| 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 | 49.9 | Very low | 64.3 | Low | 245 Ų | 245 | 116.5 Ų | 116.5 | 100% | 1.207 | 66% | 0.655 | S | S | * | * | 0 | 106.5 | 0 | -63.2 | -165.2 | -168.9 | 0 | 0 | 107.5 | S3 | M1-S3 PolarHBondContact O-N 3.31Š| |||
| 2 | A | 51.9 | Low | 64.4 | Low | 104 Ų | 104 | 112.6 Ų | 112.6 | 86% | 0.86 | 63% | 0.63 | S | S | * | * | trans | -66.4 | 122.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | T4 | A2-T4 PolarHBondContact O-N 3.35Š| ||
| 3 | S | 63 | Low | 64.4 | Low | 71 Ų | 71 | 117.2 Ų | 117.2 | 50% | 0.497 | 64% | 0.639 | S | S | . | * | trans | -62.5 | 126 | -176.9 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | M1 V5 S6 | M1-S3 PolarHBondContact O-N 3.31Å; S3-V5 PolarHBondContact O-N 3.31Å; S3-V5 VanDerWaalsContact O-N 3.08Å; S3-S6 WeakPolarHBondContact O-CB 3.42Å; S3-S6 PolarHBondContact O-N 3.35Å | ||
| 4 | T | 65.2 | Low | 64.5 | Low | 119 Ų | 119 | 120.8 Ų | 120.8 | 73% | 0.73 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -55.3 | -25.4 | 178 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | A2 Y8 | A2-T4 PolarHBondContact O-N 3.35Å; T4-Y8 WeakPolarHBondContact O-CB 3.47Å; T4-Y8 PolarHBondContact O-N 3.02Å |
| 5 | V | 66.3 | Low | 64 | Low | 95 Ų | 95 | 120.1 Ų | 120.1 | 58% | 0.576 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.3 | -40.6 | 175.1 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | S3 Y8 T9 | S3-V5 PolarHBondContact O-N 3.31Å; S3-V5 VanDerWaalsContact O-N 3.08Å; V5-Y8 PolarHBondContact O-N 3.31Å; V5-T9 WeakPolarHBondContact O-CG2 3.46Å; V5-T9 PolarHBondContact O-N 3.49Å; V5-T9 PolarHBondContact O-OG1 3.06Å |
| 6 | S | 67.6 | Low | 63.5 | Low | 69 Ų | 69 | 117.4 Ų | 117.4 | 48% | 0.483 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.3 | -43.8 | 179 | -168 | 0 | 0 | 0 | 0 | 111.2 | S3 Y8 T9 E10 | S3-S6 WeakPolarHBondContact O-CB 3.42Å; S3-S6 PolarHBondContact O-N 3.35Å; S6-Y8 VanDerWaalsContact C-N 3.34Å; S6-Y8 PolarHBondContact O-N 3.34Å; S6-T9 WeakPolarHBondContact CA-OG1 3.35Å; S6-T9 PolarHBondContact O-N 3.03Å; S6-T9 PolarHBondContact O-OG1 3.04Å; S6-E10 PolarHBondContact O-N 2.98Å |
| 7 | A | 70 | Confident | 63.1 | Low | 65 Ų | 65 | 118.1 Ų | 118.1 | 54% | 0.537 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.2 | -37 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K11 | A7-K11 WeakPolarHBondContact O-CB 3.4Å; A7-K11 PolarHBondContact O-N 3.4Å; A7-K11 VanDerWaalsContact O-N 3.16Å |
| 8 | Y | 67.9 | Low | 62.6 | Low | 160 Ų | 160 | 119.4 Ų | 119.4 | 63% | 0.627 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.1 | -42.2 | 173.2 | -179.2 | -105.9 | 0 | 0 | 0 | 112 | T4 V5 S6 E10 K11 I12 | T4-Y8 WeakPolarHBondContact O-CB 3.47Å; T4-Y8 PolarHBondContact O-N 3.02Å; V5-Y8 PolarHBondContact O-N 3.31Å; S6-Y8 VanDerWaalsContact C-N 3.34Å; S6-Y8 PolarHBondContact O-N 3.34Å; Y8-E10 PolarHBondContact O-N 3.16Å; Y8-K11 PolarHBondContact O-N 3.06Å; Y8-I12 HydrophobicContact CD1-CD1 3.91Å; Y8-I12 HydrophobicContact CE1-CD1 3.27Å; Y8-I12 HydrophobicContact CE1-CG1 4.3Å; Y8-I12 HydrophobicContact CE2-CD1 3.98Å; Y8-I12 HydrophobicContact CE2-CG1 4.4Å; Y8-I12 WeakPolarHBondContact O-CG1 3.44Å; Y8-I12 PolarHBondContact O-N 3.46Å |
| 9 | T | 67.4 | Low | 62.2 | Low | 63 Ų | 63 | 117.9 Ų | 117.9 | 39% | 0.387 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.2 | -35 | 179.2 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | V5 S6 K13 | V5-T9 WeakPolarHBondContact O-CG2 3.46Å; V5-T9 PolarHBondContact O-N 3.49Å; V5-T9 PolarHBondContact O-OG1 3.06Å; S6-T9 WeakPolarHBondContact CA-OG1 3.35Å; S6-T9 PolarHBondContact O-N 3.03Å; S6-T9 PolarHBondContact O-OG1 3.04Å; T9-K13 WeakPolarHBondContact O-CG 3.44Å; T9-K13 PolarHBondContact O-N 2.77Å |
| 10 | E | 69.1 | Low | 61.8 | Low | 129 Ų | 129 | 118.3 Ų | 118.3 | 60% | 0.603 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70 | -41.3 | 173.7 | -73.9 | -157.2 | 150.2 | 0 | 0 | 111.7 | S6 Y8 I12 K13 E14 | S6-E10 PolarHBondContact O-N 2.98Å; Y8-E10 PolarHBondContact O-N 3.16Å; E10-I12 VanDerWaalsContact C-N 3.27Å; E10-I12 PolarHBondContact O-N 3.22Å; E10-K13 WeakPolarHBondContact O-CB 3.46Å; E10-K13 PolarHBondContact O-N 3.24Å; E10-E14 PolarHBondContact O-N 3.08Å |
| 11 | K | 68.7 | Low | 61.5 | Low | 161 Ų | 161 | 116.4 Ų | 116.4 | 70% | 0.7 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.7 | -29.2 | 178.4 | -153.6 | 169.3 | -171.2 | 175.7 | 0 | 113.3 | A7 Y8 M15 | A7-K11 WeakPolarHBondContact O-CB 3.4Å; A7-K11 PolarHBondContact O-N 3.4Å; A7-K11 VanDerWaalsContact O-N 3.16Å; Y8-K11 PolarHBondContact O-N 3.06Å; K11-M15 PolarHBondContact O-N 2.94Å |
| 12 | I | 65.8 | Low | 61.5 | Low | 70 Ų | 70 | 107.7 Ų | 107.7 | 36% | 0.359 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.1 | -35.2 | 171.2 | -74.2 | -172.4 | 0 | 0 | 0 | 112.1 | Y8 E10 E14 M15 | Y8-I12 HydrophobicContact CD1-CD1 3.91Å; Y8-I12 HydrophobicContact CE1-CD1 3.27Å; Y8-I12 HydrophobicContact CE1-CG1 4.3Å; Y8-I12 HydrophobicContact CE2-CD1 3.98Å; Y8-I12 HydrophobicContact CE2-CG1 4.4Å; Y8-I12 WeakPolarHBondContact O-CG1 3.44Å; Y8-I12 PolarHBondContact O-N 3.46Å; E10-I12 VanDerWaalsContact C-N 3.27Å; E10-I12 PolarHBondContact O-N 3.22Å; I12-E14 VanDerWaalsContact C-N 3.32Å; I12-M15 PolarHBondContact O-N 3.19Å |
| 13 | K | 64.6 | Low | 61.5 | Low | 172 Ų | 172 | 107.2 Ų | 107.2 | 75% | 0.748 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.1 | -29.8 | 176.6 | -73.5 | 174.6 | -179.2 | 179.2 | 0 | 112.7 | T9 E10 M15 | T9-K13 WeakPolarHBondContact O-CG 3.44Å; T9-K13 PolarHBondContact O-N 2.77Å; E10-K13 WeakPolarHBondContact O-CB 3.46Å; E10-K13 PolarHBondContact O-N 3.24Å; K13-M15 VanDerWaalsContact C-N 3.34Å |
| 14 | E | 66 | Low | 61.1 | Low | 168 Ų | 168 | 108.3 Ų | 108.3 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79.1 | -15.8 | 174.3 | -68.5 | -166.1 | 162.4 | 0 | 0 | 113.6 | E10 I12 S16 | E10-E14 PolarHBondContact O-N 3.08Å; I12-E14 VanDerWaalsContact C-N 3.32Å; E14-S16 PolarHBondContact O-N 3.48Å |
| 15 | M | 56.4 | Low | 60.1 | Low | 110 Ų | 110 | 109.5 Ų | 109.5 | 54% | 0.542 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -77 | 119.5 | 175.2 | -159.4 | 155.4 | 62.2 | 0 | 0 | 108.7 | K11 I12 K13 M17 | K11-M15 PolarHBondContact O-N 2.94Å; I12-M15 PolarHBondContact O-N 3.19Å; K13-M15 VanDerWaalsContact C-N 3.34Å; M15-M17 PolarHBondContact O-N 2.96Å |
| 16 | S | 56.9 | Low | 59.1 | Low | 78 Ų | 78 | 112.4 Ų | 112.4 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | trans | -47.1 | 112 | -179.7 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | E14 M18 S19 | E14-S16 PolarHBondContact O-N 3.48Å; S16-M18 PolarHBondContact O-N 3.07Å; S16-M18 WeakPolarHBondContact OG-CB 3.39Å; S16-M18 PolarHBondContact OG-N 3.38Å; S16-S19 PolarHBondContact O-N 2.9Å; S16-S19 VanDerWaalsContact O-N 3.07Å; S16-S19 PolarHBondContact O-OG 3.15Å | ||
| 17 | M | 56 | Low | 58 | Low | 129 Ų | 129 | 114 Ų | 114 | 64% | 0.635 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -57.7 | -9.5 | 176.2 | -79.2 | -73 | -62 | 0 | 0 | 113.1 | M15 S19 L20 | M15-M17 PolarHBondContact O-N 2.96Å; M17-S19 PolarHBondContact O-N 3.24Å; M17-L20 PolarHBondContact O-N 3.37Å; M17-L20 VanDerWaalsContact O-N 3.15Å; M17-L20 HydrophobicContact SD-CB 4.49Å; M17-L20 HydrophobicContact SD-CD2 4.45Å |
| 18 | M | 54.7 | Low | 56.9 | Low | 142 Ų | 142 | 117.2 Ų | 117.2 | 70% | 0.7 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -64.8 | -24.4 | 172.9 | -67.4 | -65 | 157.2 | 0 | 0 | 113.1 | S16 L20 I21 | S16-M18 PolarHBondContact O-N 3.07Å; S16-M18 WeakPolarHBondContact OG-CB 3.39Å; S16-M18 PolarHBondContact OG-N 3.38Å; M18-L20 VanDerWaalsContact C-N 3.34Å; M18-I21 HydrophobicContact CE-CD1 4.49Å; M18-I21 HydrophobicContact SD-CD1 3.53Å; M18-I21 VanDerWaalsContact SD-CD1 3.53Å |
| 19 | S | 54.7 | Low | 55.5 | Low | 91 Ų | 91 | 113.5 Ų | 113.5 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -85.1 | -7.4 | 174.5 | 66.9 | 0 | 0 | 0 | 0 | 113.6 | S16 M17 | S16-S19 PolarHBondContact O-N 2.9Å; S16-S19 VanDerWaalsContact O-N 3.07Å; S16-S19 PolarHBondContact O-OG 3.15Å; M17-S19 PolarHBondContact O-N 3.24Å |
| 20 | L | 53.4 | Low | 54.5 | Low | 124 Ų | 124 | 115.6 Ų | 115.6 | 65% | 0.649 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -100.4 | 9.2 | 174.3 | -129.4 | 80.9 | 0 | 0 | 0 | 112.7 | M17 M18 C22 | M17-L20 PolarHBondContact O-N 3.37Å; M17-L20 VanDerWaalsContact O-N 3.15Å; M17-L20 HydrophobicContact SD-CB 4.49Å; M17-L20 HydrophobicContact SD-CD2 4.45Å; M18-L20 VanDerWaalsContact C-N 3.34Å; L20-C22 VanDerWaalsContact C-N 3.28Å; L20-C22 PolarHBondContact O-N 3.35Å |
| 21 | I | 55.8 | Low | 53.4 | Low | 79 Ų | 79 | 114.7 Ų | 114.7 | 41% | 0.405 | 61% | 0.608 | S | S | . | * | trans | -81.1 | 86.8 | 167.7 | -54.6 | 176.4 | 0 | 0 | 0 | 106.4 | M18 S23 Y26 | M18-I21 HydrophobicContact CE-CD1 4.49Å; M18-I21 HydrophobicContact SD-CD1 3.53Å; M18-I21 VanDerWaalsContact SD-CD1 3.53Å; I21-S23 PolarHBondContact O-N 3.19Å; I21-Y26 HydrophobicContact CG2-CD2 4.17Å | ||
| 22 | C | 49.8 | Very low | 52.2 | Low | 62 Ų | 62 | 111.1 Ų | 111.1 | 42% | 0.419 | 60% | 0.601 | S | S | . | * | trans | -46.8 | 124.8 | 156.4 | -157.1 | 0 | 0 | 0 | 0 | 106.1 | L20 C24 L25 | L20-C22 VanDerWaalsContact C-N 3.28Å; L20-C22 PolarHBondContact O-N 3.35Å; C22-C24 HydrophobicContact CB-CB 3.94Å; C22-C24 WeakPolarHBondContact CB-SG 3.35Å; C22-C24 PolarHBondContact O-N 2.98Å; C22-C24 WeakPolarHBondContact SG-CB 3.24Å; C22-C24 CovalentContact SG-SG 2.04Å; C22-C24 PolarHBondContact SG-SG 3.07Å; C22-L25 HydrophobicContact CB-CD1 4.1Å; C22-L25 PolarHBondContact O-N 3.07Å | ||
| 23 | S | 53.1 | Low | 51.4 | Low | 94 Ų | 94 | 112.9 Ų | 112.9 | 66% | 0.657 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 3.5 | 170.2 | 41.8 | 0 | 0 | 0 | 0 | 113.8 | I21 | I21-S23 PolarHBondContact O-N 3.19Š|
| 24 | C | 53.7 | Low | 50.9 | Low | 94 Ų | 94 | 107.9 Ų | 107.9 | 64% | 0.635 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -21.5 | 178.8 | -15.4 | 0 | 0 | 0 | 0 | 113.1 | C22 | C22-C24 HydrophobicContact CB-CB 3.94Å; C22-C24 WeakPolarHBondContact CB-SG 3.35Å; C22-C24 PolarHBondContact O-N 2.98Å; C22-C24 WeakPolarHBondContact SG-CB 3.24Å; C22-C24 CovalentContact SG-SG 2.04Å; C22-C24 PolarHBondContact SG-SG 3.07Å |
| 25 | L | 44.8 | Very low | 50.5 | Low | 145 Ų | 145 | 104.6 Ų | 104.6 | 76% | 0.759 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -13.8 | -177.2 | -84.5 | 148 | 0 | 0 | 0 | 113.2 | C22 | C22-L25 HydrophobicContact CB-CD1 4.1Å; C22-L25 PolarHBondContact O-N 3.07Å |
| 26 | Y | 45.1 | Very low | 50.7 | Low | 155 Ų | 155 | 106.1 Ų | 106.1 | 61% | 0.608 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -78.5 | 124.8 | 154 | -121.3 | -102.7 | 0 | 0 | 0 | 106 | I21 Q28 | I21-Y26 HydrophobicContact CG2-CD2 4.17Å; Y26-Q28 VanDerWaalsContact C-N 3.35Å; Y26-Q28 PolarHBondContact O-N 3.03Å |
| 27 | P | 44.9 | Very low | 50.8 | Low | 104 Ų | 104 | 109.3 Ų | 109.3 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | trans | -53.3 | 116.5 | 154.5 | -5.1 | 18.9 | 0 | 0 | 0 | 103.1 | T29 | P27-T29 PolarHBondContact O-N 2.78Š| ||
