low | 38.3 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -105.7 | 113.3 | 148.8 | -11.4 | 30.1 | 0 | 0 | 0 | 111.8 | H299 | P297-H299 PolarHBondContact O-N 2.87Š| ||
| 298 | S | 37.4 | Very low | 38.5 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -58.3 | 120.1 | 168.8 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 299 | H | 37.2 | Very low | 39.2 | Very low | 183 Ų | 183 | 130.3 Ų | 130.3 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -177.6 | 126.1 | 137.2 | -110.3 | -82.8 | 0 | 0 | 0 | 110.4 | P297 | P297-H299 PolarHBondContact O-N 2.87Š| ||
| 300 | P | 49.5 | Very low | 38.6 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82 | 146.1 | 171.1 | 31.7 | -31.1 | 0 | 0 | 0 | 111.3 | ||
| 301 | P | 52.7 | Low | 38.8 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 152.4 | 167.6 | 29.5 | -32.7 | 0 | 0 | 0 | 111.1 | ||
| 302 | P | 42.7 | Very low | 39.4 | Very low | 127 Ų | 127 | 119 Ų | 119 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 141.4 | -173.3 | 28.9 | -33 | 0 | 0 | 0 | 112.4 | ||
| 303 | A | 45.3 | Very low | 39.8 | Very low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 146.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 304 | P | 52 | Low | 40.2 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 151.2 | 174.1 | 30.3 | -32.7 | 0 | 0 | 0 | 111.5 | ||
| 305 | P | 42.7 | Very low | 40.1 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 132.3 | -170.7 | 28.9 | -32.9 | 0 | 0 | 0 | 112.8 | ||
| 306 | L | 39 | Very low | 40.5 | Very low | 180 Ų | 180 | 124.9 Ų | 124.9 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -89 | 123.8 | 163 | -99.5 | 124.3 | 0 | 0 | 0 | 109.8 | ||
| 307 | G | 34.1 | Very low | 41.2 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -157.2 | 107 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 308 | S | 36.5 | Very low | 42.1 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -81.7 | 167.9 | 166 | -60.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 309 | P | 44.7 | Very low | 42.9 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | cis | -152.1 | 172.2 | 40.4 | 39.1 | -15 | 0 | 0 | 0 | 119.9 | ||||
| 310 | A | 34.8 | Very low | 43.5 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | 48.5 | 115.4 | 147 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 311 | G | 34.5 | Very low | 44.1 | Very low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | 179.6 | 149.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 312 | P | 43.1 | Very low | 44.5 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 150.5 | -142.2 | 33.7 | -35.3 | 0 | 0 | 0 | 116 | ||
| 313 | K | 38.9 | Very low | 45.3 | Very low | 206 Ų | 206 | 120.5 Ų | 120.5 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59 | 136.2 | 174.2 | -65 | 176 | 175.3 | 173.9 | 0 | 112.8 | ||
| 314 | P | 38.1 | Very low | 46.2 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -95 | 140.3 | 149.9 | 0.2 | 19.6 | 0 | 0 | 0 | 110.6 | ||
| 315 | G | 35.4 | Very low | 46.6 | Very low | 80 Ų | 80 | 121.7 Ų | 121.7 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 137.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 316 | F | 40.2 | Very low | 47.5 | Very low | 209 Ų | 209 | 121 Ų | 121 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -78 | 112 | 153.4 | -88.4 | -94.3 | 0 | 0 | 0 | 108.3 | ||||
| 317 | A | 47.2 | Very low | 48.6 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77 | 135.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 318 | P | 58.3 | Low | 49.2 | Very low | 113 Ų | 113 | 119 Ų | 119 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 156.2 | 170.1 | 29.6 | -32.1 | 0 | 0 | 0 | 110.8 | ||
| 319 | P | 53.3 | Low | 49.7 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 150.6 | -180 | 27.5 | -34.3 | 0 | 0 | 0 | 111.5 | ||
| 320 | P | 50.4 | Low | 49.9 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 139.2 | -178.4 | 27.5 | -32.3 | 0 | 0 | 0 | 111.3 | ||
| 321 | A | 61.5 | Low | 50.8 | Low | 91 Ų | 91 | 122.3 Ų | 122.3 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 151.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 322 | P | 62 | Low | 51.2 | Low | 115 Ų | 115 | 126.3 Ų | 126.3 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 152.5 | 174.7 | 27.3 | -33.8 | 0 | 0 | 0 | 111.6 | ||
| 323 | P | 59.4 | Low | 51.5 | Low | 119 Ų | 119 | 125.9 Ų | 125.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 148.7 | -177.9 | 26.6 | -33.9 | 0 | 0 | 0 | 112 | ||
| 324 | P | 63.2 | Low | 51.9 | Low | 115 Ų | 115 | 121.3 Ų | 121.3 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 150.4 | -180 | 28 | -33.9 | 0 | 0 | 0 | 112 | ||
| 325 | P | 60.7 | Low | 52.6 | Low | 116 Ų | 116 | 121 Ų | 121 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 149.7 | 175.3 | 27.5 | -33.5 | 0 | 0 | 0 | 111.5 | ||
| 326 | P | 62.7 | Low | 53.9 | Low | 116 Ų | 116 | 123 Ų | 123 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 149.7 | -179.9 | 26.6 | -33.4 | 0 | 0 | 0 | 112 | ||
| 327 | P | 62.3 | Low | 54.8 | Low | 100 Ų | 100 | 118.6 Ų | 118.6 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 148.4 | -178.9 | 27.3 | -33.3 | 0 | 0 | 0 | 111.6 | M329 | P327-M329 PolarHBondContact O-N 3.12Š|
| 328 | P | 46.7 | Very low | 54.6 | Low | 118 Ų | 118 | 120.4 Ų | 120.4 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -68 | 117.6 | -178.2 | 26.5 | -31.3 | 0 | 0 | 0 | 110.4 | I330 | P328-I330 PolarHBondContact O-N 3.06Å; P328-I330 VanDerWaalsContact O-N 3.13Å |
| 329 | M | 45.9 | Very low | 54 | Low | 175 Ų | 175 | 122.3 Ų | 122.3 | 86% | 0.862 | 78% | 0.779 | S | S | * | * | trans | -67.5 | 106.1 | 168.2 | -72.1 | -79.7 | 114.2 | 0 | 0 | 108.7 | P327 | P327-M329 PolarHBondContact O-N 3.12Š| ||
| 330 | I | 48.2 | Very low | 53.7 | Low | 171 Ų | 171 | 119.4 Ų | 119.4 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -71.3 | 124.3 | 168 | -69.4 | 162 | 0 | 0 | 0 | 107.8 | P328 | P328-I330 PolarHBondContact O-N 3.06Å; P328-I330 VanDerWaalsContact O-N 3.13Å | ||
| 331 | G | 54.7 | Low | 52.9 | Low | 65 Ų | 65 | 123.8 Ų | 123.8 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | 120.4 | 38.1 | 153 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 332 | I | 43.9 | Very low | 51.8 | Low | 157 Ų | 157 | 122.9 Ų | 122.9 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | -132.7 | 125 | 160.5 | -52.9 | 175.7 | 0 | 0 | 0 | 109 | ||||
| 333 | P | 47.9 | Very low | 50.8 | Low | 121 Ų | 121 | 122.9 Ų | 122.9 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 135.7 | 178 | 28.3 | -31.9 | 0 | 0 | 0 | 111.2 | ||
