| 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 | 36.7 | Very low | 46.9 | Very low | 244 Ų | 244 | 132.1 Ų | 132.1 | 100% | 1.202 | 67% | 0.669 | S | S | * | * | 0 | 103.3 | 0 | -74.6 | 150.4 | 150.5 | 0 | 0 | 108.5 | |||||
| 2 | K | 34.3 | Very low | 48.5 | Very low | 213 Ų | 213 | 132.6 Ų | 132.6 | 93% | 0.926 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 116 | -178.9 | -79.6 | 178.3 | 176.4 | 176.1 | 0 | 109.4 | ||
| 3 | C | 37.4 | Very low | 49.7 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 87% | 0.865 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 132.8 | 176.8 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | E5 | C3-E5 PolarHBondContact O-N 3.29Š|
| 4 | Q | 35.5 | Very low | 51 | Low | 178 Ų | 178 | 127.6 Ų | 127.6 | 83% | 0.832 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 123.8 | 176.8 | -73.1 | -172.4 | 30.6 | 0 | 0 | 111.5 | N6 | Q4-N6 PolarHBondContact O-N 3.2Š|
| 5 | E | 41.5 | Very low | 52 | Low | 173 Ų | 173 | 121.3 Ų | 121.3 | 81% | 0.808 | 60% | 0.6 | S | S | * | * | trans | -69.1 | 95.8 | 166.1 | -167.2 | 178.5 | 151.1 | 0 | 0 | 109 | C3 T7 | C3-E5 PolarHBondContact O-N 3.29Å; E5-T7 PolarHBondContact O-N 3.04Å; E5-T7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | N | 46.3 | Very low | 52.9 | Low | 112 Ų | 112 | 121.6 Ų | 121.6 | 60% | 0.599 | 61% | 0.605 | S | S | * | * | trans | -84.8 | 80.6 | -177.3 | -148 | -21.3 | 0 | 0 | 0 | 109.5 | Q4 K8 | Q4-N6 PolarHBondContact O-N 3.2Å; N6-K8 PolarHBondContact O-N 3.17Å | ||
| 7 | T | 51.2 | Low | 53.5 | Low | 112 Ų | 112 | 116.1 Ų | 116.1 | 69% | 0.687 | 58% | 0.583 | S | S | * | * | trans | -66.9 | 122.1 | 179.3 | 10.3 | 0 | 0 | 0 | 0 | 110.8 | E5 | E5-T7 PolarHBondContact O-N 3.04Å; E5-T7 VanDerWaalsContact O-N 3.09Å | ||
| 8 | K | 56.2 | Low | 53.7 | Low | 53 Ų | 53 | 116.2 Ų | 116.2 | 23% | 0.23 | 59% | 0.591 | C | S | . | * | trans | -72.7 | 148.2 | -170.6 | -49.7 | 162.1 | -176.2 | 168.3 | 0 | 111.7 | N6 K10 P32 M34 | N6-K8 PolarHBondContact O-N 3.17Å; K8-K10 PolarHBondContact O-N 3.29Å; K8-P32 HydrophobicContact CG-CB 4.28Å; K8-P32 HydrophobicContact CG-CG 4.12Å; K8-M34 HydrophobicContact CD-CB 4.38Å; K8-M34 WeakPolarHBondContact CD-O 3.32Å; K8-M34 VanDerWaalsContact CE-C 3.42Å; K8-M34 VanDerWaalsContact CE-CB 3.4Å; K8-M34 VanDerWaalsContact CE-CG 3.48Å; K8-M34 WeakPolarHBondContact CE-O 3.29Å; K8-M34 WeakPolarHBondContact CG-O 3.49Å; K8-M34 PolarHBondContact NZ-SD 2.89Å | ||
| 9 | P | 55 | Low | 54.4 | Low | 60 Ų | 60 | 120.7 Ų | 120.7 | 39% | 0.39 | 60% | 0.6 | S | S | . | * | trans | -68.9 | 105.9 | 167.4 | 28.6 | -32.1 | 0 | 0 | 0 | 109.5 | I11 | P9-I11 HydrophobicContact CB-CD1 4.22Å; P9-I11 HydrophobicContact CB-CG1 4.45Å; P9-I11 PolarHBondContact O-N 3.09Å | ||
| 10 | K | 61.1 | Low | 55.2 | Low | 130 Ų | 130 | 121.6 Ų | 121.6 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | trans | -84.1 | 105.4 | 163.2 | -71.2 | -177.4 | -178.9 | 174.9 | 0 | 107.5 | K8 Y12 | K8-K10 PolarHBondContact O-N 3.29Å; K10-Y12 HydrophobicContact CB-CD2 4.34Å; K10-Y12 HydrophobicContact CB-CE2 3.79Å; K10-Y12 HydrophobicContact CD-CE2 4.27Å | ||
| 11 | I | 60.5 | Low | 55.9 | Low | 50 Ų | 50 | 120.6 Ų | 120.6 | 26% | 0.256 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 115.4 | 177.6 | -71.9 | 163.8 | 0 | 0 | 0 | 108 | P9 I13 L26 Q28 S38 | P9-I11 HydrophobicContact CB-CD1 4.22Å; P9-I11 HydrophobicContact CB-CG1 4.45Å; P9-I11 PolarHBondContact O-N 3.09Å; I11-I13 HydrophobicContact CG2-CD1 3.92Å; I11-I13 HydrophobicContact CG2-CG1 3.54Å; I11-L26 HydrophobicContact CG2-CD1 4.08Å; I11-Q28 VanDerWaalsContact CD1-CD 3.48Å; I11-S38 PolarHBondContact O-N 2.87Å |
| 12 | Y | 66.8 | Low | 57.8 | Low | 138 Ų | 138 | 109.4 Ų | 109.4 | 54% | 0.541 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 111.9 | 169.5 | -64.3 | -86.9 | 0 | 0 | 0 | 106.9 | K10 S38 | K10-Y12 HydrophobicContact CB-CD2 4.34Å; K10-Y12 HydrophobicContact CB-CE2 3.79Å; K10-Y12 HydrophobicContact CD-CE2 4.27Å; Y12-S38 WeakPolarHBondContact CA-O 2.91Å |
| 13 | I | 63.5 | Low | 59.7 | Low | 62 Ų | 62 | 105.5 Ų | 105.5 | 32% | 0.318 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.4 | 173.1 | -52.3 | -161.3 | 0 | 0 | 0 | 108.1 | I11 T15 L26 L39 Q40 | I11-I13 HydrophobicContact CG2-CD1 3.92Å; I11-I13 HydrophobicContact CG2-CG1 3.54Å; I13-T15 HydrophobicContact CG2-CG2 3.98Å; I13-L26 HydrophobicContact CD1-CD1 3.4Å; I13-L26 HydrophobicContact CD1-CG 4.12Å; I13-L26 HydrophobicContact CG1-CD1 3.87Å; I13-L39 HydrophobicContact CB-CD1 4.38Å; I13-Q40 PolarHBondContact O-N 3.43Å |
| 14 | F | 68 | Low | 61.4 | Low | 134 Ų | 134 | 100.8 Ų | 100.8 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.8 | 170.5 | -60.6 | -83.6 | 0 | 0 | 0 | 108.3 | Q40 | F14-Q40 WeakPolarHBondContact CA-O 3.04Å; F14-Q40 HydrophobicContact CD1-CB 3.75Å; F14-Q40 HydrophobicContact CD1-CG 4.29Å; F14-Q40 HydrophobicContact CE1-CB 3.82Å; F14-Q40 HydrophobicContact CE1-CG 4.41Å |
| 15 | T | 66.2 | Low | 63.3 | Low | 32 Ų | 32 | 97.1 Ų | 97.1 | 20% | 0.196 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136.3 | 171.6 | 58.6 | 0 | 0 | 0 | 0 | 109.8 | I13 Q40 Q41 R42 | I13-T15 HydrophobicContact CG2-CG2 3.98Å; T15-Q40 PolarHBondContact N-O 3.07Å; T15-Q41 VanDerWaalsContact CG2-NE2 3.29Å; T15-Q41 WeakPolarHBondContact OG1-CG 3.37Å; T15-Q41 PolarHBondContact OG1-NE2 3.2Å; T15-Q41 PolarHBondContact OG1-OE1 2.89Å; T15-R42 PolarHBondContact O-N 3.27Å |
| 16 | N | 66.4 | Low | 64.8 | Low | 126 Ų | 126 | 89.6 Ų | 89.6 | 67% | 0.674 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 117.8 | 166.6 | -70.7 | -67.4 | 0 | 0 | 0 | 107 | R42 | N16-R42 WeakPolarHBondContact CA-O 3.05Å; N16-R42 WeakPolarHBondContact OD1-CB 2.94Å; N16-R42 WeakPolarHBondContact OD1-CD 3.2Å |
| 17 | A | 62.6 | Low | 66.3 | Low | 29 Ų | 29 | 90.5 Ų | 90.5 | 24% | 0.24 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 137.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S22 R42 R44 | A17-S22 WeakPolarHBondContact CB-OG 3.35Å; A17-R42 PolarHBondContact N-O 3.06Å; A17-R44 PolarHBondContact O-N 3.27Å |
| 18 | T | 57.7 | Low | 67.1 | Low | 118 Ų | 118 | 86.3 Ų | 86.3 | 72% | 0.724 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 96.8 | 172.5 | -48.3 | 0 | 0 | 0 | 0 | 107.9 | R44 | T18-R44 WeakPolarHBondContact CA-O 3.41Å |
| 19 | R | 67.1 | Low | 67.6 | Low | 201 Ų | 201 | 92.5 Ų | 92.5 | 76% | 0.758 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -156 | 166.9 | 178.6 | -74.9 | -162.8 | -169.1 | -133.9 | 2.2 | 109.9 | M21 R44 S45 | R19-M21 WeakPolarHBondContact CB-O 3.37Å; R19-M21 PolarHBondContact O-N 3.35Å; R19-R44 PolarHBondContact N-O 2.92Å; R19-S45 WeakPolarHBondContact O-CA 3.1Å; R19-S45 WeakPolarHBondContact O-CB 3Å |
| 20 | L | 70.7 | Confident | 67.9 | Low | 139 Ų | 139 | 89.9 Ų | 89.9 | 73% | 0.728 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -53.1 | -38.7 | 173.5 | -71 | 171.7 | 0 | 0 | 0 | 112.1 | Q46 M47 | L20-Q46 HydrophobicContact CD2-CG 4.26Å; L20-Q46 WeakPolarHBondContact O-CB 3.39Å; L20-Q46 PolarHBondContact O-N 2.96Å; L20-M47 PolarHBondContact O-N 3.2Å |
| 21 | M | 70.3 | Confident | 68 | Low | 100 Ų | 100 | 91.6 Ų | 91.6 | 49% | 0.493 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141.7 | 174.3 | -63.3 | 177.3 | 70.1 | 0 | 0 | 110.9 | R19 M47 | R19-M21 WeakPolarHBondContact CB-O 3.37Å; R19-M21 PolarHBondContact O-N 3.35Å; M21-M47 WeakPolarHBondContact CA-O 3.31Å; M21-M47 HydrophobicContact CE-SD 3.96Å; M21-M47 HydrophobicContact CG-CB 4.37Å |
| 22 | S | 74.8 | Confident | 68 | Low | 10 Ų | 10 | 90 Ų | 90 | 7% | 0.07 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 123 | 171.9 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | A17 M47 Q49 | A17-S22 WeakPolarHBondContact CB-OG 3.35Å; S22-M47 PolarHBondContact N-O 3.26Å; S22-M47 VanDerWaalsContact N-O 3.14Å; S22-Q49 PolarHBondContact O-N 2.91Å |
| 23 | Q | 74.8 | Confident | 67.7 | Low | 130 Ų | 130 | 90.5 Ų | 90.5 | 61% | 0.607 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.4 | 177.5 | -63.8 | -168.7 | 0.9 | 0 | 0 | 110.8 | Q49 | Q23-Q49 WeakPolarHBondContact CA-O 3.43Å; Q23-Q49 HydrophobicContact CG-CB 4.28Å |
