| 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 | 39.6 | Very low | 76.4 | Confident | 240 Ų | 240 | 117.1 Ų | 117.1 | 100% | 1.182 | 64% | 0.643 | S | S | * | * | 0 | 122.1 | 0 | -84.8 | 169 | 84.3 | 0 | 0 | 107.3 | |||||
| 2 | A | 52.3 | Low | 77.8 | Confident | 92 Ų | 92 | 111.3 Ų | 111.3 | 76% | 0.76 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 139 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 3 | P | 60.3 | Low | 79.1 | Confident | 107 Ų | 107 | 105.5 Ų | 105.5 | 70% | 0.695 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 144.4 | 175.8 | 25.8 | -32.7 | 0 | 0 | 0 | 109.1 | I5 | P3-I5 PolarHBondContact O-N 3.3Š|
| 4 | P | 67.2 | Low | 80.1 | Confident | 101 Ų | 101 | 99.1 Ų | 99.1 | 66% | 0.656 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 129.2 | 174.4 | 25.1 | -32.7 | 0 | 0 | 0 | 108.3 | M6 | P4-M6 HydrophobicContact CG-CE 4.33Å; P4-M6 PolarHBondContact O-N 3.22Å |
| 5 | I | 78.1 | Confident | 80.9 | Confident | 173 Ų | 173 | 99.8 Ų | 99.8 | 89% | 0.887 | 55% | 0.55 | S | S | * | . | trans | -65.3 | 100.5 | -179.9 | -58.5 | 163.1 | 0 | 0 | 0 | 106.8 | P3 | P3-I5 PolarHBondContact O-N 3.3Š| ||
| 6 | M | 80 | Confident | 81.8 | Confident | 102 Ų | 102 | 99.3 Ų | 99.3 | 50% | 0.502 | 55% | 0.545 | S | S | . | . | trans | -80.7 | 141.8 | 173.1 | -65.2 | -175.2 | -176.8 | 0 | 0 | 108.7 | P4 | P4-M6 HydrophobicContact CG-CE 4.33Å; P4-M6 PolarHBondContact O-N 3.22Å | ||
| 7 | P | 90.8 | Very high | 82.5 | Confident | 87 Ų | 87 | 94.6 Ų | 94.6 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | trans | -63 | 149.6 | 173.2 | 25.4 | -30.5 | 0 | 0 | 0 | 110 | D9 A10 E11 | P7-D9 PolarHBondContact O-N 3.49Å; P7-D9 VanDerWaalsContact O-N 3.16Å; P7-A10 HydrophobicContact CG-CB 3.66Å; P7-A10 WeakPolarHBondContact O-CB 3.41Å; P7-A10 PolarHBondContact O-N 2.93Å; P7-E11 PolarHBondContact O-N 3Å | ||
| 8 | K | 92.1 | Very high | 83.1 | Confident | 177 Ų | 177 | 97.7 Ų | 97.7 | 77% | 0.77 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -54.7 | -37.7 | -175 | -67.4 | -177.5 | 178.6 | -180 | 0 | 112.9 | E11 A12 | K8-E11 WeakPolarHBondContact O-CB 3.44Å; K8-E11 PolarHBondContact O-N 3.32Å; K8-A12 PolarHBondContact O-N 3.3Å |
| 9 | D | 94.1 | Very high | 83.7 | Confident | 72 Ų | 72 | 100.6 Ų | 100.6 | 39% | 0.385 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 179 | -52.8 | -57 | 0 | 0 | 0 | 112 | P7 E11 A12 M13 V34 Y38 | P7-D9 PolarHBondContact O-N 3.49Å; P7-D9 VanDerWaalsContact O-N 3.16Å; D9-E11 VanDerWaalsContact C-N 3.35Å; D9-A12 PolarHBondContact O-N 3.49Å; D9-M13 VanDerWaalsContact O-CG 3.31Å; D9-M13 WeakPolarHBondContact O-CG 3.43Å; D9-M13 PolarHBondContact O-N 3.33Å; D9-V34 HydrophobicContact CB-CG1 4.48Å; D9-V34 HydrophobicContact CB-CG2 4.42Å; D9-Y38 VanDerWaalsContact CG-OH 3.32Å; D9-Y38 PolarHBondContact OD2-OH 3.28Å |
| 10 | A | 93 | Very high | 84.3 | Confident | 7 Ų | 7 | 100.9 Ų | 100.9 | 6% | 0.058 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -65.6 | -40 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P7 A12 M13 V14 I30 | P7-A10 HydrophobicContact CG-CB 3.66Å; P7-A10 WeakPolarHBondContact O-CB 3.41Å; P7-A10 PolarHBondContact O-N 2.93Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A10-M13 PolarHBondContact O-N 3.28Å; A10-V14 WeakPolarHBondContact O-CG2 3.39Å; A10-V14 PolarHBondContact O-N 3.06Å; A10-I30 HydrophobicContact CB-CG2 3.67Å |
| 11 | E | 93.1 | Very high | 84.7 | Confident | 130 Ų | 130 | 98.7 Ų | 98.7 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 174.4 | -173.1 | 175.2 | -167.3 | 0 | 0 | 111.4 | P7 K8 D9 M13 V14 E15 | P7-E11 PolarHBondContact O-N 3Å; K8-E11 WeakPolarHBondContact O-CB 3.44Å; K8-E11 PolarHBondContact O-N 3.32Å; D9-E11 VanDerWaalsContact C-N 3.35Å; E11-M13 PolarHBondContact O-N 3.42Å; E11-V14 PolarHBondContact O-N 3.16Å; E11-E15 PolarHBondContact O-N 3.39Å |
| 12 | A | 93.6 | Very high | 87.3 | Confident | 48 Ų | 48 | 90 Ų | 90 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K8 D9 A10 E15 L16 | K8-A12 PolarHBondContact O-N 3.3Å; D9-A12 PolarHBondContact O-N 3.49Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A12-E15 PolarHBondContact O-N 3.09Å; A12-L16 WeakPolarHBondContact O-CB 3.49Å; A12-L16 PolarHBondContact O-N 3.21Å |
| 13 | M | 94.5 | Very high | 88.9 | Confident | 35 Ų | 35 | 91.3 Ų | 91.3 | 17% | 0.172 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -67 | -37.6 | 175.8 | -66.7 | -56.3 | 148.8 | 0 | 0 | 112.3 | D9 A10 E11 L16 L17 I30 L33 V34 A37 | D9-M13 VanDerWaalsContact O-CG 3.31Å; D9-M13 WeakPolarHBondContact O-CG 3.43Å; D9-M13 PolarHBondContact O-N 3.33Å; A10-M13 PolarHBondContact O-N 3.28Å; E11-M13 PolarHBondContact O-N 3.42Å; M13-L16 WeakPolarHBondContact O-CB 3.32Å; M13-L16 PolarHBondContact O-N 3.13Å; M13-L16 HydrophobicContact SD-CD2 4.23Å; M13-L17 WeakPolarHBondContact O-CG 3.2Å; M13-L17 PolarHBondContact O-N 2.98Å; M13-I30 HydrophobicContact CB-CG2 4.4Å; M13-L33 HydrophobicContact CG-CB 4.2Å; M13-L33 HydrophobicContact SD-CB 4.12Å; M13-V34 HydrophobicContact CG-CG2 3.76Å; M13-A37 HydrophobicContact CE-CB 4.1Å |
| 14 | V | 92.5 | Very high | 90.4 | Very high | 17 Ų | 17 | 93.5 Ų | 93.5 | 10% | 0.103 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 173.4 | 170.9 | 0 | 0 | 0 | 0 | 111 | A10 E11 L16 L17 K18 Y25 I30 | A10-V14 WeakPolarHBondContact O-CG2 3.39Å; A10-V14 PolarHBondContact O-N 3.06Å; E11-V14 PolarHBondContact O-N 3.16Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 3.01Å; V14-L17 PolarHBondContact O-N 3.05Å; V14-K18 HydrophobicContact CG1-CD 4.4Å; V14-K18 WeakPolarHBondContact O-CG 3.4Å; V14-K18 PolarHBondContact O-N 2.71Å; V14-Y25 WeakPolarHBondContact CG2-OH 3.07Å; V14-I30 HydrophobicContact CG2-CD1 3.52Å; V14-I30 HydrophobicContact CG2-CG1 4.21Å |
| 15 | E | 92.8 | Very high | 91.6 | Very high | 109 Ų | 109 | 92.5 Ų | 92.5 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 176.2 | -156.2 | -172.7 | -172.7 | 0 | 0 | 111.8 | E11 A12 K18 K19 | E11-E15 PolarHBondContact O-N 3.39Å; A12-E15 PolarHBondContact O-N 3.09Å; E15-K18 PolarHBondContact O-N 2.97Å; E15-K19 WeakPolarHBondContact O-CG 3.49Å; E15-K19 PolarHBondContact O-N 3.25Å |
| 16 | L | 94.8 | Very high | 92.4 | Very high | 91 Ų | 91 | 89.5 Ų | 89.5 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 172.7 | -179 | 64.7 | 0 | 0 | 0 | 111.7 | A12 M13 V14 K18 K19 V20 | A12-L16 WeakPolarHBondContact O-CB 3.49Å; A12-L16 PolarHBondContact O-N 3.21Å; M13-L16 WeakPolarHBondContact O-CB 3.32Å; M13-L16 PolarHBondContact O-N 3.13Å; M13-L16 HydrophobicContact SD-CD2 4.23Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 3.01Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 2.9Å; L16-K19 WeakPolarHBondContact O-CB 3.48Å; L16-K19 PolarHBondContact O-N 3.48Å; L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 3Å |
| 17 | L | 94.2 | Very high | 92.7 | Very high | 21 Ų | 21 | 89.4 Ų | 89.4 | 11% | 0.11 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 177.8 | -72.2 | 171.9 | 0 | 0 | 0 | 111.8 | M13 V14 K19 V20 G21 V22 Y25 L33 | M13-L17 WeakPolarHBondContact O-CG 3.2Å; M13-L17 PolarHBondContact O-N 2.98Å; V14-L17 PolarHBondContact O-N 3.05Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-K19 PolarHBondContact O-N 3.44Å; L17-V20 PolarHBondContact O-N 3.34Å; L17-G21 PolarHBondContact O-N 3.03Å; L17-G21 VanDerWaalsContact O-N 3.16Å; L17-V22 HydrophobicContact CD2-CB 4.3Å; L17-V22 PolarHBondContact O-N 3.49Å; L17-Y25 HydrophobicContact CB-CD1 4.47Å; L17-Y25 HydrophobicContact CB-CE1 4.37Å; L17-Y25 HydrophobicContact CD1-CD1 3.76Å; L17-Y25 HydrophobicContact CD1-CD2 4.24Å; L17-Y25 HydrophobicContact CD1-CE1 3.91Å; L17-Y25 HydrophobicContact CD1-CE2 4.42Å; L17-Y25 HydrophobicContact CD1-CG 3.93Å; L17-L33 HydrophobicContact CD1-CD1 4.11Å; L17-L33 HydrophobicContact CD2-CD1 4.05Å; L17-L33 HydrophobicContact CG-CD1 4.19Å |
| 18 | K | 92.9 | Very high | 92.8 | Very high | 150 Ų | 150 | 93.9 Ų | 93.9 | 65% | 0.652 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.8 | -40.2 | 173.2 | -72.9 | 174.4 | -177.7 | 174.9 | 0 | 112.5 | V14 E15 L16 V20 G21 | V14-K18 HydrophobicContact CG1-CD 4.4Å; V14-K18 WeakPolarHBondContact O-CG 3.4Å; V14-K18 PolarHBondContact O-N 2.71Å; E15-K18 PolarHBondContact O-N 2.97Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 2.9Å; K18-V20 VanDerWaalsContact C-N 3.35Å; K18-G21 PolarHBondContact O-N 3.34Å |
| 19 | K | 95.2 | Very high | 93 | Very high | 153 Ų | 153 | 88 Ų | 88 | 67% | 0.665 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.6 | -34.2 | 177.1 | -73.2 | 171.3 | -175.1 | 168.7 | 0 | 112.7 | E15 L16 L17 G21 | E15-K19 WeakPolarHBondContact O-CG 3.49Å; E15-K19 PolarHBondContact O-N 3.25Å; L16-K19 WeakPolarHBondContact O-CB 3.48Å; L16-K19 PolarHBondContact O-N 3.48Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-K19 PolarHBondContact O-N 3.44Å; K19-G21 PolarHBondContact O-N 2.9Å |
| 20 | V | 94.9 | Very high | 92.9 | Very high | 106 Ų | 106 | 85.3 Ų | 85.3 | 64% | 0.642 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -77 | -13 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | L16 L17 K18 V22 | L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 3Å; L17-V20 PolarHBondContact O-N 3.34Å; K18-V20 VanDerWaalsContact C-N 3.35Å; V20-V22 HydrophobicContact CG1-CG2 4.19Å |