| 334 | S | 48.8 | Very low | 49.9 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 147.7 | 176.1 | -39.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 335 | P | 52 | Low | 48.8 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 152.6 | 173.4 | 30.9 | -33.1 | 0 | 0 | 0 | 111.1 | ||
| 336 | P | 61.7 | Low | 48.1 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 145.8 | -179.6 | 28.5 | -33.5 | 0 | 0 | 0 | 111.9 | ||
| 337 | P | 59 | Low | 47.5 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 152.1 | 179.6 | 31 | -33.7 | 0 | 0 | 0 | 112.4 | ||
| 338 | P | 44 | Very low | 47 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 142.9 | 170.4 | 30 | -31.2 | 0 | 0 | 0 | 110.5 | ||
| 339 | V | 45.5 | Very low | 47.2 | Very low | 154 Ų | 154 | 123.4 Ų | 123.4 | 93% | 0.933 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -68.3 | 127.9 | 179 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 340 | G | 46.2 | Very low | 47.4 | Very low | 57 Ų | 57 | 121.1 Ų | 121.1 | 59% | 0.588 | 79% | 0.791 | S | S | * | * | trans | 114 | 90 | 157.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 341 | F | 35.1 | Very low | 47.5 | Very low | 219 Ų | 219 | 118.4 Ų | 118.4 | 96% | 0.961 | 79% | 0.788 | S | S | * | * | trans | -159.6 | 128.9 | 141.1 | -108.6 | -80.6 | 0 | 0 | 0 | 108.2 | ||||
| 342 | G | 37.8 | Very low | 47.3 | Very low | 72 Ų | 72 | 120.9 Ų | 120.9 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 163.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 343 | S | 41.5 | Very low | 47.2 | Very low | 116 Ų | 116 | 118.3 Ų | 118.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 155.1 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 114.9 | G345 | S343-G345 PolarHBondContact O-N 3.19Š|
| 344 | P | 40.9 | Very low | 46.9 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 117.8 | -176.8 | 29.1 | -32.5 | 0 | 0 | 0 | 111.3 | ||
| 345 | G | 39.2 | Very low | 46.9 | Very low | 73 Ų | 73 | 121.8 Ų | 121.8 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 138.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S343 | S343-G345 PolarHBondContact O-N 3.19Š|
| 346 | T | 46.1 | Very low | 46.4 | Very low | 135 Ų | 135 | 121.5 Ų | 121.5 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 146.7 | 169.3 | 37.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 347 | P | 49.8 | Very low | 45.7 | Very low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 150.5 | 176.7 | 29.8 | -33.7 | 0 | 0 | 0 | 111.8 | ||
| 348 | P | 51.2 | Low | 44.7 | Very low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 153.5 | 178.9 | 30.9 | -33.8 | 0 | 0 | 0 | 111.8 | ||
| 349 | P | 52.5 | Low | 45 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 156.3 | 177.3 | 30.7 | -34.2 | 0 | 0 | 0 | 112.1 | ||
| 350 | P | 49.2 | Very low | 45.1 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 143.8 | 179.8 | 29.1 | -33.6 | 0 | 0 | 0 | 112.4 | ||
| 351 | S | 50.8 | Low | 44.9 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 144.1 | 177.4 | -50 | 0 | 0 | 0 | 0 | 112.7 | ||
| 352 | P | 49.6 | Very low | 45.5 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 156 | 176.5 | 30.9 | -33.3 | 0 | 0 | 0 | 112.5 | ||
| 353 | P | 42.1 | Very low | 46.1 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 136.2 | -178.7 | 27.6 | -32.5 | 0 | 0 | 0 | 112.5 | F355 | P353-F355 HydrophobicContact CG-CE2 4.2Å; P353-F355 PolarHBondContact O-N 3.25Å |
| 354 | S | 42.6 | Very low | 46.8 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 121.5 | 172.3 | -76.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 355 | F | 47.3 | Very low | 47.7 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 77% | 0.772 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 149.9 | 165.4 | -76.1 | -83.2 | 0 | 0 | 0 | 110.6 | P353 | P353-F355 HydrophobicContact CG-CE2 4.2Å; P353-F355 PolarHBondContact O-N 3.25Å |
| 356 | P | 43.1 | Very low | 48.5 | Very low | 110 Ų | 110 | 128 Ų | 128 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -72 | 153.3 | 176.9 | 31.3 | -33.1 | 0 | 0 | 0 | 111.3 | H358 | P356-H358 PolarHBondContact O-N 2.85Š|
| 357 | P | 45.6 | Very low | 49.1 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 125.8 | -167.9 | 31 | -32 | 0 | 0 | 0 | 111.8 | ||
| 358 | H | 37.6 | Very low | 49.6 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -101 | 145.1 | 162.2 | -108 | -84.5 | 0 | 0 | 0 | 109.4 | P356 D360 | P356-H358 PolarHBondContact O-N 2.85Å; H358-D360 PolarHBondContact O-N 3.09Å |
| 359 | P | 52.3 | Low | 49.8 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -100 | 55.6 | -156.8 | 40.1 | -35.6 | 0 | 0 | 0 | 113.6 | ||
| 360 | D | 46.3 | Very low | 50 | Low | 155 Ų | 155 | 127.3 Ų | 127.3 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -155.5 | 29.9 | 177.3 | -88.2 | -42.9 | 0 | 0 | 0 | 116.2 | H358 | H358-D360 PolarHBondContact O-N 3.09Š| ||
| 361 | F | 42 | Very low | 49.9 | Very low | 208 Ų | 208 | 127 Ų | 127 | 91% | 0.912 | 78% | 0.784 | S | S | * | * | trans | -134.7 | 108 | 169.9 | -112.7 | -96.1 | 0 | 0 | 0 | 111.4 | A363 | F361-A363 PolarHBondContact O-N 3.24Š| ||
| 362 | A | 48.2 | Very low | 49.3 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 121 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 363 | A | 49.5 | Very low | 48.9 | Very low | 89 Ų | 89 | 126 Ų | 126 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 144.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F361 | F361-A363 PolarHBondContact O-N 3.24Š|
| 364 | P | 56.1 | Low | 48.9 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 151.6 | 177 | 29.3 | -33.2 | 0 | 0 | 0 | 111.6 | ||
| 365 | P | 59.8 | Low | 48.7 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 149.8 | -177.6 | 27.7 | -34 | 0 | 0 | 0 | 112.3 | ||
| 366 | P | 56.7 | Low | 48.4 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 152.6 | 179.5 | 28.4 | -34.3 | 0 | 0 | 0 | 112.3 | ||
| 367 | P | 58.2 | Low | 48.1 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 152.5 | 178 | 28.4 | -33.8 | 0 | 0 | 0 | 112.4 | ||
| 368 | P | 60.6 | Low | 48 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 152.3 | -179.3 | 28.4 | -34.3 | 0 | 0 | 0 | 112.6 | ||
| 369 | P | 56.3 | Low | 48.9 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 150.7 | 177.9 | 28.5 | -33.8 | 0 | 0 | 0 | 112.1 | ||
| 370 | P | 55.4 | Low | 49 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 151.4 | 178.4 | 28.5 | -33.8 | 0 | 0 | 0 | 112.2 | ||