| 28 | Q | 45.5 | Very low | 50.9 | Low | 131 Ų | 131 | 111.3 Ų | 111.3 | 61% | 0.612 | 60% | 0.599 | S | S | * | * | trans | -54.5 | 104.2 | 160.2 | -81.2 | -139.4 | -15.3 | 0 | 0 | 103.3 | Y26 S30 Y31 | Y26-Q28 VanDerWaalsContact C-N 3.35Å; Y26-Q28 PolarHBondContact O-N 3.03Å; Q28-S30 PolarHBondContact O-N 3.19Å; Q28-Y31 HydrophobicContact CB-CE2 4.18Å; Q28-Y31 HydrophobicContact CG-CE2 4.41Å; Q28-Y31 VanDerWaalsContact OE1-CE2 3.3Å | ||
| 29 | T | 38.8 | Very low | 51.7 | Low | 82 Ų | 82 | 108.1 Ų | 108.1 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | trans | -41.4 | 118.2 | 169.8 | 46.1 | 0 | 0 | 0 | 0 | 102.9 | P27 Y31 | P27-T29 PolarHBondContact O-N 2.78Å; T29-Y31 WeakPolarHBondContact O-CD2 3.49Å; T29-Y31 PolarHBondContact O-N 2.82Å; T29-Y31 VanDerWaalsContact OG1-CE1 3.23Å; T29-Y31 WeakPolarHBondContact OG1-CE1 3.22Å | ||
| 30 | S | 47 | Very low | 52.5 | Low | 108 Ų | 108 | 110.3 Ų | 110.3 | 76% | 0.755 | 61% | 0.607 | S | S | * | * | trans | -50.5 | 90 | 177.4 | 49.2 | 0 | 0 | 0 | 0 | 106.2 | Q28 P32 | Q28-S30 PolarHBondContact O-N 3.19Å; S30-P32 VanDerWaalsContact O-CD 3.24Å; S30-P32 WeakPolarHBondContact O-CD 3.23Å | ||
| 31 | Y | 45.1 | Very low | 53.8 | Low | 110 Ų | 110 | 107.5 Ų | 107.5 | 43% | 0.431 | 59% | 0.593 | S | S | . | * | trans | -61.7 | 114.6 | 172.8 | -51.8 | -72 | 0 | 0 | 0 | 100.4 | Q28 T29 T33 | Q28-Y31 HydrophobicContact CB-CE2 4.18Å; Q28-Y31 HydrophobicContact CG-CE2 4.41Å; Q28-Y31 VanDerWaalsContact OE1-CE2 3.3Å; T29-Y31 WeakPolarHBondContact O-CD2 3.49Å; T29-Y31 PolarHBondContact O-N 2.82Å; T29-Y31 VanDerWaalsContact OG1-CE1 3.23Å; T29-Y31 WeakPolarHBondContact OG1-CE1 3.22Å; Y31-T33 PolarHBondContact O-N 3.3Å | ||
| 32 | P | 45.2 | Very low | 55.1 | Low | 85 Ų | 85 | 106 Ų | 106 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | trans | -54.3 | 145 | -175.9 | 24.9 | -32.7 | 0 | 0 | 0 | 106 | S30 T34 | S30-P32 VanDerWaalsContact O-CD 3.24Å; S30-P32 WeakPolarHBondContact O-CD 3.23Å; P32-T34 HydrophobicContact CB-CG2 3.77Å; P32-T34 HydrophobicContact CG-CG2 3.69Å; P32-T34 PolarHBondContact O-N 2.92Å; P32-T34 PolarHBondContact O-OG1 3.1Å; P32-T34 VanDerWaalsContact O-OG1 3.1Å | ||
| 33 | T | 48.3 | Very low | 56.8 | Low | 108 Ų | 108 | 104.7 Ų | 104.7 | 66% | 0.663 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -64.2 | 66.1 | 176.5 | -46.8 | 0 | 0 | 0 | 0 | 108.2 | Y31 P45 | Y31-T33 PolarHBondContact O-N 3.3Å; T33-P45 HydrophobicContact CG2-CB 3.85Å; T33-P45 HydrophobicContact CG2-CG 3.3Å |
| 34 | T | 53.5 | Low | 58.4 | Low | 66 Ų | 66 | 104 Ų | 104 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | trans | -105.3 | 125.2 | -175.1 | 49.2 | 0 | 0 | 0 | 0 | 106.2 | P32 Y36 | P32-T34 HydrophobicContact CB-CG2 3.77Å; P32-T34 HydrophobicContact CG-CG2 3.69Å; P32-T34 PolarHBondContact O-N 2.92Å; P32-T34 PolarHBondContact O-OG1 3.1Å; P32-T34 VanDerWaalsContact O-OG1 3.1Å; T34-Y36 WeakPolarHBondContact O-CD2 3.34Å; T34-Y36 PolarHBondContact O-N 2.91Å; T34-Y36 VanDerWaalsContact O-N 3.1Å | ||
| 35 | N | 58.6 | Low | 60 | Low | 100 Ų | 100 | 101.5 Ų | 101.5 | 54% | 0.535 | 54% | 0.542 | S | S | . | . | trans | -49.6 | 119.2 | 171 | -72.3 | -42.9 | 0 | 0 | 0 | 108.8 | ||||
| 36 | Y | 59.7 | Low | 62.1 | Low | 141 Ų | 141 | 99.3 Ų | 99.3 | 55% | 0.553 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 114.8 | 171.3 | -77.1 | -91.1 | 0 | 0 | 0 | 107 | T34 V43 | T34-Y36 WeakPolarHBondContact O-CD2 3.34Å; T34-Y36 PolarHBondContact O-N 2.91Å; T34-Y36 VanDerWaalsContact O-N 3.1Å; Y36-V43 PolarHBondContact O-N 2.69Å; Y36-V43 VanDerWaalsContact O-N 3.1Å |
| 37 | Q | 59.2 | Low | 64.1 | Low | 146 Ų | 146 | 96.2 Ų | 96.2 | 68% | 0.682 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.6 | 169.9 | -77.3 | -176.7 | -8.2 | 0 | 0 | 108.5 | E42 | Q37-E42 HydrophobicContact CG-CB 4.36Å; Q37-E42 HydrophobicContact CG-CG 4.14Å |
| 38 | F | 57.3 | Low | 66.2 | Low | 170 Ų | 170 | 96.5 Ų | 96.5 | 75% | 0.746 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 94.7 | 176.3 | -163.2 | -90.7 | 0 | 0 | 0 | 109.1 | D40 L41 | F38-D40 PolarHBondContact O-N 3.31Å; F38-L41 PolarHBondContact N-O 2.77Å; F38-L41 WeakPolarHBondContact O-CB 3.15Å; F38-L41 PolarHBondContact O-N 2.04Å |
| 39 | G | 72.3 | Confident | 68.4 | Low | 75 Ų | 75 | 99.2 Ų | 99.2 | 77% | 0.773 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | -128.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L41 | G39-L41 PolarHBondContact O-N 2.78Š|
| 40 | D | 71.4 | Confident | 70.5 | Confident | 138 Ų | 138 | 104.6 Ų | 104.6 | 74% | 0.738 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -2.5 | 178.3 | -62 | -15.9 | 0 | 0 | 0 | 113.8 | F38 I58 L59 | F38-D40 PolarHBondContact O-N 3.31Å; D40-I58 VanDerWaalsContact O-O 3.12Å; D40-L59 WeakPolarHBondContact CB-O 3.3Å; D40-L59 CarbonylContact O-C 3.53Å; D40-L59 VanDerWaalsContact O-CA 3.22Å; D40-L59 WeakPolarHBondContact O-CA 3.24Å |
| 41 | L | 80.8 | Confident | 72.6 | Confident | 65 Ų | 65 | 105 Ų | 105 | 34% | 0.34 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 109.3 | -179.5 | -177 | 79.5 | 0 | 0 | 0 | 110.8 | F38 G39 V43 V57 L59 | F38-L41 PolarHBondContact N-O 2.77Å; F38-L41 WeakPolarHBondContact O-CB 3.15Å; F38-L41 PolarHBondContact O-N 2.04Å; G39-L41 PolarHBondContact O-N 2.78Å; L41-V43 HydrophobicContact CG-CG2 4.28Å; L41-V57 HydrophobicContact CD1-CG1 3.25Å; L41-V57 HydrophobicContact CG-CG1 4.37Å; L41-L59 HydrophobicContact CB-CD2 4.46Å; L41-L59 HydrophobicContact CD1-CD2 3.26Å; L41-L59 HydrophobicContact CD1-CG 4.27Å; L41-L59 HydrophobicContact CG-CD2 4.45Å |
| 42 | E | 82.9 | Confident | 74.7 | Confident | 46 Ų | 46 | 101.9 Ų | 101.9 | 22% | 0.215 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.8 | 170.1 | 179.7 | -177.9 | -159.9 | 0 | 0 | 110.2 | Q37 K44 V57 I58 | Q37-E42 HydrophobicContact CG-CB 4.36Å; Q37-E42 HydrophobicContact CG-CG 4.14Å; E42-K44 HydrophobicContact CG-CG 4.38Å; E42-K44 WeakPolarHBondContact OE1-CE 3.27Å; E42-K44 IonicContact OE1-NZ 3.55Å; E42-K44 IonicContact OE2-NZ 2.77Å; E42-V57 CarbonylContact O-C 3.51Å; E42-I58 HydrophobicContact CB-CB 4.24Å; E42-I58 PolarHBondContact N-O 2.93Å; E42-I58 PolarHBondContact O-N 2.57Å |
| 43 | V | 85.5 | Confident | 77 | Confident | 35 Ų | 35 | 102.5 Ų | 102.5 | 21% | 0.212 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 114.6 | 176.7 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | Y36 L41 F55 E56 V57 | Y36-V43 PolarHBondContact O-N 2.69Å; Y36-V43 VanDerWaalsContact O-N 3.1Å; L41-V43 HydrophobicContact CG-CG2 4.28Å; V43-F55 HydrophobicContact CG1-CB 3.89Å; V43-F55 HydrophobicContact CG1-CD2 3.52Å; V43-F55 HydrophobicContact CG1-CE2 4.3Å; V43-F55 HydrophobicContact CG1-CG 3.92Å; V43-E56 CarbonylContact C-O 3.07Å; V43-E56 WeakPolarHBondContact CA-O 3.14Å; V43-V57 HydrophobicContact CG1-CG2 4.48Å; V43-V57 HydrophobicContact CG2-CG1 4.37Å; V43-V57 HydrophobicContact CG2-CG2 4.22Å |
| 44 | K | 87.5 | Confident | 79.1 | Confident | 79 Ų | 79 | 99.8 Ų | 99.8 | 34% | 0.343 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 113.9 | 176.7 | -69.1 | -177.1 | -176.2 | 169.7 | 0 | 110.7 | E42 I46 F55 E56 I58 | E42-K44 HydrophobicContact CG-CG 4.38Å; E42-K44 WeakPolarHBondContact OE1-CE 3.27Å; E42-K44 IonicContact OE1-NZ 3.55Å; E42-K44 IonicContact OE2-NZ 2.77Å; K44-I46 PolarHBondContact O-N 2.89Å; K44-F55 CarbonylContact O-C 3.6Å; K44-F55 VanDerWaalsContact O-CA 3.3Å; K44-F55 WeakPolarHBondContact O-CA 3.35Å; K44-E56 HydrophobicContact CB-CB 4.31Å; K44-E56 PolarHBondContact N-O 2.62Å; K44-E56 PolarHBondContact O-N 3.1Å; K44-I58 HydrophobicContact CD-CD1 4.09Å |
| 45 | P | 86.4 | Confident | 80.9 | Confident | 43 Ų | 43 | 101.9 Ų | 101.9 | 28% | 0.279 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 132.8 | 176.9 | 26.4 | -31.7 | 0 | 0 | 0 | 110.8 | T33 | T33-P45 HydrophobicContact CG2-CB 3.85Å; T33-P45 HydrophobicContact CG2-CG 3.3Å |
| 46 | I | 88.9 | Confident | 82.4 | Confident | 99 Ų | 99 | 102 Ų | 102 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -61.1 | 179.3 | -63.9 | 168.7 | 0 | 0 | 0 | 110.2 | K44 S54 E56 | K44-I46 PolarHBondContact O-N 2.89Å; I46-S54 PolarHBondContact N-O 3.07Å; I46-E56 HydrophobicContact CD1-CB 4.08Å; I46-E56 HydrophobicContact CG1-CB 4.4Å |
| 47 | N | 87.1 | Confident | 83.8 | Confident | 90 Ų | 90 | 98.5 Ų | 98.5 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 146.3 | -176.9 | -91.9 | -68.9 | 0 | 0 | 0 | 111.3 | Q53 S54 | N47-Q53 WeakPolarHBondContact O-CA 2.94Å; N47-S54 PolarHBondContact N-O 2.77Å; N47-S54 PolarHBondContact N-OG 2.81Å; N47-S54 PolarHBondContact O-N 3.5Å; N47-S54 PolarHBondContact O-OG 3.1Å |
| 48 | K | 89.7 | Confident | 85.1 | Confident | 110 Ų | 110 | 93 Ų | 93 | 48% | 0.478 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.6 | 168.6 | -54.7 | -160.8 | -169.1 | -154.8 | 0 | 109.4 | Q53 | K48-Q53 HydrophobicContact CD-CG 4.15Å; K48-Q53 HydrophobicContact CG-CB 4.14Å; K48-Q53 HydrophobicContact CG-CG 3.79Å |
| 49 | R | 90.8 | Very high | 86.3 | Confident | 188 Ų | 188 | 90.4 Ų | 90.4 | 71% | 0.709 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 165.3 | 175.7 | -62.1 | -176.4 | -178.5 | -173.6 | 1.2 | 108.9 | S51 G52 | R49-S51 PolarHBondContact O-N 3.34Å; R49-S51 VanDerWaalsContact O-N 3.13Å; R49-G52 CarbonylContact C-O 3.6Å; R49-G52 PolarHBondContact N-O 2.97Å; R49-G52 CarbonylContact O-C 3.57Å; R49-G52 PolarHBondContact O-N 2.87Å |
| 50 | L | 84.5 | Confident | 86.4 | Confident | 195 Ų | 195 | 94.1 Ų | 94.1 | 100% | 1.021 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.5 | 174.4 | -66.5 | 173 | 0 | 0 | 0 | 112.5 | ||
| 51 | S | 89.1 | Confident | 86.1 | Confident | 117 Ų | 117 | 90 Ų | 90 | 82% | 0.818 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -5.6 | 178.4 | 64.1 | 0 | 0 | 0 | 0 | 114.5 | R49 | R49-S51 PolarHBondContact O-N 3.34Å; R49-S51 VanDerWaalsContact O-N 3.13Å |
| 52 | G | 90.4 | Very high | 85.2 | Confident | 43 Ų | 43 | 92.2 Ų | 92.2 | 44% | 0.443 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.6 | -177.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R49 | R49-G52 CarbonylContact C-O 3.6Å; R49-G52 PolarHBondContact N-O 2.97Å; R49-G52 CarbonylContact O-C 3.57Å; R49-G52 PolarHBondContact O-N 2.87Å |
| 53 | Q | 92.7 | Very high | 84 | Confident | 98 Ų | 98 | 95.6 Ų | 95.6 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.7 | -177.6 | 168.3 | 171.2 | -6.4 | 0 | 0 | 110.6 | N47 K48 F55 | N47-Q53 WeakPolarHBondContact O-CA 2.94Å; K48-Q53 HydrophobicContact CD-CG 4.15Å; K48-Q53 HydrophobicContact CG-CB 4.14Å; K48-Q53 HydrophobicContact CG-CG 3.79Å; Q53-F55 HydrophobicContact CG-CD1 4.4Å |
| 54 | S | 92.3 | Very high | 82.8 | Confident | 52 Ų | 52 | 98.6 Ų | 98.6 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 145.6 | 171.4 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | I46 N47 | I46-S54 PolarHBondContact N-O 3.07Å; N47-S54 PolarHBondContact N-O 2.77Å; N47-S54 PolarHBondContact N-OG 2.81Å; N47-S54 PolarHBondContact O-N 3.5Å; N47-S54 PolarHBondContact O-OG 3.1Å |