| 24 | S | 72.6 | Confident | 67.7 | Low | 30 Ų | 30 | 91.2 Ų | 91.2 | 21% | 0.21 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 129.6 | 171.1 | -77 | 0 | 0 | 0 | 0 | 110.4 | Q41 Q49 S50 S51 | S24-Q41 VanDerWaalsContact CB-CD 3.47Å; S24-Q41 PolarHBondContact OG-NE2 3.09Å; S24-Q41 PolarHBondContact OG-OE1 3.09Å; S24-Q41 VanDerWaalsContact OG-OE1 3.04Å; S24-Q49 PolarHBondContact N-O 3.42Å; S24-Q49 VanDerWaalsContact N-O 3.14Å; S24-S50 WeakPolarHBondContact O-CA 3.29Å; S24-S51 PolarHBondContact O-N 3.45Å |
| 25 | S | 76.9 | Confident | 67.7 | Low | 100 Ų | 100 | 84.9 Ų | 84.9 | 70% | 0.699 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.5 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | S51 | S25-S51 WeakPolarHBondContact CA-O 3.38Å; S25-S51 WeakPolarHBondContact CB-OG 3.42Å; S25-S51 PolarHBondContact OG-OG 2.83Å |
| 26 | L | 73.4 | Confident | 68 | Low | 16 Ų | 16 | 86.4 Ų | 86.4 | 8% | 0.084 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 124.5 | 178.6 | -167.8 | 174 | 0 | 0 | 0 | 109.3 | I11 I13 Q28 L39 S51 L52 Q53 | I11-L26 HydrophobicContact CG2-CD1 4.08Å; I13-L26 HydrophobicContact CD1-CD1 3.4Å; I13-L26 HydrophobicContact CD1-CG 4.12Å; I13-L26 HydrophobicContact CG1-CD1 3.87Å; L26-Q28 HydrophobicContact CD2-CB 4.47Å; L26-Q28 HydrophobicContact CD2-CG 3.46Å; L26-Q28 VanDerWaalsContact CD2-CG 3.46Å; L26-L39 HydrophobicContact CB-CD1 4.19Å; L26-L39 HydrophobicContact CD1-CD1 3.63Å; L26-S51 PolarHBondContact N-O 2.91Å; L26-L52 HydrophobicContact CB-CD1 3.81Å; L26-L52 HydrophobicContact CD1-CD1 4.19Å; L26-L52 HydrophobicContact CD2-CD1 3.77Å; L26-L52 HydrophobicContact CG-CD1 4.14Å; L26-Q53 PolarHBondContact O-N 2.83Å |
| 27 | Q | 75.8 | Confident | 68.2 | Low | 131 Ų | 131 | 81 Ų | 81 | 61% | 0.612 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.2 | 173.9 | -168.6 | 174.4 | 47 | 0 | 0 | 110.3 | Q53 | Q27-Q53 CarbonylContact C-O 3.58Å; Q27-Q53 VanDerWaalsContact CA-O 3.31Å; Q27-Q53 WeakPolarHBondContact CA-O 3.39Å; Q27-Q53 HydrophobicContact CG-CB 4.33Å |
| 28 | Q | 68.2 | Low | 68.9 | Low | 24 Ų | 24 | 81.7 Ų | 81.7 | 11% | 0.112 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.8 | 173.1 | -73.6 | -54.6 | -47 | 0 | 0 | 111.6 | I11 L26 Q53 Q54 R55 | I11-Q28 VanDerWaalsContact CD1-CD 3.48Å; L26-Q28 HydrophobicContact CD2-CB 4.47Å; L26-Q28 HydrophobicContact CD2-CG 3.46Å; L26-Q28 VanDerWaalsContact CD2-CG 3.46Å; Q28-Q53 PolarHBondContact N-O 2.93Å; Q28-Q54 HydrophobicContact CB-CG 4.34Å; Q28-R55 PolarHBondContact O-N 2.92Å |
| 29 | R | 67.8 | Low | 69.7 | Low | 182 Ų | 182 | 76.4 Ų | 76.4 | 69% | 0.687 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 115.3 | 171.5 | -164.4 | 179.1 | -174.8 | -152.7 | 5.4 | 109.2 | R55 | R29-R55 VanDerWaalsContact CA-O 3.32Å; R29-R55 WeakPolarHBondContact CA-O 3.43Å; R29-R55 HydrophobicContact CG-CB 4.33Å |
| 30 | S | 61.4 | Low | 70.3 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 4% | 0.035 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.7 | -175.9 | -42.2 | 0 | 0 | 0 | 0 | 111.2 | S35 R55 R57 | S30-S35 WeakPolarHBondContact CB-OG 3.21Å; S30-S35 PolarHBondContact OG-OG 3.21Å; S30-R55 PolarHBondContact N-O 3.01Å; S30-R57 PolarHBondContact O-N 2.98Å |
| 31 | R | 62.9 | Low | 70.4 | Confident | 166 Ų | 166 | 64.2 Ų | 64.2 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | trans | -115.4 | 16.9 | 169.3 | -62 | -173 | 179.7 | -161.6 | 5 | 117.6 | ||||
| 32 | P | 61 | Low | 70.8 | Confident | 16 Ų | 16 | 64 Ų | 64 | 10% | 0.104 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -79.4 | 175.9 | 176.1 | 33.5 | -35.8 | 0 | 0 | 0 | 112.8 | K8 M34 P58 | K8-P32 HydrophobicContact CG-CB 4.28Å; K8-P32 HydrophobicContact CG-CG 4.12Å; P32-M34 VanDerWaalsContact C-N 3.25Å; P32-M34 WeakPolarHBondContact CG-O 3.44Å; P32-M34 PolarHBondContact O-N 2.84Å; P32-P58 WeakPolarHBondContact O-CA 3.39Å; P32-P58 WeakPolarHBondContact O-CB 2.93Å |
| 33 | Q | 60.4 | Low | 70.7 | Confident | 150 Ų | 150 | 63.6 Ų | 63.6 | 70% | 0.701 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -59.7 | -28.1 | 177.3 | -83 | -173.1 | -21.1 | 0 | 0 | 114.2 | P58 Q59 | Q33-P58 VanDerWaalsContact O-CB 3.29Å; Q33-P58 WeakPolarHBondContact O-CB 2.86Å; Q33-Q59 PolarHBondContact O-N 2.91Å |
| 34 | M | 62.6 | Low | 70.8 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 38% | 0.379 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 155.6 | 167.1 | -4.1 | 168.1 | -149.9 | 0 | 0 | 111.6 | K8 P32 M60 | K8-M34 HydrophobicContact CD-CB 4.38Å; K8-M34 WeakPolarHBondContact CD-O 3.32Å; K8-M34 VanDerWaalsContact CE-C 3.42Å; K8-M34 VanDerWaalsContact CE-CB 3.4Å; K8-M34 VanDerWaalsContact CE-CG 3.48Å; K8-M34 WeakPolarHBondContact CE-O 3.29Å; K8-M34 WeakPolarHBondContact CG-O 3.49Å; K8-M34 PolarHBondContact NZ-SD 2.89Å; P32-M34 VanDerWaalsContact C-N 3.25Å; P32-M34 WeakPolarHBondContact CG-O 3.44Å; P32-M34 PolarHBondContact O-N 2.84Å; M34-M60 CarbonylContact C-O 3.55Å; M34-M60 WeakPolarHBondContact CA-O 3.04Å; M34-M60 HydrophobicContact CB-CB 4.24Å; M34-M60 WeakPolarHBondContact CB-O 3.17Å; M34-M60 HydrophobicContact CG-CE 4.29Å; M34-M60 HydrophobicContact SD-CE 3.76Å |
| 35 | S | 68 | Low | 70.8 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.5 | 174.2 | -176 | 0 | 0 | 0 | 0 | 110.9 | S30 M60 Q62 | S30-S35 WeakPolarHBondContact CB-OG 3.21Å; S30-S35 PolarHBondContact OG-OG 3.21Å; S35-M60 PolarHBondContact N-O 3.29Å; S35-Q62 PolarHBondContact O-N 3.03Å |
| 36 | Q | 72.5 | Confident | 70.9 | Confident | 64 Ų | 64 | 62.3 Ų | 62.3 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 129.5 | -179.6 | -78.7 | 177.7 | -11.3 | 0 | 0 | 110.4 | Q62 | Q36-Q62 WeakPolarHBondContact CA-O 3.38Å; Q36-Q62 HydrophobicContact CG-CB 4.06Å |
| 37 | S | 70.5 | Confident | 71.1 | Confident | 11 Ų | 11 | 64 Ų | 64 | 8% | 0.077 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 136.3 | 174.6 | -67.1 | 0 | 0 | 0 | 0 | 111.4 | Q54 Q62 S63 S64 | S37-Q54 PolarHBondContact OG-NE2 2.82Å; S37-Q62 PolarHBondContact N-O 3Å; S37-Q62 VanDerWaalsContact N-O 3.08Å; S37-S63 WeakPolarHBondContact O-CA 3.42Å; S37-S64 PolarHBondContact O-N 2.91Å |
| 38 | S | 76.6 | Confident | 71.3 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 128.1 | 177.2 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | I11 Y12 S64 | I11-S38 PolarHBondContact O-N 2.87Å; Y12-S38 WeakPolarHBondContact CA-O 2.91Å; S38-S64 WeakPolarHBondContact CA-O 3.25Å |
| 39 | L | 74.7 | Confident | 71.9 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.7 | 179.4 | 179.1 | 139.4 | 0 | 0 | 0 | 109.7 | I13 L26 Q41 S64 L65 Q66 | I13-L39 HydrophobicContact CB-CD1 4.38Å; L26-L39 HydrophobicContact CB-CD1 4.19Å; L26-L39 HydrophobicContact CD1-CD1 3.63Å; L39-Q41 HydrophobicContact CD2-CB 4.36Å; L39-Q41 HydrophobicContact CD2-CG 3.28Å; L39-Q41 HydrophobicContact CG-CG 4.02Å; L39-S64 PolarHBondContact N-O 2.89Å; L39-L65 HydrophobicContact CD2-CD1 3.68Å; L39-L65 HydrophobicContact CD2-CG 3.84Å; L39-Q66 PolarHBondContact O-N 2.79Å |
| 40 | Q | 79.8 | Confident | 72.4 | Confident | 81 Ų | 81 | 50.9 Ų | 50.9 | 38% | 0.379 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119.1 | 174.5 | -172 | -177.1 | 63.5 | 0 | 0 | 109 | I13 F14 T15 Q66 | I13-Q40 PolarHBondContact O-N 3.43Å; F14-Q40 WeakPolarHBondContact CA-O 3.04Å; F14-Q40 HydrophobicContact CD1-CB 3.75Å; F14-Q40 HydrophobicContact CD1-CG 4.29Å; F14-Q40 HydrophobicContact CE1-CB 3.82Å; F14-Q40 HydrophobicContact CE1-CG 4.41Å; T15-Q40 PolarHBondContact N-O 3.07Å; Q40-Q66 CarbonylContact C-O 3.59Å; Q40-Q66 VanDerWaalsContact CA-O 3.32Å; Q40-Q66 WeakPolarHBondContact CA-O 3.32Å; Q40-Q66 HydrophobicContact CG-CB 4.42Å |