| 371 | P | 47.6 | Very low | 49.2 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 138.5 | -178.9 | 26.7 | -32.7 | 0 | 0 | 0 | 111.8 | T373 | P371-T373 PolarHBondContact O-N 3.21Š|
| 372 | A | 38.7 | Very low | 49.5 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 118.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 373 | T | 41.1 | Very low | 49.2 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 117.8 | 166 | 38.2 | 0 | 0 | 0 | 0 | 109.8 | P371 Y375 | P371-T373 PolarHBondContact O-N 3.21Å; T373-Y375 PolarHBondContact O-N 3.14Å |
| 374 | D | 42.1 | Very low | 48.9 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 121.9 | 167.5 | -80.7 | -57.8 | 0 | 0 | 0 | 111.2 | ||
| 375 | Y | 38.5 | Very low | 48.1 | Very low | 198 Ų | 198 | 131.7 Ų | 131.7 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -114.6 | 132.4 | 162.2 | -82 | -86.4 | 0 | 0 | 0 | 109 | T373 T377 | T373-Y375 PolarHBondContact O-N 3.14Å; Y375-T377 PolarHBondContact O-N 3.22Å | ||
| 376 | P | 40.6 | Very low | 47.2 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 122.8 | 177 | 25.7 | -30.9 | 0 | 0 | 0 | 111.1 | L378 | P376-L378 PolarHBondContact O-N 3.04Š|
| 377 | T | 37 | Very low | 46.5 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 116 | 172 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | Y375 | Y375-T377 PolarHBondContact O-N 3.22Š|
| 378 | L | 43.5 | Very low | 45.6 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 139.5 | 163.1 | -75.5 | 167.7 | 0 | 0 | 0 | 109.7 | P376 | P376-L378 PolarHBondContact O-N 3.04Š|
| 379 | P | 56.8 | Low | 44.7 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 150.4 | 178.7 | 30.6 | -32.4 | 0 | 0 | 0 | 111.4 | ||
| 380 | P | 53.2 | Low | 44.5 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 154.1 | 177.5 | 29.2 | -33.5 | 0 | 0 | 0 | 112 | ||
| 381 | P | 50.5 | Low | 44.6 | Very low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 151.2 | 178.2 | 29.8 | -33.7 | 0 | 0 | 0 | 111.8 | L383 | P381-L383 PolarHBondContact O-N 3.42Š|
| 382 | P | 48.4 | Very low | 45.4 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 125.3 | -178 | 28.2 | -32.4 | 0 | 0 | 0 | 111.4 | ||
| 383 | L | 43.3 | Very low | 47 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 127.6 | 167.7 | -81.8 | 158.5 | 0 | 0 | 0 | 109.8 | P381 Q385 | P381-L383 PolarHBondContact O-N 3.42Å; L383-Q385 PolarHBondContact O-N 3.3Å |
| 384 | S | 41.8 | Very low | 48.3 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 126.8 | 174.6 | -49.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 385 | Q | 40.1 | Very low | 49.7 | Very low | 189 Ų | 189 | 126.1 Ų | 126.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 136.8 | 168.6 | -71.3 | 176.2 | -47 | 0 | 0 | 111 | L383 | L383-Q385 PolarHBondContact O-N 3.3Š|
| 386 | P | 41.6 | Very low | 51.3 | Low | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 130.7 | 143.7 | 9.6 | 9.1 | 0 | 0 | 0 | 108.9 | ||
| 387 | T | 40.3 | Very low | 52.8 | Low | 138 Ų | 138 | 121.8 Ų | 121.8 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 129.7 | 173.8 | 46.7 | 0 | 0 | 0 | 0 | 113 | ||
| 388 | G | 41.1 | Very low | 54.3 | Low | 84 Ų | 84 | 120.7 Ų | 120.7 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 53.8 | 106.8 | 134 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 389 | G | 40.7 | Very low | 55.7 | Low | 75 Ų | 75 | 118.5 Ų | 118.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 161.3 | 104.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 390 | A | 52.3 | Low | 56.2 | Low | 96 Ų | 96 | 119.4 Ų | 119.4 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 137.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 391 | P | 57.1 | Low | 56.7 | Low | 116 Ų | 116 | 116.8 Ų | 116.8 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142.1 | 171.1 | 26.8 | -32 | 0 | 0 | 0 | 109.6 | ||
| 392 | P | 65.3 | Low | 57.5 | Low | 114 Ų | 114 | 117.1 Ų | 117.1 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 148.3 | 177.1 | 26.2 | -33.3 | 0 | 0 | 0 | 110.6 | ||
| 393 | P | 71.2 | Confident | 58.3 | Low | 114 Ų | 114 | 116.5 Ų | 116.5 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 148.9 | 176 | 26.2 | -33.9 | 0 | 0 | 0 | 110.7 | ||
| 394 | P | 69.6 | Low | 58.8 | Low | 114 Ų | 114 | 114 Ų | 114 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 147.4 | 174.1 | 26 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 395 | P | 70.4 | Confident | 59.6 | Low | 115 Ų | 115 | 113.6 Ų | 113.6 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 146.3 | 176.3 | 25.8 | -33.2 | 0 | 0 | 0 | 110.5 | ||
| 396 | P | 72.6 | Confident | 59.9 | Low | 113 Ų | 113 | 109.9 Ų | 109.9 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 148.2 | 175.3 | 26.1 | -33.2 | 0 | 0 | 0 | 110.4 | ||
| 397 | P | 71.1 | Confident | 59.7 | Low | 114 Ų | 114 | 114.4 Ų | 114.4 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 145.4 | 174.5 | 25.6 | -33.2 | 0 | 0 | 0 | 110.3 | ||
| 398 | P | 69.1 | Low | 59.5 | Low | 116 Ų | 116 | 113.8 Ų | 113.8 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 146.4 | 175 | 25.6 | -33 | 0 | 0 | 0 | 110.1 | ||
| 399 | P | 72.4 | Confident | 59.2 | Low | 112 Ų | 112 | 113.4 Ų | 113.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 149.2 | 177.1 | 24.8 | -32.8 | 0 | 0 | 0 | 110.5 | G401 | P399-G401 PolarHBondContact O-N 3.15Š|
| 400 | P | 67.8 | Low | 58.8 | Low | 128 Ų | 128 | 114.6 Ų | 114.6 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 128.3 | 174 | -21.1 | 30.7 | 0 | 0 | 0 | 110 | ||
| 401 | G | 64.2 | Low | 57.9 | Low | 61 Ų | 61 | 118.4 Ų | 118.4 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 152 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | P399 | P399-G401 PolarHBondContact O-N 3.15Š|
| 402 | P | 67.9 | Low | 56.8 | Low | 121 Ų | 121 | 116 Ų | 116 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 146.4 | 177.6 | 25 | -32.8 | 0 | 0 | 0 | 110.5 | ||
| 403 | P | 63.3 | Low | 55.3 | Low | 115 Ų | 115 | 119.7 Ų | 119.7 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 148.8 | 178.2 | 26 | -33.5 | 0 | 0 | 0 | 110.4 | ||
| 404 | P | 55.7 | Low | 53.8 | Low | 117 Ų | 117 | 119.8 Ų | 119.8 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 141.3 | 176 | 25.7 | -33 | 0 | 0 | 0 | 110 | ||
| 405 | P | 58 | Low | 51.9 | Low | 111 Ų | 111 | 119.2 Ų | 119.2 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 146.2 | 176.3 | 26.8 | -32.5 | 0 | 0 | 0 | 110.2 | F407 | P405-F407 PolarHBondContact O-N 3.15Š|