| 21 | G | 94 | Very high | 92.9 | Very high | 55 Ų | 55 | 90.4 Ų | 90.4 | 57% | 0.567 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 14.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L17 K18 K19 V23 | L17-G21 PolarHBondContact O-N 3.03Å; L17-G21 VanDerWaalsContact O-N 3.16Å; K18-G21 PolarHBondContact O-N 3.34Å; K19-G21 PolarHBondContact O-N 2.9Å; G21-V23 PolarHBondContact O-N 2.98Å |
| 22 | V | 93.3 | Very high | 93 | Very high | 57 Ų | 57 | 90 Ų | 90 | 35% | 0.345 | 47% | 0.471 | S | S | . | . | trans | -85.9 | 106.5 | 174.4 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | L17 V20 Y25 | L17-V22 HydrophobicContact CD2-CB 4.3Å; L17-V22 PolarHBondContact O-N 3.49Å; V20-V22 HydrophobicContact CG1-CG2 4.19Å; V22-Y25 HydrophobicContact CG1-CD1 4.41Å | ||
| 23 | V | 86.7 | Confident | 93.1 | Very high | 120 Ų | 120 | 89.7 Ų | 89.7 | 73% | 0.727 | 46% | 0.462 | S | S | * | . | trans | -91.9 | -35.6 | -178.7 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | G21 | G21-V23 PolarHBondContact O-N 2.98Š| ||
| 24 | D | 91.4 | Very high | 93.2 | Very high | 152 Ų | 152 | 89.3 Ų | 89.3 | 81% | 0.813 | 46% | 0.462 | S | S | * | . | trans | -109.8 | 117.7 | -177.6 | -62.2 | -37.9 | 0 | 0 | 0 | 110.7 | ||||
| 25 | Y | 92.8 | Very high | 93.3 | Very high | 81 Ų | 81 | 94.7 Ų | 94.7 | 32% | 0.318 | 49% | 0.486 | S | S | . | . | trans | -146.5 | 152.3 | 176.7 | 55.2 | -96.9 | 0 | 0 | 0 | 110.9 | V14 L17 V22 I30 | V14-Y25 WeakPolarHBondContact CG2-OH 3.07Å; L17-Y25 HydrophobicContact CB-CD1 4.47Å; L17-Y25 HydrophobicContact CB-CE1 4.37Å; L17-Y25 HydrophobicContact CD1-CD1 3.76Å; L17-Y25 HydrophobicContact CD1-CD2 4.24Å; L17-Y25 HydrophobicContact CD1-CE1 3.91Å; L17-Y25 HydrophobicContact CD1-CE2 4.42Å; L17-Y25 HydrophobicContact CD1-CG 3.93Å; V22-Y25 HydrophobicContact CG1-CD1 4.41Å; Y25-I30 HydrophobicContact CD2-CD1 4.36Å; Y25-I30 HydrophobicContact CD2-CG1 4.22Å; Y25-I30 HydrophobicContact CE2-CD1 3.55Å; Y25-I30 HydrophobicContact CE2-CG1 3.84Å | ||
| 26 | E | 93.1 | Very high | 93.5 | Very high | 110 Ų | 110 | 92.3 Ų | 92.3 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | trans | -74.7 | 140.7 | 173.2 | -171.6 | -176.8 | 173.7 | 0 | 0 | 110.1 | R28 V29 | E26-R28 HydrophobicContact CG-CB 4.32Å; E26-R28 HydrophobicContact CG-CG 4.39Å; E26-R28 PolarHBondContact O-N 3.04Å; E26-R28 WeakPolarHBondContact OE1-CD 2.97Å; E26-V29 HydrophobicContact CB-CG2 4.23Å; E26-V29 VanDerWaalsContact O-CB 3.28Å; E26-V29 WeakPolarHBondContact O-CB 3.42Å; E26-V29 WeakPolarHBondContact O-CG2 3.42Å; E26-V29 PolarHBondContact O-N 2.92Å | ||
| 27 | P | 88.2 | Confident | 93.6 | Very high | 99 Ų | 99 | 89.8 Ų | 89.8 | 64% | 0.643 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -54.1 | -29 | 178.8 | -28.2 | 35 | 0 | 0 | 0 | 114.6 | V29 I30 | P27-V29 PolarHBondContact O-N 2.97Å; P27-I30 PolarHBondContact O-N 3.45Å |
| 28 | R | 92.9 | Very high | 93.7 | Very high | 181 Ų | 181 | 95.1 Ų | 95.1 | 68% | 0.683 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.9 | -28.1 | 176.3 | -64.6 | 178.6 | 73.1 | -169.3 | 0.6 | 113 | E26 I30 N31 F32 | E26-R28 HydrophobicContact CG-CB 4.32Å; E26-R28 HydrophobicContact CG-CG 4.39Å; E26-R28 PolarHBondContact O-N 3.04Å; E26-R28 WeakPolarHBondContact OE1-CD 2.97Å; R28-I30 VanDerWaalsContact C-N 3.29Å; R28-I30 PolarHBondContact O-N 3.08Å; R28-N31 PolarHBondContact O-N 2.94Å; R28-F32 PolarHBondContact O-N 3.37Å |
| 29 | V | 94.4 | Very high | 93.9 | Very high | 53 Ų | 53 | 94.5 Ų | 94.5 | 32% | 0.321 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 178.8 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | E26 P27 F32 L33 | E26-V29 HydrophobicContact CB-CG2 4.23Å; E26-V29 VanDerWaalsContact O-CB 3.28Å; E26-V29 WeakPolarHBondContact O-CB 3.42Å; E26-V29 WeakPolarHBondContact O-CG2 3.42Å; E26-V29 PolarHBondContact O-N 2.92Å; P27-V29 PolarHBondContact O-N 2.97Å; V29-F32 PolarHBondContact O-N 3.45Å; V29-L33 HydrophobicContact CG1-CD1 4.01Å; V29-L33 HydrophobicContact CG1-CG 4.21Å; V29-L33 WeakPolarHBondContact O-CB 3.14Å; V29-L33 VanDerWaalsContact O-CG 3.29Å; V29-L33 WeakPolarHBondContact O-CG 3.4Å; V29-L33 PolarHBondContact O-N 3.21Å |
| 30 | I | 93.6 | Very high | 93.8 | Very high | 17 Ų | 17 | 89.8 Ų | 89.8 | 9% | 0.087 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 177.2 | -60.9 | 172.4 | 0 | 0 | 0 | 110 | A10 M13 V14 Y25 P27 R28 F32 L33 V34 | A10-I30 HydrophobicContact CB-CG2 3.67Å; M13-I30 HydrophobicContact CB-CG2 4.4Å; V14-I30 HydrophobicContact CG2-CD1 3.52Å; V14-I30 HydrophobicContact CG2-CG1 4.21Å; Y25-I30 HydrophobicContact CD2-CD1 4.36Å; Y25-I30 HydrophobicContact CD2-CG1 4.22Å; Y25-I30 HydrophobicContact CE2-CD1 3.55Å; Y25-I30 HydrophobicContact CE2-CG1 3.84Å; P27-I30 PolarHBondContact O-N 3.45Å; R28-I30 VanDerWaalsContact C-N 3.29Å; R28-I30 PolarHBondContact O-N 3.08Å; I30-F32 VanDerWaalsContact C-N 3.29Å; I30-F32 PolarHBondContact O-N 3.41Å; I30-L33 PolarHBondContact O-N 3.46Å; I30-V34 HydrophobicContact CG2-CG2 4.47Å; I30-V34 WeakPolarHBondContact O-CG2 3.35Å; I30-V34 PolarHBondContact O-N 2.99Å |
| 31 | N | 93.2 | Very high | 93.8 | Very high | 114 Ų | 114 | 87.9 Ų | 87.9 | 61% | 0.61 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60 | -42.9 | 179.1 | -68.6 | -12.4 | 0 | 0 | 0 | 111.2 | R28 V34 E35 | R28-N31 PolarHBondContact O-N 2.94Å; N31-V34 PolarHBondContact O-N 2.96Å; N31-E35 WeakPolarHBondContact O-CB 3.31Å; N31-E35 PolarHBondContact O-N 2.98Å |
| 32 | F | 95.3 | Very high | 93.9 | Very high | 121 Ų | 121 | 91.2 Ų | 91.2 | 53% | 0.531 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.9 | 173.4 | -101.3 | 0 | 0 | 0 | 112.6 | R28 V29 I30 E35 L36 | R28-F32 PolarHBondContact O-N 3.37Å; V29-F32 PolarHBondContact O-N 3.45Å; I30-F32 VanDerWaalsContact C-N 3.29Å; I30-F32 PolarHBondContact O-N 3.41Å; F32-E35 PolarHBondContact O-N 3.31Å; F32-L36 HydrophobicContact CE1-CD2 4.09Å; F32-L36 HydrophobicContact CZ-CD2 4.34Å; F32-L36 WeakPolarHBondContact O-CB 3.47Å; F32-L36 PolarHBondContact O-N 3.1Å |
| 33 | L | 95.3 | Very high | 94 | Very high | 41 Ų | 41 | 91 Ų | 91 | 22% | 0.215 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 178.7 | -74.3 | 174.1 | 0 | 0 | 0 | 111.9 | M13 L17 V29 I30 L36 A37 | M13-L33 HydrophobicContact CG-CB 4.2Å; M13-L33 HydrophobicContact SD-CB 4.12Å; L17-L33 HydrophobicContact CD1-CD1 4.11Å; L17-L33 HydrophobicContact CD2-CD1 4.05Å; L17-L33 HydrophobicContact CG-CD1 4.19Å; V29-L33 HydrophobicContact CG1-CD1 4.01Å; V29-L33 HydrophobicContact CG1-CG 4.21Å; V29-L33 WeakPolarHBondContact O-CB 3.14Å; V29-L33 VanDerWaalsContact O-CG 3.29Å; V29-L33 WeakPolarHBondContact O-CG 3.4Å; V29-L33 PolarHBondContact O-N 3.21Å; I30-L33 PolarHBondContact O-N 3.46Å; L33-L36 PolarHBondContact O-N 2.98Å; L33-A37 WeakPolarHBondContact O-CB 3.29Å; L33-A37 PolarHBondContact O-N 3.45Å |
| 34 | V | 95.4 | Very high | 94.4 | Very high | 28 Ų | 28 | 86.8 Ų | 86.8 | 17% | 0.17 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.3 | -48.4 | 174.9 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | D9 M13 I30 N31 L36 A37 Y38 | D9-V34 HydrophobicContact CB-CG1 4.48Å; D9-V34 HydrophobicContact CB-CG2 4.42Å; M13-V34 HydrophobicContact CG-CG2 3.76Å; I30-V34 HydrophobicContact CG2-CG2 4.47Å; I30-V34 WeakPolarHBondContact O-CG2 3.35Å; I30-V34 PolarHBondContact O-N 2.99Å; N31-V34 PolarHBondContact O-N 2.96Å; V34-L36 PolarHBondContact O-N 3.34Å; V34-A37 PolarHBondContact O-N 3.38Å; V34-Y38 HydrophobicContact CG1-CD2 3.71Å; V34-Y38 HydrophobicContact CG1-CE2 3.43Å; V34-Y38 VanDerWaalsContact CG1-CE2 3.43Å; V34-Y38 WeakPolarHBondContact O-CD2 3.46Å; V34-Y38 PolarHBondContact O-N 3.29Å |
| 35 | E | 95.9 | Very high | 94.6 | Very high | 130 Ų | 130 | 84.2 Ų | 84.2 | 61% | 0.607 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.9 | -44.7 | 176.5 | -174.4 | -176.2 | 163.2 | 0 | 0 | 111.9 | N31 F32 A37 Y38 R39 | N31-E35 WeakPolarHBondContact O-CB 3.31Å; N31-E35 PolarHBondContact O-N 2.98Å; F32-E35 PolarHBondContact O-N 3.31Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 3.34Å; E35-Y38 PolarHBondContact O-N 3.2Å; E35-R39 VanDerWaalsContact O-CB 3.27Å; E35-R39 WeakPolarHBondContact O-CB 3.34Å; E35-R39 PolarHBondContact O-N 2.85Å |
| 36 | L | 96.4 | Very high | 94.7 | Very high | 59 Ų | 59 | 85.1 Ų | 85.1 | 31% | 0.309 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 177.5 | 178.8 | 62.4 | 0 | 0 | 0 | 111.6 | F32 L33 V34 S40 | F32-L36 HydrophobicContact CE1-CD2 4.09Å; F32-L36 HydrophobicContact CZ-CD2 4.34Å; F32-L36 WeakPolarHBondContact O-CB 3.47Å; F32-L36 PolarHBondContact O-N 3.1Å; L33-L36 PolarHBondContact O-N 2.98Å; V34-L36 PolarHBondContact O-N 3.34Å; L36-S40 VanDerWaalsContact O-CB 3.23Å; L36-S40 WeakPolarHBondContact O-CB 3.49Å; L36-S40 PolarHBondContact O-N 2.91Å |
| 37 | A | 95.8 | Very high | 94.7 | Very high | 37 Ų | 37 | 83.6 Ų | 83.6 | 31% | 0.306 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M13 L33 V34 E35 S41 | M13-A37 HydrophobicContact CE-CB 4.1Å; L33-A37 WeakPolarHBondContact O-CB 3.29Å; L33-A37 PolarHBondContact O-N 3.45Å; V34-A37 PolarHBondContact O-N 3.38Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 3.34Å; A37-S41 VanDerWaalsContact O-CB 3.31Å; A37-S41 WeakPolarHBondContact O-CB 3.44Å; A37-S41 PolarHBondContact O-N 2.95Å; A37-S41 PolarHBondContact O-OG 2.99Å |