| 41 | Q | 73.5 | Confident | 73.4 | Confident | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.3 | 179.8 | -69.6 | -101.6 | -23.3 | 0 | 0 | 109.8 | T15 S24 L39 Q66 Q67 R68 | T15-Q41 VanDerWaalsContact CG2-NE2 3.29Å; T15-Q41 WeakPolarHBondContact OG1-CG 3.37Å; T15-Q41 PolarHBondContact OG1-NE2 3.2Å; T15-Q41 PolarHBondContact OG1-OE1 2.89Å; S24-Q41 VanDerWaalsContact CB-CD 3.47Å; S24-Q41 PolarHBondContact OG-NE2 3.09Å; S24-Q41 PolarHBondContact OG-OE1 3.09Å; S24-Q41 VanDerWaalsContact OG-OE1 3.04Å; L39-Q41 HydrophobicContact CD2-CB 4.36Å; L39-Q41 HydrophobicContact CD2-CG 3.28Å; L39-Q41 HydrophobicContact CG-CG 4.02Å; Q41-Q66 PolarHBondContact N-O 2.82Å; Q41-Q67 VanDerWaalsContact CB-CD 3.43Å; Q41-Q67 VanDerWaalsContact CG-NE2 3.27Å; Q41-Q67 CarbonylContact O-C 3.58Å; Q41-R68 PolarHBondContact O-N 2.86Å |
| 42 | R | 78.8 | Confident | 74.2 | Confident | 95 Ų | 95 | 45.2 Ų | 45.2 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 116.2 | 175.1 | -173.5 | 178.3 | -178.6 | -170.3 | -1.3 | 109.6 | T15 N16 A17 R68 | T15-R42 PolarHBondContact O-N 3.27Å; N16-R42 WeakPolarHBondContact CA-O 3.05Å; N16-R42 WeakPolarHBondContact OD1-CB 2.94Å; N16-R42 WeakPolarHBondContact OD1-CD 3.2Å; A17-R42 PolarHBondContact N-O 3.06Å; R42-R68 VanDerWaalsContact CA-O 3.31Å; R42-R68 WeakPolarHBondContact CA-O 3.46Å; R42-R68 HydrophobicContact CG-CB 4.46Å |
| 43 | S | 73.3 | Confident | 75.2 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.1 | -176.1 | 55.3 | 0 | 0 | 0 | 0 | 111.7 | S48 R68 S69 R70 | S43-S48 WeakPolarHBondContact CB-OG 3.32Å; S43-S48 WeakPolarHBondContact OG-CB 2.98Å; S43-S48 PolarHBondContact OG-OG 3.25Å; S43-R68 PolarHBondContact N-O 2.89Å; S43-S69 PolarHBondContact OG-OG 3.26Å; S43-R70 PolarHBondContact O-N 3.02Å |
| 44 | R | 76.6 | Confident | 75.9 | Confident | 120 Ų | 120 | 40.3 Ų | 40.3 | 45% | 0.453 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 103.4 | 166.6 | -61.5 | -171.7 | -173.2 | -173.7 | 7.4 | 107.7 | A17 T18 R19 R70 | A17-R44 PolarHBondContact O-N 3.27Å; T18-R44 WeakPolarHBondContact CA-O 3.41Å; R19-R44 PolarHBondContact N-O 2.92Å; R44-R70 WeakPolarHBondContact CA-O 3.43Å; R44-R70 HydrophobicContact CG-CB 4.32Å |
| 45 | S | 72.9 | Confident | 76.4 | Confident | 16 Ų | 16 | 42 Ų | 42 | 11% | 0.112 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -158.4 | 172 | -169.6 | 57.1 | 0 | 0 | 0 | 0 | 112 | R19 M47 R70 S71 | R19-S45 WeakPolarHBondContact O-CA 3.1Å; R19-S45 WeakPolarHBondContact O-CB 3Å; S45-M47 WeakPolarHBondContact CB-O 3.3Å; S45-M47 PolarHBondContact OG-O 2.94Å; S45-R70 PolarHBondContact N-O 2.83Å; S45-S71 WeakPolarHBondContact O-CA 3.37Å; S45-S71 WeakPolarHBondContact O-CB 3.38Å |
| 46 | Q | 77.6 | Confident | 76.2 | Confident | 97 Ų | 97 | 42 Ų | 42 | 45% | 0.453 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -69.2 | -41.2 | 166.2 | -75.8 | -76.3 | -4.8 | 0 | 0 | 110 | L20 S71 Q72 M73 | L20-Q46 HydrophobicContact CD2-CG 4.26Å; L20-Q46 WeakPolarHBondContact O-CB 3.39Å; L20-Q46 PolarHBondContact O-N 2.96Å; Q46-S71 WeakPolarHBondContact O-CB 3.33Å; Q46-Q72 PolarHBondContact O-N 2.98Å; Q46-Q72 VanDerWaalsContact OE1-CG 3.24Å; Q46-M73 PolarHBondContact O-N 2.9Å; Q46-M73 VanDerWaalsContact O-N 3.13Å |
| 47 | M | 77.4 | Confident | 76 | Confident | 53 Ų | 53 | 45.2 Ų | 45.2 | 26% | 0.261 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.8 | 179.1 | -171.7 | -178 | -68 | 0 | 0 | 111.9 | L20 M21 S22 S45 Q49 M73 | L20-M47 PolarHBondContact O-N 3.2Å; M21-M47 WeakPolarHBondContact CA-O 3.31Å; M21-M47 HydrophobicContact CE-SD 3.96Å; M21-M47 HydrophobicContact CG-CB 4.37Å; S22-M47 PolarHBondContact N-O 3.26Å; S22-M47 VanDerWaalsContact N-O 3.14Å; S45-M47 WeakPolarHBondContact CB-O 3.3Å; S45-M47 PolarHBondContact OG-O 2.94Å; M47-Q49 HydrophobicContact CG-CG 4.18Å; M47-Q49 HydrophobicContact SD-CG 4.21Å; M47-M73 WeakPolarHBondContact CA-O 3.33Å; M47-M73 HydrophobicContact CE-SD 4.06Å; M47-M73 HydrophobicContact CG-CB 4.49Å |
| 48 | S | 79.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.3 | 173.5 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | S43 M73 S74 Q75 | S43-S48 WeakPolarHBondContact CB-OG 3.32Å; S43-S48 WeakPolarHBondContact OG-CB 2.98Å; S43-S48 PolarHBondContact OG-OG 3.25Å; S48-M73 PolarHBondContact N-O 2.86Å; S48-S74 WeakPolarHBondContact O-CA 3.49Å; S48-Q75 PolarHBondContact O-N 2.89Å |
| 49 | Q | 81.1 | Confident | 74.9 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.9 | 178.6 | -63.9 | -179.9 | -36.6 | 0 | 0 | 110.7 | S22 Q23 S24 M47 Q75 | S22-Q49 PolarHBondContact O-N 2.91Å; Q23-Q49 WeakPolarHBondContact CA-O 3.43Å; Q23-Q49 HydrophobicContact CG-CB 4.28Å; S24-Q49 PolarHBondContact N-O 3.42Å; S24-Q49 VanDerWaalsContact N-O 3.14Å; M47-Q49 HydrophobicContact CG-CG 4.18Å; M47-Q49 HydrophobicContact SD-CG 4.21Å; Q49-Q75 WeakPolarHBondContact CA-O 3.36Å; Q49-Q75 HydrophobicContact CG-CB 4.24Å |
| 50 | S | 79.3 | Confident | 74.4 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 132.1 | 174.8 | -80.6 | 0 | 0 | 0 | 0 | 112 | S24 Q67 Q75 S76 S77 | S24-S50 WeakPolarHBondContact O-CA 3.29Å; S50-Q67 VanDerWaalsContact OG-CD 3.31Å; S50-Q67 PolarHBondContact OG-NE2 2.85Å; S50-Q67 PolarHBondContact OG-OE1 2.89Å; S50-Q67 VanDerWaalsContact OG-OE1 3.12Å; S50-Q75 PolarHBondContact N-O 2.87Å; S50-S76 CarbonylContact O-C 3.59Å; S50-S76 WeakPolarHBondContact O-CA 3.38Å; S50-S77 PolarHBondContact O-N 3.08Å |
| 51 | S | 81.6 | Confident | 74 | Confident | 49 Ų | 49 | 47.5 Ų | 47.5 | 34% | 0.343 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.9 | 176.8 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | S24 S25 L26 S77 | S24-S51 PolarHBondContact O-N 3.45Å; S25-S51 WeakPolarHBondContact CA-O 3.38Å; S25-S51 WeakPolarHBondContact CB-OG 3.42Å; S25-S51 PolarHBondContact OG-OG 2.83Å; L26-S51 PolarHBondContact N-O 2.91Å; S51-S77 CarbonylContact C-O 3.57Å; S51-S77 VanDerWaalsContact CA-O 3.28Å; S51-S77 WeakPolarHBondContact CA-O 3.16Å |
| 52 | L | 81.3 | Confident | 74.2 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.9 | 174.1 | -174 | 69.6 | 0 | 0 | 0 | 109.6 | L26 Q54 L65 S77 L78 Q79 | L26-L52 HydrophobicContact CB-CD1 3.81Å; L26-L52 HydrophobicContact CD1-CD1 4.19Å; L26-L52 HydrophobicContact CD2-CD1 3.77Å; L26-L52 HydrophobicContact CG-CD1 4.14Å; L52-Q54 HydrophobicContact CD1-CG 4.21Å; L52-Q54 HydrophobicContact CD2-CG 3.93Å; L52-Q54 HydrophobicContact CG-CG 3.8Å; L52-L65 HydrophobicContact CB-CD1 3.75Å; L52-L65 HydrophobicContact CD2-CD1 4.24Å; L52-S77 PolarHBondContact N-O 3.5Å; L52-L78 HydrophobicContact CB-CB 4.43Å; L52-L78 HydrophobicContact CB-CD1 4.46Å; L52-L78 HydrophobicContact CB-CG 4.27Å; L52-L78 HydrophobicContact CD2-CD1 3.67Å; L52-L78 HydrophobicContact CD2-CG 4.09Å; L52-L78 CarbonylContact O-C 3.57Å; L52-L78 WeakPolarHBondContact O-CA 3.31Å; L52-Q79 PolarHBondContact O-N 2.81Å |
| 53 | Q | 81.5 | Confident | 74.1 | Confident | 62 Ų | 62 | 46.7 Ų | 46.7 | 29% | 0.29 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.5 | 170.6 | -113 | -172.2 | 23.2 | 0 | 0 | 110.3 | L26 Q27 Q28 Q79 | L26-Q53 PolarHBondContact O-N 2.83Å; Q27-Q53 CarbonylContact C-O 3.58Å; Q27-Q53 VanDerWaalsContact CA-O 3.31Å; Q27-Q53 WeakPolarHBondContact CA-O 3.39Å; Q27-Q53 HydrophobicContact CG-CB 4.33Å; Q28-Q53 PolarHBondContact N-O 2.93Å; Q53-Q79 CarbonylContact C-O 3.59Å; Q53-Q79 WeakPolarHBondContact CA-O 3.39Å; Q53-Q79 HydrophobicContact CG-CB 3.77Å |
| 54 | Q | 73.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.6 | -175.2 | -73.6 | -88.8 | -5.7 | 0 | 0 | 109.2 | Q28 S37 L52 Q79 Q80 R81 | Q28-Q54 HydrophobicContact CB-CG 4.34Å; S37-Q54 PolarHBondContact OG-NE2 2.82Å; L52-Q54 HydrophobicContact CD1-CG 4.21Å; L52-Q54 HydrophobicContact CD2-CG 3.93Å; L52-Q54 HydrophobicContact CG-CG 3.8Å; Q54-Q79 PolarHBondContact N-O 2.85Å; Q54-Q80 HydrophobicContact CB-CG 4.4Å; Q54-Q80 VanDerWaalsContact CB-NE2 3.29Å; Q54-Q80 VanDerWaalsContact CG-NE2 3.26Å; Q54-Q80 CarbonylContact O-C 3.59Å; Q54-Q80 WeakPolarHBondContact O-CA 3.35Å; Q54-R81 PolarHBondContact O-N 2.78Å |
| 55 | R | 73.3 | Confident | 74.7 | Confident | 111 Ų | 111 | 43 Ų | 43 | 42% | 0.419 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 105.1 | 178.5 | -69.5 | -172.5 | 177.8 | -132.9 | 5.9 | 109.3 | Q28 R29 S30 R81 | Q28-R55 PolarHBondContact O-N 2.92Å; R29-R55 VanDerWaalsContact CA-O 3.32Å; R29-R55 WeakPolarHBondContact CA-O 3.43Å; R29-R55 HydrophobicContact CG-CB 4.33Å; S30-R55 PolarHBondContact N-O 3.01Å; R55-R81 CarbonylContact C-O 3.55Å; R55-R81 WeakPolarHBondContact CA-O 3.47Å; R55-R81 HydrophobicContact CG-CB 4.18Å |
