| 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 | 56.4 | Low | 63.1 | Low | 242 Ų | 242 | 132.2 Ų | 132.2 | 100% | 1.192 | 83% | 0.828 | S | S | * | * | 0 | 109.9 | 0 | -74.8 | 167 | 166.3 | 0 | 0 | 105.7 | |||||
| 2 | S | 56.6 | Low | 63.4 | Low | 120 Ų | 120 | 131.8 Ų | 131.8 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | trans | -85 | 114.5 | -172 | 39.6 | 0 | 0 | 0 | 0 | 110.2 | A4 | S2-A4 PolarHBondContact O-N 3.1Š| ||
| 3 | D | 51 | Low | 63.5 | Low | 166 Ų | 166 | 127.8 Ų | 127.8 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -66.6 | 117.7 | 167.8 | -88.5 | -71.1 | 0 | 0 | 0 | 109.5 | E5 | D3-E5 PolarHBondContact O-N 3.06Š| ||
| 4 | A | 61.2 | Low | 63.5 | Low | 96 Ų | 96 | 127.7 Ų | 127.7 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | -84.8 | 99.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | S2 A6 | S2-A4 PolarHBondContact O-N 3.1Å; A4-A6 PolarHBondContact O-N 2.94Å; A4-A6 VanDerWaalsContact O-N 3.17Å | ||
| 5 | E | 61.2 | Low | 63.5 | Low | 190 Ų | 190 | 128.7 Ų | 128.7 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -67.9 | 106.1 | 169.5 | -168.5 | 152.5 | 133.9 | 0 | 0 | 109.1 | D3 | D3-E5 PolarHBondContact O-N 3.06Š| ||
| 6 | A | 68.5 | Low | 62.9 | Low | 84 Ų | 84 | 124.1 Ų | 124.1 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 127.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | A4 S8 | A4-A6 PolarHBondContact O-N 2.94Å; A4-A6 VanDerWaalsContact O-N 3.17Å; A6-S8 PolarHBondContact O-N 3.15Å; A6-S8 VanDerWaalsContact O-N 3.15Å |
| 7 | P | 62 | Low | 62.9 | Low | 127 Ų | 127 | 126.6 Ų | 126.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 118.3 | 175.3 | 26.2 | -31.6 | 0 | 0 | 0 | 109.8 | A9 | P7-A9 PolarHBondContact O-N 3.1Š|
| 8 | S | 63 | Low | 62.7 | Low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 117.8 | 170.3 | -171.5 | 0 | 0 | 0 | 0 | 110 | A6 | A6-S8 PolarHBondContact O-N 3.15Å; A6-S8 VanDerWaalsContact O-N 3.15Å |
| 9 | A | 68.6 | Low | 62.5 | Low | 82 Ų | 82 | 128.2 Ų | 128.2 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 134.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P7 | P7-A9 PolarHBondContact O-N 3.1Š|
| 10 | P | 73.4 | Confident | 62.3 | Low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 148.6 | 176.6 | 27.3 | -33.6 | 0 | 0 | 0 | 110.3 | ||
| 11 | P | 72.1 | Confident | 62.5 | Low | 117 Ų | 117 | 127.7 Ų | 127.7 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 145.8 | 177.8 | 26.5 | -34.3 | 0 | 0 | 0 | 110.5 | A13 | P11-A13 PolarHBondContact O-N 3.15Š|
| 12 | P | 67.2 | Low | 63.2 | Low | 128 Ų | 128 | 125.5 Ų | 125.5 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 127.1 | 177.4 | 25.6 | -33.2 | 0 | 0 | 0 | 109.5 | ||
| 13 | A | 64.6 | Low | 64.4 | Low | 80 Ų | 80 | 124.7 Ų | 124.7 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -51 | 149.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P11 V15 | P11-A13 PolarHBondContact O-N 3.15Å; A13-V15 PolarHBondContact O-N 3.1Å |
| 14 | P | 62.9 | Low | 66.3 | Low | 126 Ų | 126 | 124.1 Ų | 124.1 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 118.5 | 172.3 | 26.5 | -32.9 | 0 | 0 | 0 | 107.9 | G16 | P14-G16 PolarHBondContact O-N 3.49Š|