| 38 | Y | 96.8 | Very high | 95.1 | Very high | 133 Ų | 133 | 78.9 Ų | 78.9 | 52% | 0.522 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65 | -46.4 | 177.1 | -76.1 | -61.6 | 0 | 0 | 0 | 112.3 | D9 V34 E35 S40 S41 F42 | D9-Y38 VanDerWaalsContact CG-OH 3.32Å; D9-Y38 PolarHBondContact OD2-OH 3.28Å; V34-Y38 HydrophobicContact CG1-CD2 3.71Å; V34-Y38 HydrophobicContact CG1-CE2 3.43Å; V34-Y38 VanDerWaalsContact CG1-CE2 3.43Å; V34-Y38 WeakPolarHBondContact O-CD2 3.46Å; V34-Y38 PolarHBondContact O-N 3.29Å; E35-Y38 PolarHBondContact O-N 3.2Å; Y38-S40 PolarHBondContact O-N 3.43Å; Y38-S41 PolarHBondContact O-N 3.03Å; Y38-F42 VanDerWaalsContact O-CB 3.23Å; Y38-F42 WeakPolarHBondContact O-CB 3.28Å; Y38-F42 PolarHBondContact O-N 2.88Å |
| 39 | R | 96.7 | Very high | 95.1 | Very high | 138 Ų | 138 | 74.5 Ų | 74.5 | 52% | 0.521 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 178.9 | -173.3 | -179.8 | 61.9 | 74.7 | -0.2 | 111.2 | E35 S41 F42 T43 | E35-R39 VanDerWaalsContact O-CB 3.27Å; E35-R39 WeakPolarHBondContact O-CB 3.34Å; E35-R39 PolarHBondContact O-N 2.85Å; R39-S41 VanDerWaalsContact C-N 3.34Å; R39-S41 PolarHBondContact O-N 2.96Å; R39-F42 PolarHBondContact O-N 3.27Å; R39-T43 WeakPolarHBondContact O-CG2 3.46Å; R39-T43 PolarHBondContact O-N 3.06Å; R39-T43 PolarHBondContact O-OG1 3.32Å; R39-T43 VanDerWaalsContact O-OG1 3.06Å |
| 40 | S | 94.2 | Very high | 95.1 | Very high | 54 Ų | 54 | 73.7 Ų | 73.7 | 38% | 0.378 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 179.3 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | L36 Y38 T43 L44 | L36-S40 VanDerWaalsContact O-CB 3.23Å; L36-S40 WeakPolarHBondContact O-CB 3.49Å; L36-S40 PolarHBondContact O-N 2.91Å; Y38-S40 PolarHBondContact O-N 3.43Å; S40-T43 PolarHBondContact O-OG1 3.37Å; S40-L44 VanDerWaalsContact O-CB 3.27Å; S40-L44 WeakPolarHBondContact O-CB 3.38Å; S40-L44 PolarHBondContact O-N 3.47Å; S40-L44 VanDerWaalsContact O-N 3.15Å |
| 41 | S | 95.6 | Very high | 95.1 | Very high | 66 Ų | 66 | 74.6 Ų | 74.6 | 46% | 0.462 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 178.4 | -56.5 | 0 | 0 | 0 | 0 | 111 | A37 Y38 R39 L44 L45 | A37-S41 VanDerWaalsContact O-CB 3.31Å; A37-S41 WeakPolarHBondContact O-CB 3.44Å; A37-S41 PolarHBondContact O-N 2.95Å; A37-S41 PolarHBondContact O-OG 2.99Å; Y38-S41 PolarHBondContact O-N 3.03Å; R39-S41 VanDerWaalsContact C-N 3.34Å; R39-S41 PolarHBondContact O-N 2.96Å; S41-L44 PolarHBondContact O-N 2.84Å; S41-L45 WeakPolarHBondContact O-CB 3.23Å; S41-L45 VanDerWaalsContact O-CG 3.25Å; S41-L45 WeakPolarHBondContact O-CG 3.31Å; S41-L45 PolarHBondContact O-N 3.33Å |
| 42 | F | 96.2 | Very high | 95.2 | Very high | 125 Ų | 125 | 69.2 Ų | 69.2 | 55% | 0.548 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.2 | -49.8 | 178.7 | -174.2 | -100.9 | 0 | 0 | 0 | 111.6 | Y38 R39 L44 L45 E46 | Y38-F42 VanDerWaalsContact O-CB 3.23Å; Y38-F42 WeakPolarHBondContact O-CB 3.28Å; Y38-F42 PolarHBondContact O-N 2.88Å; R39-F42 PolarHBondContact O-N 3.27Å; F42-L44 PolarHBondContact O-N 3.08Å; F42-L45 PolarHBondContact O-N 3.23Å; F42-L45 VanDerWaalsContact O-N 3.08Å; F42-E46 HydrophobicContact CD1-CG 4.16Å; F42-E46 HydrophobicContact CE1-CG 3.86Å; F42-E46 WeakPolarHBondContact CE1-OE1 3.47Å; F42-E46 HydrophobicContact CZ-CG 4.11Å; F42-E46 WeakPolarHBondContact CZ-OE1 3.45Å; F42-E46 WeakPolarHBondContact O-CG 3.27Å; F42-E46 PolarHBondContact O-N 2.95Å |
| 43 | T | 94.8 | Very high | 95.1 | Very high | 53 Ų | 53 | 69 Ų | 69 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.6 | -36.2 | 176.4 | 52 | 0 | 0 | 0 | 0 | 112.1 | R39 S40 D47 | R39-T43 WeakPolarHBondContact O-CG2 3.46Å; R39-T43 PolarHBondContact O-N 3.06Å; R39-T43 PolarHBondContact O-OG1 3.32Å; R39-T43 VanDerWaalsContact O-OG1 3.06Å; S40-T43 PolarHBondContact O-OG1 3.37Å; T43-D47 PolarHBondContact O-N 2.88Å; T43-D47 VanDerWaalsContact O-N 3.12Å |
| 44 | L | 94.9 | Very high | 95 | Very high | 31 Ų | 31 | 76.5 Ų | 76.5 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.2 | -36.4 | 178.2 | -169 | 140.1 | 0 | 0 | 0 | 112.4 | S40 S41 F42 A48 V65 A68 I69 | S40-L44 VanDerWaalsContact O-CB 3.27Å; S40-L44 WeakPolarHBondContact O-CB 3.38Å; S40-L44 PolarHBondContact O-N 3.47Å; S40-L44 VanDerWaalsContact O-N 3.15Å; S41-L44 PolarHBondContact O-N 2.84Å; F42-L44 PolarHBondContact O-N 3.08Å; L44-A48 WeakPolarHBondContact O-CB 3.34Å; L44-A48 PolarHBondContact O-N 2.85Å; L44-V65 HydrophobicContact CD2-CG1 3.71Å; L44-A68 HydrophobicContact CG-CB 4.42Å; L44-I69 HydrophobicContact CD1-CB 4.5Å; L44-I69 HydrophobicContact CD1-CG1 3.57Å; L44-I69 HydrophobicContact CD2-CG1 4.11Å; L44-I69 HydrophobicContact CG-CG1 4.34Å |
| 45 | L | 95 | Very high | 94.8 | Very high | 97 Ų | 97 | 77.7 Ų | 77.7 | 51% | 0.508 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -72 | -33.9 | 175.4 | -71.7 | 172.8 | 0 | 0 | 0 | 112.1 | S41 F42 A48 H49 V65 | S41-L45 WeakPolarHBondContact O-CB 3.23Å; S41-L45 VanDerWaalsContact O-CG 3.25Å; S41-L45 WeakPolarHBondContact O-CG 3.31Å; S41-L45 PolarHBondContact O-N 3.33Å; F42-L45 PolarHBondContact O-N 3.23Å; F42-L45 VanDerWaalsContact O-N 3.08Å; L45-A48 PolarHBondContact O-N 3.37Å; L45-H49 WeakPolarHBondContact O-CB 3.19Å; L45-H49 PolarHBondContact O-N 2.73Å; L45-V65 HydrophobicContact CD2-CG2 4.46Å |
| 46 | E | 95.3 | Very high | 94.6 | Very high | 100 Ų | 100 | 79 Ų | 79 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 170.9 | -72.3 | -178.2 | 137.2 | 0 | 0 | 111 | F42 A48 H49 A50 | F42-E46 HydrophobicContact CD1-CG 4.16Å; F42-E46 HydrophobicContact CE1-CG 3.86Å; F42-E46 WeakPolarHBondContact CE1-OE1 3.47Å; F42-E46 HydrophobicContact CZ-CG 4.11Å; F42-E46 WeakPolarHBondContact CZ-OE1 3.45Å; F42-E46 WeakPolarHBondContact O-CG 3.27Å; F42-E46 PolarHBondContact O-N 2.95Å; E46-A48 VanDerWaalsContact C-N 3.34Å; E46-A48 PolarHBondContact O-N 2.97Å; E46-H49 PolarHBondContact O-N 3.48Å; E46-A50 PolarHBondContact O-N 3.47Å |
| 47 | D | 93.8 | Very high | 94.3 | Very high | 78 Ų | 78 | 79.7 Ų | 79.7 | 42% | 0.417 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 175.3 | -72.1 | -16.7 | 0 | 0 | 0 | 111.4 | T43 H49 A50 L51 A68 | T43-D47 PolarHBondContact O-N 2.88Å; T43-D47 VanDerWaalsContact O-N 3.12Å; D47-H49 PolarHBondContact O-N 3.45Å; D47-A50 PolarHBondContact O-N 2.8Å; D47-L51 WeakPolarHBondContact O-CG 3.23Å; D47-L51 PolarHBondContact O-N 3.32Å; D47-A68 HydrophobicContact CB-CB 4.03Å |
| 48 | A | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L44 L45 E46 L51 A52 V65 A68 | L44-A48 WeakPolarHBondContact O-CB 3.34Å; L44-A48 PolarHBondContact O-N 2.85Å; L45-A48 PolarHBondContact O-N 3.37Å; E46-A48 VanDerWaalsContact C-N 3.34Å; E46-A48 PolarHBondContact O-N 2.97Å; A48-L51 PolarHBondContact O-N 3.05Å; A48-A52 PolarHBondContact O-N 2.9Å; A48-V65 HydrophobicContact CB-CB 4.46Å; A48-V65 HydrophobicContact CB-CG2 3.87Å; A48-A68 HydrophobicContact CB-CB 4.15Å |
| 49 | H | 94.6 | Very high | 93.6 | Very high | 89 Ų | 89 | 85.9 Ų | 85.9 | 41% | 0.412 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 175.2 | -169.3 | -87.4 | 0 | 0 | 0 | 111.2 | L45 E46 D47 L51 A52 E53 | L45-H49 WeakPolarHBondContact O-CB 3.19Å; L45-H49 PolarHBondContact O-N 2.73Å; E46-H49 PolarHBondContact O-N 3.48Å; D47-H49 PolarHBondContact O-N 3.45Å; H49-L51 VanDerWaalsContact C-N 3.31Å; H49-L51 PolarHBondContact O-N 2.92Å; H49-A52 WeakPolarHBondContact O-CB 3.46Å; H49-A52 PolarHBondContact O-N 3.28Å; H49-A52 VanDerWaalsContact O-N 3.12Å; H49-E53 IonicContact CE1-OE1 3.06Å; H49-E53 PolarHBondContact CE1-OE1 3.46Å; H49-E53 IonicContact ND1-OE1 3.49Å; H49-E53 PolarHBondContact ND1-OE1 3.26Å; H49-E53 WeakPolarHBondContact O-CG 3.36Å; H49-E53 PolarHBondContact O-N 3.49Å |
| 50 | A | 94.5 | Very high | 93.3 | Very high | 36 Ų | 36 | 81.1 Ų | 81.1 | 30% | 0.298 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E46 D47 A52 E53 Y54 | E46-A50 PolarHBondContact O-N 3.47Å; D47-A50 PolarHBondContact O-N 2.8Å; A50-A52 VanDerWaalsContact C-N 3.33Å; A50-A52 PolarHBondContact O-N 2.93Å; A50-E53 WeakPolarHBondContact O-CB 3.46Å; A50-E53 PolarHBondContact O-N 3.34Å; A50-Y54 HydrophobicContact CB-CE2 4.48Å; A50-Y54 WeakPolarHBondContact O-CD2 3.49Å; A50-Y54 PolarHBondContact O-N 3.02Å |
| 51 | L | 93.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 81.4 Ų | 81.4 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 174 | -69.1 | 170.3 | 0 | 0 | 0 | 112.8 | D47 A48 H49 Y54 S55 D64 L67 A68 L71 | D47-L51 WeakPolarHBondContact O-CG 3.23Å; D47-L51 PolarHBondContact O-N 3.32Å; A48-L51 PolarHBondContact O-N 3.05Å; H49-L51 VanDerWaalsContact C-N 3.31Å; H49-L51 PolarHBondContact O-N 2.92Å; L51-Y54 PolarHBondContact O-N 3.35Å; L51-S55 PolarHBondContact O-N 2.92Å; L51-D64 HydrophobicContact CB-CB 4.31Å; L51-D64 WeakPolarHBondContact CD1-O 3.35Å; L51-L67 HydrophobicContact CD1-CB 3.99Å; L51-L67 HydrophobicContact CD1-CD2 3.93Å; L51-L67 HydrophobicContact CD1-CG 3.81Å; L51-L67 HydrophobicContact CD2-CD2 3.92Å; L51-L67 HydrophobicContact CD2-CG 4.47Å; L51-L67 HydrophobicContact CG-CD2 4.46Å; L51-A68 HydrophobicContact CD1-CB 4.01Å; L51-L71 HydrophobicContact CD1-CD1 4.23Å; L51-L71 HydrophobicContact CD2-CD1 4.28Å |