| 56 | S | 65.6 | Low | 75.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.1 | -172.6 | -68.6 | 0 | 0 | 0 | 0 | 110.8 | S61 R81 S82 R83 | S56-S61 VanDerWaalsContact CB-OG 3.31Å; S56-S61 WeakPolarHBondContact CB-OG 3.36Å; S56-S61 PolarHBondContact OG-OG 2.82Å; S56-R81 PolarHBondContact N-O 2.97Å; S56-S82 WeakPolarHBondContact O-CA 3.32Å; S56-R83 PolarHBondContact O-N 3.03Å |
| 57 | R | 66.6 | Low | 75.2 | Confident | 132 Ų | 132 | 40.5 Ų | 40.5 | 50% | 0.498 | 19% | 0.193 | S | C | . | . | trans | -112.7 | 40.1 | 163.6 | -58.7 | -173.3 | 176.7 | -172.1 | 0.2 | 115.8 | S30 R83 | S30-R57 PolarHBondContact O-N 2.98Å; R57-R83 HydrophobicContact CG-CB 4.34Å | ||
| 58 | P | 60.1 | Low | 75.4 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 8% | 0.078 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -83 | -167.7 | 176.3 | 31.9 | -34 | 0 | 0 | 0 | 114 | P32 Q33 M60 P84 | P32-P58 WeakPolarHBondContact O-CA 3.39Å; P32-P58 WeakPolarHBondContact O-CB 2.93Å; Q33-P58 VanDerWaalsContact O-CB 3.29Å; Q33-P58 WeakPolarHBondContact O-CB 2.86Å; P58-M60 WeakPolarHBondContact CB-O 3.35Å; P58-M60 VanDerWaalsContact CG-C 3.49Å; P58-M60 WeakPolarHBondContact CG-O 3.45Å; P58-P84 HydrophobicContact CG-CB 3.99Å; P58-P84 HydrophobicContact CG-CG 4.37Å; P58-P84 WeakPolarHBondContact O-CA 3.31Å; P58-P84 WeakPolarHBondContact O-CB 3.49Å |
| 59 | Q | 63.7 | Low | 75.1 | Confident | 112 Ų | 112 | 42.8 Ų | 42.8 | 52% | 0.523 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -80.5 | -27.9 | 156.8 | -81.8 | -172 | -31.8 | 0 | 0 | 112.5 | Q33 P84 Q85 M86 | Q33-Q59 PolarHBondContact O-N 2.91Å; Q59-P84 WeakPolarHBondContact O-CB 3.37Å; Q59-Q85 PolarHBondContact O-N 3.04Å; Q59-M86 PolarHBondContact O-N 2.87Å |
| 60 | M | 65.3 | Low | 74.9 | Confident | 68 Ų | 68 | 44.4 Ų | 44.4 | 34% | 0.335 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 135.4 | 177.9 | -64.7 | -174.8 | -81.7 | 0 | 0 | 112.7 | M34 S35 P58 M86 | M34-M60 CarbonylContact C-O 3.55Å; M34-M60 WeakPolarHBondContact CA-O 3.04Å; M34-M60 HydrophobicContact CB-CB 4.24Å; M34-M60 WeakPolarHBondContact CB-O 3.17Å; M34-M60 HydrophobicContact CG-CE 4.29Å; M34-M60 HydrophobicContact SD-CE 3.76Å; S35-M60 PolarHBondContact N-O 3.29Å; P58-M60 WeakPolarHBondContact CB-O 3.35Å; P58-M60 VanDerWaalsContact CG-C 3.49Å; P58-M60 WeakPolarHBondContact CG-O 3.45Å; M60-M86 WeakPolarHBondContact CA-O 3.44Å; M60-M86 HydrophobicContact CG-CB 4.36Å; M60-M86 HydrophobicContact CG-CE 3.94Å; M60-M86 HydrophobicContact SD-CE 3.75Å |
| 61 | S | 72.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.8 | 173.4 | -169.7 | 0 | 0 | 0 | 0 | 110.8 | S56 M86 Q88 | S56-S61 VanDerWaalsContact CB-OG 3.31Å; S56-S61 WeakPolarHBondContact CB-OG 3.36Å; S56-S61 PolarHBondContact OG-OG 2.82Å; S61-M86 PolarHBondContact N-O 2.82Å; S61-M86 VanDerWaalsContact N-O 3.09Å; S61-Q88 PolarHBondContact O-N 2.89Å |
| 62 | Q | 76.7 | Confident | 74.3 | Confident | 75 Ų | 75 | 47.9 Ų | 47.9 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.9 | 177.5 | -80.7 | 175 | -12.5 | 0 | 0 | 110.4 | S35 Q36 S37 Q88 | S35-Q62 PolarHBondContact O-N 3.03Å; Q36-Q62 WeakPolarHBondContact CA-O 3.38Å; Q36-Q62 HydrophobicContact CG-CB 4.06Å; S37-Q62 PolarHBondContact N-O 3Å; S37-Q62 VanDerWaalsContact N-O 3.08Å; Q62-Q88 WeakPolarHBondContact CA-O 3.31Å; Q62-Q88 HydrophobicContact CG-CB 4.01Å |
| 63 | S | 76.1 | Confident | 74.1 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 133.2 | 176 | -72.3 | 0 | 0 | 0 | 0 | 111.8 | S37 Q80 Q88 S89 S90 | S37-S63 WeakPolarHBondContact O-CA 3.42Å; S63-Q80 PolarHBondContact OG-NE2 2.85Å; S63-Q80 PolarHBondContact OG-OE1 2.86Å; S63-Q88 PolarHBondContact N-O 2.95Å; S63-S89 CarbonylContact O-C 3.56Å; S63-S89 VanDerWaalsContact O-CA 3.29Å; S63-S89 WeakPolarHBondContact O-CA 3.42Å; S63-S90 PolarHBondContact O-N 2.99Å |
| 64 | S | 81.7 | Confident | 74 | Confident | 44 Ų | 44 | 47.3 Ų | 47.3 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.9 | 175.2 | -166.7 | 0 | 0 | 0 | 0 | 110.9 | S37 S38 L39 S90 | S37-S64 PolarHBondContact O-N 2.91Å; S38-S64 WeakPolarHBondContact CA-O 3.25Å; L39-S64 PolarHBondContact N-O 2.89Å; S64-S90 CarbonylContact C-O 3.58Å; S64-S90 VanDerWaalsContact CA-O 3.31Å; S64-S90 WeakPolarHBondContact CA-O 3.36Å; S64-S90 WeakPolarHBondContact CB-OG 3.42Å; S64-S90 PolarHBondContact OG-OG 2.84Å |
| 65 | L | 81.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 113.6 | 176.7 | -173.5 | 136.8 | 0 | 0 | 0 | 109.9 | L39 L52 Q67 L78 S90 L91 Q92 | L39-L65 HydrophobicContact CD2-CD1 3.68Å; L39-L65 HydrophobicContact CD2-CG 3.84Å; L52-L65 HydrophobicContact CB-CD1 3.75Å; L52-L65 HydrophobicContact CD2-CD1 4.24Å; L65-Q67 HydrophobicContact CD2-CG 3.34Å; L65-Q67 HydrophobicContact CG-CG 4.25Å; L65-L78 HydrophobicContact CB-CD1 3.93Å; L65-S90 PolarHBondContact N-O 2.79Å; L65-L91 HydrophobicContact CB-CD1 4.46Å; L65-L91 HydrophobicContact CB-CG 4.43Å; L65-L91 HydrophobicContact CD2-CD1 3.49Å; L65-L91 VanDerWaalsContact CD2-CD1 3.49Å; L65-L91 HydrophobicContact CD2-CG 3.73Å; L65-L91 HydrophobicContact CG-CD1 4.49Å; L65-L91 CarbonylContact O-C 3.58Å; L65-L91 VanDerWaalsContact O-CA 3.3Å; L65-L91 WeakPolarHBondContact O-CA 3.37Å; L65-Q92 PolarHBondContact O-N 2.86Å |
| 66 | Q | 83.4 | Confident | 74.9 | Confident | 59 Ų | 59 | 45 Ų | 45 | 28% | 0.276 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.8 | 175.3 | -169.4 | 179.6 | 42.5 | 0 | 0 | 109.9 | L39 Q40 Q41 Q92 | L39-Q66 PolarHBondContact O-N 2.79Å; Q40-Q66 CarbonylContact C-O 3.59Å; Q40-Q66 VanDerWaalsContact CA-O 3.32Å; Q40-Q66 WeakPolarHBondContact CA-O 3.32Å; Q40-Q66 HydrophobicContact CG-CB 4.42Å; Q41-Q66 PolarHBondContact N-O 2.82Å; Q66-Q92 CarbonylContact C-O 3.59Å; Q66-Q92 WeakPolarHBondContact CA-O 3.27Å; Q66-Q92 HydrophobicContact CG-CB 4.43Å |
| 67 | Q | 76.9 | Confident | 75.8 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.6 | -178.7 | -67 | -79.3 | -25.1 | 0 | 0 | 109.9 | Q41 S50 L65 Q92 Q93 R94 | Q41-Q67 VanDerWaalsContact CB-CD 3.43Å; Q41-Q67 VanDerWaalsContact CG-NE2 3.27Å; Q41-Q67 CarbonylContact O-C 3.58Å; S50-Q67 VanDerWaalsContact OG-CD 3.31Å; S50-Q67 PolarHBondContact OG-NE2 2.85Å; S50-Q67 PolarHBondContact OG-OE1 2.89Å; S50-Q67 VanDerWaalsContact OG-OE1 3.12Å; L65-Q67 HydrophobicContact CD2-CG 3.34Å; L65-Q67 HydrophobicContact CG-CG 4.25Å; Q67-Q92 PolarHBondContact N-O 2.87Å; Q67-Q93 VanDerWaalsContact CB-CD 3.48Å; Q67-R94 PolarHBondContact O-N 2.87Å |
| 68 | R | 81.4 | Confident | 76.6 | Confident | 101 Ų | 101 | 40.5 Ų | 40.5 | 38% | 0.381 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 100.7 | 176.4 | -169.5 | 176.4 | -176.4 | -175.7 | 1.9 | 109.9 | Q41 R42 S43 R94 | Q41-R68 PolarHBondContact O-N 2.86Å; R42-R68 VanDerWaalsContact CA-O 3.31Å; R42-R68 WeakPolarHBondContact CA-O 3.46Å; R42-R68 HydrophobicContact CG-CB 4.46Å; S43-R68 PolarHBondContact N-O 2.89Å; R68-R94 CarbonylContact C-O 3.55Å; R68-R94 VanDerWaalsContact CA-O 3.31Å; R68-R94 WeakPolarHBondContact CA-O 3.32Å; R68-R94 HydrophobicContact CG-CB 4.41Å |
| 69 | S | 73.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.3 | -176.5 | -48.4 | 0 | 0 | 0 | 0 | 110.7 | S43 S74 R94 S95 R96 | S43-S69 PolarHBondContact OG-OG 3.26Å; S69-S74 WeakPolarHBondContact CB-OG 3.38Å; S69-S74 PolarHBondContact OG-OG 3.02Å; S69-R94 PolarHBondContact N-O 2.79Å; S69-S95 WeakPolarHBondContact O-CA 3.32Å; S69-R96 PolarHBondContact O-N 3.12Å |
| 70 | R | 77.5 | Confident | 78.3 | Confident | 90 Ų | 90 | 37.2 Ų | 37.2 | 34% | 0.34 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 93.8 | 162.6 | -63.6 | -174.7 | 176.8 | -179.7 | -2.1 | 107 | S43 R44 S45 R96 | S43-R70 PolarHBondContact O-N 3.02Å; R44-R70 WeakPolarHBondContact CA-O 3.43Å; R44-R70 HydrophobicContact CG-CB 4.32Å; S45-R70 PolarHBondContact N-O 2.83Å; R70-R96 HydrophobicContact CG-CB 4.3Å |