| 406 | P | 46.8 | Very low | 50.3 | Low | 110 Ų | 110 | 120.1 Ų | 120.1 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 127.1 | 176.9 | 26.1 | -31.3 | 0 | 0 | 0 | 109.9 | T408 | P406-T408 VanDerWaalsContact C-N 3.3Å; P406-T408 PolarHBondContact O-N 2.91Å |
| 407 | F | 36.1 | Very low | 48.8 | Very low | 219 Ų | 219 | 120.1 Ų | 120.1 | 96% | 0.961 | 78% | 0.781 | S | S | * | * | trans | -69.4 | 89.7 | 165.8 | -96.8 | -89.1 | 0 | 0 | 0 | 108.8 | P405 | P405-F407 PolarHBondContact O-N 3.15Š| ||
| 408 | T | 35.9 | Very low | 47.4 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -91.7 | 104.7 | 162.4 | 51 | 0 | 0 | 0 | 0 | 108.2 | P406 | P406-T408 VanDerWaalsContact C-N 3.3Å; P406-T408 PolarHBondContact O-N 2.91Å | ||
| 409 | G | 35.3 | Very low | 46.6 | Very low | 77 Ų | 77 | 120 Ų | 120 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -72 | 129.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 410 | A | 33.4 | Very low | 44.6 | Very low | 99 Ų | 99 | 122.6 Ų | 122.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 175.2 | 89.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 411 | D | 33.1 | Very low | 42.9 | Very low | 176 Ų | 176 | 121.3 Ų | 121.3 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | trans | -77.7 | 123.7 | 164.8 | -98.6 | -50.1 | 0 | 0 | 0 | 110 | ||||
| 412 | G | 32.9 | Very low | 41.3 | Very low | 66 Ų | 66 | 125.4 Ų | 125.4 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | 83.4 | 83 | 126.2 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 413 | Q | 35.2 | Very low | 39.5 | Very low | 192 Ų | 192 | 125.6 Ų | 125.6 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 125.2 | 149.1 | -144.7 | -167 | -57.4 | 0 | 0 | 108.6 | ||
| 414 | P | 39.4 | Very low | 38.2 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 145.1 | 165.9 | -0.8 | 20.4 | 0 | 0 | 0 | 111.9 | ||
| 415 | A | 29 | Very low | 37.2 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74 | 151.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 416 | V | 36.6 | Very low | 36.3 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 145.4 | 172.4 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | ||
| 417 | P | 41.2 | Very low | 35.7 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | -154.5 | -165 | 69.6 | 39.7 | -15.6 | 0 | 0 | 0 | 114.8 | |||||
| 418 | P | 41.4 | Very low | 35.6 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | cis | -126.1 | -172.2 | -9.2 | 20.5 | 7 | 0 | 0 | 0 | 114.1 | ||||
| 419 | P | 52.5 | Low | 35.6 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | trans | -106.3 | -174.9 | -162.1 | 40.4 | -31.4 | 0 | 0 | 0 | 116.3 | ||||
| 420 | L | 30.4 | Very low | 35.7 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | 98.7 | 134.1 | 173.1 | -54.4 | 165.4 | 0 | 0 | 0 | 112.9 | ||||
| 421 | S | 32.9 | Very low | 36.1 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | cis | -171.8 | 151 | 18.3 | 33.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 422 | D | 29.3 | Very low | 36.4 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | 54.3 | 115.2 | 142.5 | -76.4 | -29.2 | 0 | 0 | 0 | 123.6 | ||||
| 423 | T | 31.6 | Very low | 36.9 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | 150 | 133.2 | 106.4 | 47.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 424 | T | 34.5 | Very low | 37.7 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | 81.4 | 111.6 | 152 | 59.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 425 | K | 35.9 | Very low | 38.8 | Very low | 202 Ų | 202 | 132 Ų | 132 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -67.2 | 163.2 | 159.8 | -84.6 | 177.3 | -176.9 | 174.1 | 0 | 111 | ||||
| 426 | P | 38.1 | Very low | 40.7 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | cis | -151.5 | 167.7 | 49.8 | 38 | -14.4 | 0 | 0 | 0 | 120.7 | ||||
| 427 | K | 35.8 | Very low | 42 | Very low | 210 Ų | 210 | 133.2 Ų | 133.2 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | -7.9 | 131.5 | 163.7 | -68.9 | 172.6 | 173.7 | 172.7 | 0 | 119.8 | ||||
| 428 | S | 33.1 | Very low | 43.5 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | -160.5 | 144 | 123.6 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 429 | S | 37.1 | Very low | 45 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -97.9 | 130.4 | -177.9 | 50 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 430 | L | 37.2 | Very low | 46 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | trans | -167 | 153.9 | 148.7 | -91.9 | -173.6 | 0 | 0 | 0 | 109.4 | ||||
| 431 | P | 40.5 | Very low | 48.2 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | trans | -78 | 145 | -160.2 | 32 | -33.7 | 0 | 0 | 0 | 112.9 | V433 | P431-V433 PolarHBondContact O-N 3.19Š| ||
| 432 | A | 39.6 | Very low | 50.1 | Low | 103 Ų | 103 | 124.3 Ų | 124.3 | 85% | 0.851 | 72% | 0.718 | S | S | * | * | trans | -66.4 | 119.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | S434 | A432-S434 PolarHBondContact O-N 2.73Å; A432-S434 VanDerWaalsContact O-N 3.16Å | ||
| 433 | V | 43.7 | Very low | 52.1 | Low | 140 Ų | 140 | 119.9 Ų | 119.9 | 85% | 0.848 | 70% | 0.702 | S | S | * | * | trans | -59.6 | 112.1 | 170 | -156.1 | 0 | 0 | 0 | 0 | 106.9 | P431 D435 | P431-V433 PolarHBondContact O-N 3.19Å; V433-D435 PolarHBondContact O-N 3.28Å; V433-D435 VanDerWaalsContact O-N 3.09Å | ||
| 434 | S | 52.6 | Low | 54.1 | Low | 108 Ų | 108 | 119.3 Ų | 119.3 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | trans | -62.9 | 112.3 | 172.2 | 49.3 | 0 | 0 | 0 | 0 | 108 | A432 A436 | A432-S434 PolarHBondContact O-N 2.73Å; A432-S434 VanDerWaalsContact O-N 3.16Å; S434-A436 PolarHBondContact O-N 3.23Å | ||
| 435 | D | 61.1 | Low | 56 | Low | 109 Ų | 109 | 122.8 Ų | 122.8 | 58% | 0.583 | 69% | 0.691 | S | S | * | * | trans | -58.5 | 117 | -176.6 | -165.6 | -8.3 | 0 | 0 | 0 | 109.3 | V433 R437 S438 D439 | V433-D435 PolarHBondContact O-N 3.28Å; V433-D435 VanDerWaalsContact O-N 3.09Å; D435-R437 PolarHBondContact O-N 3.34Å; D435-S438 WeakPolarHBondContact O-CA 3.46Å; D435-S438 WeakPolarHBondContact O-CB 3.3Å; D435-S438 PolarHBondContact O-N 3.14Å; D435-D439 PolarHBondContact O-N 2.85Å | ||
| 436 | A | 69.2 | Low | 57.8 | Low | 79 Ų | 79 | 120.7 Ų | 120.7 | 65% | 0.653 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -53.7 | -23.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S434 L440 | S434-A436 PolarHBondContact O-N 3.23Å; A436-L440 WeakPolarHBondContact O-CB 3.35Å; A436-L440 PolarHBondContact O-N 3.19Å |