| 52 | A | 93.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 81.9 Ų | 81.9 | 1% | 0.008 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A48 H49 A50 Y54 S55 N56 K57 A60 | A48-A52 PolarHBondContact O-N 2.9Å; H49-A52 WeakPolarHBondContact O-CB 3.46Å; H49-A52 PolarHBondContact O-N 3.28Å; H49-A52 VanDerWaalsContact O-N 3.12Å; A50-A52 VanDerWaalsContact C-N 3.33Å; A50-A52 PolarHBondContact O-N 2.93Å; A52-Y54 VanDerWaalsContact C-N 3.33Å; A52-Y54 PolarHBondContact O-N 3.42Å; A52-S55 CarbonylContact O-C 3.21Å; A52-S55 WeakPolarHBondContact O-CA 3.49Å; A52-S55 PolarHBondContact O-N 3.29Å; A52-S55 PolarHBondContact O-OG 3.12Å; A52-N56 PolarHBondContact O-N 3.41Å; A52-K57 CarbonylContact C-O 3.59Å; A52-K57 HydrophobicContact CB-CB 4.29Å; A52-K57 PolarHBondContact O-N 2.94Å; A52-A60 HydrophobicContact CB-CB 4.18Å |
| 53 | E | 94.5 | Very high | 93.2 | Very high | 118 Ų | 118 | 82.6 Ų | 82.6 | 55% | 0.551 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -58 | -42.5 | 174.2 | -72.1 | 179.6 | -176.6 | 0 | 0 | 111.7 | H49 A50 S55 N56 | H49-E53 IonicContact CE1-OE1 3.06Å; H49-E53 PolarHBondContact CE1-OE1 3.46Å; H49-E53 IonicContact ND1-OE1 3.49Å; H49-E53 PolarHBondContact ND1-OE1 3.26Å; H49-E53 WeakPolarHBondContact O-CG 3.36Å; H49-E53 PolarHBondContact O-N 3.49Å; A50-E53 WeakPolarHBondContact O-CB 3.46Å; A50-E53 PolarHBondContact O-N 3.34Å; E53-S55 PolarHBondContact O-N 2.94Å; E53-N56 PolarHBondContact O-N 3.31Å |
| 54 | Y | 93.7 | Very high | 93.3 | Very high | 197 Ų | 197 | 80.7 Ų | 80.7 | 77% | 0.773 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.7 | -27.8 | 174.8 | -77.5 | -64.7 | 0 | 0 | 0 | 113.4 | A50 L51 A52 | A50-Y54 HydrophobicContact CB-CE2 4.48Å; A50-Y54 WeakPolarHBondContact O-CD2 3.49Å; A50-Y54 PolarHBondContact O-N 3.02Å; L51-Y54 PolarHBondContact O-N 3.35Å; A52-Y54 VanDerWaalsContact C-N 3.33Å; A52-Y54 PolarHBondContact O-N 3.42Å |
| 55 | S | 90.8 | Very high | 93.3 | Very high | 53 Ų | 53 | 81.1 Ų | 81.1 | 37% | 0.371 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 8 | 178.2 | 68.4 | 0 | 0 | 0 | 0 | 114 | L51 A52 E53 K57 | L51-S55 PolarHBondContact O-N 2.92Å; A52-S55 CarbonylContact O-C 3.21Å; A52-S55 WeakPolarHBondContact O-CA 3.49Å; A52-S55 PolarHBondContact O-N 3.29Å; A52-S55 PolarHBondContact O-OG 3.12Å; E53-S55 PolarHBondContact O-N 2.94Å; S55-K57 PolarHBondContact O-N 3.36Å; S55-K57 VanDerWaalsContact OG-CD 3.26Å; S55-K57 WeakPolarHBondContact OG-CD 3.37Å; S55-K57 VanDerWaalsContact OG-CE 3.28Å; S55-K57 WeakPolarHBondContact OG-CE 3.44Å; S55-K57 VanDerWaalsContact OG-CG 3.28Å; S55-K57 WeakPolarHBondContact OG-CG 3.41Å |
| 56 | N | 91 | Very high | 93.3 | Very high | 158 Ų | 158 | 79.5 Ų | 79.5 | 85% | 0.845 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 32.4 | -174.1 | -55.6 | -70.6 | 0 | 0 | 0 | 113.6 | A52 E53 | A52-N56 PolarHBondContact O-N 3.41Å; E53-N56 PolarHBondContact O-N 3.31Å |
| 57 | K | 89.9 | Confident | 93.2 | Very high | 74 Ų | 74 | 78.4 Ų | 78.4 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | trans | -97 | 132.3 | 172.6 | -62 | 174.6 | -163.5 | 168 | 0 | 109.3 | A52 S55 V59 D64 | A52-K57 CarbonylContact C-O 3.59Å; A52-K57 HydrophobicContact CB-CB 4.29Å; A52-K57 PolarHBondContact O-N 2.94Å; S55-K57 PolarHBondContact O-N 3.36Å; S55-K57 VanDerWaalsContact OG-CD 3.26Å; S55-K57 WeakPolarHBondContact OG-CD 3.37Å; S55-K57 VanDerWaalsContact OG-CE 3.28Å; S55-K57 WeakPolarHBondContact OG-CE 3.44Å; S55-K57 VanDerWaalsContact OG-CG 3.28Å; S55-K57 WeakPolarHBondContact OG-CG 3.41Å; K57-V59 VanDerWaalsContact C-N 3.31Å; K57-D64 IonicContact NZ-OD1 2.95Å; K57-D64 PolarHBondContact NZ-OD1 3.44Å; K57-D64 IonicContact NZ-OD2 3.73Å; K57-D64 PolarHBondContact NZ-OD2 3.22Å | ||
| 58 | E | 87.3 | Confident | 93.2 | Very high | 188 Ų | 188 | 74.8 Ų | 74.8 | 88% | 0.879 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -76.2 | -19.8 | 175.2 | -64.9 | -173.9 | 168 | 0 | 0 | 113.2 | ||
| 59 | V | 91.7 | Very high | 93.2 | Very high | 112 Ų | 112 | 77.8 Ų | 77.8 | 68% | 0.679 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -125.1 | 125.2 | -176.9 | -177.1 | 0 | 0 | 0 | 0 | 109 | K57 T61 | K57-V59 VanDerWaalsContact C-N 3.31Å; V59-T61 PolarHBondContact O-N 2.84Å |
| 60 | A | 90.7 | Very high | 93 | Very high | 38 Ų | 38 | 81.2 Ų | 81.2 | 31% | 0.314 | 43% | 0.427 | S | S | . | . | trans | -62.1 | 124.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A52 | A52-A60 HydrophobicContact CB-CB 4.18Š| ||
| 61 | T | 94.1 | Very high | 92.8 | Very high | 60 Ų | 60 | 83.3 Ų | 83.3 | 37% | 0.368 | 43% | 0.432 | S | S | . | . | trans | -89 | 159.8 | 178.1 | -50.5 | 0 | 0 | 0 | 0 | 109.8 | V59 E63 D64 V65 | V59-T61 PolarHBondContact O-N 2.84Å; T61-E63 HydrophobicContact CG2-CB 4.45Å; T61-E63 HydrophobicContact CG2-CG 4.44Å; T61-E63 PolarHBondContact O-N 3.38Å; T61-E63 VanDerWaalsContact O-N 3.16Å; T61-D64 WeakPolarHBondContact CB-OD2 3.27Å; T61-D64 PolarHBondContact N-OD2 3.15Å; T61-D64 WeakPolarHBondContact O-CB 3.25Å; T61-D64 PolarHBondContact O-N 3Å; T61-D64 PolarHBondContact OG1-OD2 3.39Å; T61-V65 PolarHBondContact O-N 3.49Å | ||
| 62 | A | 94.9 | Very high | 92.5 | Very high | 76 Ų | 76 | 84.7 Ų | 84.7 | 63% | 0.628 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -56.2 | -29.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V65 C66 | A62-V65 PolarHBondContact O-N 3.15Å; A62-C66 PolarHBondContact O-N 3.02Å; A62-C66 PolarHBondContact O-SG 3.12Å; A62-C66 VanDerWaalsContact O-SG 3.34Å |
| 63 | E | 94.8 | Very high | 92 | Very high | 140 Ų | 140 | 90.5 Ų | 90.5 | 65% | 0.654 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.9 | -39.5 | 174.1 | -65.2 | 179.5 | 175 | 0 | 0 | 112.3 | T61 C66 L67 | T61-E63 HydrophobicContact CG2-CB 4.45Å; T61-E63 HydrophobicContact CG2-CG 4.44Å; T61-E63 PolarHBondContact O-N 3.38Å; T61-E63 VanDerWaalsContact O-N 3.16Å; E63-C66 PolarHBondContact O-N 2.99Å; E63-L67 WeakPolarHBondContact O-CB 3.44Å; E63-L67 PolarHBondContact O-N 2.93Å |
| 64 | D | 95.2 | Very high | 91 | Very high | 12 Ų | 12 | 91.2 Ų | 91.2 | 6% | 0.064 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -69.5 | -37.9 | -179.5 | -49.6 | -41.8 | 0 | 0 | 0 | 110 | L51 K57 T61 L67 A68 | L51-D64 HydrophobicContact CB-CB 4.31Å; L51-D64 WeakPolarHBondContact CD1-O 3.35Å; K57-D64 IonicContact NZ-OD1 2.95Å; K57-D64 PolarHBondContact NZ-OD1 3.44Å; K57-D64 IonicContact NZ-OD2 3.73Å; K57-D64 PolarHBondContact NZ-OD2 3.22Å; T61-D64 WeakPolarHBondContact CB-OD2 3.27Å; T61-D64 PolarHBondContact N-OD2 3.15Å; T61-D64 WeakPolarHBondContact O-CB 3.25Å; T61-D64 PolarHBondContact O-N 3Å; T61-D64 PolarHBondContact OG1-OD2 3.39Å; D64-L67 PolarHBondContact O-N 3.34Å; D64-A68 PolarHBondContact O-N 3.45Å |
| 65 | V | 95.6 | Very high | 89.8 | Confident | 40 Ų | 40 | 89.3 Ų | 89.3 | 24% | 0.242 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 172.4 | 179 | 0 | 0 | 0 | 0 | 111.4 | L44 L45 A48 T61 A62 L67 A68 I69 | L44-V65 HydrophobicContact CD2-CG1 3.71Å; L45-V65 HydrophobicContact CD2-CG2 4.46Å; A48-V65 HydrophobicContact CB-CB 4.46Å; A48-V65 HydrophobicContact CB-CG2 3.87Å; T61-V65 PolarHBondContact O-N 3.49Å; A62-V65 PolarHBondContact O-N 3.15Å; V65-L67 VanDerWaalsContact C-N 3.28Å; V65-L67 PolarHBondContact O-N 3.35Å; V65-A68 PolarHBondContact O-N 3.04Å; V65-I69 HydrophobicContact CG1-CD1 4.22Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 3.22Å |
| 66 | C | 94.8 | Very high | 88.4 | Confident | 64 Ų | 64 | 90.9 Ų | 90.9 | 43% | 0.432 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 175.6 | -76.2 | 0 | 0 | 0 | 0 | 112.1 | A62 E63 R70 | A62-C66 PolarHBondContact O-N 3.02Å; A62-C66 PolarHBondContact O-SG 3.12Å; A62-C66 VanDerWaalsContact O-SG 3.34Å; E63-C66 PolarHBondContact O-N 2.99Å; C66-R70 WeakPolarHBondContact O-CG 3.36Å; C66-R70 PolarHBondContact O-N 3.16Å; C66-R70 VanDerWaalsContact O-N 3.16Å |
| 67 | L | 94 | Very high | 87.3 | Confident | 77 Ų | 77 | 86.2 Ų | 86.2 | 40% | 0.403 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 175.7 | -179.1 | 59.8 | 0 | 0 | 0 | 111.4 | L51 E63 D64 V65 I69 R70 L71 | L51-L67 HydrophobicContact CD1-CB 3.99Å; L51-L67 HydrophobicContact CD1-CD2 3.93Å; L51-L67 HydrophobicContact CD1-CG 3.81Å; L51-L67 HydrophobicContact CD2-CD2 3.92Å; L51-L67 HydrophobicContact CD2-CG 4.47Å; L51-L67 HydrophobicContact CG-CD2 4.46Å; E63-L67 WeakPolarHBondContact O-CB 3.44Å; E63-L67 PolarHBondContact O-N 2.93Å; D64-L67 PolarHBondContact O-N 3.34Å; V65-L67 VanDerWaalsContact C-N 3.28Å; V65-L67 PolarHBondContact O-N 3.35Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-I69 PolarHBondContact O-N 3.38Å; L67-R70 PolarHBondContact O-N 3.26Å; L67-L71 HydrophobicContact CD1-CD1 4.43Å; L67-L71 HydrophobicContact CD1-CG 4.39Å; L67-L71 HydrophobicContact CG-CD1 4.17Å; L67-L71 WeakPolarHBondContact O-CG 3.26Å; L67-L71 PolarHBondContact O-N 3.46Å |
| 68 | A | 93.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 87.6 Ų | 87.6 | 1% | 0.008 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L44 D47 A48 L51 D64 V65 L71 N72 | L44-A68 HydrophobicContact CG-CB 4.42Å; D47-A68 HydrophobicContact CB-CB 4.03Å; A48-A68 HydrophobicContact CB-CB 4.15Å; L51-A68 HydrophobicContact CD1-CB 4.01Å; D64-A68 PolarHBondContact O-N 3.45Å; V65-A68 PolarHBondContact O-N 3.04Å; A68-L71 PolarHBondContact O-N 3.07Å; A68-N72 WeakPolarHBondContact O-CB 3.48Å; A68-N72 PolarHBondContact O-N 3.07Å |