| 55 | F | 91.6 | Very high | 81.3 | Confident | 110 Ų | 110 | 102.5 Ų | 102.5 | 48% | 0.482 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 150.8 | 178.7 | 54.2 | -90.6 | 0 | 0 | 0 | 109.7 | V43 K44 Q53 V57 | V43-F55 HydrophobicContact CG1-CB 3.89Å; V43-F55 HydrophobicContact CG1-CD2 3.52Å; V43-F55 HydrophobicContact CG1-CE2 4.3Å; V43-F55 HydrophobicContact CG1-CG 3.92Å; K44-F55 CarbonylContact O-C 3.6Å; K44-F55 VanDerWaalsContact O-CA 3.3Å; K44-F55 WeakPolarHBondContact O-CA 3.35Å; Q53-F55 HydrophobicContact CG-CD1 4.4Å; F55-V57 HydrophobicContact CD2-CG2 3.44Å; F55-V57 VanDerWaalsContact CD2-CG2 3.44Å; F55-V57 HydrophobicContact CE2-CG2 3.39Å |
| 56 | E | 89.6 | Confident | 79.8 | Confident | 103 Ų | 103 | 103.6 Ų | 103.6 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 135.3 | 170.3 | -173.7 | 175.9 | -166.4 | 0 | 0 | 108.8 | V43 K44 I46 I58 | V43-E56 CarbonylContact C-O 3.07Å; V43-E56 WeakPolarHBondContact CA-O 3.14Å; K44-E56 HydrophobicContact CB-CB 4.31Å; K44-E56 PolarHBondContact N-O 2.62Å; K44-E56 PolarHBondContact O-N 3.1Å; I46-E56 HydrophobicContact CD1-CB 4.08Å; I46-E56 HydrophobicContact CG1-CB 4.4Å; E56-I58 HydrophobicContact CG-CG1 4.11Å |
| 57 | V | 89.4 | Confident | 78.3 | Confident | 66 Ų | 66 | 105.3 Ų | 105.3 | 40% | 0.4 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.5 | 175.6 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | L41 E42 V43 F55 L59 | L41-V57 HydrophobicContact CD1-CG1 3.25Å; L41-V57 HydrophobicContact CG-CG1 4.37Å; E42-V57 CarbonylContact O-C 3.51Å; V43-V57 HydrophobicContact CG1-CG2 4.48Å; V43-V57 HydrophobicContact CG2-CG1 4.37Å; V43-V57 HydrophobicContact CG2-CG2 4.22Å; F55-V57 HydrophobicContact CD2-CG2 3.44Å; F55-V57 VanDerWaalsContact CD2-CG2 3.44Å; F55-V57 HydrophobicContact CE2-CG2 3.39Å; V57-L59 HydrophobicContact CG1-CD2 4.46Å; V57-L59 HydrophobicContact CG1-CG 4.4Å |
| 58 | I | 86.1 | Confident | 76.7 | Confident | 31 Ų | 31 | 108.3 Ų | 108.3 | 16% | 0.159 | 59% | 0.591 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 111.9 | -179.3 | -55.6 | 172.8 | 0 | 0 | 0 | 107 | D40 E42 K44 E56 K60 | D40-I58 VanDerWaalsContact O-O 3.12Å; E42-I58 HydrophobicContact CB-CB 4.24Å; E42-I58 PolarHBondContact N-O 2.93Å; E42-I58 PolarHBondContact O-N 2.57Å; K44-I58 HydrophobicContact CD-CD1 4.09Å; E56-I58 HydrophobicContact CG-CG1 4.11Å; I58-K60 VanDerWaalsContact CG2-O 3.27Å; I58-K60 WeakPolarHBondContact CG2-O 3.5Å |
| 59 | L | 83.2 | Confident | 74.8 | Confident | 115 Ų | 115 | 111.6 Ų | 111.6 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -94.1 | -15.1 | -179.1 | -69 | 169 | 0 | 0 | 0 | 113.6 | D40 L41 V57 | D40-L59 WeakPolarHBondContact CB-O 3.3Å; D40-L59 CarbonylContact O-C 3.53Å; D40-L59 VanDerWaalsContact O-CA 3.22Å; D40-L59 WeakPolarHBondContact O-CA 3.24Å; L41-L59 HydrophobicContact CB-CD2 4.46Å; L41-L59 HydrophobicContact CD1-CD2 3.26Å; L41-L59 HydrophobicContact CD1-CG 4.27Å; L41-L59 HydrophobicContact CG-CD2 4.45Å; V57-L59 HydrophobicContact CG1-CD2 4.46Å; V57-L59 HydrophobicContact CG1-CG 4.4Å |
| 60 | K | 74.1 | Confident | 73 | Confident | 154 Ų | 154 | 107.3 Ų | 107.3 | 67% | 0.67 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -150.1 | 136.9 | 178.2 | -67.1 | -172.5 | 179.6 | 179.2 | 0 | 108 | I58 | I58-K60 VanDerWaalsContact CG2-O 3.27Å; I58-K60 WeakPolarHBondContact CG2-O 3.5Å |
| 61 | S | 65.9 | Low | 71.4 | Confident | 50 Ų | 50 | 101.1 Ų | 101.1 | 35% | 0.35 | 57% | 0.57 | S | S | . | * | trans | -65.7 | 146.6 | 177.1 | 74.8 | 0 | 0 | 0 | 0 | 109.4 | T63 D64 | S61-T63 PolarHBondContact O-N 3.43Å; S61-T63 PolarHBondContact OG-N 3Å; S61-D64 PolarHBondContact N-OD2 3.45Å; S61-D64 PolarHBondContact O-N 2.71Å; S61-D64 VanDerWaalsContact O-N 3.07Å; S61-D64 VanDerWaalsContact OG-CG 3.27Å; S61-D64 PolarHBondContact OG-N 2.78Å; S61-D64 PolarHBondContact OG-OD2 2.98Å | ||
| 62 | P | 62.3 | Low | 69.5 | Low | 113 Ų | 113 | 101.1 Ų | 101.1 | 73% | 0.734 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -13.8 | 173 | -22.7 | 32.9 | 0 | 0 | 0 | 113.5 | ||
| 63 | T | 57.5 | Low | 67.5 | Low | 116 Ų | 116 | 106 Ų | 106 | 71% | 0.712 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -13.8 | -179.1 | -34.1 | 0 | 0 | 0 | 0 | 112.9 | S61 L65 | S61-T63 PolarHBondContact O-N 3.43Å; S61-T63 PolarHBondContact OG-N 3Å; T63-L65 VanDerWaalsContact C-N 3.27Å; T63-L65 PolarHBondContact O-N 3.34Å |
| 64 | D | 58.8 | Low | 65.3 | Low | 98 Ų | 98 | 105.1 Ų | 105.1 | 52% | 0.524 | 59% | 0.592 | S | S | . | * | trans | -75.5 | 82.9 | 173 | -66.9 | -49.7 | 0 | 0 | 0 | 109.4 | S61 S66 | S61-D64 PolarHBondContact N-OD2 3.45Å; S61-D64 PolarHBondContact O-N 2.71Å; S61-D64 VanDerWaalsContact O-N 3.07Å; S61-D64 VanDerWaalsContact OG-CG 3.27Å; S61-D64 PolarHBondContact OG-N 2.78Å; S61-D64 PolarHBondContact OG-OD2 2.98Å; D64-S66 PolarHBondContact O-N 3.42Å | ||
| 65 | L | 57.7 | Low | 63.3 | Low | 162 Ų | 162 | 106.2 Ų | 106.2 | 85% | 0.848 | 60% | 0.599 | S | S | * | * | trans | -65.9 | 77.6 | 176.1 | -65.7 | 172.6 | 0 | 0 | 0 | 110.3 | T63 | T63-L65 VanDerWaalsContact C-N 3.27Å; T63-L65 PolarHBondContact O-N 3.34Å | ||
| 66 | S | 54.5 | Low | 61.3 | Low | 66 Ų | 66 | 106.1 Ų | 106.1 | 46% | 0.462 | 61% | 0.609 | S | S | . | * | trans | -68 | 129.2 | 158.6 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | D64 D68 R69 | D64-S66 PolarHBondContact O-N 3.42Å; S66-D68 PolarHBondContact O-N 3.3Å; S66-R69 PolarHBondContact O-N 3.31Å | ||
| 67 | P | 56.8 | Low | 59.3 | Low | 134 Ų | 134 | 106.3 Ų | 106.3 | 87% | 0.87 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -8.3 | -179.3 | 26.4 | -32.9 | 0 | 0 | 0 | 113.5 | ||
| 68 | D | 53.7 | Low | 57.3 | Low | 153 Ų | 153 | 107.5 Ų | 107.5 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 12.4 | -176 | -130 | 5.2 | 0 | 0 | 0 | 113.7 | S66 | S66-D68 PolarHBondContact O-N 3.3Š|
| 69 | R | 50.7 | Low | 55.5 | Low | 179 Ų | 179 | 112.6 Ų | 112.6 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -83.4 | 129.2 | 170 | -162 | 176.2 | -145.1 | -109.2 | 3.7 | 108.4 | S66 S71 | S66-R69 PolarHBondContact O-N 3.31Å; R69-S71 PolarHBondContact O-N 2.83Å |
| 70 | P | 51.6 | Low | 53.9 | Low | 99 Ų | 99 | 113.5 Ų | 113.5 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | trans | -58.3 | 111.1 | 163.3 | 23.6 | -29.2 | 0 | 0 | 0 | 106.5 | A74 | P70-A74 HydrophobicContact CB-CB 4.4Š| ||
| 71 | S | 51.6 | Low | 52.9 | Low | 65 Ų | 65 | 110.2 Ų | 110.2 | 46% | 0.455 | 67% | 0.67 | S | S | . | * | trans | -44.3 | 144.1 | 167.1 | 174.9 | 0 | 0 | 0 | 0 | 108.1 | R69 L73 A74 | R69-S71 PolarHBondContact O-N 2.83Å; S71-L73 PolarHBondContact O-N 2.81Å; S71-L73 PolarHBondContact OG-N 3.13Å; S71-A74 PolarHBondContact O-N 2.99Å | ||
| 72 | P | 49.7 | Very low | 52.6 | Low | 116 Ų | 116 | 112.5 Ų | 112.5 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | 9.7 | 170.5 | -18.8 | 31.2 | 0 | 0 | 0 | 114.3 | ||
| 73 | L | 48.4 | Very low | 52.5 | Low | 147 Ų | 147 | 112.8 Ų | 112.8 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 14.7 | 170.2 | -63 | 172.1 | 0 | 0 | 0 | 113.7 | S71 | S71-L73 PolarHBondContact O-N 2.81Å; S71-L73 PolarHBondContact OG-N 3.13Å |
| 74 | A | 46.7 | Very low | 52.7 | Low | 79 Ų | 79 | 116.3 Ų | 116.3 | 65% | 0.653 | 69% | 0.691 | S | S | * | * | trans | -100 | 35.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P70 S71 | P70-A74 HydrophobicContact CB-CB 4.4Å; S71-A74 PolarHBondContact O-N 2.99Å | ||
| 75 | S | 50 | Low | 53.2 | Low | 74 Ų | 74 | 122.5 Ų | 122.5 | 52% | 0.517 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -61.6 | 145.4 | 134.4 | 38.2 | 0 | 0 | 0 | 0 | 106.8 | ||
| 76 | P | 49.3 | Very low | 54.1 | Low | 108 Ų | 108 | 122.5 Ų | 122.5 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 144.1 | 169.9 | -17.6 | 27.9 | 0 | 0 | 0 | 107.5 | A78 | P76-A78 PolarHBondContact O-N 2.77Š|
| 77 | P | 46.9 | Very low | 55.3 | Low | 108 Ų | 108 | 123.7 Ų | 123.7 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 116.8 | 174.5 | 20.4 | -30.6 | 0 | 0 | 0 | 105.1 | L79 | P77-L79 PolarHBondContact O-N 2.62Š|
| 78 | A | 48.6 | Very low | 56.9 | Low | 91 Ų | 91 | 119.8 Ų | 119.8 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | trans | -60.4 | 88.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 103.2 | P76 T80 | P76-A78 PolarHBondContact O-N 2.77Å; A78-T80 PolarHBondContact O-N 2.71Å | ||
| 79 | L | 48 | Very low | 58.8 | Low | 138 Ų | 138 | 118.6 Ų | 118.6 | 72% | 0.723 | 68% | 0.677 | S | S | * | * | trans | -65.2 | 78 | 163.7 | -70.8 | 179.8 | 0 | 0 | 0 | 103.6 | P77 S81 | P77-L79 PolarHBondContact O-N 2.62Å; L79-S81 PolarHBondContact O-N 2.66Å | ||
| 80 | T | 49.9 | Very low | 60.8 | Low | 134 Ų | 134 | 116 Ų | 116 | 82% | 0.822 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 43.8 | 28.8 | 136.8 | 59.5 | 0 | 0 | 0 | 0 | 116.6 | A78 | A78-T80 PolarHBondContact O-N 2.71Š|
| 81 | S | 51.8 | Low | 62.8 | Low | 85 Ų | 85 | 116.4 Ų | 116.4 | 59% | 0.594 | 67% | 0.67 | S | S | * | * | trans | -88.7 | 123.8 | 153.2 | 63.6 | 0 | 0 | 0 | 0 | 105.7 | L79 | L79-S81 PolarHBondContact O-N 2.66Š| ||
| 82 | P | 59.7 | Low | 64.8 | Low | 97 Ų | 97 | 118 Ų | 118 | 63% | 0.63 | 67% | 0.673 | S | S | * | * | trans | -44.2 | 149.3 | 162 | -21.3 | 30.6 | 0 | 0 | 0 | 108.9 | K84 | P82-K84 PolarHBondContact O-N 2.92Š| ||
| 83 | P | 60.2 | Low | 67 | Low | 119 Ų | 119 | 117 Ų | 117 | 77% | 0.773 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -45.1 | 121 | 169.7 | 20.8 | -31.4 | 0 | 0 | 0 | 106.5 | R85 | P83-R85 PolarHBondContact O-N 2.81Š|
| 84 | K | 63.2 | Low | 69.3 | Low | 190 Ų | 190 | 111.6 Ų | 111.6 | 83% | 0.826 | 64% | 0.638 | S | S | * | * | trans | -49.7 | 112.8 | -174.5 | -74 | -177.2 | -178.6 | 177.7 | 0 | 105.1 | P82 D86 | P82-K84 PolarHBondContact O-N 2.92Å; K84-D86 PolarHBondContact O-N 3.25Å | ||
| 85 | R | 69.2 | Low | 71.7 | Confident | 228 Ų | 228 | 115 Ų | 115 | 86% | 0.86 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 132.8 | 174 | -69.9 | -171.5 | 178.5 | 171 | -0.1 | 105.4 | P83 I87 | P83-R85 PolarHBondContact O-N 2.81Å; R85-I87 PolarHBondContact O-N 3Å |
| 86 | D | 75.6 | Confident | 74 | Confident | 163 Ų | 163 | 117 Ų | 117 | 87% | 0.872 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 118.2 | 174 | -68.5 | -41.6 | 0 | 0 | 0 | 107 | K84 S88 | K84-D86 PolarHBondContact O-N 3.25Å; D86-S88 PolarHBondContact O-N 3.2Å |
| 87 | I | 79.8 | Confident | 76.3 | Confident | 90 Ų | 90 | 116.7 Ų | 116.7 | 46% | 0.462 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 122.4 | -176.7 | -60.8 | 167.7 | 0 | 0 | 0 | 106 | R85 E91 L92 | R85-I87 PolarHBondContact O-N 3Å; I87-E91 HydrophobicContact CG2-CB 3.73Å; I87-L92 HydrophobicContact CG2-CB 4.3Å |
| 88 | S | 89.9 | Confident | 78.7 | Confident | 53 Ų | 53 | 113.4 Ų | 113.4 | 37% | 0.371 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 156.9 | 178.6 | 73.4 | 0 | 0 | 0 | 0 | 110.2 | D86 D90 E91 L92 | D86-S88 PolarHBondContact O-N 3.2Å; S88-D90 PolarHBondContact O-N 3.14Å; S88-E91 PolarHBondContact O-N 3.06Å; S88-E91 VanDerWaalsContact O-N 3.15Å; S88-E91 PolarHBondContact OG-N 3.27Å; S88-L92 PolarHBondContact O-N 3.12Å |
| 89 | L | 93.4 | Very high | 81.1 | Confident | 127 Ų | 127 | 110.6 Ų | 110.6 | 67% | 0.665 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -54.7 | -41.4 | 175.8 | -170.7 | 156.2 | 0 | 0 | 0 | 110.9 | L92 Q93 | L89-L92 PolarHBondContact O-N 3.15Å; L89-Q93 WeakPolarHBondContact O-CB 3.33Å; L89-Q93 PolarHBondContact O-N 3.11Å |