| 437 | R | 63.7 | Low | 59.1 | Low | 183 Ų | 183 | 116.8 Ų | 116.8 | 69% | 0.691 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.2 | -38.5 | 173.4 | -169.9 | 177.7 | -178.1 | 177.5 | 1.1 | 113.1 | D435 D439 L441 | D435-R437 PolarHBondContact O-N 3.34Å; R437-D439 VanDerWaalsContact C-N 3.34Å; R437-L441 HydrophobicContact CG-CD1 4.34Å; R437-L441 WeakPolarHBondContact O-CB 3.05Å; R437-L441 WeakPolarHBondContact O-CG 3.33Å; R437-L441 PolarHBondContact O-N 2.89Å |
| 438 | S | 73.8 | Confident | 60.6 | Low | 78 Ų | 78 | 115.9 Ų | 115.9 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -66.6 | -40.9 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | D435 L441 S442 | D435-S438 WeakPolarHBondContact O-CA 3.46Å; D435-S438 WeakPolarHBondContact O-CB 3.3Å; D435-S438 PolarHBondContact O-N 3.14Å; S438-L441 PolarHBondContact O-N 3.49Å; S438-S442 PolarHBondContact O-N 2.9Å; S438-S442 PolarHBondContact O-OG 2.88Å |
| 439 | D | 72.5 | Confident | 61.6 | Low | 118 Ų | 118 | 118.2 Ų | 118.2 | 63% | 0.631 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.3 | -40.2 | -179 | -157.5 | 30.8 | 0 | 0 | 0 | 111.8 | D435 R437 L441 S442 A443 | D435-D439 PolarHBondContact O-N 2.85Å; R437-D439 VanDerWaalsContact C-N 3.34Å; D439-L441 PolarHBondContact O-N 3.32Å; D439-S442 VanDerWaalsContact CA-OG 3.26Å; D439-S442 WeakPolarHBondContact CA-OG 3.47Å; D439-S442 PolarHBondContact O-N 3.35Å; D439-S442 PolarHBondContact O-OG 3.4Å; D439-A443 WeakPolarHBondContact O-CB 3.34Å; D439-A443 PolarHBondContact O-N 2.88Å |
| 440 | L | 72.8 | Confident | 62.4 | Low | 107 Ų | 107 | 120.3 Ų | 120.3 | 56% | 0.56 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -60.9 | -43 | 171.1 | 179.8 | 63.3 | 0 | 0 | 0 | 111.9 | A436 S442 A443 I444 | A436-L440 WeakPolarHBondContact O-CB 3.35Å; A436-L440 PolarHBondContact O-N 3.19Å; L440-S442 VanDerWaalsContact C-N 3.34Å; L440-S442 PolarHBondContact O-N 3.22Å; L440-A443 PolarHBondContact O-N 3.35Å; L440-I444 HydrophobicContact CD1-CD1 4.2Å; L440-I444 HydrophobicContact CD1-CG1 4.41Å; L440-I444 HydrophobicContact CG-CD1 3.93Å; L440-I444 VanDerWaalsContact O-CG1 3.24Å; L440-I444 WeakPolarHBondContact O-CG1 3.35Å; L440-I444 PolarHBondContact O-N 2.85Å |
| 441 | L | 76.9 | Confident | 63.5 | Low | 80 Ų | 80 | 123.2 Ų | 123.2 | 42% | 0.419 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -68.7 | -32.5 | 178.9 | -72.5 | 171.1 | 0 | 0 | 0 | 112.2 | R437 S438 D439 I444 R445 | R437-L441 HydrophobicContact CG-CD1 4.34Å; R437-L441 WeakPolarHBondContact O-CB 3.05Å; R437-L441 WeakPolarHBondContact O-CG 3.33Å; R437-L441 PolarHBondContact O-N 2.89Å; S438-L441 PolarHBondContact O-N 3.49Å; D439-L441 PolarHBondContact O-N 3.32Å; L441-I444 HydrophobicContact CD2-CD1 4.48Å; L441-R445 WeakPolarHBondContact O-CB 3.49Å; L441-R445 WeakPolarHBondContact O-CD 3.28Å; L441-R445 WeakPolarHBondContact O-CG 3.49Å; L441-R445 PolarHBondContact O-N 3.42Å; L441-R445 VanDerWaalsContact O-N 3.14Å |
| 442 | S | 73.3 | Confident | 64.4 | Low | 38 Ų | 38 | 130 Ų | 130 | 27% | 0.266 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -69.2 | -39.3 | 169.3 | 34.6 | 0 | 0 | 0 | 0 | 112.6 | S438 D439 L440 R445 Q446 | S438-S442 PolarHBondContact O-N 2.9Å; S438-S442 PolarHBondContact O-OG 2.88Å; D439-S442 VanDerWaalsContact CA-OG 3.26Å; D439-S442 WeakPolarHBondContact CA-OG 3.47Å; D439-S442 PolarHBondContact O-N 3.35Å; D439-S442 PolarHBondContact O-OG 3.4Å; L440-S442 VanDerWaalsContact C-N 3.34Å; L440-S442 PolarHBondContact O-N 3.22Å; S442-R445 PolarHBondContact O-N 2.83Å; S442-Q446 WeakPolarHBondContact O-CB 3.31Å; S442-Q446 WeakPolarHBondContact O-CG 3.3Å; S442-Q446 PolarHBondContact O-N 3.27Å |
| 443 | A | 72.5 | Confident | 64.6 | Low | 55 Ų | 55 | 131.4 Ų | 131.4 | 46% | 0.455 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -65.1 | -38.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D439 L440 R445 Q446 G447 | D439-A443 WeakPolarHBondContact O-CB 3.34Å; D439-A443 PolarHBondContact O-N 2.88Å; L440-A443 PolarHBondContact O-N 3.35Å; A443-R445 VanDerWaalsContact C-N 3.35Å; A443-Q446 PolarHBondContact O-N 2.88Å; A443-G447 PolarHBondContact O-N 2.91Å; A443-G447 VanDerWaalsContact O-N 3.15Å |
| 444 | I | 71.8 | Confident | 64.7 | Low | 112 Ų | 112 | 133.3 Ų | 133.3 | 57% | 0.574 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -64.6 | -40.3 | 173.5 | -68.2 | 164.8 | 0 | 0 | 0 | 110.8 | L440 L441 | L440-I444 HydrophobicContact CD1-CD1 4.2Å; L440-I444 HydrophobicContact CD1-CG1 4.41Å; L440-I444 HydrophobicContact CG-CD1 3.93Å; L440-I444 VanDerWaalsContact O-CG1 3.24Å; L440-I444 WeakPolarHBondContact O-CG1 3.35Å; L440-I444 PolarHBondContact O-N 2.85Å; L441-I444 HydrophobicContact CD2-CD1 4.48Å |
| 445 | R | 74.6 | Confident | 64.3 | Low | 213 Ų | 213 | 135 Ų | 135 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.5 | -33 | 178.6 | -73.4 | 168.9 | -171.5 | -99.3 | 2.8 | 113.1 | L441 S442 A443 | L441-R445 WeakPolarHBondContact O-CB 3.49Å; L441-R445 WeakPolarHBondContact O-CD 3.28Å; L441-R445 WeakPolarHBondContact O-CG 3.49Å; L441-R445 PolarHBondContact O-N 3.42Å; L441-R445 VanDerWaalsContact O-N 3.14Å; S442-R445 PolarHBondContact O-N 2.83Å; A443-R445 VanDerWaalsContact C-N 3.35Å |
| 446 | Q | 75.1 | Confident | 63.2 | Low | 159 Ų | 159 | 138.5 Ų | 138.5 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -75.1 | -28.2 | 178.1 | -74.8 | 174.4 | 18.7 | 0 | 0 | 112.3 | S442 A443 | S442-Q446 WeakPolarHBondContact O-CB 3.31Å; S442-Q446 WeakPolarHBondContact O-CG 3.3Å; S442-Q446 PolarHBondContact O-N 3.27Å; A443-Q446 PolarHBondContact O-N 2.88Å |
| 447 | G | 64.3 | Low | 62 | Low | 42 Ų | 42 | 141.3 Ų | 141.3 | 43% | 0.433 | 67% | 0.672 | S | S | . | * | trans | 72.1 | 146.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | A443 | A443-G447 PolarHBondContact O-N 2.91Å; A443-G447 VanDerWaalsContact O-N 3.15Å | ||
| 448 | F | 66.6 | Low | 60.9 | Low | 191 Ų | 191 | 141.5 Ų | 141.5 | 84% | 0.838 | 68% | 0.68 | S | S | * | * | trans | -101.4 | 117.8 | 178.5 | -138.8 | -89.8 | 0 | 0 | 0 | 109.5 | L450 | F448-L450 PolarHBondContact O-N 3.16Š| ||
| 449 | Q | 55.5 | Low | 59.3 | Low | 175 Ų | 175 | 144.8 Ų | 144.8 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -71 | 100.1 | 166.2 | -97.5 | 74.4 | 40 | 0 | 0 | 109.1 | R451 | Q449-R451 PolarHBondContact O-N 2.83Š| ||
| 450 | L | 53.1 | Low | 57.6 | Low | 153 Ų | 153 | 145.3 Ų | 145.3 | 80% | 0.801 | 69% | 0.686 | S | S | * | * | trans | -65.1 | 129.7 | 168.9 | -65.7 | 168.7 | 0 | 0 | 0 | 109 | F448 R452 | F448-L450 PolarHBondContact O-N 3.16Å; L450-R452 PolarHBondContact O-N 2.7Å | ||