| 69 | I | 94 | Very high | 86.6 | Confident | 64 Ų | 64 | 83.7 Ų | 83.7 | 33% | 0.328 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.7 | -50 | 174.9 | -66.9 | 164.1 | 0 | 0 | 0 | 110.6 | L44 V65 L67 L71 N72 E73 | L44-I69 HydrophobicContact CD1-CB 4.5Å; L44-I69 HydrophobicContact CD1-CG1 3.57Å; L44-I69 HydrophobicContact CD2-CG1 4.11Å; L44-I69 HydrophobicContact CG-CG1 4.34Å; V65-I69 HydrophobicContact CG1-CD1 4.22Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 3.22Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-I69 PolarHBondContact O-N 3.38Å; I69-L71 PolarHBondContact O-N 3.37Å; I69-N72 WeakPolarHBondContact O-CB 3.28Å; I69-N72 PolarHBondContact O-N 3Å; I69-N72 VanDerWaalsContact O-N 3.07Å; I69-E73 HydrophobicContact CG2-CG 4.33Å; I69-E73 WeakPolarHBondContact O-CG 2.95Å; I69-E73 PolarHBondContact O-N 3.23Å |
| 70 | R | 91.8 | Very high | 86.4 | Confident | 160 Ų | 160 | 86.7 Ų | 86.7 | 60% | 0.604 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.6 | -44.6 | -179.1 | -71.5 | 173.5 | -176.8 | 176.2 | 2.5 | 112.3 | C66 L67 N72 E73 E74 | C66-R70 WeakPolarHBondContact O-CG 3.36Å; C66-R70 PolarHBondContact O-N 3.16Å; C66-R70 VanDerWaalsContact O-N 3.16Å; L67-R70 PolarHBondContact O-N 3.26Å; R70-N72 PolarHBondContact O-N 3.04Å; R70-E73 PolarHBondContact O-N 3.19Å; R70-E73 VanDerWaalsContact O-N 3.16Å; R70-E74 WeakPolarHBondContact O-CG 3.28Å; R70-E74 PolarHBondContact O-N 2.99Å |
| 71 | L | 89.6 | Confident | 86.2 | Confident | 80 Ų | 80 | 87.1 Ų | 87.1 | 42% | 0.419 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.1 | -32.1 | 176.3 | -70.9 | 170.8 | 0 | 0 | 0 | 112 | L51 L67 A68 I69 | L51-L71 HydrophobicContact CD1-CD1 4.23Å; L51-L71 HydrophobicContact CD2-CD1 4.28Å; L67-L71 HydrophobicContact CD1-CD1 4.43Å; L67-L71 HydrophobicContact CD1-CG 4.39Å; L67-L71 HydrophobicContact CG-CD1 4.17Å; L67-L71 WeakPolarHBondContact O-CG 3.26Å; L67-L71 PolarHBondContact O-N 3.46Å; A68-L71 PolarHBondContact O-N 3.07Å; I69-L71 PolarHBondContact O-N 3.37Å |
| 72 | N | 87.1 | Confident | 85.9 | Confident | 66 Ų | 66 | 86.5 Ų | 86.5 | 35% | 0.353 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -75.8 | -34.8 | 175.5 | -159.6 | 35 | 0 | 0 | 0 | 112.6 | A68 I69 R70 K75 | A68-N72 WeakPolarHBondContact O-CB 3.48Å; A68-N72 PolarHBondContact O-N 3.07Å; I69-N72 WeakPolarHBondContact O-CB 3.28Å; I69-N72 PolarHBondContact O-N 3Å; I69-N72 VanDerWaalsContact O-N 3.07Å; R70-N72 PolarHBondContact O-N 3.04Å; N72-K75 WeakPolarHBondContact O-CB 3.33Å; N72-K75 PolarHBondContact O-N 3.45Å; N72-K75 PolarHBondContact OD1-NZ 3Å |
| 73 | E | 84 | Confident | 85.7 | Confident | 123 Ų | 123 | 87.3 Ų | 87.3 | 58% | 0.575 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.8 | -35.8 | 174.4 | -72.1 | 174.4 | 172.1 | 0 | 0 | 112.3 | I69 R70 K75 C76 | I69-E73 HydrophobicContact CG2-CG 4.33Å; I69-E73 WeakPolarHBondContact O-CG 2.95Å; I69-E73 PolarHBondContact O-N 3.23Å; R70-E73 PolarHBondContact O-N 3.19Å; R70-E73 VanDerWaalsContact O-N 3.16Å; E73-K75 PolarHBondContact O-N 2.87Å; E73-K75 VanDerWaalsContact O-N 3.15Å; E73-C76 CarbonylContact O-C 3.49Å; E73-C76 WeakPolarHBondContact O-CA 3.48Å; E73-C76 PolarHBondContact O-N 3.3Å |
| 74 | E | 71.7 | Confident | 85.6 | Confident | 133 Ų | 133 | 86.9 Ų | 86.9 | 62% | 0.621 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59 | -26.7 | 177.6 | -75.9 | 177.6 | -173.7 | 0 | 0 | 113.1 | R70 C76 S77 | R70-E74 WeakPolarHBondContact O-CG 3.28Å; R70-E74 PolarHBondContact O-N 2.99Å; E74-C76 PolarHBondContact O-N 3.41Å; E74-S77 PolarHBondContact O-N 3.39Å; E74-S77 VanDerWaalsContact O-N 3.13Å |
| 75 | K | 70.1 | Confident | 85.4 | Confident | 157 Ų | 157 | 93.6 Ų | 93.6 | 68% | 0.683 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.9 | 172.7 | -60.7 | 177.1 | -172.4 | 159.9 | 0 | 112.3 | N72 E73 | N72-K75 WeakPolarHBondContact O-CB 3.33Å; N72-K75 PolarHBondContact O-N 3.45Å; N72-K75 PolarHBondContact OD1-NZ 3Å; E73-K75 PolarHBondContact O-N 2.87Å; E73-K75 VanDerWaalsContact O-N 3.15Å |
| 76 | C | 61.4 | Low | 85.3 | Confident | 85 Ų | 85 | 96.2 Ų | 96.2 | 57% | 0.574 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 52.4 | 173.9 | -158.3 | 0 | 0 | 0 | 0 | 109.8 | E73 E74 | E73-C76 CarbonylContact O-C 3.49Å; E73-C76 WeakPolarHBondContact O-CA 3.48Å; E73-C76 PolarHBondContact O-N 3.3Å; E74-C76 PolarHBondContact O-N 3.41Å |
| 77 | S | 67.2 | Low | 85.3 | Confident | 60 Ų | 60 | 94.8 Ų | 94.8 | 42% | 0.42 | 46% | 0.461 | S | S | . | . | trans | -48.5 | 146.5 | 168.5 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | E74 L79 I82 | E74-S77 PolarHBondContact O-N 3.39Å; E74-S77 VanDerWaalsContact O-N 3.13Å; S77-L79 PolarHBondContact O-N 2.98Å; S77-I82 WeakPolarHBondContact OG-CD1 3.36Å | ||
| 78 | D | 78.8 | Confident | 85.3 | Confident | 103 Ų | 103 | 97 Ų | 97 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | trans | -40.7 | 97.5 | -171.7 | 176.3 | 19.1 | 0 | 0 | 0 | 112.1 | R80 S81 I82 | D78-R80 PolarHBondContact O-N 3.47Å; D78-R80 VanDerWaalsContact OD1-CB 3.26Å; D78-R80 WeakPolarHBondContact OD1-CB 3.33Å; D78-R80 PolarHBondContact OD1-N 3.49Å; D78-S81 WeakPolarHBondContact O-CB 3.45Å; D78-S81 PolarHBondContact O-N 3.06Å; D78-S81 PolarHBondContact O-OG 2.99Å; D78-I82 PolarHBondContact O-N 3.16Å | ||
| 79 | L | 83.2 | Confident | 85.4 | Confident | 107 Ų | 107 | 103.1 Ų | 103.1 | 56% | 0.56 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -56.5 | -31.3 | -174.1 | -69.4 | 174.5 | 0 | 0 | 0 | 110.6 | S77 S81 I82 V83 | S77-L79 PolarHBondContact O-N 2.98Å; L79-S81 VanDerWaalsContact C-N 3.32Å; L79-S81 PolarHBondContact O-N 3.02Å; L79-I82 PolarHBondContact O-N 3.26Å; L79-V83 VanDerWaalsContact O-CB 3.29Å; L79-V83 WeakPolarHBondContact O-CB 3.47Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.45Å |
| 80 | R | 87.9 | Confident | 85.3 | Confident | 175 Ų | 175 | 105.8 Ų | 105.8 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -40.9 | 177.6 | -171.7 | -178.9 | -179.1 | 166.5 | 2.2 | 111.6 | D78 R84 | D78-R80 PolarHBondContact O-N 3.47Å; D78-R80 VanDerWaalsContact OD1-CB 3.26Å; D78-R80 WeakPolarHBondContact OD1-CB 3.33Å; D78-R80 PolarHBondContact OD1-N 3.49Å; R80-R84 WeakPolarHBondContact O-CB 3.34Å; R80-R84 PolarHBondContact O-N 3.25Å |
| 81 | S | 86.7 | Confident | 85.4 | Confident | 47 Ų | 47 | 104.2 Ų | 104.2 | 33% | 0.329 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 178.4 | 76.1 | 0 | 0 | 0 | 0 | 111.9 | D78 L79 R85 | D78-S81 WeakPolarHBondContact O-CB 3.45Å; D78-S81 PolarHBondContact O-N 3.06Å; D78-S81 PolarHBondContact O-OG 2.99Å; L79-S81 VanDerWaalsContact C-N 3.32Å; L79-S81 PolarHBondContact O-N 3.02Å; S81-R85 PolarHBondContact O-N 2.79Å |
| 82 | I | 88.4 | Confident | 85.5 | Confident | 46 Ų | 46 | 104.1 Ų | 104.1 | 24% | 0.236 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -66.8 | -50.4 | 178.3 | -66.2 | 165.4 | 0 | 0 | 0 | 110.4 | S77 D78 L79 R84 R85 H86 | S77-I82 WeakPolarHBondContact OG-CD1 3.36Å; D78-I82 PolarHBondContact O-N 3.16Å; L79-I82 PolarHBondContact O-N 3.26Å; I82-R84 VanDerWaalsContact C-N 3.29Å; I82-R84 PolarHBondContact O-N 2.91Å; I82-R85 PolarHBondContact O-N 2.96Å; I82-H86 PolarHBondContact O-N 3.42Å |
| 83 | V | 91 | Very high | 85.6 | Confident | 94 Ų | 94 | 106.3 Ų | 106.3 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.1 | -39.6 | 179.1 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | L79 H86 A87 | L79-V83 VanDerWaalsContact O-CB 3.29Å; L79-V83 WeakPolarHBondContact O-CB 3.47Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.45Å; V83-H86 PolarHBondContact O-N 3.47Å; V83-A87 WeakPolarHBondContact O-CB 3.5Å; V83-A87 PolarHBondContact O-N 3.04Å |
| 84 | R | 92.6 | Very high | 85.8 | Confident | 130 Ų | 130 | 107.4 Ų | 107.4 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.5 | -46.9 | 175.5 | -178.8 | -178.3 | -65.8 | 161.1 | -3.3 | 111.7 | R80 I82 H86 A87 E88 | R80-R84 WeakPolarHBondContact O-CB 3.34Å; R80-R84 PolarHBondContact O-N 3.25Å; I82-R84 VanDerWaalsContact C-N 3.29Å; I82-R84 PolarHBondContact O-N 2.91Å; R84-H86 VanDerWaalsContact C-N 3.34Å; R84-H86 PolarHBondContact O-N 3.34Å; R84-A87 PolarHBondContact O-N 3.4Å; R84-E88 WeakPolarHBondContact CG-OE1 3.37Å; R84-E88 WeakPolarHBondContact O-CG 3.4Å; R84-E88 PolarHBondContact O-N 3.33Å |
| 85 | R | 91.2 | Very high | 86.4 | Confident | 153 Ų | 153 | 108.9 Ų | 108.9 | 58% | 0.577 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57.6 | -47.4 | 177.6 | -176.5 | -171.9 | -65.8 | 125.5 | -1 | 111.2 | S81 I82 A87 E88 E89 | S81-R85 PolarHBondContact O-N 2.79Å; I82-R85 PolarHBondContact O-N 2.96Å; R85-A87 VanDerWaalsContact C-N 3.35Å; R85-E88 PolarHBondContact O-N 3Å; R85-E89 PolarHBondContact O-N 3.17Å; R85-E89 VanDerWaalsContact O-N 3.13Å |
| 86 | H | 93.5 | Very high | 87.1 | Confident | 96 Ų | 96 | 107 Ų | 107 | 44% | 0.444 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.4 | -35.3 | 176.9 | -73 | -35.8 | 0 | 0 | 0 | 112.8 | I82 V83 R84 E89 I90 | I82-H86 PolarHBondContact O-N 3.42Å; V83-H86 PolarHBondContact O-N 3.47Å; R84-H86 VanDerWaalsContact C-N 3.34Å; R84-H86 PolarHBondContact O-N 3.34Å; H86-E89 IonicContact ND1-OE2 3.03Å; H86-E89 PolarHBondContact ND1-OE2 3.44Å; H86-E89 PolarHBondContact O-N 3.45Å; H86-I90 WeakPolarHBondContact O-CB 3.4Å; H86-I90 VanDerWaalsContact O-CG1 3.23Å; H86-I90 WeakPolarHBondContact O-CG1 3.43Å; H86-I90 PolarHBondContact O-N 2.93Å |