| 15 | V | 64 | Low | 67.8 | Low | 142 Ų | 142 | 123.3 Ų | 123.3 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | trans | -53.9 | 106.1 | 169.7 | 179.7 | 0 | 0 | 0 | 0 | 105.9 | A13 D17 | A13-V15 PolarHBondContact O-N 3.1Å; V15-D17 PolarHBondContact O-N 2.81Å | ||
| 16 | G | 54.2 | Low | 69.3 | Low | 56 Ų | 56 | 118.7 Ų | 118.7 | 58% | 0.577 | 71% | 0.71 | S | S | * | * | trans | -53.9 | 133.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | P14 E18 | P14-G16 PolarHBondContact O-N 3.49Å; G16-E18 PolarHBondContact O-N 3.13Å | ||
| 17 | D | 62.4 | Low | 70.4 | Confident | 166 Ų | 166 | 115.7 Ų | 115.7 | 89% | 0.888 | 69% | 0.686 | S | S | * | * | trans | -57.5 | 90.8 | 162.9 | -74.6 | -52.9 | 0 | 0 | 0 | 106.9 | V15 P19 | V15-D17 PolarHBondContact O-N 2.81Å; D17-P19 VanDerWaalsContact O-N 3.11Å | ||
| 18 | E | 60 | Low | 71.9 | Confident | 170 Ų | 170 | 114.5 Ų | 114.5 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | trans | -47.2 | 120.5 | 166.1 | -80.5 | -86.2 | 142.4 | 0 | 0 | 106.3 | G16 Q20 | G16-E18 PolarHBondContact O-N 3.13Å; E18-Q20 PolarHBondContact O-N 3.33Å | ||
| 19 | P | 57.3 | Low | 73.3 | Confident | 114 Ų | 114 | 112.2 Ų | 112.2 | 74% | 0.74 | 66% | 0.664 | S | S | * | * | trans | -59.6 | 110.9 | -178.6 | 23.5 | -31.4 | 0 | 0 | 0 | 106.9 | D17 P21 | D17-P19 VanDerWaalsContact O-N 3.11Å; P19-P21 VanDerWaalsContact O-N 3.17Å | ||
| 20 | Q | 60 | Low | 74.6 | Confident | 155 Ų | 155 | 108.8 Ų | 108.8 | 72% | 0.724 | 64% | 0.635 | S | S | * | * | trans | -46.9 | 128.7 | 167.4 | -72.5 | -89 | -25.3 | 0 | 0 | 105.9 | E18 E22 | E18-Q20 PolarHBondContact O-N 3.33Å; Q20-E22 PolarHBondContact O-N 3.34Å; Q20-E22 VanDerWaalsContact O-N 3.07Å | ||
| 21 | P | 65.8 | Low | 75.6 | Confident | 90 Ų | 90 | 107.8 Ų | 107.8 | 58% | 0.584 | 62% | 0.621 | S | S | * | * | trans | -52.3 | 126.3 | -175.2 | 22 | -33.2 | 0 | 0 | 0 | 107.6 | P19 R23 | P19-P21 VanDerWaalsContact O-N 3.17Å; P21-R23 VanDerWaalsContact C-N 3.28Å; P21-R23 WeakPolarHBondContact O-CG 3.46Å; P21-R23 PolarHBondContact O-N 3.44Å | ||
| 22 | E | 70.9 | Confident | 76.8 | Confident | 196 Ų | 196 | 102.2 Ų | 102.2 | 92% | 0.916 | 58% | 0.584 | S | S | * | * | trans | -61.3 | 95.5 | 178.2 | -68.4 | -175.1 | 175.8 | 0 | 0 | 108 | Q20 | Q20-E22 PolarHBondContact O-N 3.34Å; Q20-E22 VanDerWaalsContact O-N 3.07Å | ||
| 23 | R | 82.4 | Confident | 78.2 | Confident | 104 Ų | 104 | 98.6 Ų | 98.6 | 39% | 0.392 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -81.5 | 132.6 | -177.5 | -54.4 | -170.9 | -176.8 | 173.5 | -5.5 | 108.3 | P21 V25 I85 E92 | P21-R23 VanDerWaalsContact C-N 3.28Å; P21-R23 WeakPolarHBondContact O-CG 3.46Å; P21-R23 PolarHBondContact O-N 3.44Å; R23-V25 PolarHBondContact O-N 2.98Å; R23-I85 HydrophobicContact CB-CG2 3.14Å; R23-I85 HydrophobicContact CG-CG2 4.15Å; R23-E92 IonicContact CZ-OE2 3.43Å; R23-E92 VanDerWaalsContact NH1-CD 3.28Å; R23-E92 IonicContact NH1-OE1 2.69Å; R23-E92 IonicContact NH1-OE2 3.77Å; R23-E92 PolarHBondContact NH1-OE2 3.33Å |
| 24 | K | 90.9 | Very high | 79.7 | Confident | 153 Ų | 153 | 95 Ų | 95 | 67% | 0.665 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -66 | 124.2 | -177.8 | -64.3 | 178 | -177.3 | 176.5 | 0 | 110.2 | I85 E86 | K24-I85 CarbonylContact O-C 3.5Å; K24-I85 WeakPolarHBondContact O-CA 3.12Å; K24-E86 HydrophobicContact CB-CB 4.39Å; K24-E86 PolarHBondContact O-N 3.09Å |