| 451 | R | 60.3 | Low | 56 | Low | 234 Ų | 234 | 148.9 Ų | 148.9 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | trans | -58.8 | 135.5 | 167.1 | -87.7 | -171.9 | -136.3 | 126.2 | 3.9 | 108.4 | Q449 V453 | Q449-R451 PolarHBondContact O-N 2.83Å; R451-V453 PolarHBondContact O-N 2.89Å | ||
| 452 | R | 59.2 | Low | 54.3 | Low | 252 Ų | 252 | 153.4 Ų | 153.4 | 95% | 0.951 | 71% | 0.708 | S | S | * | * | trans | -54.3 | 112.3 | 167.4 | -92.9 | -176 | 178.4 | 145.2 | -0.4 | 108.2 | L450 E454 | L450-R452 PolarHBondContact O-N 2.7Å; R452-E454 PolarHBondContact O-N 3.36Å | ||
| 453 | V | 44.7 | Very low | 53 | Low | 134 Ų | 134 | 159 Ų | 159 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | trans | -70.8 | 118.6 | 165 | 175.6 | 0 | 0 | 0 | 0 | 105.6 | R451 E455 | R451-V453 PolarHBondContact O-N 2.89Å; V453-E455 PolarHBondContact O-N 2.94Å; V453-E455 VanDerWaalsContact O-N 3.16Å | ||
| 454 | E | 44.8 | Very low | 51.7 | Low | 180 Ų | 180 | 160.5 Ų | 160.5 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | trans | -62.1 | 113 | 165.4 | -168.4 | 166.8 | -157.8 | 0 | 0 | 106.4 | R452 Q456 | R452-E454 PolarHBondContact O-N 3.36Å; E454-Q456 VanDerWaalsContact C-N 3.29Å; E454-Q456 PolarHBondContact O-N 3.45Å | ||
| 455 | E | 44.1 | Very low | 51 | Low | 143 Ų | 143 | 160.4 Ų | 160.4 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | trans | -60.9 | 95.3 | 175.5 | -175.2 | -170.8 | 163.4 | 0 | 0 | 107.3 | V453 R457 | V453-E455 PolarHBondContact O-N 2.94Å; V453-E455 VanDerWaalsContact O-N 3.16Å; E455-R457 HydrophobicContact CG-CG 4.11Å; E455-R457 PolarHBondContact O-N 3.49Å; E455-R457 WeakPolarHBondContact OE1-CG 3.46Å; E455-R457 IonicContact OE1-NE 3.8Å; E455-R457 PolarHBondContact OE1-NE 2.89Å | ||
| 456 | Q | 38.4 | Very low | 50.2 | Low | 183 Ų | 183 | 151.3 Ų | 151.3 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | trans | -68.5 | 83.3 | 167.3 | -168.9 | 173.2 | 47.8 | 0 | 0 | 106.4 | E454 E458 | E454-Q456 VanDerWaalsContact C-N 3.29Å; E454-Q456 PolarHBondContact O-N 3.45Å; Q456-E458 VanDerWaalsContact C-N 3.3Å; Q456-E458 PolarHBondContact O-N 2.89Å | ||
| 457 | R | 44 | Very low | 50.1 | Low | 138 Ų | 138 | 147.5 Ų | 147.5 | 52% | 0.521 | 70% | 0.7 | S | S | . | * | trans | -58.9 | 101.1 | 165.3 | -85 | -172.6 | 175.1 | -173.8 | -2 | 106.5 | E455 Q459 | E455-R457 HydrophobicContact CG-CG 4.11Å; E455-R457 PolarHBondContact O-N 3.49Å; E455-R457 WeakPolarHBondContact OE1-CG 3.46Å; E455-R457 IonicContact OE1-NE 3.8Å; E455-R457 PolarHBondContact OE1-NE 2.89Å; R457-Q459 VanDerWaalsContact C-N 3.31Å; R457-Q459 PolarHBondContact O-N 3.48Å | ||
| 458 | E | 39.9 | Very low | 50.9 | Low | 186 Ų | 186 | 149.8 Ų | 149.8 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | trans | -52.3 | 104 | 161 | -118.5 | -179.2 | 162.5 | 0 | 0 | 106.5 | Q456 E460 | Q456-E458 VanDerWaalsContact C-N 3.3Å; Q456-E458 PolarHBondContact O-N 2.89Å; E458-E460 PolarHBondContact O-N 3.31Å | ||
| 459 | Q | 40.2 | Very low | 51.6 | Low | 147 Ų | 147 | 143 Ų | 143 | 69% | 0.687 | 68% | 0.676 | S | S | * | * | trans | -71.8 | 83.8 | 171.8 | -173.3 | 159.3 | 36.2 | 0 | 0 | 106.4 | R457 K461 | R457-Q459 VanDerWaalsContact C-N 3.31Å; R457-Q459 PolarHBondContact O-N 3.48Å; Q459-K461 HydrophobicContact CG-CG 4.24Å; Q459-K461 PolarHBondContact O-N 2.93Å | ||
| 460 | E | 36.8 | Very low | 52.8 | Low | 129 Ų | 129 | 135.6 Ų | 135.6 | 60% | 0.603 | 65% | 0.645 | S | S | * | * | trans | -63.6 | 89.3 | 164 | -161.7 | -176.8 | -177.1 | 0 | 0 | 106.4 | E458 R462 | E458-E460 PolarHBondContact O-N 3.31Å; E460-R462 HydrophobicContact CG-CB 4.32Å; E460-R462 HydrophobicContact CG-CG 4.32Å; E460-R462 PolarHBondContact O-N 3.28Å; E460-R462 WeakPolarHBondContact OE1-CD 3.24Å; E460-R462 IonicContact OE1-CZ 3.06Å; E460-R462 IonicContact OE1-NH1 2.84Å; E460-R462 PolarHBondContact OE1-NH1 3.37Å | ||
| 461 | K | 40.8 | Very low | 54.3 | Low | 182 Ų | 182 | 130.4 Ų | 130.4 | 79% | 0.791 | 62% | 0.62 | S | S | * | * | trans | -68.1 | 66.8 | 158.2 | -77.6 | -170.2 | 177 | -174.6 | 0 | 108 | Q459 | Q459-K461 HydrophobicContact CG-CG 4.24Å; Q459-K461 PolarHBondContact O-N 2.93Å | ||
| 462 | R | 40 | Very low | 55.3 | Low | 175 Ų | 175 | 123.5 Ų | 123.5 | 66% | 0.66 | 60% | 0.6 | S | S | * | * | trans | -97 | 115.7 | 144.1 | -85.4 | -171.1 | 167.2 | 110.4 | -5.4 | 105.4 | E460 V464 | E460-R462 HydrophobicContact CG-CB 4.32Å; E460-R462 HydrophobicContact CG-CG 4.32Å; E460-R462 PolarHBondContact O-N 3.28Å; E460-R462 WeakPolarHBondContact OE1-CD 3.24Å; E460-R462 IonicContact OE1-CZ 3.06Å; E460-R462 IonicContact OE1-NH1 2.84Å; E460-R462 PolarHBondContact OE1-NH1 3.37Å; R462-V464 HydrophobicContact CB-CG2 3.53Å; R462-V464 HydrophobicContact CG-CG2 4.47Å; R462-V464 PolarHBondContact O-N 3.22Å | ||
| 463 | D | 46.8 | Very low | 56.4 | Low | 156 Ų | 156 | 113.1 Ų | 113.1 | 83% | 0.834 | 56% | 0.563 | S | S | * | * | trans | -60.4 | 73.5 | 146.8 | -74.3 | -59.4 | 0 | 0 | 0 | 106.8 | V465 | D463-V465 PolarHBondContact O-N 3.41Š| ||
| 464 | V | 44.5 | Very low | 58.1 | Low | 86 Ų | 86 | 109 Ų | 109 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | trans | -66.2 | 100.2 | 162.8 | 179.1 | 0 | 0 | 0 | 0 | 103 | R462 G466 | R462-V464 HydrophobicContact CB-CG2 3.53Å; R462-V464 HydrophobicContact CG-CG2 4.47Å; R462-V464 PolarHBondContact O-N 3.22Å; V464-G466 PolarHBondContact O-N 2.68Å | ||
| 465 | V | 57.8 | Low | 59.8 | Low | 111 Ų | 111 | 107.2 Ų | 107.2 | 67% | 0.673 | 53% | 0.526 | S | S | * | . | trans | -69.4 | 64.7 | 164.6 | -176.8 | 0 | 0 | 0 | 0 | 106.6 | D463 | D463-V465 PolarHBondContact O-N 3.41Š| ||
| 466 | G | 58.1 | Low | 61.6 | Low | 21 Ų | 21 | 108.9 Ų | 108.9 | 22% | 0.216 | 53% | 0.526 | C | S | . | . | trans | -90.4 | 130.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | V464 D468 T471 | V464-G466 PolarHBondContact O-N 2.68Å; G466-D468 PolarHBondContact O-N 2.99Å; G466-D468 VanDerWaalsContact O-N 3.07Å; G466-T471 WeakPolarHBondContact O-CB 3.46Å; G466-T471 WeakPolarHBondContact O-CG2 3.45Å | ||
| 467 | N | 72.6 | Confident | 63.6 | Low | 79 Ų | 79 | 100.8 Ų | 100.8 | 42% | 0.422 | 49% | 0.488 | S | S | . | . | trans | -78.2 | 27.3 | 170.9 | -71.4 | 28.6 | 0 | 0 | 0 | 111.4 | Q106 I472 | Q106-N467 PolarHBondContact NE2-ND2 3.03Å; Q106-N467 PolarHBondContact OE1-ND2 3.18Å; N467-I472 WeakPolarHBondContact O-CD1 3.28Å | ||