| 87 | A | 93.4 | Very high | 88.1 | Confident | 34 Ų | 34 | 107.1 Ų | 107.1 | 28% | 0.281 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.9 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V83 R84 R85 E89 I90 N91 | V83-A87 WeakPolarHBondContact O-CB 3.5Å; V83-A87 PolarHBondContact O-N 3.04Å; R84-A87 PolarHBondContact O-N 3.4Å; R85-A87 VanDerWaalsContact C-N 3.35Å; A87-E89 VanDerWaalsContact C-N 3.34Å; A87-I90 PolarHBondContact O-N 3.49Å; A87-N91 WeakPolarHBondContact O-CB 3.43Å; A87-N91 PolarHBondContact O-N 3.44Å; A87-N91 PolarHBondContact O-ND2 2.75Å |
| 88 | E | 94.3 | Very high | 88.3 | Confident | 123 Ų | 123 | 111.7 Ų | 111.7 | 58% | 0.575 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.4 | -41.1 | 174.5 | -72.4 | 166.4 | -171.4 | 0 | 0 | 111.7 | R84 R85 A92 | R84-E88 WeakPolarHBondContact CG-OE1 3.37Å; R84-E88 WeakPolarHBondContact O-CG 3.4Å; R84-E88 PolarHBondContact O-N 3.33Å; R85-E88 PolarHBondContact O-N 3Å; E88-A92 WeakPolarHBondContact O-CB 3.44Å; E88-A92 PolarHBondContact O-N 2.98Å |
| 89 | E | 94.5 | Very high | 88 | Confident | 130 Ų | 130 | 111.8 Ų | 111.8 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.7 | -45.6 | 176.2 | -176 | 177.1 | -167.2 | 0 | 0 | 112.4 | R85 H86 A87 A92 | R85-E89 PolarHBondContact O-N 3.17Å; R85-E89 VanDerWaalsContact O-N 3.13Å; H86-E89 IonicContact ND1-OE2 3.03Å; H86-E89 PolarHBondContact ND1-OE2 3.44Å; H86-E89 PolarHBondContact O-N 3.45Å; A87-E89 VanDerWaalsContact C-N 3.34Å; E89-A92 PolarHBondContact O-N 3.05Å |
| 90 | I | 93.1 | Very high | 87.4 | Confident | 119 Ų | 119 | 115.1 Ų | 115.1 | 61% | 0.61 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.2 | -43.9 | 177.7 | -67.5 | 165.4 | 0 | 0 | 0 | 110.6 | H86 A87 A92 V93 | H86-I90 WeakPolarHBondContact O-CB 3.4Å; H86-I90 VanDerWaalsContact O-CG1 3.23Å; H86-I90 WeakPolarHBondContact O-CG1 3.43Å; H86-I90 PolarHBondContact O-N 2.93Å; A87-I90 PolarHBondContact O-N 3.49Å; I90-A92 PolarHBondContact O-N 3.34Å; I90-V93 PolarHBondContact O-N 2.94Å |
| 91 | N | 92.7 | Very high | 86.3 | Confident | 128 Ų | 128 | 113.6 Ų | 113.6 | 68% | 0.684 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -75.3 | -9.4 | -177.8 | -64 | -21 | 0 | 0 | 0 | 113.2 | A87 | A87-N91 WeakPolarHBondContact O-CB 3.43Å; A87-N91 PolarHBondContact O-N 3.44Å; A87-N91 PolarHBondContact O-ND2 2.75Å |
| 92 | A | 92.8 | Very high | 85 | Confident | 77 Ų | 77 | 117.1 Ų | 117.1 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -15 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E88 E89 I90 D94 | E88-A92 WeakPolarHBondContact O-CB 3.44Å; E88-A92 PolarHBondContact O-N 2.98Å; E89-A92 PolarHBondContact O-N 3.05Å; I90-A92 PolarHBondContact O-N 3.34Å; A92-D94 PolarHBondContact O-N 3.22Å |
| 93 | V | 89.9 | Confident | 83.9 | Confident | 112 Ų | 112 | 120 Ų | 120 | 68% | 0.679 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -83.6 | 113.5 | 173.5 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | I90 | I90-V93 PolarHBondContact O-N 2.94Š|
| 94 | D | 87.1 | Confident | 82.7 | Confident | 147 Ų | 147 | 119.1 Ų | 119.1 | 79% | 0.786 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 144.6 | 174.1 | -71.1 | -33.8 | 0 | 0 | 0 | 110.6 | A92 | A92-D94 PolarHBondContact O-N 3.22Š|
| 95 | L | 84.9 | Confident | 81.2 | Confident | 163 Ų | 163 | 115.9 Ų | 115.9 | 85% | 0.853 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 139 | 177.7 | -71 | 167.3 | 0 | 0 | 0 | 110.3 | A97 | L95-A97 PolarHBondContact O-N 3.16Š|
| 96 | P | 84.5 | Confident | 79.8 | Confident | 119 Ų | 119 | 111.4 Ų | 111.4 | 77% | 0.773 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 136 | 171.9 | -24.3 | 33.2 | 0 | 0 | 0 | 110.6 | F98 | P96-F98 PolarHBondContact O-N 3.43Š|
| 97 | A | 82 | Confident | 78.1 | Confident | 87 Ų | 87 | 109.5 Ų | 109.5 | 72% | 0.719 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 131.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L95 N99 | L95-A97 PolarHBondContact O-N 3.16Å; A97-N99 PolarHBondContact O-N 3.15Å |
| 98 | F | 72.4 | Confident | 76.3 | Confident | 156 Ų | 156 | 114.1 Ų | 114.1 | 68% | 0.684 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 120.4 | 172.7 | -177.6 | -93.7 | 0 | 0 | 0 | 108.8 | P96 E100 | P96-F98 PolarHBondContact O-N 3.43Å; F98-E100 HydrophobicContact CE1-CG 4.37Å |
| 99 | N | 72.1 | Confident | 74.6 | Confident | 104 Ų | 104 | 113.7 Ų | 113.7 | 56% | 0.556 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 134.9 | 166.6 | -63.4 | -36.8 | 0 | 0 | 0 | 107.4 | A97 D101 F102 | A97-N99 PolarHBondContact O-N 3.15Å; N99-D101 PolarHBondContact O-N 3Å; N99-F102 WeakPolarHBondContact O-CB 3.42Å; N99-F102 PolarHBondContact O-N 3.16Å |
| 100 | E | 69.4 | Low | 72.8 | Confident | 178 Ų | 178 | 110.2 Ų | 110.2 | 83% | 0.832 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -20.6 | 179 | -66.4 | -178.1 | 161.7 | 0 | 0 | 112.9 | F98 F102 | F98-E100 HydrophobicContact CE1-CG 4.37Å; E100-F102 VanDerWaalsContact C-N 3.31Å |
| 101 | D | 64.8 | Low | 71.1 | Confident | 143 Ų | 143 | 110 Ų | 110 | 77% | 0.765 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -1.6 | 175.1 | -54.6 | -31.2 | 0 | 0 | 0 | 113.8 | N99 D103 | N99-D101 PolarHBondContact O-N 3Å; D101-D103 VanDerWaalsContact C-N 3.26Å; D101-D103 PolarHBondContact O-N 2.91Å |
| 102 | F | 60.4 | Low | 69.8 | Low | 121 Ų | 121 | 110.9 Ų | 110.9 | 53% | 0.531 | 64% | 0.636 | S | S | . | * | trans | -77.8 | 76.7 | -179.6 | -162.9 | -93 | 0 | 0 | 0 | 110.7 | N99 E100 | N99-F102 WeakPolarHBondContact O-CB 3.42Å; N99-F102 PolarHBondContact O-N 3.16Å; E100-F102 VanDerWaalsContact C-N 3.31Å | ||
| 103 | D | 65.3 | Low | 68.5 | Low | 107 Ų | 107 | 109.9 Ų | 109.9 | 57% | 0.572 | 62% | 0.62 | S | S | * | * | trans | -76 | 147.1 | 166 | -75.5 | -26.3 | 0 | 0 | 0 | 109.7 | D101 S105 T106 | D101-D103 VanDerWaalsContact C-N 3.26Å; D101-D103 PolarHBondContact O-N 2.91Å; D103-S105 VanDerWaalsContact CB-OG 3.23Å; D103-S105 WeakPolarHBondContact CB-OG 3.16Å; D103-S105 PolarHBondContact O-N 3.31Å; D103-T106 PolarHBondContact O-N 3.07Å; D103-T106 PolarHBondContact O-OG1 2.87Å | ||
| 104 | A | 66.7 | Low | 67.6 | Low | 75 Ų | 75 | 109.1 Ų | 109.1 | 62% | 0.62 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -55 | -11.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S107 L108 | A104-S107 PolarHBondContact O-OG 2.9Å; A104-L108 PolarHBondContact O-N 3.26Å |
| 105 | S | 59.7 | Low | 66.6 | Low | 61 Ų | 61 | 110 Ų | 110 | 43% | 0.427 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.7 | -31.9 | 171.5 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | D103 L108 T109 | D103-S105 VanDerWaalsContact CB-OG 3.23Å; D103-S105 WeakPolarHBondContact CB-OG 3.16Å; D103-S105 PolarHBondContact O-N 3.31Å; S105-L108 CarbonylContact O-C 3.59Å; S105-L108 WeakPolarHBondContact O-CB 3.35Å; S105-L108 PolarHBondContact O-N 3.13Å; S105-L108 VanDerWaalsContact O-N 3.15Å; S105-T109 WeakPolarHBondContact O-CG2 3.17Å; S105-T109 PolarHBondContact O-N 3.21Å; S105-T109 PolarHBondContact O-OG1 3.4Å |
| 106 | T | 61.4 | Low | 65.6 | Low | 59 Ų | 59 | 107.8 Ų | 107.8 | 36% | 0.362 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.5 | -32.3 | -179.8 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | D103 T109 S110 | D103-T106 PolarHBondContact O-N 3.07Å; D103-T106 PolarHBondContact O-OG1 2.87Å; T106-T109 PolarHBondContact O-N 2.76Å; T106-T109 PolarHBondContact O-OG1 3.08Å; T106-T109 VanDerWaalsContact O-OG1 3.07Å; T106-S110 PolarHBondContact O-N 3.07Å |
| 107 | S | 58.8 | Low | 64.9 | Low | 56 Ų | 56 | 110.9 Ų | 110.9 | 39% | 0.392 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.8 | -35.1 | 169.3 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | A104 T109 S110 N113 | A104-S107 PolarHBondContact O-OG 2.9Å; S107-T109 VanDerWaalsContact C-N 3.33Å; S107-T109 PolarHBondContact O-N 2.91Å; S107-S110 WeakPolarHBondContact O-CB 3.45Å; S107-S110 PolarHBondContact O-N 3.42Å; S107-N113 PolarHBondContact O-ND2 3.49Å |
| 108 | L | 56.2 | Low | 64.2 | Low | 131 Ų | 131 | 112 Ų | 112 | 69% | 0.686 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.3 | -28 | 173.5 | -76.9 | 166 | 0 | 0 | 0 | 113.8 | A104 S105 N113 | A104-L108 PolarHBondContact O-N 3.26Å; S105-L108 CarbonylContact O-C 3.59Å; S105-L108 WeakPolarHBondContact O-CB 3.35Å; S105-L108 PolarHBondContact O-N 3.13Å; S105-L108 VanDerWaalsContact O-N 3.15Å; L108-N113 WeakPolarHBondContact CA-ND2 3.39Å; L108-N113 PolarHBondContact O-ND2 2.97Å |
| 109 | T | 57.6 | Low | 64.3 | Low | 114 Ų | 114 | 114.2 Ų | 114.2 | 70% | 0.699 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -88.4 | -12.1 | 175.6 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | S105 T106 S107 L111 | S105-T109 WeakPolarHBondContact O-CG2 3.17Å; S105-T109 PolarHBondContact O-N 3.21Å; S105-T109 PolarHBondContact O-OG1 3.4Å; T106-T109 PolarHBondContact O-N 2.76Å; T106-T109 PolarHBondContact O-OG1 3.08Å; T106-T109 VanDerWaalsContact O-OG1 3.07Å; S107-T109 VanDerWaalsContact C-N 3.33Å; S107-T109 PolarHBondContact O-N 2.91Å; T109-L111 PolarHBondContact O-N 2.72Å |