| 71 | S | 71.3 | Confident | 78.7 | Confident | 17 Ų | 17 | 38.7 Ų | 38.7 | 12% | 0.119 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -149.1 | -172.3 | -169.4 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | S45 Q46 M73 R96 S97 | S45-S71 WeakPolarHBondContact O-CA 3.37Å; S45-S71 WeakPolarHBondContact O-CB 3.38Å; Q46-S71 WeakPolarHBondContact O-CB 3.33Å; S71-M73 PolarHBondContact OG-O 2.85Å; S71-R96 PolarHBondContact N-O 2.85Å; S71-S97 WeakPolarHBondContact O-CA 3.35Å; S71-S97 WeakPolarHBondContact O-CB 3.42Å |
| 72 | Q | 75.6 | Confident | 78.4 | Confident | 110 Ų | 110 | 38.7 Ų | 38.7 | 51% | 0.514 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -85.5 | -41.1 | 161.3 | -75.9 | -171.4 | -17.2 | 0 | 0 | 110.4 | Q46 S97 Q98 M99 | Q46-Q72 PolarHBondContact O-N 2.98Å; Q46-Q72 VanDerWaalsContact OE1-CG 3.24Å; Q72-S97 WeakPolarHBondContact O-CB 3.33Å; Q72-Q98 PolarHBondContact O-N 2.89Å; Q72-M99 PolarHBondContact O-N 3.28Å |
| 73 | M | 77.3 | Confident | 77.8 | Confident | 54 Ų | 54 | 41.6 Ų | 41.6 | 27% | 0.266 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136.9 | -178.5 | -170.5 | 179.9 | -69 | 0 | 0 | 111.9 | Q46 M47 S48 S71 Q75 M99 | Q46-M73 PolarHBondContact O-N 2.9Å; Q46-M73 VanDerWaalsContact O-N 3.13Å; M47-M73 WeakPolarHBondContact CA-O 3.33Å; M47-M73 HydrophobicContact CE-SD 4.06Å; M47-M73 HydrophobicContact CG-CB 4.49Å; S48-M73 PolarHBondContact N-O 2.86Å; S71-M73 PolarHBondContact OG-O 2.85Å; M73-Q75 HydrophobicContact CG-CG 4.2Å; M73-Q75 HydrophobicContact SD-CG 4.22Å; M73-M99 HydrophobicContact CE-SD 4.11Å |
| 74 | S | 79.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.2 | 170.2 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | S48 S69 M99 S100 Q101 | S48-S74 WeakPolarHBondContact O-CA 3.49Å; S69-S74 WeakPolarHBondContact CB-OG 3.38Å; S69-S74 PolarHBondContact OG-OG 3.02Å; S74-M99 PolarHBondContact N-O 2.94Å; S74-S100 CarbonylContact O-C 3.54Å; S74-S100 WeakPolarHBondContact O-CA 3.46Å; S74-Q101 PolarHBondContact O-N 2.87Å |
| 75 | Q | 83.2 | Confident | 75.8 | Confident | 57 Ų | 57 | 45 Ų | 45 | 27% | 0.266 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.9 | 176.8 | -65.6 | -177.6 | -31.5 | 0 | 0 | 110.1 | S48 Q49 S50 M73 Q101 | S48-Q75 PolarHBondContact O-N 2.89Å; Q49-Q75 WeakPolarHBondContact CA-O 3.36Å; Q49-Q75 HydrophobicContact CG-CB 4.24Å; S50-Q75 PolarHBondContact N-O 2.87Å; M73-Q75 HydrophobicContact CG-CG 4.2Å; M73-Q75 HydrophobicContact SD-CG 4.22Å; Q75-Q101 WeakPolarHBondContact CA-O 2.71Å; Q75-Q101 HydrophobicContact CG-CB 4.27Å |
| 76 | S | 82.1 | Confident | 74.9 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133 | 175.4 | -71.7 | 0 | 0 | 0 | 0 | 112.2 | S50 Q93 Q101 S102 S103 | S50-S76 CarbonylContact O-C 3.59Å; S50-S76 WeakPolarHBondContact O-CA 3.38Å; S76-Q93 PolarHBondContact OG-NE2 2.96Å; S76-Q93 PolarHBondContact OG-OE1 3.16Å; S76-Q101 PolarHBondContact N-O 2.86Å; S76-S102 CarbonylContact O-C 3.58Å; S76-S102 VanDerWaalsContact O-CA 3.27Å; S76-S102 WeakPolarHBondContact O-CA 3.06Å; S76-S103 PolarHBondContact O-N 2.85Å |
| 77 | S | 84.5 | Confident | 74.4 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 27% | 0.266 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.6 | 178 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | S50 S51 L52 S103 | S50-S77 PolarHBondContact O-N 3.08Å; S51-S77 CarbonylContact C-O 3.57Å; S51-S77 VanDerWaalsContact CA-O 3.28Å; S51-S77 WeakPolarHBondContact CA-O 3.16Å; L52-S77 PolarHBondContact N-O 3.5Å; S77-S103 CarbonylContact C-O 3.59Å; S77-S103 WeakPolarHBondContact CA-O 3.45Å |
| 78 | L | 84.3 | Confident | 74.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 118.2 | 175.3 | 178.1 | 154.1 | 0 | 0 | 0 | 108.7 | L52 L65 Q80 L91 S103 L104 Q105 | L52-L78 HydrophobicContact CB-CB 4.43Å; L52-L78 HydrophobicContact CB-CD1 4.46Å; L52-L78 HydrophobicContact CB-CG 4.27Å; L52-L78 HydrophobicContact CD2-CD1 3.67Å; L52-L78 HydrophobicContact CD2-CG 4.09Å; L52-L78 CarbonylContact O-C 3.57Å; L52-L78 WeakPolarHBondContact O-CA 3.31Å; L65-L78 HydrophobicContact CB-CD1 3.93Å; L78-Q80 HydrophobicContact CD2-CG 3.32Å; L78-Q80 HydrophobicContact CG-CG 4.33Å; L78-L91 HydrophobicContact CB-CD1 4.14Å; L78-S103 PolarHBondContact N-O 2.88Å; L78-L104 HydrophobicContact CB-CD2 3.6Å; L78-L104 HydrophobicContact CD1-CD2 4.39Å; L78-L104 HydrophobicContact CD2-CD2 4Å; L78-L104 HydrophobicContact CG-CD2 4.21Å; L78-L104 CarbonylContact O-C 3.58Å; L78-L104 WeakPolarHBondContact O-CA 3.36Å; L78-Q105 PolarHBondContact O-N 2.89Å |
| 79 | Q | 83.3 | Confident | 74.2 | Confident | 54 Ų | 54 | 45 Ų | 45 | 25% | 0.252 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.2 | 177.6 | -63.9 | -176.1 | 11.5 | 0 | 0 | 109.4 | L52 Q53 Q54 Q105 | L52-Q79 PolarHBondContact O-N 2.81Å; Q53-Q79 CarbonylContact C-O 3.59Å; Q53-Q79 WeakPolarHBondContact CA-O 3.39Å; Q53-Q79 HydrophobicContact CG-CB 3.77Å; Q54-Q79 PolarHBondContact N-O 2.85Å; Q79-Q105 CarbonylContact C-O 3.6Å; Q79-Q105 WeakPolarHBondContact CA-O 3.32Å; Q79-Q105 HydrophobicContact CG-CB 4.26Å |
| 80 | Q | 75.4 | Confident | 74.7 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.8 | 179.6 | -66.1 | -80 | -19.6 | 0 | 0 | 108.6 | Q54 S63 L78 Q105 R107 | Q54-Q80 HydrophobicContact CB-CG 4.4Å; Q54-Q80 VanDerWaalsContact CB-NE2 3.29Å; Q54-Q80 VanDerWaalsContact CG-NE2 3.26Å; Q54-Q80 CarbonylContact O-C 3.59Å; Q54-Q80 WeakPolarHBondContact O-CA 3.35Å; S63-Q80 PolarHBondContact OG-NE2 2.85Å; S63-Q80 PolarHBondContact OG-OE1 2.86Å; L78-Q80 HydrophobicContact CD2-CG 3.32Å; L78-Q80 HydrophobicContact CG-CG 4.33Å; Q80-Q105 PolarHBondContact N-O 2.77Å; Q80-R107 PolarHBondContact O-N 2.82Å |
| 81 | R | 73.9 | Confident | 74.9 | Confident | 98 Ų | 98 | 42.8 Ų | 42.8 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 105.2 | 173.4 | -70.8 | -178.3 | 178.1 | -114.1 | 4.8 | 107.4 | Q54 R55 S56 R107 | Q54-R81 PolarHBondContact O-N 2.78Å; R55-R81 CarbonylContact C-O 3.55Å; R55-R81 WeakPolarHBondContact CA-O 3.47Å; R55-R81 HydrophobicContact CG-CB 4.18Å; S56-R81 PolarHBondContact N-O 2.97Å; R81-R107 WeakPolarHBondContact CA-O 3.41Å; R81-R107 HydrophobicContact CG-CB 4.23Å |
| 82 | S | 65.3 | Low | 75.6 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.6 | -170.4 | -69.6 | 0 | 0 | 0 | 0 | 108.2 | S56 S87 R107 S108 R109 | S56-S82 WeakPolarHBondContact O-CA 3.32Å; S82-S87 PolarHBondContact OG-OG 3Å; S82-R107 PolarHBondContact N-O 3.05Å; S82-S108 VanDerWaalsContact O-CA 3.32Å; S82-S108 WeakPolarHBondContact O-CA 3.2Å; S82-R109 PolarHBondContact O-N 3.46Å |
| 83 | R | 64.5 | Low | 75.7 | Confident | 135 Ų | 135 | 38.9 Ų | 38.9 | 51% | 0.509 | 18% | 0.184 | S | C | . | . | trans | -102.4 | 27.1 | 158.9 | -60 | -174.8 | 176.2 | -174.8 | -1.9 | 116.8 | S56 R57 R109 | S56-R83 PolarHBondContact O-N 3.03Å; R57-R83 HydrophobicContact CG-CB 4.34Å; R83-R109 HydrophobicContact CG-CB 4.34Å | ||
| 84 | P | 55.6 | Low | 75.8 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -94.5 | 159.3 | 174.4 | 39 | -36 | 0 | 0 | 0 | 115 | P58 Q59 M86 P110 | P58-P84 HydrophobicContact CG-CB 3.99Å; P58-P84 HydrophobicContact CG-CG 4.37Å; P58-P84 WeakPolarHBondContact O-CA 3.31Å; P58-P84 WeakPolarHBondContact O-CB 3.49Å; Q59-P84 WeakPolarHBondContact O-CB 3.37Å; P84-M86 VanDerWaalsContact CG-O 3.25Å; P84-M86 WeakPolarHBondContact CG-O 3.31Å; P84-M86 PolarHBondContact O-N 2.93Å; P84-M86 VanDerWaalsContact O-N 3.09Å; P84-P110 WeakPolarHBondContact O-CB 3.4Å; P84-P110 WeakPolarHBondContact O-CD 3.45Å; P84-P110 WeakPolarHBondContact O-CG 3.49Å |
| 85 | Q | 60.3 | Low | 75.4 | Confident | 117 Ų | 117 | 41.3 Ų | 41.3 | 55% | 0.547 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -48.3 | -36.8 | 173.4 | -84.7 | -166.1 | -27.5 | 0 | 0 | 113.3 | Q59 M112 | Q59-Q85 PolarHBondContact O-N 3.04Å; Q85-M112 PolarHBondContact O-N 3.06Å |