| 90 | D | 92.9 | Very high | 83.5 | Confident | 124 Ų | 124 | 107.5 Ų | 107.5 | 66% | 0.663 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.1 | -41.9 | 178.4 | -61.1 | -18.5 | 0 | 0 | 0 | 112.6 | S88 L92 Q93 G94 | S88-D90 PolarHBondContact O-N 3.14Å; D90-L92 VanDerWaalsContact C-N 3.35Å; D90-Q93 PolarHBondContact O-N 3.26Å; D90-G94 PolarHBondContact O-N 3.15Å |
| 91 | E | 93.2 | Very high | 85.8 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 51% | 0.509 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.3 | -37.5 | 176.2 | -81 | -172.9 | 166.8 | 0 | 0 | 112 | I87 S88 R95 | I87-E91 HydrophobicContact CG2-CB 3.73Å; S88-E91 PolarHBondContact O-N 3.06Å; S88-E91 VanDerWaalsContact O-N 3.15Å; S88-E91 PolarHBondContact OG-N 3.27Å; E91-R95 WeakPolarHBondContact O-CG 3.47Å; E91-R95 PolarHBondContact O-N 3.07Å; E91-R95 VanDerWaalsContact O-N 3.14Å |
| 92 | L | 94 | Very high | 88 | Confident | 97 Ų | 97 | 109.4 Ų | 109.4 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.5 | -44.8 | 175.9 | -176.5 | 64.3 | 0 | 0 | 0 | 110.8 | I87 S88 L89 D90 R95 L96 | I87-L92 HydrophobicContact CG2-CB 4.3Å; S88-L92 PolarHBondContact O-N 3.12Å; L89-L92 PolarHBondContact O-N 3.15Å; D90-L92 VanDerWaalsContact C-N 3.35Å; L92-R95 PolarHBondContact O-N 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.48Å; L92-L96 PolarHBondContact O-N 2.86Å; L92-L96 VanDerWaalsContact O-N 3.12Å |
| 93 | Q | 96.3 | Very high | 89.9 | Confident | 95 Ų | 95 | 111.9 Ų | 111.9 | 44% | 0.444 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 178 | -170.4 | 172.3 | -20.7 | 0 | 0 | 111.4 | L89 D90 R95 L96 E97 | L89-Q93 WeakPolarHBondContact O-CB 3.33Å; L89-Q93 PolarHBondContact O-N 3.11Å; D90-Q93 PolarHBondContact O-N 3.26Å; Q93-R95 VanDerWaalsContact C-N 3.28Å; Q93-R95 PolarHBondContact O-N 3.26Å; Q93-L96 WeakPolarHBondContact O-CB 3.48Å; Q93-L96 PolarHBondContact O-N 3.41Å; Q93-E97 PolarHBondContact NE2-OE1 3.23Å; Q93-E97 VanDerWaalsContact NE2-OE1 3.15Å; Q93-E97 PolarHBondContact O-N 3.11Å |
| 94 | G | 97.1 | Very high | 91.7 | Very high | 34 Ų | 34 | 110.6 Ų | 110.6 | 35% | 0.351 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.3 | -34.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D90 A98 | D90-G94 PolarHBondContact O-N 3.15Å; G94-A98 VanDerWaalsContact O-CB 3.27Å; G94-A98 WeakPolarHBondContact O-CB 3.27Å; G94-A98 PolarHBondContact O-N 2.95Å |
| 95 | R | 96.9 | Very high | 93.4 | Very high | 152 Ų | 152 | 105 Ų | 105 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.3 | -38.2 | 173.7 | -72.8 | 176.8 | -171.6 | -162.2 | 5.4 | 112.6 | E91 L92 Q93 A99 | E91-R95 WeakPolarHBondContact O-CG 3.47Å; E91-R95 PolarHBondContact O-N 3.07Å; E91-R95 VanDerWaalsContact O-N 3.14Å; L92-R95 PolarHBondContact O-N 3.29Å; Q93-R95 VanDerWaalsContact C-N 3.28Å; Q93-R95 PolarHBondContact O-N 3.26Å; R95-A99 PolarHBondContact O-N 3.19Å; R95-A99 VanDerWaalsContact O-N 3.15Å |
| 96 | L | 97.9 | Very high | 94.8 | Very high | 115 Ų | 115 | 100.5 Ų | 100.5 | 60% | 0.602 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.6 | -46.6 | 176.3 | -68.9 | 173.7 | 0 | 0 | 0 | 111.1 | L92 Q93 A98 A99 E100 | L92-L96 WeakPolarHBondContact O-CG 3.48Å; L92-L96 PolarHBondContact O-N 2.86Å; L92-L96 VanDerWaalsContact O-N 3.12Å; Q93-L96 WeakPolarHBondContact O-CB 3.48Å; Q93-L96 PolarHBondContact O-N 3.41Å; L96-A98 PolarHBondContact O-N 3.04Å; L96-A99 WeakPolarHBondContact O-CB 3.41Å; L96-A99 PolarHBondContact O-N 3.16Å; L96-A99 VanDerWaalsContact O-N 3.13Å; L96-E100 PolarHBondContact O-N 3.49Å |
| 97 | E | 97.8 | Very high | 95.9 | Very high | 101 Ų | 101 | 98.6 Ų | 98.6 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 176 | -75.2 | 175.1 | -169 | 0 | 0 | 111.2 | Q93 A99 E100 E101 | Q93-E97 PolarHBondContact NE2-OE1 3.23Å; Q93-E97 VanDerWaalsContact NE2-OE1 3.15Å; Q93-E97 PolarHBondContact O-N 3.11Å; E97-A99 VanDerWaalsContact C-N 3.26Å; E97-A99 PolarHBondContact O-N 3.34Å; E97-E100 WeakPolarHBondContact O-CB 3.39Å; E97-E100 PolarHBondContact O-N 3.24Å; E97-E100 VanDerWaalsContact O-N 3.08Å; E97-E101 PolarHBondContact O-N 2.87Å |
| 98 | A | 98.3 | Very high | 96.7 | Very high | 40 Ų | 40 | 96.5 Ų | 96.5 | 33% | 0.331 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -33.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G94 L96 R102 | G94-A98 VanDerWaalsContact O-CB 3.27Å; G94-A98 WeakPolarHBondContact O-CB 3.27Å; G94-A98 PolarHBondContact O-N 2.95Å; L96-A98 PolarHBondContact O-N 3.04Å; A98-R102 WeakPolarHBondContact O-CG 3.4Å; A98-R102 PolarHBondContact O-N 3.27Å; A98-R102 PolarHBondContact O-NH1 2.88Å; A98-R102 VanDerWaalsContact O-NH1 3.11Å |
| 99 | A | 98.3 | Very high | 97.1 | Very high | 32 Ų | 32 | 98.5 Ų | 98.5 | 26% | 0.264 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.3 | -36.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R95 L96 E97 R102 R103 | R95-A99 PolarHBondContact O-N 3.19Å; R95-A99 VanDerWaalsContact O-N 3.15Å; L96-A99 WeakPolarHBondContact O-CB 3.41Å; L96-A99 PolarHBondContact O-N 3.16Å; L96-A99 VanDerWaalsContact O-N 3.13Å; E97-A99 VanDerWaalsContact C-N 3.26Å; E97-A99 PolarHBondContact O-N 3.34Å; A99-R102 PolarHBondContact O-N 3.13Å; A99-R103 PolarHBondContact O-N 2.88Å; A99-R103 VanDerWaalsContact O-N 3.16Å |
| 100 | E | 98.1 | Very high | 97.4 | Very high | 73 Ų | 73 | 96.6 Ų | 96.6 | 34% | 0.341 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 173.9 | 176.6 | 170.5 | 170.8 | 0 | 0 | 112.3 | L96 E97 R102 R103 K104 | L96-E100 PolarHBondContact O-N 3.49Å; E97-E100 WeakPolarHBondContact O-CB 3.39Å; E97-E100 PolarHBondContact O-N 3.24Å; E97-E100 VanDerWaalsContact O-N 3.08Å; E100-R102 VanDerWaalsContact C-N 3.27Å; E100-R102 PolarHBondContact O-N 3.48Å; E100-R103 WeakPolarHBondContact O-CB 3.42Å; E100-R103 PolarHBondContact O-N 3.37Å; E100-K104 HydrophobicContact CG-CD 4.24Å; E100-K104 HydrophobicContact CG-CG 4.45Å; E100-K104 PolarHBondContact O-N 2.84Å; E100-K104 WeakPolarHBondContact OE1-CE 3.48Å; E100-K104 IonicContact OE1-NZ 2.91Å; E100-K104 PolarHBondContact OE1-NZ 2.91Å |
| 101 | E | 98.3 | Very high | 97.7 | Very high | 108 Ų | 108 | 95.3 Ų | 95.3 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 176.9 | -73.5 | -55 | 124.1 | 0 | 0 | 112 | E97 K104 S105 | E97-E101 PolarHBondContact O-N 2.87Å; E101-K104 PolarHBondContact O-N 3.08Å; E101-K104 WeakPolarHBondContact OE1-CD 3.48Å; E101-K104 IonicContact OE1-NZ 3.58Å; E101-K104 PolarHBondContact OE1-NZ 2.93Å; E101-S105 WeakPolarHBondContact O-CB 3.5Å; E101-S105 PolarHBondContact O-N 3Å |
| 102 | R | 98.6 | Very high | 97.9 | Very high | 150 Ų | 150 | 97.5 Ų | 97.5 | 57% | 0.566 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.2 | -41.5 | 171.4 | -75.2 | -171.4 | -62 | -86 | 3 | 112.5 | A98 A99 E100 Q106 | A98-R102 WeakPolarHBondContact O-CG 3.4Å; A98-R102 PolarHBondContact O-N 3.27Å; A98-R102 PolarHBondContact O-NH1 2.88Å; A98-R102 VanDerWaalsContact O-NH1 3.11Å; A99-R102 PolarHBondContact O-N 3.13Å; E100-R102 VanDerWaalsContact C-N 3.27Å; E100-R102 PolarHBondContact O-N 3.48Å; R102-Q106 WeakPolarHBondContact O-CG 3.21Å; R102-Q106 PolarHBondContact O-N 3.36Å; R102-Q106 VanDerWaalsContact O-N 3.11Å |
| 103 | R | 98.5 | Very high | 98.1 | Very high | 150 Ų | 150 | 97.5 Ų | 97.5 | 57% | 0.566 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.8 | -49.5 | 174.2 | -72.6 | -165.4 | -44.9 | -86.2 | -2.9 | 111.2 | A99 E100 S105 Q106 E107 | A99-R103 PolarHBondContact O-N 2.88Å; A99-R103 VanDerWaalsContact O-N 3.16Å; E100-R103 WeakPolarHBondContact O-CB 3.42Å; E100-R103 PolarHBondContact O-N 3.37Å; R103-S105 VanDerWaalsContact C-N 3.3Å; R103-S105 PolarHBondContact O-N 2.91Å; R103-Q106 PolarHBondContact O-N 3.1Å; R103-E107 WeakPolarHBondContact O-CB 3.42Å; R103-E107 PolarHBondContact O-N 3.35Å |
| 104 | K | 98.6 | Very high | 98.2 | Very high | 92 Ų | 92 | 96.8 Ų | 96.8 | 40% | 0.4 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 179.8 | -73.4 | 177.7 | -175.8 | 158.6 | 0 | 111.8 | E100 E101 E107 A108 | E100-K104 HydrophobicContact CG-CD 4.24Å; E100-K104 HydrophobicContact CG-CG 4.45Å; E100-K104 PolarHBondContact O-N 2.84Å; E100-K104 WeakPolarHBondContact OE1-CE 3.48Å; E100-K104 IonicContact OE1-NZ 2.91Å; E100-K104 PolarHBondContact OE1-NZ 2.91Å; E101-K104 PolarHBondContact O-N 3.08Å; E101-K104 WeakPolarHBondContact OE1-CD 3.48Å; E101-K104 IonicContact OE1-NZ 3.58Å; E101-K104 PolarHBondContact OE1-NZ 2.93Å; K104-E107 PolarHBondContact O-N 3.24Å; K104-A108 VanDerWaalsContact O-CB 3.25Å; K104-A108 WeakPolarHBondContact O-CB 3.32Å; K104-A108 PolarHBondContact O-N 3.43Å |
| 105 | S | 98.4 | Very high | 98.3 | Very high | 72 Ų | 72 | 98 Ų | 98 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 177 | 178.9 | 0 | 0 | 0 | 0 | 112.1 | E101 R103 A108 Q109 | E101-S105 WeakPolarHBondContact O-CB 3.5Å; E101-S105 PolarHBondContact O-N 3Å; R103-S105 VanDerWaalsContact C-N 3.3Å; R103-S105 PolarHBondContact O-N 2.91Å; S105-A108 PolarHBondContact O-N 3.46Å; S105-Q109 PolarHBondContact O-N 3.39Å |
| 106 | Q | 98.4 | Very high | 98.4 | Very high | 133 Ų | 133 | 95.7 Ų | 95.7 | 62% | 0.621 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 174.9 | -73.9 | -179.9 | 0.3 | 0 | 0 | 111.7 | R102 R103 Q109 V110 | R102-Q106 WeakPolarHBondContact O-CG 3.21Å; R102-Q106 PolarHBondContact O-N 3.36Å; R102-Q106 VanDerWaalsContact O-N 3.11Å; R103-Q106 PolarHBondContact O-N 3.1Å; Q106-Q109 WeakPolarHBondContact O-CB 3.36Å; Q106-Q109 PolarHBondContact O-N 3.42Å; Q106-V110 WeakPolarHBondContact O-CG2 3.35Å; Q106-V110 PolarHBondContact O-N 2.94Å |
| 107 | E | 98.3 | Very high | 98.4 | Very high | 123 Ų | 123 | 97.9 Ų | 97.9 | 58% | 0.575 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.7 | -46.5 | 176.7 | -174.8 | 177.7 | 177.6 | 0 | 0 | 111.5 | R103 K104 Q109 V110 L111 | R103-E107 WeakPolarHBondContact O-CB 3.42Å; R103-E107 PolarHBondContact O-N 3.35Å; K104-E107 PolarHBondContact O-N 3.24Å; E107-Q109 VanDerWaalsContact C-N 3.29Å; E107-Q109 PolarHBondContact O-N 3.28Å; E107-V110 PolarHBondContact O-N 3.32Å; E107-V110 VanDerWaalsContact O-N 3.14Å; E107-L111 HydrophobicContact CG-CD1 4.17Å; E107-L111 HydrophobicContact CG-CG 4.48Å; E107-L111 WeakPolarHBondContact O-CG 3.49Å; E107-L111 PolarHBondContact O-N 3.08Å |
| 108 | A | 98.4 | Very high | 98.4 | Very high | 46 Ų | 46 | 100.2 Ų | 100.2 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.6 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | K104 S105 L111 R112 | K104-A108 VanDerWaalsContact O-CB 3.25Å; K104-A108 WeakPolarHBondContact O-CB 3.32Å; K104-A108 PolarHBondContact O-N 3.43Å; S105-A108 PolarHBondContact O-N 3.46Å; A108-L111 PolarHBondContact O-N 3.3Å; A108-R112 WeakPolarHBondContact O-CB 3.01Å; A108-R112 VanDerWaalsContact O-CG 3.31Å; A108-R112 WeakPolarHBondContact O-CG 3.34Å; A108-R112 PolarHBondContact O-N 2.84Å |
| 109 | Q | 98.3 | Very high | 98.4 | Very high | 96 Ų | 96 | 104 Ų | 104 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 174.2 | -174.4 | 178.7 | 3.1 | 0 | 0 | 112 | S105 Q106 E107 R112 H113 | S105-Q109 PolarHBondContact O-N 3.39Å; Q106-Q109 WeakPolarHBondContact O-CB 3.36Å; Q106-Q109 PolarHBondContact O-N 3.42Å; E107-Q109 VanDerWaalsContact C-N 3.29Å; E107-Q109 PolarHBondContact O-N 3.28Å; Q109-R112 PolarHBondContact O-N 3.15Å; Q109-H113 PolarHBondContact O-CD2 3.44Å; Q109-H113 PolarHBondContact O-N 3.33Å; Q109-H113 VanDerWaalsContact O-N 3.1Å |