| 110 | S | 57.7 | Low | 64.4 | Low | 57 Ų | 57 | 117.9 Ų | 117.9 | 40% | 0.399 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -60.9 | 131.5 | 172.3 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | T106 S107 D112 N113 | T106-S110 PolarHBondContact O-N 3.07Å; S107-S110 WeakPolarHBondContact O-CB 3.45Å; S107-S110 PolarHBondContact O-N 3.42Å; S110-D112 PolarHBondContact O-N 3.29Å; S110-N113 PolarHBondContact O-N 3.22Å; S110-N113 PolarHBondContact O-ND2 2.76Å; S110-N113 VanDerWaalsContact O-ND2 3.08Å |
| 111 | L | 57.4 | Low | 64.7 | Low | 114 Ų | 114 | 114.4 Ų | 114.4 | 60% | 0.597 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -6.8 | -172.5 | -151.7 | 77.1 | 0 | 0 | 0 | 114 | T109 N113 R116 | T109-L111 PolarHBondContact O-N 2.72Å; L111-N113 VanDerWaalsContact C-N 3.35Å; L111-R116 VanDerWaalsContact CD2-CZ 3.41Å; L111-R116 VanDerWaalsContact CD2-NH2 3.29Å; L111-R116 WeakPolarHBondContact O-CD 3.42Å |
| 112 | D | 65.1 | Low | 65.2 | Low | 147 Ų | 147 | 116.7 Ų | 116.7 | 79% | 0.786 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 0.1 | -179 | -70.9 | -26.1 | 0 | 0 | 0 | 113.9 | S110 | S110-D112 PolarHBondContact O-N 3.29Š|
| 113 | N | 65.2 | Low | 66.1 | Low | 56 Ų | 56 | 114.6 Ų | 114.6 | 30% | 0.299 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -75.2 | 142.6 | 177.3 | -65.1 | -40.5 | 0 | 0 | 0 | 112.7 | S107 L108 S110 L111 M115 R116 | S107-N113 PolarHBondContact O-ND2 3.49Å; L108-N113 WeakPolarHBondContact CA-ND2 3.39Å; L108-N113 PolarHBondContact O-ND2 2.97Å; S110-N113 PolarHBondContact O-N 3.22Å; S110-N113 PolarHBondContact O-ND2 2.76Å; S110-N113 VanDerWaalsContact O-ND2 3.08Å; L111-N113 VanDerWaalsContact C-N 3.35Å; N113-M115 PolarHBondContact O-N 3.47Å; N113-R116 PolarHBondContact O-N 3.15Å |
| 114 | A | 70.7 | Confident | 66.9 | Low | 96 Ų | 96 | 114.8 Ų | 114.8 | 79% | 0.793 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -8.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R116 | A114-R116 PolarHBondContact O-N 3.45Š|
| 115 | M | 66.6 | Low | 67.3 | Low | 166 Ų | 166 | 117.3 Ų | 117.3 | 82% | 0.818 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -9 | 173.4 | -71 | -64 | -58.3 | 0 | 0 | 113.6 | N113 E117 | N113-M115 PolarHBondContact O-N 3.47Å; M115-E117 PolarHBondContact O-N 2.93Å; M115-E117 VanDerWaalsContact O-N 3.17Å |
| 116 | R | 64.3 | Low | 68.1 | Low | 117 Ų | 117 | 120.1 Ų | 120.1 | 44% | 0.442 | 61% | 0.612 | S | S | . | * | trans | -59.9 | 122.8 | -180 | -161.6 | 170.2 | -178.9 | -175.7 | 1.6 | 109.8 | L111 N113 A114 N118 | L111-R116 VanDerWaalsContact CD2-CZ 3.41Å; L111-R116 VanDerWaalsContact CD2-NH2 3.29Å; L111-R116 WeakPolarHBondContact O-CD 3.42Å; N113-R116 PolarHBondContact O-N 3.15Å; A114-R116 PolarHBondContact O-N 3.45Å; R116-N118 WeakPolarHBondContact CD-ND2 3.17Å; R116-N118 PolarHBondContact NE-ND2 3.49Å; R116-N118 PolarHBondContact O-N 2.7Å | ||
| 117 | E | 68.7 | Low | 68.8 | Low | 184 Ų | 184 | 122.4 Ų | 122.4 | 86% | 0.86 | 62% | 0.618 | S | S | * | * | trans | -71.8 | 45.2 | -177.8 | -58.6 | 179.3 | 170.2 | 0 | 0 | 112.7 | M115 Y119 | M115-E117 PolarHBondContact O-N 2.93Å; M115-E117 VanDerWaalsContact O-N 3.17Å; E117-Y119 PolarHBondContact O-N 3.4Å | ||
| 118 | N | 67.8 | Low | 69.6 | Low | 109 Ų | 109 | 124 Ų | 124 | 58% | 0.583 | 62% | 0.621 | S | S | * | * | trans | -86 | 16.4 | 177.5 | -74.7 | -14.9 | 0 | 0 | 0 | 112.7 | R116 Q120 | R116-N118 WeakPolarHBondContact CD-ND2 3.17Å; R116-N118 PolarHBondContact NE-ND2 3.49Å; R116-N118 PolarHBondContact O-N 2.7Å; N118-Q120 PolarHBondContact O-N 2.95Å; N118-Q120 VanDerWaalsContact O-N 3.15Å | ||
| 119 | Y | 74.7 | Confident | 70.5 | Confident | 204 Ų | 204 | 122.2 Ų | 122.2 | 80% | 0.8 | 61% | 0.612 | S | S | * | * | trans | -75.3 | 102 | 170.6 | -62.1 | -79.8 | 0 | 0 | 0 | 108.8 | E117 | E117-Y119 PolarHBondContact O-N 3.4Š| ||
| 120 | Q | 72.9 | Confident | 71.4 | Confident | 180 Ų | 180 | 121.9 Ų | 121.9 | 84% | 0.841 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 132.6 | 172.4 | -64.6 | -176.3 | 4.6 | 0 | 0 | 109.9 | N118 R122 | N118-Q120 PolarHBondContact O-N 2.95Å; N118-Q120 VanDerWaalsContact O-N 3.15Å; Q120-R122 PolarHBondContact O-N 2.85Å |
| 121 | L | 76.9 | Confident | 72.2 | Confident | 105 Ų | 105 | 125.9 Ų | 125.9 | 55% | 0.55 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 134.6 | 171.7 | -158.4 | 71 | 0 | 0 | 0 | 109 | S123 F125 | L121-S123 PolarHBondContact O-N 3.02Å; L121-F125 HydrophobicContact CD1-CB 4.22Å; L121-F125 HydrophobicContact CD2-CB 3.64Å; L121-F125 HydrophobicContact CG-CB 3.63Å |
| 122 | R | 76.1 | Confident | 72.9 | Confident | 192 Ų | 192 | 126.3 Ų | 126.3 | 73% | 0.725 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 141 | 174.9 | -67.6 | -177.4 | 179.2 | -174.2 | 0.1 | 109.6 | Q120 D124 F125 K126 | Q120-R122 PolarHBondContact O-N 2.85Å; R122-D124 PolarHBondContact O-N 3.31Å; R122-D124 VanDerWaalsContact O-N 3.08Å; R122-F125 HydrophobicContact CB-CD2 4.32Å; R122-F125 WeakPolarHBondContact O-CB 3.2Å; R122-F125 PolarHBondContact O-N 3.44Å; R122-K126 PolarHBondContact O-N 2.88Å; R122-K126 VanDerWaalsContact O-N 3.1Å |
| 123 | S | 78.4 | Confident | 72.9 | Confident | 76 Ų | 76 | 124.2 Ų | 124.2 | 53% | 0.531 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -49.7 | -37.8 | -176.6 | 42 | 0 | 0 | 0 | 0 | 113.7 | L121 F125 K126 Q127 | L121-S123 PolarHBondContact O-N 3.02Å; S123-F125 VanDerWaalsContact C-N 3.34Å; S123-F125 PolarHBondContact O-N 3.22Å; S123-K126 PolarHBondContact O-N 3.36Å; S123-Q127 WeakPolarHBondContact O-CG 3.26Å; S123-Q127 PolarHBondContact O-N 3.06Å |
| 124 | D | 81 | Confident | 72.8 | Confident | 111 Ų | 111 | 127.4 Ų | 127.4 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.2 | -41.6 | -179.1 | -48.9 | -25.7 | 0 | 0 | 0 | 111.5 | R122 L128 | R122-D124 PolarHBondContact O-N 3.31Å; R122-D124 VanDerWaalsContact O-N 3.08Å; D124-L128 PolarHBondContact O-N 3.05Å; D124-L128 VanDerWaalsContact O-N 3.13Å |
| 125 | F | 76 | Confident | 72.1 | Confident | 128 Ų | 128 | 127.7 Ų | 127.7 | 56% | 0.561 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.2 | -35.7 | 175.9 | -82.5 | -78.5 | 0 | 0 | 0 | 111.8 | L121 R122 S123 L128 L129 | L121-F125 HydrophobicContact CD1-CB 4.22Å; L121-F125 HydrophobicContact CD2-CB 3.64Å; L121-F125 HydrophobicContact CG-CB 3.63Å; R122-F125 HydrophobicContact CB-CD2 4.32Å; R122-F125 WeakPolarHBondContact O-CB 3.2Å; R122-F125 PolarHBondContact O-N 3.44Å; S123-F125 VanDerWaalsContact C-N 3.34Å; S123-F125 PolarHBondContact O-N 3.22Å; F125-L128 PolarHBondContact O-N 3.21Å; F125-L129 WeakPolarHBondContact O-CB 3.29Å; F125-L129 PolarHBondContact O-N 2.78Å |
| 126 | K | 76.5 | Confident | 71.2 | Confident | 121 Ų | 121 | 125 Ų | 125 | 53% | 0.526 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.5 | -43.7 | 175.9 | -169.3 | 177.5 | 178.9 | -179.1 | 0 | 111.4 | R122 S123 L128 L129 E130 | R122-K126 PolarHBondContact O-N 2.88Å; R122-K126 VanDerWaalsContact O-N 3.1Å; S123-K126 PolarHBondContact O-N 3.36Å; K126-L128 VanDerWaalsContact C-N 3.33Å; K126-L128 PolarHBondContact O-N 2.79Å; K126-L129 PolarHBondContact O-N 2.88Å; K126-E130 PolarHBondContact O-N 2.85Å |
| 127 | Q | 76 | Confident | 70.2 | Confident | 106 Ų | 106 | 122.4 Ų | 122.4 | 50% | 0.495 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.9 | -36.5 | 175.2 | -69.5 | 176.8 | 17 | 0 | 0 | 112.4 | S123 K131 | S123-Q127 WeakPolarHBondContact O-CG 3.26Å; S123-Q127 PolarHBondContact O-N 3.06Å; Q127-K131 WeakPolarHBondContact O-CB 3.21Å; Q127-K131 WeakPolarHBondContact O-CG 3.23Å; Q127-K131 PolarHBondContact O-N 3.33Å |
| 128 | L | 76.2 | Confident | 69.2 | Low | 89 Ų | 89 | 117.8 Ų | 117.8 | 47% | 0.466 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.1 | -40.1 | 176.8 | -154.1 | 158.6 | 0 | 0 | 0 | 111.2 | D124 F125 K126 K131 M132 | D124-L128 PolarHBondContact O-N 3.05Å; D124-L128 VanDerWaalsContact O-N 3.13Å; F125-L128 PolarHBondContact O-N 3.21Å; K126-L128 VanDerWaalsContact C-N 3.33Å; K126-L128 PolarHBondContact O-N 2.79Å; L128-K131 PolarHBondContact O-N 3.13Å; L128-M132 HydrophobicContact CD2-CE 3.8Å; L128-M132 HydrophobicContact CD2-CG 4.35Å; L128-M132 HydrophobicContact CD2-SD 4.11Å; L128-M132 PolarHBondContact O-N 3.37Å |
| 129 | L | 74 | Confident | 68.4 | Low | 95 Ų | 95 | 119 Ų | 119 | 50% | 0.497 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.4 | -44.1 | 175.3 | -157.8 | 89.4 | 0 | 0 | 0 | 111.8 | F125 K126 K131 M132 N133 | F125-L129 WeakPolarHBondContact O-CB 3.29Å; F125-L129 PolarHBondContact O-N 2.78Å; K126-L129 PolarHBondContact O-N 2.88Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 2.9Å; L129-M132 PolarHBondContact O-N 3.44Å; L129-N133 PolarHBondContact O-N 3.41Å |
| 130 | E | 76.4 | Confident | 67.5 | Low | 107 Ų | 107 | 115 Ų | 115 | 50% | 0.5 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.6 | -36.9 | 176.1 | -77.3 | 174 | -174.7 | 0 | 0 | 111.8 | K126 N133 T134 | K126-E130 PolarHBondContact O-N 2.85Å; E130-N133 PolarHBondContact O-N 3.45Å; E130-T134 WeakPolarHBondContact O-CB 3.46Å; E130-T134 WeakPolarHBondContact O-CG2 3.23Å; E130-T134 PolarHBondContact O-N 2.88Å; E130-T134 VanDerWaalsContact O-N 3.09Å; E130-T134 PolarHBondContact O-OG1 3.23Å |