| 86 | M | 64.2 | Low | 74.9 | Confident | 75 Ų | 75 | 44 Ų | 44 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 138.2 | -179.6 | -64.5 | -175.6 | -82.2 | 0 | 0 | 113.5 | Q59 M60 S61 P84 M112 | Q59-M86 PolarHBondContact O-N 2.87Å; M60-M86 WeakPolarHBondContact CA-O 3.44Å; M60-M86 HydrophobicContact CG-CB 4.36Å; M60-M86 HydrophobicContact CG-CE 3.94Å; M60-M86 HydrophobicContact SD-CE 3.75Å; S61-M86 PolarHBondContact N-O 2.82Å; S61-M86 VanDerWaalsContact N-O 3.09Å; P84-M86 VanDerWaalsContact CG-O 3.25Å; P84-M86 WeakPolarHBondContact CG-O 3.31Å; P84-M86 PolarHBondContact O-N 2.93Å; P84-M86 VanDerWaalsContact O-N 3.09Å; M86-M112 WeakPolarHBondContact CA-O 3.45Å; M86-M112 HydrophobicContact CG-CB 4.49Å |
| 87 | S | 72.1 | Confident | 74 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.7 | 169.9 | -167.3 | 0 | 0 | 0 | 0 | 110.3 | S82 Q106 M112 Q114 | S82-S87 PolarHBondContact OG-OG 3Å; S87-Q106 PolarHBondContact OG-OE1 2.9Å; S87-M112 PolarHBondContact N-O 3.07Å; S87-Q114 PolarHBondContact O-N 3.28Å |
| 88 | Q | 76.9 | Confident | 73.1 | Confident | 78 Ų | 78 | 47.2 Ų | 47.2 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.2 | 175.2 | -78.4 | -179.4 | -19.3 | 0 | 0 | 110.2 | S61 Q62 S63 Q114 | S61-Q88 PolarHBondContact O-N 2.89Å; Q62-Q88 WeakPolarHBondContact CA-O 3.31Å; Q62-Q88 HydrophobicContact CG-CB 4.01Å; S63-Q88 PolarHBondContact N-O 2.95Å; Q88-Q114 WeakPolarHBondContact CA-O 3.5Å; Q88-Q114 HydrophobicContact CG-CB 4.23Å |
| 89 | S | 77.6 | Confident | 72.7 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 133.9 | 175 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | S63 Q106 Q114 S115 S116 | S63-S89 CarbonylContact O-C 3.56Å; S63-S89 VanDerWaalsContact O-CA 3.29Å; S63-S89 WeakPolarHBondContact O-CA 3.42Å; S89-Q106 PolarHBondContact OG-NE2 3.25Å; S89-Q114 PolarHBondContact N-O 3.15Å; S89-S115 WeakPolarHBondContact O-CA 3.49Å; S89-S116 PolarHBondContact O-N 3.26Å; S89-S116 PolarHBondContact O-OG 2.99Å |
| 90 | S | 83.3 | Confident | 72.5 | Confident | 42 Ų | 42 | 47 Ų | 47 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.9 | 173.1 | 61 | 0 | 0 | 0 | 0 | 110.4 | S63 S64 L65 S116 | S63-S90 PolarHBondContact O-N 2.99Å; S64-S90 CarbonylContact C-O 3.58Å; S64-S90 VanDerWaalsContact CA-O 3.31Å; S64-S90 WeakPolarHBondContact CA-O 3.36Å; S64-S90 WeakPolarHBondContact CB-OG 3.42Å; S64-S90 PolarHBondContact OG-OG 2.84Å; L65-S90 PolarHBondContact N-O 2.79Å; S90-S116 WeakPolarHBondContact CA-OG 3.47Å; S90-S116 WeakPolarHBondContact CB-OG 3.48Å |
| 91 | L | 83.3 | Confident | 72.8 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 121.3 | 170.7 | 175.3 | 153.3 | 0 | 0 | 0 | 109.2 | L65 L78 Q93 L104 S116 L117 Q118 | L65-L91 HydrophobicContact CB-CD1 4.46Å; L65-L91 HydrophobicContact CB-CG 4.43Å; L65-L91 HydrophobicContact CD2-CD1 3.49Å; L65-L91 VanDerWaalsContact CD2-CD1 3.49Å; L65-L91 HydrophobicContact CD2-CG 3.73Å; L65-L91 HydrophobicContact CG-CD1 4.49Å; L65-L91 CarbonylContact O-C 3.58Å; L65-L91 VanDerWaalsContact O-CA 3.3Å; L65-L91 WeakPolarHBondContact O-CA 3.37Å; L78-L91 HydrophobicContact CB-CD1 4.14Å; L91-Q93 HydrophobicContact CD2-CG 3.5Å; L91-Q93 VanDerWaalsContact CD2-CG 3.5Å; L91-L104 HydrophobicContact CB-CD1 4.32Å; L91-L104 HydrophobicContact CB-CD2 3.59Å; L91-L104 HydrophobicContact CD1-CD2 3.4Å; L91-L104 VanDerWaalsContact CD1-CD2 3.4Å; L91-L104 HydrophobicContact CD2-CD2 4.46Å; L91-L104 HydrophobicContact CG-CD2 3.99Å; L91-S116 PolarHBondContact N-O 2.83Å; L91-L117 HydrophobicContact CB-CD2 3.77Å; L91-L117 HydrophobicContact CD2-CD2 3.33Å; L91-L117 HydrophobicContact CG-CD2 4.04Å; L91-Q118 PolarHBondContact O-N 2.72Å |
| 92 | Q | 84.1 | Confident | 73.3 | Confident | 44 Ų | 44 | 45.4 Ų | 45.4 | 21% | 0.206 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.3 | 178.5 | -171.6 | -179 | 51.5 | 0 | 0 | 109.3 | L65 Q66 Q67 Q118 | L65-Q92 PolarHBondContact O-N 2.86Å; Q66-Q92 CarbonylContact C-O 3.59Å; Q66-Q92 WeakPolarHBondContact CA-O 3.27Å; Q66-Q92 HydrophobicContact CG-CB 4.43Å; Q67-Q92 PolarHBondContact N-O 2.87Å; Q92-Q118 CarbonylContact C-O 3.54Å; Q92-Q118 WeakPolarHBondContact CA-O 3.48Å; Q92-Q118 HydrophobicContact CG-CB 4.43Å |
| 93 | Q | 77.9 | Confident | 74.2 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.7 | 174.3 | -60.5 | -69.2 | -44.4 | 0 | 0 | 110.1 | Q67 S76 L91 S102 Q118 Q119 R120 | Q67-Q93 VanDerWaalsContact CB-CD 3.48Å; S76-Q93 PolarHBondContact OG-NE2 2.96Å; S76-Q93 PolarHBondContact OG-OE1 3.16Å; L91-Q93 HydrophobicContact CD2-CG 3.5Å; L91-Q93 VanDerWaalsContact CD2-CG 3.5Å; Q93-S102 VanDerWaalsContact CG-OG 3.32Å; Q93-S102 WeakPolarHBondContact CG-OG 3.42Å; Q93-Q118 PolarHBondContact N-O 3.35Å; Q93-Q119 HydrophobicContact CB-CG 4.32Å; Q93-Q119 HydrophobicContact CG-CG 4.48Å; Q93-R120 PolarHBondContact O-N 2.8Å |
| 94 | R | 81.1 | Confident | 75.1 | Confident | 102 Ų | 102 | 40.5 Ų | 40.5 | 39% | 0.385 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 105.5 | 168.2 | -69.8 | -176.1 | 177.4 | -166.8 | -0.3 | 108.5 | Q67 R68 S69 R120 | Q67-R94 PolarHBondContact O-N 2.87Å; R68-R94 CarbonylContact C-O 3.55Å; R68-R94 VanDerWaalsContact CA-O 3.31Å; R68-R94 WeakPolarHBondContact CA-O 3.32Å; R68-R94 HydrophobicContact CG-CB 4.41Å; S69-R94 PolarHBondContact N-O 2.79Å; R94-R120 CarbonylContact C-O 3.56Å; R94-R120 WeakPolarHBondContact CA-O 3.39Å; R94-R120 HydrophobicContact CG-CB 4.34Å |
| 95 | S | 70.9 | Confident | 76.4 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.7 | 177.9 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | S69 S97 R120 S121 R122 | S69-S95 WeakPolarHBondContact O-CA 3.32Å; S95-S97 WeakPolarHBondContact CB-OG 3.28Å; S95-R120 PolarHBondContact N-O 3.03Å; S95-S121 WeakPolarHBondContact O-CA 3.43Å; S95-S121 WeakPolarHBondContact OG-CA 3.39Å; S95-S121 WeakPolarHBondContact OG-CB 3.38Å; S95-R122 PolarHBondContact O-N 3.05Å |
| 96 | R | 73.1 | Confident | 77.1 | Confident | 113 Ų | 113 | 36.8 Ų | 36.8 | 43% | 0.426 | 18% | 0.175 | S | C | . | . | trans | -113.8 | 75.7 | 162.8 | -64.7 | -174 | 176.8 | -176.2 | -4.4 | 106.4 | S69 R70 S71 R122 | S69-R96 PolarHBondContact O-N 3.12Å; R70-R96 HydrophobicContact CG-CB 4.3Å; S71-R96 PolarHBondContact N-O 2.85Å; R96-R122 HydrophobicContact CG-CB 4.43Å | ||
| 97 | S | 62.7 | Low | 77.4 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -160.4 | 161.7 | -167.9 | 66.9 | 0 | 0 | 0 | 0 | 111.5 | S71 Q72 S95 M99 S123 | S71-S97 WeakPolarHBondContact O-CA 3.35Å; S71-S97 WeakPolarHBondContact O-CB 3.42Å; Q72-S97 WeakPolarHBondContact O-CB 3.33Å; S95-S97 WeakPolarHBondContact CB-OG 3.28Å; S97-M99 VanDerWaalsContact C-N 3.35Å; S97-M99 PolarHBondContact O-N 2.97Å; S97-M99 PolarHBondContact OG-O 2.93Å; S97-S123 VanDerWaalsContact C-OG 3.23Å; S97-S123 PolarHBondContact N-OG 3.04Å; S97-S123 WeakPolarHBondContact O-CB 2.94Å; S97-S123 VanDerWaalsContact O-O 3.08Å; S97-S123 PolarHBondContact O-OG 2.91Å |
| 98 | Q | 66.2 | Low | 77 | Confident | 108 Ų | 108 | 38 Ų | 38 | 51% | 0.505 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -63.9 | -35.3 | 177.6 | -76.5 | -173.5 | -27.6 | 0 | 0 | 113.4 | Q72 M125 | Q72-Q98 PolarHBondContact O-N 2.89Å; Q98-M125 PolarHBondContact O-N 2.82Å |
| 99 | M | 74.1 | Confident | 76.3 | Confident | 50 Ų | 50 | 40.1 Ų | 40.1 | 25% | 0.246 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 136 | -174.3 | -167.9 | 178.6 | -69.9 | 0 | 0 | 112.9 | Q72 M73 S74 S97 Q101 M125 | Q72-M99 PolarHBondContact O-N 3.28Å; M73-M99 HydrophobicContact CE-SD 4.11Å; S74-M99 PolarHBondContact N-O 2.94Å; S97-M99 VanDerWaalsContact C-N 3.35Å; S97-M99 PolarHBondContact O-N 2.97Å; S97-M99 PolarHBondContact OG-O 2.93Å; M99-Q101 HydrophobicContact CG-CG 4.43Å; M99-Q101 HydrophobicContact SD-CG 4.44Å; M99-M125 WeakPolarHBondContact CA-O 3.43Å; M99-M125 HydrophobicContact CE-CE 3.81Å |
| 100 | S | 79.8 | Confident | 74.9 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.6 | 168.6 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | S74 M125 S126 Q127 | S74-S100 CarbonylContact O-C 3.54Å; S74-S100 WeakPolarHBondContact O-CA 3.46Å; S100-M125 PolarHBondContact N-O 2.99Å; S100-S126 WeakPolarHBondContact O-CA 2.85Å; S100-Q127 PolarHBondContact O-N 3.14Å |