| 110 | V | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 107.6 Ų | 107.6 | 53% | 0.527 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | Q106 E107 R112 H113 L114 | Q106-V110 WeakPolarHBondContact O-CG2 3.35Å; Q106-V110 PolarHBondContact O-N 2.94Å; E107-V110 PolarHBondContact O-N 3.32Å; E107-V110 VanDerWaalsContact O-N 3.14Å; V110-R112 VanDerWaalsContact C-N 3.34Å; V110-R112 PolarHBondContact O-N 2.97Å; V110-H113 PolarHBondContact O-N 3.47Å; V110-L114 HydrophobicContact CG1-CD1 4.07Å; V110-L114 HydrophobicContact CG1-CG 4.47Å; V110-L114 WeakPolarHBondContact O-CG 3.25Å; V110-L114 PolarHBondContact O-N 2.93Å |
| 111 | L | 98.6 | Very high | 98.5 | Very high | 97 Ų | 97 | 108.5 Ų | 108.5 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 177.8 | -70.6 | 174.8 | 0 | 0 | 0 | 112.3 | E107 A108 L114 A115 | E107-L111 HydrophobicContact CG-CD1 4.17Å; E107-L111 HydrophobicContact CG-CG 4.48Å; E107-L111 WeakPolarHBondContact O-CG 3.49Å; E107-L111 PolarHBondContact O-N 3.08Å; A108-L111 PolarHBondContact O-N 3.3Å; L111-L114 PolarHBondContact O-N 2.81Å; L111-A115 WeakPolarHBondContact O-CB 3.31Å; L111-A115 PolarHBondContact O-N 2.94Å |
| 112 | R | 98.5 | Very high | 98.5 | Very high | 155 Ų | 155 | 110.7 Ų | 110.7 | 59% | 0.585 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.1 | -49.6 | 174.2 | -77.6 | -173.7 | -61.7 | -175.4 | 3 | 111.8 | A108 Q109 V110 L114 A115 E116 | A108-R112 WeakPolarHBondContact O-CB 3.01Å; A108-R112 VanDerWaalsContact O-CG 3.31Å; A108-R112 WeakPolarHBondContact O-CG 3.34Å; A108-R112 PolarHBondContact O-N 2.84Å; Q109-R112 PolarHBondContact O-N 3.15Å; V110-R112 VanDerWaalsContact C-N 3.34Å; V110-R112 PolarHBondContact O-N 2.97Å; R112-L114 VanDerWaalsContact C-N 3.29Å; R112-L114 PolarHBondContact O-N 2.77Å; R112-A115 WeakPolarHBondContact O-CB 3.47Å; R112-A115 PolarHBondContact O-N 3.33Å; R112-A115 VanDerWaalsContact O-N 3.09Å; R112-E116 WeakPolarHBondContact O-CG 3.49Å; R112-E116 PolarHBondContact O-N 3.46Å |
| 113 | H | 98.5 | Very high | 98.5 | Very high | 97 Ų | 97 | 108.6 Ų | 108.6 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -35.4 | 177.5 | -77.2 | -46.4 | 0 | 0 | 0 | 113.2 | Q109 V110 E116 R117 | Q109-H113 PolarHBondContact O-CD2 3.44Å; Q109-H113 PolarHBondContact O-N 3.33Å; Q109-H113 VanDerWaalsContact O-N 3.1Å; V110-H113 PolarHBondContact O-N 3.47Å; H113-E116 IonicContact CE1-OE2 3.82Å; H113-E116 IonicContact CG-OE2 3.74Å; H113-E116 IonicContact ND1-OE2 3.67Å; H113-E116 PolarHBondContact ND1-OE2 3.14Å; H113-R117 WeakPolarHBondContact O-CG 3.49Å; H113-R117 PolarHBondContact O-N 2.86Å; H113-R117 VanDerWaalsContact O-N 3.08Å |
| 114 | L | 98.6 | Very high | 98.5 | Very high | 80 Ų | 80 | 105 Ų | 105 | 42% | 0.419 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 173.5 | -70 | 173.9 | 0 | 0 | 0 | 111.8 | V110 L111 R112 R117 R118 | V110-L114 HydrophobicContact CG1-CD1 4.07Å; V110-L114 HydrophobicContact CG1-CG 4.47Å; V110-L114 WeakPolarHBondContact O-CG 3.25Å; V110-L114 PolarHBondContact O-N 2.93Å; L111-L114 PolarHBondContact O-N 2.81Å; R112-L114 VanDerWaalsContact C-N 3.29Å; R112-L114 PolarHBondContact O-N 2.77Å; L114-R117 PolarHBondContact O-N 3.09Å; L114-R118 VanDerWaalsContact O-CG 3.24Å; L114-R118 WeakPolarHBondContact O-CG 3.47Å; L114-R118 PolarHBondContact O-N 2.96Å; L114-R118 VanDerWaalsContact O-N 3.09Å |
| 115 | A | 98.5 | Very high | 98.5 | Very high | 59 Ų | 59 | 106.9 Ų | 106.9 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L111 R112 R117 R118 E119 | L111-A115 WeakPolarHBondContact O-CB 3.31Å; L111-A115 PolarHBondContact O-N 2.94Å; R112-A115 WeakPolarHBondContact O-CB 3.47Å; R112-A115 PolarHBondContact O-N 3.33Å; R112-A115 VanDerWaalsContact O-N 3.09Å; A115-R117 VanDerWaalsContact C-N 3.31Å; A115-R117 PolarHBondContact O-N 2.88Å; A115-R118 WeakPolarHBondContact O-CB 3.33Å; A115-R118 PolarHBondContact O-N 3.43Å; A115-R118 VanDerWaalsContact O-N 3.08Å; A115-E119 PolarHBondContact O-N 3.37Å |
| 116 | E | 98.5 | Very high | 98.5 | Very high | 104 Ų | 104 | 108.7 Ų | 108.7 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.4 | -45.1 | 174.9 | -72.5 | 165.7 | -176.5 | 0 | 0 | 111.4 | R112 H113 R118 E119 H120 | R112-E116 WeakPolarHBondContact O-CG 3.49Å; R112-E116 PolarHBondContact O-N 3.46Å; H113-E116 IonicContact CE1-OE2 3.82Å; H113-E116 IonicContact CG-OE2 3.74Å; H113-E116 IonicContact ND1-OE2 3.67Å; H113-E116 PolarHBondContact ND1-OE2 3.14Å; E116-R118 VanDerWaalsContact C-N 3.33Å; E116-R118 PolarHBondContact O-N 2.86Å; E116-E119 PolarHBondContact O-N 2.89Å; E116-H120 WeakPolarHBondContact O-CB 3.43Å; E116-H120 PolarHBondContact O-N 3.08Å |
| 117 | R | 98.4 | Very high | 98.5 | Very high | 161 Ų | 161 | 108.1 Ų | 108.1 | 61% | 0.608 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -39.2 | 176.4 | -75.1 | -176.7 | 63.8 | -176.1 | -1.2 | 112.8 | H113 L114 A115 H120 E121 | H113-R117 WeakPolarHBondContact O-CG 3.49Å; H113-R117 PolarHBondContact O-N 2.86Å; H113-R117 VanDerWaalsContact O-N 3.08Å; L114-R117 PolarHBondContact O-N 3.09Å; A115-R117 VanDerWaalsContact C-N 3.31Å; A115-R117 PolarHBondContact O-N 2.88Å; R117-H120 PolarHBondContact O-N 3.33Å; R117-E121 WeakPolarHBondContact O-CG 3.32Å; R117-E121 PolarHBondContact O-N 2.97Å |
| 118 | R | 98.6 | Very high | 98.5 | Very high | 150 Ų | 150 | 105 Ų | 105 | 57% | 0.566 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.2 | -34.8 | 178.3 | -69.6 | -72.9 | 161.7 | 78.6 | 3.7 | 112.4 | L114 A115 E116 E121 K122 | L114-R118 VanDerWaalsContact O-CG 3.24Å; L114-R118 WeakPolarHBondContact O-CG 3.47Å; L114-R118 PolarHBondContact O-N 2.96Å; L114-R118 VanDerWaalsContact O-N 3.09Å; A115-R118 WeakPolarHBondContact O-CB 3.33Å; A115-R118 PolarHBondContact O-N 3.43Å; A115-R118 VanDerWaalsContact O-N 3.08Å; E116-R118 VanDerWaalsContact C-N 3.33Å; E116-R118 PolarHBondContact O-N 2.86Å; R118-E121 WeakPolarHBondContact CD-OE2 3.24Å; R118-E121 IonicContact NE-OE2 3.5Å; R118-K122 WeakPolarHBondContact O-CG 3.37Å; R118-K122 PolarHBondContact O-N 3.31Å |
| 119 | E | 98.4 | Very high | 98.4 | Very high | 119 Ų | 119 | 108.6 Ų | 108.6 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -48.2 | 171.9 | -175.7 | 166.8 | -150.9 | 0 | 0 | 110.2 | A115 E116 E121 K122 E123 | A115-E119 PolarHBondContact O-N 3.37Å; E116-E119 PolarHBondContact O-N 2.89Å; E119-E121 VanDerWaalsContact C-N 3.34Å; E119-E121 PolarHBondContact O-N 3.43Å; E119-K122 WeakPolarHBondContact O-CA 3.07Å; E119-K122 WeakPolarHBondContact O-CB 3.46Å; E119-K122 PolarHBondContact O-N 3.22Å; E119-E123 WeakPolarHBondContact O-CG 3.38Å; E119-E123 PolarHBondContact O-N 2.94Å |
| 120 | H | 98.6 | Very high | 98.4 | Very high | 108 Ų | 108 | 109 Ų | 109 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 177.2 | -172.5 | 58 | 0 | 0 | 0 | 113.2 | E116 R117 K122 E123 V124 | E116-H120 WeakPolarHBondContact O-CB 3.43Å; E116-H120 PolarHBondContact O-N 3.08Å; R117-H120 PolarHBondContact O-N 3.33Å; H120-K122 VanDerWaalsContact C-N 3.27Å; H120-K122 PolarHBondContact O-N 3.09Å; H120-E123 IonicContact ND1-OE2 3.91Å; H120-E123 PolarHBondContact O-N 3.41Å; H120-V124 WeakPolarHBondContact O-CG2 3.39Å; H120-V124 PolarHBondContact O-N 2.88Å |
| 121 | E | 98.3 | Very high | 98.4 | Very high | 91 Ų | 91 | 110.2 Ų | 110.2 | 43% | 0.425 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.9 | -41.2 | 173.7 | -75.8 | 166.3 | -164 | 0 | 0 | 111.8 | R117 R118 E119 L125 | R117-E121 WeakPolarHBondContact O-CG 3.32Å; R117-E121 PolarHBondContact O-N 2.97Å; R118-E121 WeakPolarHBondContact CD-OE2 3.24Å; R118-E121 IonicContact NE-OE2 3.5Å; E119-E121 VanDerWaalsContact C-N 3.34Å; E119-E121 PolarHBondContact O-N 3.43Å; E121-L125 WeakPolarHBondContact O-CG 3.39Å; E121-L125 PolarHBondContact O-N 3.01Å |
| 122 | K | 98.6 | Very high | 98.4 | Very high | 154 Ų | 154 | 110.2 Ų | 110.2 | 67% | 0.67 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.7 | -43 | 176.2 | -67.8 | 171.5 | -176.5 | 177.6 | 0 | 112 | R118 E119 H120 V124 L125 H126 | R118-K122 WeakPolarHBondContact O-CG 3.37Å; R118-K122 PolarHBondContact O-N 3.31Å; E119-K122 WeakPolarHBondContact O-CA 3.07Å; E119-K122 WeakPolarHBondContact O-CB 3.46Å; E119-K122 PolarHBondContact O-N 3.22Å; H120-K122 VanDerWaalsContact C-N 3.27Å; H120-K122 PolarHBondContact O-N 3.09Å; K122-V124 VanDerWaalsContact C-N 3.32Å; K122-V124 PolarHBondContact O-N 3.23Å; K122-L125 PolarHBondContact O-N 3.28Å; K122-H126 WeakPolarHBondContact O-CB 3.46Å; K122-H126 PolarHBondContact O-N 3.46Å |
| 123 | E | 98.4 | Very high | 98.4 | Very high | 106 Ų | 106 | 106.9 Ų | 106.9 | 50% | 0.495 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 177.5 | -70.5 | 175.7 | 166.9 | 0 | 0 | 111.6 | E119 H120 H126 K127 | E119-E123 WeakPolarHBondContact O-CG 3.38Å; E119-E123 PolarHBondContact O-N 2.94Å; H120-E123 IonicContact ND1-OE2 3.91Å; H120-E123 PolarHBondContact O-N 3.41Å; E123-H126 PolarHBondContact O-N 3.35Å; E123-K127 VanDerWaalsContact O-CB 3.25Å; E123-K127 WeakPolarHBondContact O-CB 3.37Å; E123-K127 PolarHBondContact O-N 2.84Å |
| 124 | V | 98.7 | Very high | 98.4 | Very high | 76 Ų | 76 | 106.3 Ų | 106.3 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 178.2 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | H120 K122 K127 A128 | H120-V124 WeakPolarHBondContact O-CG2 3.39Å; H120-V124 PolarHBondContact O-N 2.88Å; K122-V124 VanDerWaalsContact C-N 3.32Å; K122-V124 PolarHBondContact O-N 3.23Å; V124-K127 PolarHBondContact O-N 3.35Å; V124-A128 WeakPolarHBondContact O-CB 3.47Å; V124-A128 PolarHBondContact O-N 2.92Å |
| 125 | L | 98.2 | Very high | 98.4 | Very high | 130 Ų | 130 | 109.2 Ų | 109.2 | 68% | 0.681 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 177 | -73.7 | 176.1 | 0 | 0 | 0 | 112 | E121 K122 A128 M129 | E121-L125 WeakPolarHBondContact O-CG 3.39Å; E121-L125 PolarHBondContact O-N 3.01Å; K122-L125 PolarHBondContact O-N 3.28Å; L125-A128 PolarHBondContact O-N 3.37Å; L125-M129 PolarHBondContact O-N 2.91Å; L125-M129 VanDerWaalsContact O-N 3.12Å |
| 126 | H | 98.3 | Very high | 98.4 | Very high | 110 Ų | 110 | 109.4 Ų | 109.4 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 177 | -172.4 | -91.5 | 0 | 0 | 0 | 111.2 | K122 E123 A128 M129 E130 | K122-H126 WeakPolarHBondContact O-CB 3.46Å; K122-H126 PolarHBondContact O-N 3.46Å; E123-H126 PolarHBondContact O-N 3.35Å; H126-A128 VanDerWaalsContact C-N 3.34Å; H126-A128 PolarHBondContact O-N 3.35Å; H126-M129 WeakPolarHBondContact O-CB 3.38Å; H126-M129 PolarHBondContact O-N 3.18Å; H126-M129 VanDerWaalsContact O-N 3.11Å; H126-E130 IonicContact CE1-OE1 3.05Å; H126-E130 PolarHBondContact CE1-OE1 3.4Å; H126-E130 IonicContact CE1-OE2 3.08Å; H126-E130 PolarHBondContact CE1-OE2 3.41Å; H126-E130 IonicContact ND1-OE1 3.28Å; H126-E130 IonicContact ND1-OE2 3.53Å; H126-E130 PolarHBondContact ND1-OE2 3.43Å; H126-E130 VanDerWaalsContact ND1-OE2 3.08Å; H126-E130 WeakPolarHBondContact O-CG 3.48Å; H126-E130 PolarHBondContact O-N 3.08Å |