| 131 | K | 75.7 | Confident | 66.7 | Low | 141 Ų | 141 | 108.2 Ų | 108.2 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.5 | -35.2 | 173.9 | -74.7 | 170.7 | -175.1 | 177.3 | 0 | 112.8 | Q127 L128 L129 S135 | Q127-K131 WeakPolarHBondContact O-CB 3.21Å; Q127-K131 WeakPolarHBondContact O-CG 3.23Å; Q127-K131 PolarHBondContact O-N 3.33Å; L128-K131 PolarHBondContact O-N 3.13Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 2.9Å; K131-S135 WeakPolarHBondContact O-CB 3.4Å |
| 132 | M | 71.3 | Confident | 65.4 | Low | 122 Ų | 122 | 109.1 Ų | 109.1 | 60% | 0.601 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.4 | -44.8 | 174.6 | -80.2 | -176.6 | 172.1 | 0 | 0 | 111.7 | L128 L129 T134 S135 M136 | L128-M132 HydrophobicContact CD2-CE 3.8Å; L128-M132 HydrophobicContact CD2-CG 4.35Å; L128-M132 HydrophobicContact CD2-SD 4.11Å; L128-M132 PolarHBondContact O-N 3.37Å; L129-M132 PolarHBondContact O-N 3.44Å; M132-T134 VanDerWaalsContact C-N 3.33Å; M132-T134 PolarHBondContact O-N 3.18Å; M132-S135 PolarHBondContact O-N 3.32Å; M132-M136 PolarHBondContact O-N 2.83Å |
| 133 | N | 65.4 | Low | 64.2 | Low | 103 Ų | 103 | 106.1 Ų | 106.1 | 55% | 0.551 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.8 | -23.9 | -176.5 | -71 | -10 | 0 | 0 | 0 | 113.9 | L129 E130 | L129-N133 PolarHBondContact O-N 3.41Å; E130-N133 PolarHBondContact O-N 3.45Å |
| 134 | T | 62.7 | Low | 63.1 | Low | 123 Ų | 123 | 105.7 Ų | 105.7 | 76% | 0.755 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -87.7 | -12.8 | 176.4 | 47.9 | 0 | 0 | 0 | 0 | 113.6 | E130 M132 | E130-T134 WeakPolarHBondContact O-CB 3.46Å; E130-T134 WeakPolarHBondContact O-CG2 3.23Å; E130-T134 PolarHBondContact O-N 2.88Å; E130-T134 VanDerWaalsContact O-N 3.09Å; E130-T134 PolarHBondContact O-OG1 3.23Å; M132-T134 VanDerWaalsContact C-N 3.33Å; M132-T134 PolarHBondContact O-N 3.18Å |
| 135 | S | 57.2 | Low | 61.9 | Low | 102 Ų | 102 | 106.8 Ų | 106.8 | 71% | 0.713 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -100.9 | -7.1 | -178.9 | -175.2 | 0 | 0 | 0 | 0 | 114.5 | K131 M132 | K131-S135 WeakPolarHBondContact O-CB 3.4Å; M132-S135 PolarHBondContact O-N 3.32Å |
| 136 | M | 47.3 | Very low | 60.8 | Low | 110 Ų | 110 | 108.8 Ų | 108.8 | 54% | 0.542 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -125.7 | 112.4 | 174.8 | -96.2 | 155.2 | 78.3 | 0 | 0 | 107.9 | M132 C138 V141 | M132-M136 PolarHBondContact O-N 2.83Å; M136-C138 PolarHBondContact O-N 3.46Å; M136-V141 HydrophobicContact CB-CG2 4.06Å; M136-V141 HydrophobicContact CE-CB 4.12Å; M136-V141 HydrophobicContact CE-CG1 3.69Å; M136-V141 HydrophobicContact CE-CG2 3.31Å; M136-V141 HydrophobicContact CG-CG2 4.32Å |
| 137 | A | 42 | Very low | 59.7 | Low | 63 Ų | 63 | 109.8 Ų | 109.8 | 52% | 0.521 | 60% | 0.599 | S | S | . | * | trans | -54.5 | 113 | 160.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | D139 D140 | A137-D139 PolarHBondContact O-N 3.06Å; A137-D140 PolarHBondContact O-N 2.91Å | ||
| 138 | C | 48.7 | Very low | 58.4 | Low | 87 Ų | 87 | 110.3 Ų | 110.3 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -55.5 | -17.4 | -176.4 | -73.8 | 0 | 0 | 0 | 0 | 113.1 | M136 D140 V141 | M136-C138 PolarHBondContact O-N 3.46Å; C138-D140 VanDerWaalsContact C-N 3.34Å; C138-D140 PolarHBondContact O-N 2.87Å; C138-V141 PolarHBondContact O-N 3.49Å |
| 139 | D | 51.7 | Low | 56.6 | Low | 133 Ų | 133 | 109.2 Ų | 109.2 | 71% | 0.711 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.3 | -25.8 | 177.1 | -67.2 | -22.4 | 0 | 0 | 0 | 113.5 | A137 | A137-D139 PolarHBondContact O-N 3.06Å |
| 140 | D | 55.5 | Low | 54.8 | Low | 120 Ų | 120 | 112.7 Ų | 112.7 | 64% | 0.642 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -81.9 | -23.8 | 177 | -71.2 | -31.6 | 0 | 0 | 0 | 112.4 | A137 C138 A144 | A137-D140 PolarHBondContact O-N 2.91Å; C138-D140 VanDerWaalsContact C-N 3.34Å; C138-D140 PolarHBondContact O-N 2.87Å; D140-A144 WeakPolarHBondContact O-CB 3.38Å; D140-A144 PolarHBondContact O-N 3.38Å |
| 141 | V | 54.8 | Low | 53.4 | Low | 38 Ų | 38 | 112 Ų | 112 | 23% | 0.23 | 65% | 0.651 | C | S | . | * | H | α-helix | trans | -79.1 | -35.7 | -173.1 | -161.1 | 0 | 0 | 0 | 0 | 111.6 | M136 C138 A144 L145 | M136-V141 HydrophobicContact CB-CG2 4.06Å; M136-V141 HydrophobicContact CE-CB 4.12Å; M136-V141 HydrophobicContact CE-CG1 3.69Å; M136-V141 HydrophobicContact CE-CG2 3.31Å; M136-V141 HydrophobicContact CG-CG2 4.32Å; C138-V141 PolarHBondContact O-N 3.49Å; V141-A144 PolarHBondContact O-N 3.33Å; V141-L145 HydrophobicContact CG1-CD1 3.72Å; V141-L145 HydrophobicContact CG1-CG 4.3Å; V141-L145 WeakPolarHBondContact O-CB 3.38Å; V141-L145 WeakPolarHBondContact O-CD1 3.2Å; V141-L145 WeakPolarHBondContact O-CG 3.09Å; V141-L145 PolarHBondContact O-N 3.03Å |
| 142 | L | 50.4 | Low | 51.5 | Low | 124 Ų | 124 | 108.9 Ų | 108.9 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.4 | -34.4 | -178.9 | -123.3 | 148.3 | 0 | 0 | 0 | 111.8 | ||
| 143 | N | 50.8 | Low | 50.3 | Low | 129 Ų | 129 | 111 Ų | 111 | 69% | 0.69 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.3 | -25.5 | 174.2 | -69.1 | -34 | 0 | 0 | 0 | 113.1 | ||
| 144 | A | 55.8 | Low | 49.4 | Very low | 68 Ų | 68 | 111.6 Ų | 111.6 | 56% | 0.562 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -83.2 | -21.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D140 V141 | D140-A144 WeakPolarHBondContact O-CB 3.38Å; D140-A144 PolarHBondContact O-N 3.38Å; V141-A144 PolarHBondContact O-N 3.33Å |
| 145 | L | 54.5 | Low | 48.5 | Very low | 133 Ų | 133 | 113.4 Ų | 113.4 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -86 | -14.2 | -176.4 | -81.7 | 167.2 | 0 | 0 | 0 | 114.5 | V141 | V141-L145 HydrophobicContact CG1-CD1 3.72Å; V141-L145 HydrophobicContact CG1-CG 4.3Å; V141-L145 WeakPolarHBondContact O-CB 3.38Å; V141-L145 WeakPolarHBondContact O-CD1 3.2Å; V141-L145 WeakPolarHBondContact O-CG 3.09Å; V141-L145 PolarHBondContact O-N 3.03Å |
| 146 | E | 54.8 | Low | 48 | Very low | 171 Ų | 171 | 118.6 Ų | 118.6 | 80% | 0.799 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -84.8 | -14.6 | 175.5 | -76.3 | -171.5 | 159.4 | 0 | 0 | 113.9 | ||
| 147 | D | 53.1 | Low | 47.7 | Very low | 141 Ų | 141 | 123.5 Ų | 123.5 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -102 | 1 | -167.4 | -158.3 | 34.7 | 0 | 0 | 0 | 116 | ||
| 148 | V | 47.4 | Very low | 48 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | trans | -135.1 | 86.9 | 176.9 | -170.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 149 | G | 39.3 | Very low | 47.7 | Very low | 65 Ų | 65 | 134.1 Ų | 134.1 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | trans | -59.4 | 152 | 154 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 150 | D | 35.7 | Very low | 47.6 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | trans | 67.5 | 78.6 | 157.3 | -154 | 36.9 | 0 | 0 | 0 | 117.4 | ||||
| 151 | A | 47.4 | Very low | 47.3 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | -153.4 | 115.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 152 | G | 36.1 | Very low | 47.1 | Very low | 76 Ų | 76 | 147.6 Ų | 147.6 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 146 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 153 | I | 46.3 | Very low | 46.9 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 120.5 | 173 | -57.5 | 170.1 | 0 | 0 | 0 | 108.2 | ||
| 154 | P | 45.4 | Very low | 46.7 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 126.2 | 178.9 | 29.8 | -31.3 | 0 | 0 | 0 | 111.3 | K156 | P154-K156 PolarHBondContact O-N 3.39Š|
| 155 | E | 43.7 | Very low | 46.2 | Very low | 161 Ų | 161 | 154.4 Ų | 154.4 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 116.9 | 167.3 | -79.1 | -171.2 | 122.8 | 0 | 0 | 110.8 | R157 | E155-R157 IonicContact OE1-NE 3.49Š|
| 156 | K | 47 | Very low | 45.7 | Very low | 211 Ų | 211 | 155.6 Ų | 155.6 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | -109.2 | 85 | 157 | -100.6 | -176.2 | 177.7 | 177.9 | 0 | 108.8 | P154 | P154-K156 PolarHBondContact O-N 3.39Š| ||
| 157 | R | 41 | Very low | 45.2 | Very low | 213 Ų | 213 | 154.7 Ų | 154.7 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -87.6 | 101.6 | 156.5 | -67.2 | -170.9 | -166.7 | -157.4 | 1.7 | 107.5 | E155 K159 | E155-R157 IonicContact OE1-NE 3.49Å; R157-K159 PolarHBondContact O-N 3.05Å | ||
| 158 | Q | 48.6 | Very low | 44.7 | Very low | 193 Ų | 193 | 155.6 Ų | 155.6 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -69.3 | 115.9 | 168.8 | -140.7 | 170.8 | -14.1 | 0 | 0 | 107.2 | ||||
| 159 | K | 43.1 | Very low | 44.5 | Very low | 179 Ų | 179 | 158.3 Ų | 158.3 | 78% | 0.778 | 83% | 0.834 | S | S | * | * | trans | -64.9 | 131.1 | 174.6 | -67.9 | 178.6 | 175.8 | -179 | 0 | 108.9 | R157 | R157-K159 PolarHBondContact O-N 3.05Š| ||
| 160 | L | 48 | Very low | 44.9 | Very low | 158 Ų | 158 | 165.5 Ų | 165.5 | 83% | 0.827 | 85% | 0.846 | S | S | * | * | trans | -82.1 | 107.5 | 158.7 | -96 | 141.5 | 0 | 0 | 0 | 106.2 | ||||
| 161 | D | 50.9 | Low | 45.6 | Very low | 146 Ų | 146 | 165.2 Ų | 165.2 | 78% | 0.781 | 84% | 0.841 | S | S | * | * | trans | -76.8 | 129.1 | 166.7 | -65.4 | -42.5 | 0 | 0 | 0 | 108.4 | ||||
| 162 | F | 50 | Low | 45.5 | Very low | 271 Ų | 271 | 171.8 Ų | 171.8 | 100% | 1.189 | 85% | 0.849 | S | S | * | * | trans | -107.3 | 0 | 159.4 | -81.8 | -79.8 | 0 | 0 | 0 | 108.3 |
Retrieved 162 of 162 residues in 96.2 ms
(Link to these results)