| 101 | Q | 82.8 | Confident | 73.6 | Confident | 59 Ų | 59 | 48.4 Ų | 48.4 | 28% | 0.276 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 131.9 | 173.3 | -69.9 | -179.6 | -26.9 | 0 | 0 | 110.4 | S74 Q75 S76 M99 Q127 | S74-Q101 PolarHBondContact O-N 2.87Å; Q75-Q101 WeakPolarHBondContact CA-O 2.71Å; Q75-Q101 HydrophobicContact CG-CB 4.27Å; S76-Q101 PolarHBondContact N-O 2.86Å; M99-Q101 HydrophobicContact CG-CG 4.43Å; M99-Q101 HydrophobicContact SD-CG 4.44Å; Q101-Q127 CarbonylContact C-O 3.56Å; Q101-Q127 WeakPolarHBondContact CA-O 3.36Å; Q101-Q127 HydrophobicContact CG-CB 4.38Å |
| 102 | S | 82.5 | Confident | 72.4 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.4 | 173.3 | -49.1 | 0 | 0 | 0 | 0 | 112.6 | S76 Q93 Q119 Q127 S128 S129 | S76-S102 CarbonylContact O-C 3.58Å; S76-S102 VanDerWaalsContact O-CA 3.27Å; S76-S102 WeakPolarHBondContact O-CA 3.06Å; Q93-S102 VanDerWaalsContact CG-OG 3.32Å; Q93-S102 WeakPolarHBondContact CG-OG 3.42Å; S102-Q119 PolarHBondContact OG-NE2 3.37Å; S102-Q127 PolarHBondContact N-O 3.33Å; S102-S128 CarbonylContact O-C 3.6Å; S102-S128 WeakPolarHBondContact O-CA 3.11Å; S102-S129 PolarHBondContact O-N 2.96Å; S102-S129 PolarHBondContact O-OG 3.06Å |
| 103 | S | 84.2 | Confident | 71.6 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.4 | 173 | -166.9 | 0 | 0 | 0 | 0 | 110.3 | S76 S77 L78 S129 | S76-S103 PolarHBondContact O-N 2.85Å; S77-S103 CarbonylContact C-O 3.59Å; S77-S103 WeakPolarHBondContact CA-O 3.45Å; L78-S103 PolarHBondContact N-O 2.88Å; S103-S129 WeakPolarHBondContact CA-O 3.42Å; S103-S129 WeakPolarHBondContact CA-OG 3.45Å; S103-S129 WeakPolarHBondContact CB-OG 3.47Å; S103-S129 PolarHBondContact OG-OG 3.22Å |
| 104 | L | 84.1 | Confident | 71.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.1 | 161.8 | -45 | -172.7 | 0 | 0 | 0 | 109.6 | L78 L91 L117 S129 L130 Q131 | L78-L104 HydrophobicContact CB-CD2 3.6Å; L78-L104 HydrophobicContact CD1-CD2 4.39Å; L78-L104 HydrophobicContact CD2-CD2 4Å; L78-L104 HydrophobicContact CG-CD2 4.21Å; L78-L104 CarbonylContact O-C 3.58Å; L78-L104 WeakPolarHBondContact O-CA 3.36Å; L91-L104 HydrophobicContact CB-CD1 4.32Å; L91-L104 HydrophobicContact CB-CD2 3.59Å; L91-L104 HydrophobicContact CD1-CD2 3.4Å; L91-L104 VanDerWaalsContact CD1-CD2 3.4Å; L91-L104 HydrophobicContact CD2-CD2 4.46Å; L91-L104 HydrophobicContact CG-CD2 3.99Å; L104-L117 HydrophobicContact CD1-CD2 3.56Å; L104-L117 HydrophobicContact CD1-CG 3.73Å; L104-L117 HydrophobicContact CD2-CD2 3.7Å; L104-L117 HydrophobicContact CG-CD1 4.14Å; L104-L117 HydrophobicContact CG-CD2 3.45Å; L104-L117 VanDerWaalsContact CG-CD2 3.45Å; L104-L117 HydrophobicContact CG-CG 3.79Å; L104-S129 PolarHBondContact N-O 3.47Å; L104-L130 HydrophobicContact CB-CD2 3.58Å; L104-L130 HydrophobicContact CD1-CD2 3.48Å; L104-L130 VanDerWaalsContact CD1-CD2 3.48Å; L104-L130 HydrophobicContact CG-CD2 3.56Å; L104-Q131 PolarHBondContact O-N 2.93Å |
| 105 | Q | 82.6 | Confident | 71.2 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 112.8 | 168 | -170.6 | 176.2 | 67.5 | 0 | 0 | 109.6 | L78 Q79 Q80 Q131 | L78-Q105 PolarHBondContact O-N 2.89Å; Q79-Q105 CarbonylContact C-O 3.6Å; Q79-Q105 WeakPolarHBondContact CA-O 3.32Å; Q79-Q105 HydrophobicContact CG-CB 4.26Å; Q80-Q105 PolarHBondContact N-O 2.77Å; Q105-Q131 CarbonylContact C-O 3.58Å; Q105-Q131 WeakPolarHBondContact CA-O 3.43Å; Q105-Q131 HydrophobicContact CG-CB 4.44Å |
| 106 | Q | 74.8 | Confident | 71.7 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 127.1 | 170.8 | -61.3 | -67.2 | -33.6 | 0 | 0 | 109.8 | S87 S89 S115 Q131 Q132 R133 | S87-Q106 PolarHBondContact OG-OE1 2.9Å; S89-Q106 PolarHBondContact OG-NE2 3.25Å; Q106-S115 WeakPolarHBondContact CG-OG 2.85Å; Q106-Q131 PolarHBondContact N-O 3.3Å; Q106-Q132 HydrophobicContact CB-CG 4.35Å; Q106-R133 PolarHBondContact O-N 3.35Å |
| 107 | R | 71.8 | Confident | 72 | Confident | 93 Ų | 93 | 54 Ų | 54 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 109 | 166.7 | -69.2 | -178.5 | 178.4 | -111.2 | 2.8 | 108.1 | Q80 R81 S82 R133 | Q80-R107 PolarHBondContact O-N 2.82Å; R81-R107 WeakPolarHBondContact CA-O 3.41Å; R81-R107 HydrophobicContact CG-CB 4.23Å; S82-R107 PolarHBondContact N-O 3.05Å; R107-R133 HydrophobicContact CG-CB 4.46Å |
| 108 | S | 63.4 | Low | 72.9 | Confident | 11 Ų | 11 | 58 Ų | 58 | 8% | 0.077 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 143.2 | -179.5 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | S82 R133 | S82-S108 VanDerWaalsContact O-CA 3.32Å; S82-S108 WeakPolarHBondContact O-CA 3.2Å; S108-R133 PolarHBondContact N-O 2.93Å |
| 109 | R | 61.7 | Low | 73.3 | Confident | 122 Ų | 122 | 55 Ų | 55 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | trans | -113 | -2.1 | 176.4 | -139.9 | 177.9 | -177.1 | -171.1 | 4.7 | 114.9 | S82 R83 | S82-R109 PolarHBondContact O-N 3.46Å; R83-R109 HydrophobicContact CG-CB 4.34Å | ||
| 110 | P | 49.5 | Very low | 73.4 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -120.5 | -178.3 | 167.7 | -13.6 | 38.2 | 0 | 0 | 0 | 115.6 | P84 M112 | P84-P110 WeakPolarHBondContact O-CB 3.4Å; P84-P110 WeakPolarHBondContact O-CD 3.45Å; P84-P110 WeakPolarHBondContact O-CG 3.49Å; P110-M112 PolarHBondContact O-N 3.47Å |
| 111 | Q | 54.4 | Low | 72.8 | Confident | 180 Ų | 180 | 61.8 Ų | 61.8 | 84% | 0.841 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -48.6 | -40 | -157.4 | -80.6 | -164.5 | -27.1 | 0 | 0 | 119.4 | ||
| 112 | M | 57.7 | Low | 71.9 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 55% | 0.547 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 141.7 | -171.1 | -68.1 | -144 | -72.1 | 0 | 0 | 115.5 | Q85 M86 S87 P110 | Q85-M112 PolarHBondContact O-N 3.06Å; M86-M112 WeakPolarHBondContact CA-O 3.45Å; M86-M112 HydrophobicContact CG-CB 4.49Å; S87-M112 PolarHBondContact N-O 3.07Å; P110-M112 PolarHBondContact O-N 3.47Å |
| 113 | S | 68.8 | Low | 70.5 | Confident | 24 Ų | 24 | 70.6 Ų | 70.6 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 127.1 | 176.3 | 167.1 | 0 | 0 | 0 | 0 | 109.9 | Q132 | S113-Q132 PolarHBondContact OG-OE1 3.13Å |
| 114 | Q | 74.3 | Confident | 69.4 | Low | 116 Ų | 116 | 76.5 Ų | 76.5 | 54% | 0.542 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.7 | 173.4 | -73.8 | -176.3 | -15 | 0 | 0 | 110.2 | S87 Q88 S89 | S87-Q114 PolarHBondContact O-N 3.28Å; Q88-Q114 WeakPolarHBondContact CA-O 3.5Å; Q88-Q114 HydrophobicContact CG-CB 4.23Å; S89-Q114 PolarHBondContact N-O 3.15Å |
| 115 | S | 75.6 | Confident | 68.5 | Low | 27 Ų | 27 | 81.2 Ų | 81.2 | 19% | 0.189 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.8 | 178.7 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | S89 Q106 | S89-S115 WeakPolarHBondContact O-CA 3.49Å; Q106-S115 WeakPolarHBondContact CG-OG 2.85Å |
| 116 | S | 80.6 | Confident | 68.1 | Low | 66 Ų | 66 | 81.9 Ų | 81.9 | 46% | 0.462 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.3 | 173.7 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | S89 S90 L91 | S89-S116 PolarHBondContact O-N 3.26Å; S89-S116 PolarHBondContact O-OG 2.99Å; S90-S116 WeakPolarHBondContact CA-OG 3.47Å; S90-S116 WeakPolarHBondContact CB-OG 3.48Å; L91-S116 PolarHBondContact N-O 2.83Å |
| 117 | L | 80.8 | Confident | 68.3 | Low | 39 Ų | 39 | 87.7 Ų | 87.7 | 20% | 0.204 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.8 | 170.3 | -82.6 | -172.3 | 0 | 0 | 0 | 109.1 | L91 L104 L130 | L91-L117 HydrophobicContact CB-CD2 3.77Å; L91-L117 HydrophobicContact CD2-CD2 3.33Å; L91-L117 HydrophobicContact CG-CD2 4.04Å; L104-L117 HydrophobicContact CD1-CD2 3.56Å; L104-L117 HydrophobicContact CD1-CG 3.73Å; L104-L117 HydrophobicContact CD2-CD2 3.7Å; L104-L117 HydrophobicContact CG-CD1 4.14Å; L104-L117 HydrophobicContact CG-CD2 3.45Å; L104-L117 VanDerWaalsContact CG-CD2 3.45Å; L104-L117 HydrophobicContact CG-CG 3.79Å; L117-L130 HydrophobicContact CD1-CD1 4.3Å; L117-L130 HydrophobicContact CD1-CD2 3.47Å; L117-L130 VanDerWaalsContact CD1-CD2 3.47Å; L117-L130 HydrophobicContact CD1-CG 3.55Å; L117-L130 HydrophobicContact CG-CD1 4.32Å; L117-L130 HydrophobicContact CG-CD2 3.51Å; L117-L130 HydrophobicContact CG-CG 3.94Å |