| 127 | K | 98.6 | Very high | 98.4 | Very high | 121 Ų | 121 | 110.1 Ų | 110.1 | 53% | 0.526 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 179.1 | -176.1 | 174.5 | 177.9 | 179.8 | 0 | 112.1 | E123 V124 M129 E130 E131 | E123-K127 VanDerWaalsContact O-CB 3.25Å; E123-K127 WeakPolarHBondContact O-CB 3.37Å; E123-K127 PolarHBondContact O-N 2.84Å; V124-K127 PolarHBondContact O-N 3.35Å; K127-M129 VanDerWaalsContact C-N 3.29Å; K127-M129 PolarHBondContact O-N 3.45Å; K127-E130 PolarHBondContact O-N 3.27Å; K127-E131 WeakPolarHBondContact CE-OE1 3.25Å; K127-E131 HydrophobicContact CG-CG 4.44Å; K127-E131 WeakPolarHBondContact O-CB 3.43Å; K127-E131 WeakPolarHBondContact O-CG 3.48Å; K127-E131 PolarHBondContact O-N 3.11Å |
| 128 | A | 98.3 | Very high | 98.4 | Very high | 57 Ų | 57 | 107 Ų | 107 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V124 L125 H126 N132 | V124-A128 WeakPolarHBondContact O-CB 3.47Å; V124-A128 PolarHBondContact O-N 2.92Å; L125-A128 PolarHBondContact O-N 3.37Å; H126-A128 VanDerWaalsContact C-N 3.34Å; H126-A128 PolarHBondContact O-N 3.35Å; A128-N132 WeakPolarHBondContact O-CB 3.48Å; A128-N132 PolarHBondContact O-N 3.12Å |
| 129 | M | 97.9 | Very high | 98.4 | Very high | 123 Ų | 123 | 102.3 Ų | 102.3 | 61% | 0.606 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.2 | -43.4 | 175.5 | -174 | 177.4 | 178.3 | 0 | 0 | 112 | L125 H126 K127 N132 N133 | L125-M129 PolarHBondContact O-N 2.91Å; L125-M129 VanDerWaalsContact O-N 3.12Å; H126-M129 WeakPolarHBondContact O-CB 3.38Å; H126-M129 PolarHBondContact O-N 3.18Å; H126-M129 VanDerWaalsContact O-N 3.11Å; K127-M129 VanDerWaalsContact C-N 3.29Å; K127-M129 PolarHBondContact O-N 3.45Å; M129-N132 PolarHBondContact O-N 3.43Å; M129-N133 WeakPolarHBondContact O-CB 3.45Å; M129-N133 PolarHBondContact O-N 2.89Å; M129-N133 PolarHBondContact O-ND2 3.5Å |
| 130 | E | 98.3 | Very high | 98.4 | Very high | 104 Ų | 104 | 102.6 Ų | 102.6 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 176.9 | -75.3 | -177.6 | 131.5 | 0 | 0 | 112.3 | H126 K127 N132 N133 N134 | H126-E130 IonicContact CE1-OE1 3.05Å; H126-E130 PolarHBondContact CE1-OE1 3.4Å; H126-E130 IonicContact CE1-OE2 3.08Å; H126-E130 PolarHBondContact CE1-OE2 3.41Å; H126-E130 IonicContact ND1-OE1 3.28Å; H126-E130 IonicContact ND1-OE2 3.53Å; H126-E130 PolarHBondContact ND1-OE2 3.43Å; H126-E130 VanDerWaalsContact ND1-OE2 3.08Å; H126-E130 WeakPolarHBondContact O-CG 3.48Å; H126-E130 PolarHBondContact O-N 3.08Å; K127-E130 PolarHBondContact O-N 3.27Å; E130-N132 VanDerWaalsContact C-N 3.33Å; E130-N132 PolarHBondContact O-N 3.49Å; E130-N133 PolarHBondContact O-N 2.85Å; E130-N134 VanDerWaalsContact O-CB 3.31Å; E130-N134 WeakPolarHBondContact O-CB 3.44Å; E130-N134 PolarHBondContact O-N 3.5Å |
| 131 | E | 98.4 | Very high | 98.4 | Very high | 113 Ų | 113 | 102.7 Ų | 102.7 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 177.9 | -74.4 | 179.3 | -179.3 | 0 | 0 | 111.4 | K127 N134 F135 | K127-E131 WeakPolarHBondContact CE-OE1 3.25Å; K127-E131 HydrophobicContact CG-CG 4.44Å; K127-E131 WeakPolarHBondContact O-CB 3.43Å; K127-E131 WeakPolarHBondContact O-CG 3.48Å; K127-E131 PolarHBondContact O-N 3.11Å; E131-N134 PolarHBondContact O-N 3.39Å; E131-F135 PolarHBondContact O-N 2.97Å |
| 132 | N | 98.1 | Very high | 98.4 | Very high | 97 Ų | 97 | 104.7 Ų | 104.7 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 175.7 | -177.5 | 62.7 | 0 | 0 | 0 | 112.6 | A128 M129 E130 N134 F135 S136 | A128-N132 WeakPolarHBondContact O-CB 3.48Å; A128-N132 PolarHBondContact O-N 3.12Å; M129-N132 PolarHBondContact O-N 3.43Å; E130-N132 VanDerWaalsContact C-N 3.33Å; E130-N132 PolarHBondContact O-N 3.49Å; N132-N134 VanDerWaalsContact C-N 3.35Å; N132-F135 PolarHBondContact O-N 3.48Å; N132-S136 PolarHBondContact O-N 3.29Å; N132-S136 VanDerWaalsContact O-N 3.12Å; N132-S136 PolarHBondContact O-OG 2.95Å; N132-S136 VanDerWaalsContact O-OG 3.07Å |
| 133 | N | 98.3 | Very high | 98.4 | Very high | 84 Ų | 84 | 102.3 Ų | 102.3 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 176 | -70.4 | -16.6 | 0 | 0 | 0 | 111.2 | M129 E130 F135 S136 K137 | M129-N133 WeakPolarHBondContact O-CB 3.45Å; M129-N133 PolarHBondContact O-N 2.89Å; M129-N133 PolarHBondContact O-ND2 3.5Å; E130-N133 PolarHBondContact O-N 2.85Å; N133-F135 PolarHBondContact O-N 2.82Å; N133-S136 PolarHBondContact O-N 3.12Å; N133-K137 WeakPolarHBondContact O-CB 3.31Å; N133-K137 PolarHBondContact O-N 2.96Å |
| 134 | N | 98.5 | Very high | 98.4 | Very high | 86 Ų | 86 | 101.6 Ų | 101.6 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 178.4 | -168.5 | 45.9 | 0 | 0 | 0 | 111.7 | E130 E131 N132 S136 K137 M138 | E130-N134 VanDerWaalsContact O-CB 3.31Å; E130-N134 WeakPolarHBondContact O-CB 3.44Å; E130-N134 PolarHBondContact O-N 3.5Å; E131-N134 PolarHBondContact O-N 3.39Å; N132-N134 VanDerWaalsContact C-N 3.35Å; N134-S136 VanDerWaalsContact C-N 3.35Å; N134-S136 PolarHBondContact O-N 3.42Å; N134-K137 PolarHBondContact O-N 2.9Å; N134-M138 WeakPolarHBondContact O-CB 3.22Å; N134-M138 WeakPolarHBondContact O-CG 3.39Å; N134-M138 PolarHBondContact O-N 3.38Å |
| 135 | F | 98.6 | Very high | 98.4 | Very high | 140 Ų | 140 | 101.9 Ų | 101.9 | 61% | 0.614 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -46.6 | 173.8 | 179.8 | -98.4 | 0 | 0 | 0 | 111.7 | E131 N132 N133 K137 M138 A139 | E131-F135 PolarHBondContact O-N 2.97Å; N132-F135 PolarHBondContact O-N 3.48Å; N133-F135 PolarHBondContact O-N 2.82Å; F135-K137 PolarHBondContact O-N 3.27Å; F135-M138 PolarHBondContact O-N 3.05Å; F135-A139 WeakPolarHBondContact O-CB 3.35Å; F135-A139 PolarHBondContact O-N 3.07Å |
| 136 | S | 98.3 | Very high | 98.4 | Very high | 63 Ų | 63 | 101.9 Ų | 101.9 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 178.2 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | N132 N133 N134 A139 E140 | N132-S136 PolarHBondContact O-N 3.29Å; N132-S136 VanDerWaalsContact O-N 3.12Å; N132-S136 PolarHBondContact O-OG 2.95Å; N132-S136 VanDerWaalsContact O-OG 3.07Å; N133-S136 PolarHBondContact O-N 3.12Å; N134-S136 VanDerWaalsContact C-N 3.35Å; N134-S136 PolarHBondContact O-N 3.42Å; S136-A139 PolarHBondContact O-N 2.99Å; S136-E140 WeakPolarHBondContact O-CB 3.48Å; S136-E140 PolarHBondContact O-N 3.32Å |
| 137 | K | 98.6 | Very high | 98.5 | Very high | 120 Ų | 120 | 101.6 Ų | 101.6 | 52% | 0.522 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 177.8 | -176.5 | 178 | 174.2 | -178.6 | 0 | 112.4 | N133 N134 F135 A139 E140 E141 | N133-K137 WeakPolarHBondContact O-CB 3.31Å; N133-K137 PolarHBondContact O-N 2.96Å; N134-K137 PolarHBondContact O-N 2.9Å; F135-K137 PolarHBondContact O-N 3.27Å; K137-A139 VanDerWaalsContact C-N 3.29Å; K137-A139 PolarHBondContact O-N 3.05Å; K137-E140 PolarHBondContact O-N 3.1Å; K137-E141 WeakPolarHBondContact CE-OE1 3.5Å; K137-E141 HydrophobicContact CG-CG 4.49Å; K137-E141 WeakPolarHBondContact O-CG 3.34Å; K137-E141 PolarHBondContact O-N 2.92Å |
| 138 | M | 98.5 | Very high | 98.5 | Very high | 96 Ų | 96 | 101.2 Ų | 101.2 | 47% | 0.473 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 177.9 | -73.3 | -171.5 | -65.9 | 0 | 0 | 112.1 | N134 F135 K142 | N134-M138 WeakPolarHBondContact O-CB 3.22Å; N134-M138 WeakPolarHBondContact O-CG 3.39Å; N134-M138 PolarHBondContact O-N 3.38Å; F135-M138 PolarHBondContact O-N 3.05Å; M138-K142 WeakPolarHBondContact O-CB 3.47Å; M138-K142 PolarHBondContact O-N 3.38Å |
| 139 | A | 98.6 | Very high | 98.5 | Very high | 50 Ų | 50 | 100.9 Ų | 100.9 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F135 S136 K137 L143 | F135-A139 WeakPolarHBondContact O-CB 3.35Å; F135-A139 PolarHBondContact O-N 3.07Å; S136-A139 PolarHBondContact O-N 2.99Å; K137-A139 VanDerWaalsContact C-N 3.29Å; K137-A139 PolarHBondContact O-N 3.05Å; A139-L143 WeakPolarHBondContact O-CB 3.5Å; A139-L143 PolarHBondContact O-N 2.98Å |
| 140 | E | 98.4 | Very high | 98.5 | Very high | 126 Ų | 126 | 102 Ų | 102 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.9 | -51.1 | 176.5 | -174.6 | -178.9 | 176 | 0 | 0 | 111.9 | S136 K137 K142 L143 N144 | S136-E140 WeakPolarHBondContact O-CB 3.48Å; S136-E140 PolarHBondContact O-N 3.32Å; K137-E140 PolarHBondContact O-N 3.1Å; E140-K142 VanDerWaalsContact C-N 3.28Å; E140-K142 PolarHBondContact O-N 3.25Å; E140-L143 WeakPolarHBondContact O-CB 3.37Å; E140-L143 PolarHBondContact O-N 2.95Å; E140-L143 VanDerWaalsContact O-N 3.1Å; E140-N144 PolarHBondContact O-N 3.35Å |
| 141 | E | 98.5 | Very high | 98.5 | Very high | 109 Ų | 109 | 102.2 Ų | 102.2 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 178.7 | -73.5 | 175.8 | 178.9 | 0 | 0 | 111.5 | K137 N144 S145 | K137-E141 WeakPolarHBondContact CE-OE1 3.5Å; K137-E141 HydrophobicContact CG-CG 4.49Å; K137-E141 WeakPolarHBondContact O-CG 3.34Å; K137-E141 PolarHBondContact O-N 2.92Å; E141-N144 PolarHBondContact O-N 3.32Å; E141-S145 WeakPolarHBondContact O-CB 3.38Å; E141-S145 PolarHBondContact O-N 3.49Å |
| 142 | K | 98.7 | Very high | 98.5 | Very high | 134 Ų | 134 | 99.3 Ų | 99.3 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.5 | -39.1 | 177.3 | -172.8 | 173.8 | -173.7 | 173.7 | 0 | 112.1 | M138 E140 K146 | M138-K142 WeakPolarHBondContact O-CB 3.47Å; M138-K142 PolarHBondContact O-N 3.38Å; E140-K142 VanDerWaalsContact C-N 3.28Å; E140-K142 PolarHBondContact O-N 3.25Å; K142-K146 WeakPolarHBondContact O-CG 2.96Å; K142-K146 PolarHBondContact O-N 2.92Å; K142-K146 VanDerWaalsContact O-N 3.12Å |
| 143 | L | 98.7 | Very high | 98.6 | Very high | 103 Ų | 103 | 100.1 Ų | 100.1 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -48.8 | 176 | 179.1 | 60.8 | 0 | 0 | 0 | 110.6 | A139 E140 S145 K146 M147 | A139-L143 WeakPolarHBondContact O-CB 3.5Å; A139-L143 PolarHBondContact O-N 2.98Å; E140-L143 WeakPolarHBondContact O-CB 3.37Å; E140-L143 PolarHBondContact O-N 2.95Å; E140-L143 VanDerWaalsContact O-N 3.1Å; L143-S145 PolarHBondContact O-N 2.96Å; L143-K146 PolarHBondContact O-N 3.15Å; L143-M147 HydrophobicContact CD1-CG 4.2Å; L143-M147 HydrophobicContact CG-CG 4.44Å; L143-M147 WeakPolarHBondContact O-CG 3.34Å; L143-M147 PolarHBondContact O-N 2.89Å |
| 144 | N | 98.5 | Very high | 98.6 | Very high | 91 Ų | 91 | 104.1 Ų | 104.1 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 178.9 | -79.2 | 8 | 0 | 0 | 0 | 111.5 | E140 E141 K146 M147 E148 | E140-N144 PolarHBondContact O-N 3.35Å; E141-N144 PolarHBondContact O-N 3.32Å; N144-K146 VanDerWaalsContact C-N 3.32Å; N144-K146 PolarHBondContact O-N 3.42Å; N144-M147 PolarHBondContact O-N 3.12Å; N144-M147 VanDerWaalsContact O-N 3.15Å; N144-E148 PolarHBondContact O-N 3.17Å |
| 145 | S | 98.6 | Very high | 98.6 | Very high | 82 Ų | 82 | 104.4 Ų | 104.4 | 57% | 0.573 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.9 | -44.1 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 112.3 | E141 L143 E148 A149 | E141-S145 WeakPolarHBondContact O-CB 3.38Å; E141-S145 PolarHBondContact O-N 3.49Å; L143-S145 PolarHBondContact O-N 2.96Å; S145-E148 PolarHBondContact O-N 3.43Å; S145-A149 WeakPolarHBondContact O-CB 3.38Å; S145-A149 PolarHBondContact O-N 2.91Å |
| 146 | K | 98.7 | Very high | 98.6 | Very high | 131 Ų | 131 | 100.6 Ų | 100.6 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.7 | -39.2 | 176.7 | -77.6 | -176.4 | 174.4 | -170.9 | 0 | 112.8 | K142 L143 N144 K150 | K142-K146 WeakPolarHBondContact O-CG 2.96Å; K142-K146 PolarHBondContact O-N 2.92Å; K142-K146 VanDerWaalsContact O-N 3.12Å; L143-K146 PolarHBondContact O-N 3.15Å; N144-K146 VanDerWaalsContact C-N 3.32Å; N144-K146 PolarHBondContact O-N 3.42Å; K146-K150 WeakPolarHBondContact O-CB 3.35Å; K146-K150 PolarHBondContact O-N 2.91Å |