| 468 | D | 81.3 | Confident | 65 | Low | 90 Ų | 90 | 96.5 Ų | 96.5 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | trans | -74.3 | 149.1 | 176.7 | 179.1 | 51.6 | 0 | 0 | 0 | 110.7 | G466 A470 T471 I472 | G466-D468 PolarHBondContact O-N 2.99Å; G466-D468 VanDerWaalsContact O-N 3.07Å; D468-A470 VanDerWaalsContact C-N 3.26Å; D468-A470 PolarHBondContact O-N 3.4Å; D468-A470 VanDerWaalsContact OD2-CB 3.32Å; D468-A470 WeakPolarHBondContact OD2-CB 3.24Å; D468-A470 PolarHBondContact OD2-N 3.38Å; D468-A470 VanDerWaalsContact OD2-N 3.14Å; D468-T471 PolarHBondContact O-N 3.47Å; D468-T471 VanDerWaalsContact O-N 3.12Å; D468-I472 WeakPolarHBondContact O-CG1 3.49Å; D468-I472 PolarHBondContact O-N 2.96Å | ||
| 469 | V | 80.1 | Confident | 66.8 | Low | 48 Ų | 48 | 92 Ų | 92 | 29% | 0.291 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.7 | -36.9 | -175.4 | -177 | 0 | 0 | 0 | 0 | 110.8 | W160 I472 L473 | W160-V469 HydrophobicContact CH2-CB 3.65Å; W160-V469 HydrophobicContact CH2-CG1 3.54Å; W160-V469 HydrophobicContact CZ3-CB 4.24Å; W160-V469 HydrophobicContact CZ3-CG1 3.7Å; V469-I472 PolarHBondContact O-N 3.06Å; V469-L473 HydrophobicContact CG1-CD1 3.95Å; V469-L473 HydrophobicContact CG1-CG 4.47Å; V469-L473 WeakPolarHBondContact O-CB 3.41Å; V469-L473 WeakPolarHBondContact O-CD1 3.47Å; V469-L473 VanDerWaalsContact O-CG 3.23Å; V469-L473 WeakPolarHBondContact O-CG 3.45Å; V469-L473 PolarHBondContact O-N 3.15Å |
| 470 | A | 81.9 | Confident | 68.1 | Low | 20 Ų | 20 | 91.1 Ų | 91.1 | 17% | 0.165 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W160 M164 D468 L473 S474 | W160-A470 HydrophobicContact CZ2-CB 4.13Å; M164-A470 HydrophobicContact CG-CB 4.5Å; M164-A470 HydrophobicContact SD-CB 4.1Å; D468-A470 VanDerWaalsContact C-N 3.26Å; D468-A470 PolarHBondContact O-N 3.4Å; D468-A470 VanDerWaalsContact OD2-CB 3.32Å; D468-A470 WeakPolarHBondContact OD2-CB 3.24Å; D468-A470 PolarHBondContact OD2-N 3.38Å; D468-A470 VanDerWaalsContact OD2-N 3.14Å; A470-L473 PolarHBondContact O-N 3.44Å; A470-S474 WeakPolarHBondContact O-CB 3.4Å; A470-S474 PolarHBondContact O-N 3.14Å; A470-S474 PolarHBondContact O-OG 2.89Å |
| 471 | T | 82.8 | Confident | 69.2 | Low | 44 Ų | 44 | 89.2 Ų | 89.2 | 27% | 0.27 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 177.6 | -50.8 | 0 | 0 | 0 | 0 | 111.6 | G466 D468 S474 R475 | G466-T471 WeakPolarHBondContact O-CB 3.46Å; G466-T471 WeakPolarHBondContact O-CG2 3.45Å; D468-T471 PolarHBondContact O-N 3.47Å; D468-T471 VanDerWaalsContact O-N 3.12Å; T471-S474 PolarHBondContact O-N 3.16Å; T471-R475 WeakPolarHBondContact O-CB 3.18Å; T471-R475 PolarHBondContact O-N 3.43Å |
| 472 | I | 82.6 | Confident | 70 | Confident | 90 Ų | 90 | 85.3 Ų | 85.3 | 46% | 0.462 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.3 | -47.2 | 176.7 | -66.4 | 165.3 | 0 | 0 | 0 | 110.6 | N467 D468 V469 S474 R475 R476 | N467-I472 WeakPolarHBondContact O-CD1 3.28Å; D468-I472 WeakPolarHBondContact O-CG1 3.49Å; D468-I472 PolarHBondContact O-N 2.96Å; V469-I472 PolarHBondContact O-N 3.06Å; I472-S474 VanDerWaalsContact C-N 3.35Å; I472-S474 PolarHBondContact O-N 3.48Å; I472-R475 PolarHBondContact O-N 3.24Å; I472-R476 WeakPolarHBondContact O-CB 3.36Å; I472-R476 PolarHBondContact O-N 3.3Å |
| 473 | L | 81.4 | Confident | 70.3 | Confident | 34 Ų | 34 | 84.1 Ų | 84.1 | 18% | 0.178 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58 | -48.3 | 175.9 | -74.1 | 162.5 | 0 | 0 | 0 | 110.9 | W160 M164 L165 V469 A470 R475 R476 I477 | W160-L473 HydrophobicContact CH2-CD1 4.26Å; W160-L473 HydrophobicContact CZ3-CD1 4.34Å; M164-L473 HydrophobicContact CB-CD1 4.33Å; L165-L473 HydrophobicContact CD1-CD2 3.63Å; V469-L473 HydrophobicContact CG1-CD1 3.95Å; V469-L473 HydrophobicContact CG1-CG 4.47Å; V469-L473 WeakPolarHBondContact O-CB 3.41Å; V469-L473 WeakPolarHBondContact O-CD1 3.47Å; V469-L473 VanDerWaalsContact O-CG 3.23Å; V469-L473 WeakPolarHBondContact O-CG 3.45Å; V469-L473 PolarHBondContact O-N 3.15Å; A470-L473 PolarHBondContact O-N 3.44Å; L473-R475 VanDerWaalsContact C-N 3.34Å; L473-R475 PolarHBondContact O-N 2.9Å; L473-R476 PolarHBondContact O-N 2.96Å; L473-I477 WeakPolarHBondContact O-CG1 3.22Å; L473-I477 PolarHBondContact O-N 3.23Å; L473-I477 VanDerWaalsContact O-N 3.09Å |
| 474 | S | 80.3 | Confident | 70.3 | Confident | 48 Ų | 48 | 80.3 Ų | 80.3 | 34% | 0.336 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.2 | -47 | 177.7 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | T168 A470 T471 I472 A478 | T168-S474 PolarHBondContact OG1-OG 2.89Å; A470-S474 WeakPolarHBondContact O-CB 3.4Å; A470-S474 PolarHBondContact O-N 3.14Å; A470-S474 PolarHBondContact O-OG 2.89Å; T471-S474 PolarHBondContact O-N 3.16Å; I472-S474 VanDerWaalsContact C-N 3.35Å; I472-S474 PolarHBondContact O-N 3.48Å; S474-A478 WeakPolarHBondContact O-CB 3.45Å; S474-A478 PolarHBondContact O-N 3.5Å; S474-A478 VanDerWaalsContact O-N 3.08Å |
| 475 | R | 82.1 | Confident | 70.5 | Confident | 141 Ų | 141 | 82.1 Ų | 82.1 | 53% | 0.532 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 179.2 | -176 | -176.2 | -66 | -120.3 | -1.3 | 112 | T471 I472 L473 A478 V479 | T471-R475 WeakPolarHBondContact O-CB 3.18Å; T471-R475 PolarHBondContact O-N 3.43Å; I472-R475 PolarHBondContact O-N 3.24Å; L473-R475 VanDerWaalsContact C-N 3.34Å; L473-R475 PolarHBondContact O-N 2.9Å; R475-A478 PolarHBondContact O-N 3.25Å; R475-V479 WeakPolarHBondContact O-CG2 3.5Å; R475-V479 PolarHBondContact O-N 3.04Å; R475-V479 VanDerWaalsContact O-N 3.13Å |
| 476 | R | 81.6 | Confident | 69.7 | Low | 179 Ų | 179 | 84.1 Ų | 84.1 | 68% | 0.675 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.3 | -44.9 | -176.7 | -173.4 | 65.3 | -178.9 | -171 | 3.1 | 111.7 | I472 L473 V479 E480 | I472-R476 WeakPolarHBondContact O-CB 3.36Å; I472-R476 PolarHBondContact O-N 3.3Å; L473-R476 PolarHBondContact O-N 2.96Å; R476-V479 PolarHBondContact O-N 3.48Å; R476-E480 PolarHBondContact O-N 2.79Å; R476-E480 VanDerWaalsContact O-N 3.09Å |
| 477 | I | 79.8 | Confident | 69.1 | Low | 13 Ų | 13 | 90.6 Ų | 90.6 | 7% | 0.067 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 176.6 | -66.1 | 167.4 | 0 | 0 | 0 | 110.3 | L165 T168 L473 V479 E480 Y481 | L165-I477 HydrophobicContact CD1-CD1 3.54Å; L165-I477 HydrophobicContact CG-CD1 3.65Å; T168-I477 HydrophobicContact CG2-CB 3.95Å; T168-I477 HydrophobicContact CG2-CD1 3.85Å; T168-I477 HydrophobicContact CG2-CG2 3.91Å; L473-I477 WeakPolarHBondContact O-CG1 3.22Å; L473-I477 PolarHBondContact O-N 3.23Å; L473-I477 VanDerWaalsContact O-N 3.09Å; I477-V479 PolarHBondContact O-N 3.26Å; I477-E480 PolarHBondContact O-N 2.81Å; I477-Y481 HydrophobicContact CG2-CD2 3.71Å; I477-Y481 HydrophobicContact CG2-CE2 3.86Å; I477-Y481 WeakPolarHBondContact O-CD2 3.26Å; I477-Y481 PolarHBondContact O-N 2.99Å; I477-Y481 VanDerWaalsContact O-N 3.14Å |