| 118 | Q | 80.8 | Confident | 68.7 | Low | 89 Ų | 89 | 87 Ų | 87 | 42% | 0.416 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 115.9 | 169.8 | -169.7 | 178.1 | 54.1 | 0 | 0 | 109.5 | L91 Q92 Q93 | L91-Q118 PolarHBondContact O-N 2.72Å; Q92-Q118 CarbonylContact C-O 3.54Å; Q92-Q118 WeakPolarHBondContact CA-O 3.48Å; Q92-Q118 HydrophobicContact CG-CB 4.43Å; Q93-Q118 PolarHBondContact N-O 3.35Å |
| 119 | Q | 74.7 | Confident | 69.6 | Low | 44 Ų | 44 | 88.7 Ų | 88.7 | 21% | 0.206 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.2 | 174.2 | -64.8 | -176.1 | -12.9 | 0 | 0 | 109.6 | Q93 S102 Q127 | Q93-Q119 HydrophobicContact CB-CG 4.32Å; Q93-Q119 HydrophobicContact CG-CG 4.48Å; S102-Q119 PolarHBondContact OG-NE2 3.37Å; Q119-Q127 PolarHBondContact NE2-O 2.87Å |
| 120 | R | 75.5 | Confident | 70.5 | Confident | 147 Ų | 147 | 86.8 Ų | 86.8 | 56% | 0.555 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 107.2 | 169.7 | -75.6 | -175.6 | 170.6 | -167.8 | -2.4 | 108.4 | Q93 R94 S95 | Q93-R120 PolarHBondContact O-N 2.8Å; R94-R120 CarbonylContact C-O 3.56Å; R94-R120 WeakPolarHBondContact CA-O 3.39Å; R94-R120 HydrophobicContact CG-CB 4.34Å; S95-R120 PolarHBondContact N-O 3.03Å |
| 121 | S | 67 | Low | 71.9 | Confident | 47 Ų | 47 | 89.5 Ų | 89.5 | 33% | 0.329 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 142 | 172.8 | 50.8 | 0 | 0 | 0 | 0 | 109.7 | S95 S126 | S95-S121 WeakPolarHBondContact O-CA 3.43Å; S95-S121 WeakPolarHBondContact OG-CA 3.39Å; S95-S121 WeakPolarHBondContact OG-CB 3.38Å; S121-S126 WeakPolarHBondContact CB-OG 3.42Å; S121-S126 PolarHBondContact OG-OG 3.03Å |
| 122 | R | 65.2 | Low | 72.7 | Confident | 200 Ų | 200 | 85.4 Ų | 85.4 | 76% | 0.755 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -104.9 | 19.4 | 169.4 | -77.8 | -167.9 | 174.4 | -172 | -4.1 | 112.6 | S95 R96 | S95-R122 PolarHBondContact O-N 3.05Å; R96-R122 HydrophobicContact CG-CB 4.43Å |
| 123 | S | 53.9 | Low | 73.3 | Confident | 49 Ų | 49 | 87.7 Ų | 87.7 | 34% | 0.343 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -163 | 142 | 172.2 | 10.9 | 0 | 0 | 0 | 0 | 112.9 | S97 M125 | S97-S123 VanDerWaalsContact C-OG 3.23Å; S97-S123 PolarHBondContact N-OG 3.04Å; S97-S123 WeakPolarHBondContact O-CB 2.94Å; S97-S123 VanDerWaalsContact O-O 3.08Å; S97-S123 PolarHBondContact O-OG 2.91Å; S123-M125 PolarHBondContact O-N 2.66Å |
| 124 | Q | 60.2 | Low | 73.1 | Confident | 159 Ų | 159 | 90 Ų | 90 | 74% | 0.743 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 32.1 | -58.8 | 174.1 | -62.5 | -159.4 | -22.8 | 0 | 0 | 124 | ||
| 125 | M | 66 | Low | 72.5 | Confident | 100 Ų | 100 | 94.3 Ų | 94.3 | 49% | 0.493 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 138.6 | -166.6 | -73.1 | -172.2 | -78.6 | 0 | 0 | 115.4 | Q98 M99 S100 S123 | Q98-M125 PolarHBondContact O-N 2.82Å; M99-M125 WeakPolarHBondContact CA-O 3.43Å; M99-M125 HydrophobicContact CE-CE 3.81Å; S100-M125 PolarHBondContact N-O 2.99Å; S123-M125 PolarHBondContact O-N 2.66Å |
| 126 | S | 73.7 | Confident | 71.4 | Confident | 52 Ų | 52 | 98.4 Ų | 98.4 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 123.7 | 178.9 | -66.3 | 0 | 0 | 0 | 0 | 110.6 | S100 S121 | S100-S126 WeakPolarHBondContact O-CA 2.85Å; S121-S126 WeakPolarHBondContact CB-OG 3.42Å; S121-S126 PolarHBondContact OG-OG 3.03Å |
| 127 | Q | 79.2 | Confident | 70 | Confident | 124 Ų | 124 | 102.6 Ų | 102.6 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.2 | 175.6 | -72.8 | -175.2 | -20.2 | 0 | 0 | 110.2 | S100 Q101 S102 Q119 | S100-Q127 PolarHBondContact O-N 3.14Å; Q101-Q127 CarbonylContact C-O 3.56Å; Q101-Q127 WeakPolarHBondContact CA-O 3.36Å; Q101-Q127 HydrophobicContact CG-CB 4.38Å; S102-Q127 PolarHBondContact N-O 3.33Å; Q119-Q127 PolarHBondContact NE2-O 2.87Å |
| 128 | S | 79.2 | Confident | 68.1 | Low | 78 Ų | 78 | 108.7 Ų | 108.7 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.9 | 178.3 | 56 | 0 | 0 | 0 | 0 | 110.3 | S102 | S102-S128 CarbonylContact O-C 3.6Å; S102-S128 WeakPolarHBondContact O-CA 3.11Å |
| 129 | S | 82.6 | Confident | 66.3 | Low | 48 Ų | 48 | 109.8 Ų | 109.8 | 34% | 0.336 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.2 | 170.8 | 57.8 | 0 | 0 | 0 | 0 | 110.6 | S102 S103 L104 | S102-S129 PolarHBondContact O-N 2.96Å; S102-S129 PolarHBondContact O-OG 3.06Å; S103-S129 WeakPolarHBondContact CA-O 3.42Å; S103-S129 WeakPolarHBondContact CA-OG 3.45Å; S103-S129 WeakPolarHBondContact CB-OG 3.47Å; S103-S129 PolarHBondContact OG-OG 3.22Å; L104-S129 PolarHBondContact N-O 3.47Å |
| 130 | L | 79.9 | Confident | 64.2 | Low | 82 Ų | 82 | 116.2 Ų | 116.2 | 43% | 0.429 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 115.9 | 172 | -75.2 | 179.1 | 0 | 0 | 0 | 108.3 | L104 L117 | L104-L130 HydrophobicContact CB-CD2 3.58Å; L104-L130 HydrophobicContact CD1-CD2 3.48Å; L104-L130 VanDerWaalsContact CD1-CD2 3.48Å; L104-L130 HydrophobicContact CG-CD2 3.56Å; L117-L130 HydrophobicContact CD1-CD1 4.3Å; L117-L130 HydrophobicContact CD1-CD2 3.47Å; L117-L130 VanDerWaalsContact CD1-CD2 3.47Å; L117-L130 HydrophobicContact CD1-CG 3.55Å; L117-L130 HydrophobicContact CG-CD1 4.32Å; L117-L130 HydrophobicContact CG-CD2 3.51Å; L117-L130 HydrophobicContact CG-CG 3.94Å |
| 131 | Q | 79.5 | Confident | 62.1 | Low | 98 Ų | 98 | 118.1 Ų | 118.1 | 46% | 0.458 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.2 | 171.5 | -69.1 | -175.6 | 14.7 | 0 | 0 | 109.5 | L104 Q105 Q106 | L104-Q131 PolarHBondContact O-N 2.93Å; Q105-Q131 CarbonylContact C-O 3.58Å; Q105-Q131 WeakPolarHBondContact CA-O 3.43Å; Q105-Q131 HydrophobicContact CG-CB 4.44Å; Q106-Q131 PolarHBondContact N-O 3.3Å |
| 132 | Q | 72.1 | Confident | 61.8 | Low | 94 Ų | 94 | 121.7 Ų | 121.7 | 44% | 0.439 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.4 | 172.4 | -56.3 | -166.8 | 35.6 | 0 | 0 | 109 | Q106 S113 | Q106-Q132 HydrophobicContact CB-CG 4.35Å; S113-Q132 PolarHBondContact OG-OE1 3.13Å |
| 133 | R | 69.7 | Low | 61.6 | Low | 159 Ų | 159 | 117.6 Ų | 117.6 | 60% | 0.6 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.4 | 115.5 | 170.2 | -73.2 | -176.7 | 178.5 | -106.7 | 4.4 | 109.1 | Q106 R107 S108 | Q106-R133 PolarHBondContact O-N 3.35Å; R107-R133 HydrophobicContact CG-CB 4.46Å; S108-R133 PolarHBondContact N-O 2.93Å |
| 134 | S | 64.7 | Low | 62.1 | Low | 72 Ų | 72 | 121.4 Ų | 121.4 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.4 | 172.2 | -58.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 135 | R | 60.9 | Low | 62.2 | Low | 206 Ų | 206 | 119.2 Ų | 119.2 | 78% | 0.777 | 63% | 0.631 | S | S | * | * | trans | -116.2 | 107.3 | 167.3 | -87.5 | -169.6 | 174.2 | -143.1 | 1.9 | 107.6 | ||||
| 136 | P | 53.6 | Low | 61.9 | Low | 114 Ų | 114 | 120.4 Ų | 120.4 | 74% | 0.74 | 64% | 0.64 | S | S | * | * | trans | -61.4 | 137.7 | 170.5 | 25.3 | -30.7 | 0 | 0 | 0 | 109.1 | M138 | P136-M138 PolarHBondContact O-N 2.97Š| ||
| 137 | Q | 51.6 | Low | 61.1 | Low | 154 Ų | 154 | 124.9 Ų | 124.9 | 72% | 0.72 | 66% | 0.659 | S | S | * | * | trans | -80.9 | 95.3 | 164.2 | -67.4 | -136.5 | -83.9 | 0 | 0 | 107 | S139 | Q137-S139 PolarHBondContact O-N 2.69Š| ||
| 138 | M | 40.9 | Very low | 59.9 | Low | 167 Ų | 167 | 125 Ų | 125 | 82% | 0.823 | 66% | 0.664 | S | S | * | * | trans | -73.1 | 101.9 | 152.7 | -68.9 | -128.1 | -65 | 0 | 0 | 105.5 | P136 | P136-M138 PolarHBondContact O-N 2.97Š| ||
| 139 | S | 41.3 | Very low | 58.4 | Low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | trans | -83.4 | 112.9 | 160.9 | -153.9 | 0 | 0 | 0 | 0 | 105.6 | Q137 S141 | Q137-S139 PolarHBondContact O-N 2.69Å; S139-S141 PolarHBondContact O-N 3.14Å | ||
| 140 | Q | 31.6 | Very low | 56.3 | Low | 179 Ų | 179 | 135.3 Ų | 135.3 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | trans | -73.5 | 102.1 | 166.6 | -75.5 | -171 | -26 | 0 | 0 | 108.1 | ||||
| 141 | S | 30.5 | Very low | 54.2 | Low | 188 Ų | 188 | 140.2 Ų | 140.2 | 100% | 1.315 | 73% | 0.726 | S | S | * | * | trans | 165.6 | 0 | 150.3 | -79.1 | 0 | 0 | 0 | 0 | 108.2 | S139 | S139-S141 PolarHBondContact O-N 3.14Š|
Retrieved 141 of 141 residues in 68.5 ms
(Link to these results)