| 147 | M | 98.8 | Very high | 98.6 | Very high | 104 Ų | 104 | 104.4 Ų | 104.4 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 178.8 | -71.7 | -58.3 | -67.3 | 0 | 0 | 111.3 | L143 N144 K150 K151 | L143-M147 HydrophobicContact CD1-CG 4.2Å; L143-M147 HydrophobicContact CG-CG 4.44Å; L143-M147 WeakPolarHBondContact O-CG 3.34Å; L143-M147 PolarHBondContact O-N 2.89Å; N144-M147 PolarHBondContact O-N 3.12Å; N144-M147 VanDerWaalsContact O-N 3.15Å; M147-K150 PolarHBondContact O-N 2.94Å; M147-K151 WeakPolarHBondContact O-CB 3.39Å; M147-K151 PolarHBondContact O-N 3.21Å |
| 148 | E | 98.6 | Very high | 98.6 | Very high | 113 Ų | 113 | 101.4 Ų | 101.4 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 175.5 | -71.4 | -53.5 | 129.9 | 0 | 0 | 112 | N144 S145 K150 K151 A152 | N144-E148 PolarHBondContact O-N 3.17Å; S145-E148 PolarHBondContact O-N 3.43Å; E148-K150 VanDerWaalsContact C-N 3.33Å; E148-K150 PolarHBondContact O-N 2.85Å; E148-K151 WeakPolarHBondContact O-CB 3.34Å; E148-K151 PolarHBondContact O-N 3.28Å; E148-A152 WeakPolarHBondContact O-CB 3.41Å; E148-A152 PolarHBondContact O-N 3.4Å |
| 149 | A | 98.6 | Very high | 98.6 | Very high | 49 Ų | 49 | 101 Ų | 101 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | S145 K151 A152 N153 | S145-A149 WeakPolarHBondContact O-CB 3.38Å; S145-A149 PolarHBondContact O-N 2.91Å; A149-K151 VanDerWaalsContact C-N 3.35Å; A149-K151 PolarHBondContact O-N 3.32Å; A149-A152 PolarHBondContact O-N 3.49Å; A149-N153 WeakPolarHBondContact O-CB 3.38Å; A149-N153 PolarHBondContact O-N 3.49Å; A149-N153 PolarHBondContact O-ND2 3.43Å |
| 150 | K | 98.6 | Very high | 98.6 | Very high | 148 Ų | 148 | 100.9 Ų | 100.9 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 176.7 | -175.1 | -178.1 | 178.2 | -178.7 | 0 | 111.5 | K146 M147 E148 R154 | K146-K150 WeakPolarHBondContact O-CB 3.35Å; K146-K150 PolarHBondContact O-N 2.91Å; M147-K150 PolarHBondContact O-N 2.94Å; E148-K150 VanDerWaalsContact C-N 3.33Å; E148-K150 PolarHBondContact O-N 2.85Å; K150-R154 WeakPolarHBondContact O-CB 3.5Å; K150-R154 PolarHBondContact O-N 2.97Å |
| 151 | K | 98.8 | Very high | 98.6 | Very high | 108 Ų | 108 | 98 Ų | 98 | 47% | 0.47 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -51.3 | 177.5 | -177.1 | -176.9 | 173.6 | -168.4 | 0 | 111 | M147 E148 A149 N153 R154 E155 | M147-K151 WeakPolarHBondContact O-CB 3.39Å; M147-K151 PolarHBondContact O-N 3.21Å; E148-K151 WeakPolarHBondContact O-CB 3.34Å; E148-K151 PolarHBondContact O-N 3.28Å; A149-K151 VanDerWaalsContact C-N 3.35Å; A149-K151 PolarHBondContact O-N 3.32Å; K151-N153 VanDerWaalsContact C-N 3.35Å; K151-N153 PolarHBondContact O-N 3.42Å; K151-R154 WeakPolarHBondContact O-CB 3.42Å; K151-R154 PolarHBondContact O-N 2.85Å; K151-R154 VanDerWaalsContact O-N 3.15Å; K151-E155 VanDerWaalsContact CE-OE1 3.22Å; K151-E155 WeakPolarHBondContact CE-OE1 3.5Å; K151-E155 WeakPolarHBondContact CG-OE1 3.32Å; K151-E155 WeakPolarHBondContact O-CG 3.35Å; K151-E155 PolarHBondContact O-N 3Å |
| 152 | A | 98.6 | Very high | 98.6 | Very high | 52 Ų | 52 | 98.7 Ų | 98.7 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | E148 A149 R154 E155 A156 | E148-A152 WeakPolarHBondContact O-CB 3.41Å; E148-A152 PolarHBondContact O-N 3.4Å; A149-A152 PolarHBondContact O-N 3.49Å; A152-R154 VanDerWaalsContact C-N 3.34Å; A152-R154 PolarHBondContact O-N 3.43Å; A152-E155 PolarHBondContact O-N 2.9Å; A152-A156 WeakPolarHBondContact O-CB 3.48Å; A152-A156 PolarHBondContact O-N 3.4Å |
| 153 | N | 98.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 97.3 Ų | 97.3 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.8 | -41.8 | 176.5 | -75.1 | -20.9 | 0 | 0 | 0 | 112.2 | A149 K151 Y157 | A149-N153 WeakPolarHBondContact O-CB 3.38Å; A149-N153 PolarHBondContact O-N 3.49Å; A149-N153 PolarHBondContact O-ND2 3.43Å; K151-N153 VanDerWaalsContact C-N 3.35Å; K151-N153 PolarHBondContact O-N 3.42Å; N153-Y157 WeakPolarHBondContact O-CB 3.22Å; N153-Y157 PolarHBondContact O-N 3.29Å |
| 154 | R | 98.6 | Very high | 98.6 | Very high | 167 Ų | 167 | 98.4 Ų | 98.4 | 63% | 0.63 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -43.5 | 176.9 | -176.4 | 176.8 | 179.1 | -82 | 0.1 | 111.4 | K150 K151 A152 Y157 L158 | K150-R154 WeakPolarHBondContact O-CB 3.5Å; K150-R154 PolarHBondContact O-N 2.97Å; K151-R154 WeakPolarHBondContact O-CB 3.42Å; K151-R154 PolarHBondContact O-N 2.85Å; K151-R154 VanDerWaalsContact O-N 3.15Å; A152-R154 VanDerWaalsContact C-N 3.34Å; A152-R154 PolarHBondContact O-N 3.43Å; R154-Y157 PolarHBondContact O-N 3.03Å; R154-L158 HydrophobicContact CG-CD1 4.28Å; R154-L158 WeakPolarHBondContact O-CG 3.42Å; R154-L158 PolarHBondContact O-N 3.05Å |
| 155 | E | 98.6 | Very high | 98.5 | Very high | 93 Ų | 93 | 98.5 Ų | 98.5 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 177.2 | -73.7 | 175.3 | -169.6 | 0 | 0 | 111.5 | K151 A152 Y157 L158 N159 | K151-E155 VanDerWaalsContact CE-OE1 3.22Å; K151-E155 WeakPolarHBondContact CE-OE1 3.5Å; K151-E155 WeakPolarHBondContact CG-OE1 3.32Å; K151-E155 WeakPolarHBondContact O-CG 3.35Å; K151-E155 PolarHBondContact O-N 3Å; A152-E155 PolarHBondContact O-N 2.9Å; E155-Y157 VanDerWaalsContact C-N 3.34Å; E155-Y157 PolarHBondContact O-N 2.9Å; E155-L158 PolarHBondContact O-N 3.15Å; E155-N159 VanDerWaalsContact O-CB 3.3Å; E155-N159 WeakPolarHBondContact O-CB 3.3Å; E155-N159 PolarHBondContact O-N 3.47Å; E155-N159 PolarHBondContact O-ND2 2.87Å |
| 156 | A | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 101.8 Ų | 101.8 | 49% | 0.488 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A152 N159 S160 | A152-A156 WeakPolarHBondContact O-CB 3.48Å; A152-A156 PolarHBondContact O-N 3.4Å; A156-N159 PolarHBondContact O-N 3.06Å; A156-S160 PolarHBondContact O-N 3.28Å |
| 157 | Y | 98.6 | Very high | 98.5 | Very high | 143 Ų | 143 | 100.4 Ų | 100.4 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.1 | -50.6 | 176.4 | 176.1 | -104.1 | 0 | 0 | 0 | 111.9 | N153 R154 E155 N159 S160 L161 | N153-Y157 WeakPolarHBondContact O-CB 3.22Å; N153-Y157 PolarHBondContact O-N 3.29Å; R154-Y157 PolarHBondContact O-N 3.03Å; E155-Y157 VanDerWaalsContact C-N 3.34Å; E155-Y157 PolarHBondContact O-N 2.9Å; Y157-N159 VanDerWaalsContact C-N 3.33Å; Y157-N159 PolarHBondContact O-N 3.4Å; Y157-S160 PolarHBondContact O-N 2.9Å; Y157-S160 PolarHBondContact O-OG 2.83Å; Y157-L161 PolarHBondContact O-N 3.32Å |
| 158 | L | 98.6 | Very high | 98.4 | Very high | 58 Ų | 58 | 102.7 Ų | 102.7 | 30% | 0.304 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 178.8 | -70.4 | 175.3 | 0 | 0 | 0 | 111.9 | R154 E155 L161 K162 | R154-L158 HydrophobicContact CG-CD1 4.28Å; R154-L158 WeakPolarHBondContact O-CG 3.42Å; R154-L158 PolarHBondContact O-N 3.05Å; E155-L158 PolarHBondContact O-N 3.15Å; L158-L161 PolarHBondContact O-N 3.3Å; L158-K162 WeakPolarHBondContact O-CG 3.44Å; L158-K162 PolarHBondContact O-N 3.26Å |
| 159 | N | 98.6 | Very high | 98.4 | Very high | 88 Ų | 88 | 103.6 Ų | 103.6 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 177.3 | -72.7 | -19.4 | 0 | 0 | 0 | 111.6 | E155 A156 Y157 L161 K162 Q163 | E155-N159 VanDerWaalsContact O-CB 3.3Å; E155-N159 WeakPolarHBondContact O-CB 3.3Å; E155-N159 PolarHBondContact O-N 3.47Å; E155-N159 PolarHBondContact O-ND2 2.87Å; A156-N159 PolarHBondContact O-N 3.06Å; Y157-N159 VanDerWaalsContact C-N 3.33Å; Y157-N159 PolarHBondContact O-N 3.4Å; N159-L161 VanDerWaalsContact C-N 3.29Å; N159-L161 PolarHBondContact O-N 2.92Å; N159-K162 PolarHBondContact O-N 3.26Å; N159-Q163 WeakPolarHBondContact O-CB 3.43Å; N159-Q163 PolarHBondContact O-N 3.44Å |
| 160 | S | 98.4 | Very high | 98.4 | Very high | 47 Ų | 47 | 107.8 Ų | 107.8 | 33% | 0.329 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 174 | 88.6 | 0 | 0 | 0 | 0 | 112 | A156 Y157 Q163 R164 | A156-S160 PolarHBondContact O-N 3.28Å; Y157-S160 PolarHBondContact O-N 2.9Å; Y157-S160 PolarHBondContact O-OG 2.83Å; S160-Q163 PolarHBondContact O-N 3.45Å; S160-R164 WeakPolarHBondContact O-CG 3.4Å; S160-R164 PolarHBondContact O-N 3.35Å |
| 161 | L | 98.4 | Very high | 98.3 | Very high | 66 Ų | 66 | 106.3 Ų | 106.3 | 35% | 0.346 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.1 | -46.9 | 178 | -176.2 | 62.3 | 0 | 0 | 0 | 110.6 | Y157 L158 N159 Q163 R164 L165 | Y157-L161 PolarHBondContact O-N 3.32Å; L158-L161 PolarHBondContact O-N 3.3Å; N159-L161 VanDerWaalsContact C-N 3.29Å; N159-L161 PolarHBondContact O-N 2.92Å; L161-Q163 VanDerWaalsContact C-N 3.29Å; L161-Q163 PolarHBondContact O-N 3.02Å; L161-R164 PolarHBondContact O-N 2.9Å; L161-L165 HydrophobicContact CG-CD1 4.5Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 3Å |
| 162 | K | 98.4 | Very high | 98.3 | Very high | 123 Ų | 123 | 102.9 Ų | 102.9 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -39.4 | 175 | -72.3 | 175.4 | -179.1 | 179.6 | 0 | 112 | L158 N159 L165 R166 | L158-K162 WeakPolarHBondContact O-CG 3.44Å; L158-K162 PolarHBondContact O-N 3.26Å; N159-K162 PolarHBondContact O-N 3.26Å; K162-L165 PolarHBondContact O-N 3.39Å; K162-R166 WeakPolarHBondContact O-CG 3.36Å; K162-R166 PolarHBondContact O-N 3.24Å |
| 163 | Q | 98.3 | Very high | 98.2 | Very high | 104 Ų | 104 | 102.2 Ų | 102.2 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -50.1 | 177.1 | -179.6 | 175.8 | -14.4 | 0 | 0 | 111.6 | N159 S160 L161 L165 R166 E167 | N159-Q163 WeakPolarHBondContact O-CB 3.43Å; N159-Q163 PolarHBondContact O-N 3.44Å; S160-Q163 PolarHBondContact O-N 3.45Å; L161-Q163 VanDerWaalsContact C-N 3.29Å; L161-Q163 PolarHBondContact O-N 3.02Å; Q163-L165 PolarHBondContact O-N 2.86Å; Q163-R166 PolarHBondContact O-N 3.06Å; Q163-R166 VanDerWaalsContact O-N 3.09Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.44Å; Q163-E167 PolarHBondContact NE2-OE1 3.49Å; Q163-E167 WeakPolarHBondContact O-CG 3.38Å; Q163-E167 PolarHBondContact O-N 3.33Å |
| 164 | R | 98.2 | Very high | 98.2 | Very high | 127 Ų | 127 | 101.7 Ų | 101.7 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.4 | -34.8 | 176.9 | -73.6 | -175.9 | -69.6 | 166.8 | -3.4 | 112.9 | S160 L161 K168 | S160-R164 WeakPolarHBondContact O-CG 3.4Å; S160-R164 PolarHBondContact O-N 3.35Å; L161-R164 PolarHBondContact O-N 2.9Å; R164-K168 WeakPolarHBondContact O-CG 3.44Å; R164-K168 PolarHBondContact O-N 3.09Å |
| 165 | L | 98.3 | Very high | 98.1 | Very high | 92 Ų | 92 | 97.3 Ų | 97.3 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.8 | -46.1 | 174.8 | -69.8 | 173.4 | 0 | 0 | 0 | 111.7 | L161 K162 Q163 E167 K168 E169 | L161-L165 HydrophobicContact CG-CD1 4.5Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 3Å; K162-L165 PolarHBondContact O-N 3.39Å; Q163-L165 PolarHBondContact O-N 2.86Å; L165-E167 VanDerWaalsContact C-N 3.32Å; L165-E167 PolarHBondContact O-N 3.02Å; L165-K168 WeakPolarHBondContact O-CB 3.42Å; L165-K168 PolarHBondContact O-N 3.13Å; L165-K168 VanDerWaalsContact O-N 3.13Å; L165-E169 PolarHBondContact O-N 3.4Å |