| 478 | A | 73.4 | Confident | 67.9 | Low | 47 Ų | 47 | 92.1 Ų | 92.1 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -35.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | S474 R475 S482 | S474-A478 WeakPolarHBondContact O-CB 3.45Å; S474-A478 PolarHBondContact O-N 3.5Å; S474-A478 VanDerWaalsContact O-N 3.08Å; R475-A478 PolarHBondContact O-N 3.25Å; A478-S482 VanDerWaalsContact O-CB 3.28Å; A478-S482 WeakPolarHBondContact O-CB 3.35Å; A478-S482 PolarHBondContact O-N 2.95Å; A478-S482 PolarHBondContact O-OG 3.33Å |
| 479 | V | 76.9 | Confident | 66.3 | Low | 93 Ų | 93 | 93.3 Ų | 93.3 | 56% | 0.564 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.9 | -46.9 | 176.3 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | R475 R476 I477 Y481 S482 | R475-V479 WeakPolarHBondContact O-CG2 3.5Å; R475-V479 PolarHBondContact O-N 3.04Å; R475-V479 VanDerWaalsContact O-N 3.13Å; R476-V479 PolarHBondContact O-N 3.48Å; I477-V479 PolarHBondContact O-N 3.26Å; V479-Y481 VanDerWaalsContact C-N 3.33Å; V479-Y481 PolarHBondContact O-N 3.05Å; V479-S482 PolarHBondContact O-N 3.19Å |
| 480 | E | 67.8 | Low | 64.6 | Low | 127 Ų | 127 | 100 Ų | 100 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -34.2 | -175.3 | -167.8 | 168.9 | -172.4 | 0 | 0 | 113.2 | R476 I477 | R476-E480 PolarHBondContact O-N 2.79Å; R476-E480 VanDerWaalsContact O-N 3.09Å; I477-E480 PolarHBondContact O-N 2.81Å |
| 481 | Y | 59.7 | Low | 62.4 | Low | 90 Ų | 90 | 108.2 Ų | 108.2 | 35% | 0.353 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.3 | -5.4 | 176.6 | -74 | -86.7 | 0 | 0 | 0 | 114.4 | M172 R176 I477 V479 | M172-Y481 HydrophobicContact CE-CD1 4.06Å; M172-Y481 HydrophobicContact CE-CD2 3.9Å; M172-Y481 HydrophobicContact CE-CG 3.62Å; M172-Y481 HydrophobicContact SD-CG 4.34Å; R176-Y481 PolarHBondContact NH2-O 3.43Å; R176-Y481 VanDerWaalsContact NH2-O 3.17Å; I477-Y481 HydrophobicContact CG2-CD2 3.71Å; I477-Y481 HydrophobicContact CG2-CE2 3.86Å; I477-Y481 WeakPolarHBondContact O-CD2 3.26Å; I477-Y481 PolarHBondContact O-N 2.99Å; I477-Y481 VanDerWaalsContact O-N 3.14Å; V479-Y481 VanDerWaalsContact C-N 3.33Å; V479-Y481 PolarHBondContact O-N 3.05Å |
| 482 | S | 57.5 | Low | 60.6 | Low | 100 Ų | 100 | 113 Ų | 113 | 70% | 0.699 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -22.3 | 174.1 | -106.2 | 0 | 0 | 0 | 0 | 112.7 | A478 V479 | A478-S482 VanDerWaalsContact O-CB 3.28Å; A478-S482 WeakPolarHBondContact O-CB 3.35Å; A478-S482 PolarHBondContact O-N 2.95Å; A478-S482 PolarHBondContact O-OG 3.33Å; V479-S482 PolarHBondContact O-N 3.19Å |
| 483 | D | 47.4 | Very low | 58.9 | Low | 150 Ų | 150 | 117 Ų | 117 | 80% | 0.802 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -96.8 | -14 | -175 | -142.5 | 14.5 | 0 | 0 | 0 | 113 | ||
| 484 | S | 47.3 | Very low | 57.4 | Low | 76 Ų | 76 | 121.8 Ų | 121.8 | 53% | 0.531 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -100.8 | 6.7 | -170.2 | 69.3 | 0 | 0 | 0 | 0 | 116 | ||
| 485 | E | 47.7 | Very low | 55.8 | Low | 123 Ų | 123 | 126.8 Ų | 126.8 | 58% | 0.575 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -137.6 | 20.3 | -174.2 | -67.2 | -169.7 | 131 | 0 | 0 | 115.3 | R176 | R176-E485 IonicContact CZ-OE2 3.27Å; R176-E485 IonicContact NH1-OE2 3.01Å; R176-E485 PolarHBondContact NH1-OE2 2.95Å; R176-E485 IonicContact NH2-OE2 2.91Å; R176-E485 PolarHBondContact NH2-OE2 3.09Å |
| 486 | D | 42.3 | Very low | 54.3 | Low | 154 Ų | 154 | 131 Ų | 131 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -100.5 | -0.7 | 171.2 | -151.7 | 39.9 | 0 | 0 | 0 | 113.6 | ||
| 487 | D | 44.4 | Very low | 52.4 | Low | 157 Ų | 157 | 128.2 Ų | 128.2 | 84% | 0.84 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -118.7 | 28.8 | -173.3 | -160.6 | 28.5 | 0 | 0 | 0 | 113.6 | ||
| 488 | S | 47.3 | Very low | 50.7 | Low | 110 Ų | 110 | 138.8 Ų | 138.8 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -140.7 | 26.9 | -177.9 | -50.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 489 | S | 47.6 | Very low | 49.5 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -137.7 | 43.2 | 173.1 | 73.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 490 | E | 44.5 | Very low | 48.1 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -138.7 | 72.2 | 168.6 | -160.7 | 173.9 | -159.5 | 0 | 0 | 109.8 | ||||
| 491 | F | 36.2 | Very low | 47 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -148.2 | 91.2 | 145.4 | -134.8 | -94 | 0 | 0 | 0 | 106.9 | E493 | F491-E493 PolarHBondContact O-N 3.16Š| ||
| 492 | D | 44.3 | Very low | 46.2 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -68.7 | 111.8 | 169.7 | -148.1 | 12.3 | 0 | 0 | 0 | 106.3 | D494 | D492-D494 VanDerWaalsContact C-N 3.31Å; D492-D494 PolarHBondContact O-N 3.26Å; D492-D494 VanDerWaalsContact O-N 3.12Å | ||
| 493 | E | 47.3 | Very low | 45.5 | Very low | 175 Ų | 175 | 153.6 Ų | 153.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -81.8 | 78.5 | 176.7 | -57.9 | -175.6 | -151.8 | 0 | 0 | 108.7 | F491 | F491-E493 PolarHBondContact O-N 3.16Š| ||
| 494 | D | 49.1 | Very low | 45.4 | Very low | 135 Ų | 135 | 153.9 Ų | 153.9 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -139.8 | 86 | 169.8 | -92.3 | -48.8 | 0 | 0 | 0 | 109.6 | D492 | D492-D494 VanDerWaalsContact C-N 3.31Å; D492-D494 PolarHBondContact O-N 3.26Å; D492-D494 VanDerWaalsContact O-N 3.12Å | ||
| 495 | D | 48.5 | Very low | 45.3 | Very low | 153 Ų | 153 | 159.4 Ų | 159.4 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -133.7 | 102.2 | 159.1 | -157.8 | 29.2 | 0 | 0 | 0 | 111.2 | ||||
| 496 | W | 50.7 | Low | 45.1 | Very low | 229 Ų | 229 | 162.2 Ų | 162.2 | 87% | 0.867 | 85% | 0.851 | S | S | * | * | trans | 6 | 120.1 | 154.3 | -60.6 | 84.4 | 0 | 0 | 0 | 119 | ||||
| 497 | S | 41.4 | Very low | 45.3 | Very low | 120 Ų | 120 | 162.9 Ų | 162.9 | 84% | 0.839 | 85% | 0.853 | S | S | * | * | trans | -101.9 | 126.8 | 156.2 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 498 | D | 42.6 | Very low | 45.4 | Very low | 236 Ų | 236 | 163.5 Ų | 163.5 | 100% | 1.262 | 85% | 0.854 | S | S | * | * | trans | 85.1 | 0 | 170.4 | -144.7 | 37.6 | 0 | 0 | 0 | 118.9 |
Retrieved 498 of 498 residues in 101.9 ms
(Link to these results)