| 166 | R | 97.8 | Very high | 98 | Very high | 151 Ų | 151 | 99.9 Ų | 99.9 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.6 | -40.5 | 175.4 | -74.7 | -174.6 | -70.7 | -174.4 | 1.4 | 112.4 | K162 Q163 K168 E169 M170 | K162-R166 WeakPolarHBondContact O-CG 3.36Å; K162-R166 PolarHBondContact O-N 3.24Å; Q163-R166 PolarHBondContact O-N 3.06Å; Q163-R166 VanDerWaalsContact O-N 3.09Å; R166-K168 VanDerWaalsContact C-N 3.32Å; R166-K168 PolarHBondContact O-N 3.43Å; R166-E169 PolarHBondContact O-N 2.91Å; R166-M170 WeakPolarHBondContact O-CG 3.39Å; R166-M170 PolarHBondContact O-N 3.35Å |
| 167 | E | 98 | Very high | 97.9 | Very high | 103 Ų | 103 | 104.6 Ų | 104.6 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 175.2 | -73.4 | 166.8 | -173.6 | 0 | 0 | 111.6 | Q163 L165 M170 H171 | Q163-E167 WeakPolarHBondContact CG-OE1 3.44Å; Q163-E167 PolarHBondContact NE2-OE1 3.49Å; Q163-E167 WeakPolarHBondContact O-CG 3.38Å; Q163-E167 PolarHBondContact O-N 3.33Å; L165-E167 VanDerWaalsContact C-N 3.32Å; L165-E167 PolarHBondContact O-N 3.02Å; E167-M170 PolarHBondContact O-N 3.21Å; E167-H171 WeakPolarHBondContact O-CB 3.33Å; E167-H171 PolarHBondContact O-N 2.96Å |
| 168 | K | 98.1 | Very high | 97.7 | Very high | 152 Ų | 152 | 101.5 Ų | 101.5 | 66% | 0.661 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 174.6 | -71.9 | -178.9 | 177.2 | -171.8 | 0 | 112.8 | R164 L165 R166 H171 A172 | R164-K168 WeakPolarHBondContact O-CG 3.44Å; R164-K168 PolarHBondContact O-N 3.09Å; L165-K168 WeakPolarHBondContact O-CB 3.42Å; L165-K168 PolarHBondContact O-N 3.13Å; L165-K168 VanDerWaalsContact O-N 3.13Å; R166-K168 VanDerWaalsContact C-N 3.32Å; R166-K168 PolarHBondContact O-N 3.43Å; K168-H171 PolarHBondContact O-N 2.97Å; K168-A172 WeakPolarHBondContact O-CB 3.42Å; K168-A172 PolarHBondContact O-N 3.47Å |
| 169 | E | 97.9 | Very high | 97.6 | Very high | 131 Ų | 131 | 106.5 Ų | 106.5 | 61% | 0.612 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.6 | -44.8 | 176.7 | -71.3 | 173.1 | 170.4 | 0 | 0 | 111.8 | L165 R166 A172 A173 | L165-E169 PolarHBondContact O-N 3.4Å; R166-E169 PolarHBondContact O-N 2.91Å; E169-A172 PolarHBondContact O-N 3.23Å; E169-A173 PolarHBondContact O-N 3.45Å |
| 170 | M | 97.9 | Very high | 97.3 | Very high | 138 Ų | 138 | 108.1 Ų | 108.1 | 68% | 0.68 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -47 | 175.6 | -72.6 | -61 | -59.4 | 0 | 0 | 111.3 | R166 E167 A172 A173 E174 | R166-M170 WeakPolarHBondContact O-CG 3.39Å; R166-M170 PolarHBondContact O-N 3.35Å; E167-M170 PolarHBondContact O-N 3.21Å; M170-A172 PolarHBondContact O-N 3.38Å; M170-A173 PolarHBondContact O-N 3.3Å; M170-E174 PolarHBondContact O-N 2.91Å |
| 171 | H | 97.8 | Very high | 97 | Very high | 116 Ų | 116 | 110.2 Ų | 110.2 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 176.6 | -178.2 | 63.1 | 0 | 0 | 0 | 111.9 | E167 K168 A173 E174 V175 | E167-H171 WeakPolarHBondContact O-CB 3.33Å; E167-H171 PolarHBondContact O-N 2.96Å; K168-H171 PolarHBondContact O-N 2.97Å; H171-A173 VanDerWaalsContact C-N 3.3Å; H171-A173 PolarHBondContact O-N 3.18Å; H171-E174 PolarHBondContact O-N 3.34Å; H171-V175 WeakPolarHBondContact O-CG2 3.45Å; H171-V175 PolarHBondContact O-N 2.93Å |
| 172 | A | 97.9 | Very high | 96.6 | Very high | 37 Ų | 37 | 113.6 Ų | 113.6 | 31% | 0.306 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | K168 E169 M170 R176 | K168-A172 WeakPolarHBondContact O-CB 3.42Å; K168-A172 PolarHBondContact O-N 3.47Å; E169-A172 PolarHBondContact O-N 3.23Å; M170-A172 PolarHBondContact O-N 3.38Å; A172-R176 WeakPolarHBondContact O-CG 3.34Å; A172-R176 PolarHBondContact O-N 3.21Å; A172-R176 PolarHBondContact O-NH1 2.98Å |
| 173 | A | 97.1 | Very high | 96.1 | Very high | 38 Ų | 38 | 110.8 Ų | 110.8 | 31% | 0.314 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E169 M170 H171 R176 R177 | E169-A173 PolarHBondContact O-N 3.45Å; M170-A173 PolarHBondContact O-N 3.3Å; H171-A173 VanDerWaalsContact C-N 3.3Å; H171-A173 PolarHBondContact O-N 3.18Å; A173-R176 PolarHBondContact O-N 3.39Å; A173-R177 PolarHBondContact O-N 3.45Å |
| 174 | E | 97.2 | Very high | 95.3 | Very high | 102 Ų | 102 | 111.7 Ų | 111.7 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 175.3 | -177.4 | 170.6 | -157.4 | 0 | 0 | 111.9 | M170 H171 R176 R177 N178 | M170-E174 PolarHBondContact O-N 2.91Å; H171-E174 PolarHBondContact O-N 3.34Å; E174-R176 VanDerWaalsContact C-N 3.3Å; E174-R176 PolarHBondContact O-N 3.21Å; E174-R177 PolarHBondContact O-N 3.49Å; E174-N178 WeakPolarHBondContact O-CB 3.47Å; E174-N178 VanDerWaalsContact O-CG 3.28Å; E174-N178 PolarHBondContact O-N 2.87Å |
| 175 | V | 97.4 | Very high | 94.3 | Very high | 76 Ų | 76 | 112.7 Ų | 112.7 | 46% | 0.461 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59 | -40.9 | 175 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | H171 N178 K179 | H171-V175 WeakPolarHBondContact O-CG2 3.45Å; H171-V175 PolarHBondContact O-N 2.93Å; V175-N178 PolarHBondContact O-N 3.22Å; V175-K179 PolarHBondContact O-N 3.11Å; V175-K179 VanDerWaalsContact O-N 3.09Å |
| 176 | R | 96.5 | Very high | 93.1 | Very high | 147 Ų | 147 | 113.3 Ų | 113.3 | 56% | 0.555 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.6 | -47.7 | 175.2 | -73.8 | -172 | -64.3 | -87.7 | 4.4 | 112 | A172 A173 E174 N178 K179 E180 | A172-R176 WeakPolarHBondContact O-CG 3.34Å; A172-R176 PolarHBondContact O-N 3.21Å; A172-R176 PolarHBondContact O-NH1 2.98Å; A173-R176 PolarHBondContact O-N 3.39Å; E174-R176 VanDerWaalsContact C-N 3.3Å; E174-R176 PolarHBondContact O-N 3.21Å; R176-N178 PolarHBondContact O-N 3.03Å; R176-K179 WeakPolarHBondContact O-CB 3.42Å; R176-K179 PolarHBondContact O-N 3.37Å; R176-E180 PolarHBondContact O-N 3.09Å; R176-E180 VanDerWaalsContact O-N 3.11Å |
| 177 | R | 95.9 | Very high | 91 | Very high | 158 Ų | 158 | 112 Ų | 112 | 60% | 0.596 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.7 | -43.3 | 177.4 | -173.8 | -170.9 | -68.3 | 148.6 | -3.7 | 112 | A173 E174 K179 E180 L181 | A173-R177 PolarHBondContact O-N 3.45Å; E174-R177 PolarHBondContact O-N 3.49Å; R177-K179 VanDerWaalsContact C-N 3.27Å; R177-K179 PolarHBondContact O-N 3.28Å; R177-E180 WeakPolarHBondContact O-CB 3.4Å; R177-E180 PolarHBondContact O-N 3.04Å; R177-L181 HydrophobicContact CG-CD1 4.23Å; R177-L181 WeakPolarHBondContact O-CG 3.43Å; R177-L181 PolarHBondContact O-N 3.47Å |
| 178 | N | 95.3 | Very high | 90.7 | Very high | 77 Ų | 77 | 112.5 Ų | 112.5 | 41% | 0.412 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.6 | -35.7 | 178.8 | -71.8 | -13 | 0 | 0 | 0 | 111.9 | E174 V175 R176 Q182 | E174-N178 WeakPolarHBondContact O-CB 3.47Å; E174-N178 VanDerWaalsContact O-CG 3.28Å; E174-N178 PolarHBondContact O-N 2.87Å; V175-N178 PolarHBondContact O-N 3.22Å; R176-N178 PolarHBondContact O-N 3.03Å; N178-Q182 PolarHBondContact O-N 3.1Å |
| 179 | K | 95.8 | Very high | 90.3 | Very high | 163 Ų | 163 | 110.4 Ų | 110.4 | 71% | 0.709 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.8 | -43.2 | 174.1 | -174.5 | -178.3 | 178.4 | -176.4 | 0 | 111.9 | V175 R176 R177 Q182 A183 | V175-K179 PolarHBondContact O-N 3.11Å; V175-K179 VanDerWaalsContact O-N 3.09Å; R176-K179 WeakPolarHBondContact O-CB 3.42Å; R176-K179 PolarHBondContact O-N 3.37Å; R177-K179 VanDerWaalsContact C-N 3.27Å; R177-K179 PolarHBondContact O-N 3.28Å; K179-Q182 PolarHBondContact O-N 2.98Å; K179-A183 PolarHBondContact O-N 2.69Å; K179-A183 VanDerWaalsContact O-N 3.1Å |
| 180 | E | 93.4 | Very high | 89.9 | Confident | 123 Ų | 123 | 109.2 Ų | 109.2 | 58% | 0.575 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.4 | -49.8 | 175.8 | -69.2 | 163.7 | -172.2 | 0 | 0 | 110.7 | R176 R177 Q182 A183 D184 | R176-E180 PolarHBondContact O-N 3.09Å; R176-E180 VanDerWaalsContact O-N 3.11Å; R177-E180 WeakPolarHBondContact O-CB 3.4Å; R177-E180 PolarHBondContact O-N 3.04Å; E180-Q182 VanDerWaalsContact C-N 3.35Å; E180-Q182 PolarHBondContact O-N 3.03Å; E180-A183 WeakPolarHBondContact O-CB 3.5Å; E180-A183 PolarHBondContact O-N 3.19Å; E180-A183 VanDerWaalsContact O-N 3.1Å; E180-D184 PolarHBondContact O-N 3.34Å |
| 181 | L | 91.9 | Very high | 89.4 | Confident | 90 Ų | 90 | 107.5 Ų | 107.5 | 47% | 0.471 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.3 | -39 | 178.5 | -69.4 | 171 | 0 | 0 | 0 | 113.5 | R177 D184 L185 | R177-L181 HydrophobicContact CG-CD1 4.23Å; R177-L181 WeakPolarHBondContact O-CG 3.43Å; R177-L181 PolarHBondContact O-N 3.47Å; L181-D184 PolarHBondContact O-N 3.1Å; L181-L185 WeakPolarHBondContact O-CG 3.37Å; L181-L185 PolarHBondContact O-N 3.32Å; L181-L185 VanDerWaalsContact O-N 3.15Å |
| 182 | Q | 89.8 | Confident | 88.9 | Confident | 138 Ų | 138 | 107 Ų | 107 | 65% | 0.645 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.1 | -36.5 | 175.6 | -79.2 | -164.4 | 6.7 | 0 | 0 | 112.6 | N178 K179 E180 D184 L185 S186 | N178-Q182 PolarHBondContact O-N 3.1Å; K179-Q182 PolarHBondContact O-N 2.98Å; E180-Q182 VanDerWaalsContact C-N 3.35Å; E180-Q182 PolarHBondContact O-N 3.03Å; Q182-D184 VanDerWaalsContact C-N 3.33Å; Q182-L185 PolarHBondContact O-N 3.22Å; Q182-S186 WeakPolarHBondContact O-CB 3.34Å; Q182-S186 PolarHBondContact O-N 3.15Å; Q182-S186 PolarHBondContact O-OG 3.47Å |
| 183 | A | 86.4 | Confident | 88.3 | Confident | 64 Ų | 64 | 111.7 Ų | 111.7 | 53% | 0.529 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.5 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | K179 E180 L185 S186 G187 | K179-A183 PolarHBondContact O-N 2.69Å; K179-A183 VanDerWaalsContact O-N 3.1Å; E180-A183 WeakPolarHBondContact O-CB 3.5Å; E180-A183 PolarHBondContact O-N 3.19Å; E180-A183 VanDerWaalsContact O-N 3.1Å; A183-L185 VanDerWaalsContact C-N 3.33Å; A183-L185 PolarHBondContact O-N 3.42Å; A183-S186 PolarHBondContact O-N 3.43Å; A183-G187 PolarHBondContact O-N 3.36Å |
| 184 | D | 81.6 | Confident | 87.6 | Confident | 122 Ų | 122 | 116.9 Ų | 116.9 | 65% | 0.652 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.8 | -30.6 | 178.7 | -65.2 | -19 | 0 | 0 | 0 | 113.3 | E180 L181 Q182 | E180-D184 PolarHBondContact O-N 3.34Å; L181-D184 PolarHBondContact O-N 3.1Å; Q182-D184 VanDerWaalsContact C-N 3.33Å |
| 185 | L | 78.4 | Confident | 86.9 | Confident | 148 Ų | 148 | 118.1 Ų | 118.1 | 78% | 0.775 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -82.4 | -18.3 | 177.9 | -72.9 | 169.8 | 0 | 0 | 0 | 113.9 | L181 Q182 A183 | L181-L185 WeakPolarHBondContact O-CG 3.37Å; L181-L185 PolarHBondContact O-N 3.32Å; L181-L185 VanDerWaalsContact O-N 3.15Å; Q182-L185 PolarHBondContact O-N 3.22Å; A183-L185 VanDerWaalsContact C-N 3.33Å; A183-L185 PolarHBondContact O-N 3.42Å |
| 186 | S | 73.8 | Confident | 86 | Confident | 105 Ų | 105 | 121.6 Ų | 121.6 | 73% | 0.734 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -104.5 | -2.4 | -173.8 | -48.4 | 0 | 0 | 0 | 0 | 113.6 | Q182 A183 | Q182-S186 WeakPolarHBondContact O-CB 3.34Å; Q182-S186 PolarHBondContact O-N 3.15Å; Q182-S186 PolarHBondContact O-OG 3.47Å; A183-S186 PolarHBondContact O-N 3.43Å |
| 187 | G | 53.6 | Low | 85.1 | Confident | 124 Ų | 124 | 119.3 Ų | 119.3 | 100% | 1.278 | 67% | 0.671 | S | S | * | * | trans | -105 | 0 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A183 | A183-G187 PolarHBondContact O-N 3.36Š|
Retrieved 187 of 187 residues in 196.5 ms
(Link to these results)