| 25 | V | 92.4 | Very high | 81.3 | Confident | 80 Ų | 80 | 94 Ų | 94 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 118.6 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | R23 A27 T28 D83 V84 I85 | R23-V25 PolarHBondContact O-N 2.98Å; V25-A27 WeakPolarHBondContact CG1-O 3.41Å; V25-T28 HydrophobicContact CG1-CG2 3.74Å; V25-D83 HydrophobicContact CG1-CB 4.41Å; V25-V84 CarbonylContact C-O 3.56Å; V25-I85 HydrophobicContact CG2-CD1 4.29Å; V25-I85 HydrophobicContact CG2-CG1 4.2Å |
| 26 | I | 92.7 | Very high | 82.9 | Confident | 92 Ų | 92 | 91.9 Ų | 91.9 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -41.1 | 179.5 | -58.6 | 162.7 | 0 | 0 | 0 | 110.4 | V84 E86 | I26-V84 HydrophobicContact CB-CB 4.44Å; I26-V84 HydrophobicContact CB-CG1 4.33Å; I26-V84 HydrophobicContact CD1-CG1 4.18Å; I26-V84 PolarHBondContact N-O 3.47Å; I26-E86 HydrophobicContact CD1-CB 3.77Å; I26-E86 HydrophobicContact CD1-CG 4.31Å; I26-E86 HydrophobicContact CG1-CB 4.04Å |
| 27 | A | 91.8 | Very high | 85 | Confident | 21 Ų | 21 | 89.7 Ų | 89.7 | 17% | 0.174 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 148.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V25 V30 D83 V84 | V25-A27 WeakPolarHBondContact CG1-O 3.41Å; A27-V30 HydrophobicContact CB-CG2 3.61Å; A27-D83 CarbonylContact O-C 3.6Å; A27-D83 WeakPolarHBondContact O-CA 3.47Å; A27-V84 HydrophobicContact CB-CB 4.17Å; A27-V84 HydrophobicContact CB-CG2 4.18Å; A27-V84 PolarHBondContact N-O 3.46Å; A27-V84 PolarHBondContact O-N 2.92Å |
| 28 | T | 93.4 | Very high | 86.6 | Confident | 102 Ų | 102 | 84.5 Ų | 84.5 | 63% | 0.626 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 147.8 | -179.8 | 50.9 | 0 | 0 | 0 | 0 | 111 | V25 V30 D83 | V25-T28 HydrophobicContact CG1-CG2 3.74Å; T28-V30 VanDerWaalsContact C-N 3.26Å; T28-V30 PolarHBondContact O-N 2.93Å; T28-V30 VanDerWaalsContact O-N 3.15Å; T28-D83 WeakPolarHBondContact CA-OD1 3.46Å |
| 29 | A | 92.4 | Very high | 88.3 | Confident | 70 Ų | 70 | 77.5 Ų | 77.5 | 58% | 0.579 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50 | 40.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | F82 D83 | A29-F82 PolarHBondContact N-O 3.23Å; A29-D83 PolarHBondContact N-OD1 3.34Å |
| 30 | V | 94.9 | Very high | 90.1 | Very high | 10 Ų | 10 | 83.1 Ų | 83.1 | 6% | 0.061 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 139.9 | 178.8 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | A27 T28 R48 D50 E81 F82 V84 | A27-V30 HydrophobicContact CB-CG2 3.61Å; T28-V30 VanDerWaalsContact C-N 3.26Å; T28-V30 PolarHBondContact O-N 2.93Å; T28-V30 VanDerWaalsContact O-N 3.15Å; V30-R48 HydrophobicContact CG1-CG 4.14Å; V30-D50 WeakPolarHBondContact CG1-OD2 3.41Å; V30-E81 CarbonylContact O-C 3.6Å; V30-E81 WeakPolarHBondContact O-CA 3.32Å; V30-F82 HydrophobicContact CG1-CZ 4.43Å; V30-F82 PolarHBondContact N-O 2.8Å; V30-F82 WeakPolarHBondContact O-CD1 3.28Å; V30-F82 PolarHBondContact O-N 3.34Å; V30-V84 HydrophobicContact CB-CG2 4.5Å; V30-V84 HydrophobicContact CG2-CG2 4.24Å |
| 31 | Q | 95.7 | Very high | 91.8 | Very high | 91 Ų | 91 | 79.3 Ų | 79.3 | 43% | 0.425 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 139.7 | 172.8 | -71.7 | -175.6 | -8.7 | 0 | 0 | 111.9 | N49 V80 E81 | Q31-N49 PolarHBondContact O-N 2.79Å; Q31-N49 VanDerWaalsContact O-N 3.15Å; Q31-V80 WeakPolarHBondContact CA-O 3.2Å; Q31-E81 HydrophobicContact CG-CG 3.61Å; Q31-E81 PolarHBondContact NE2-OE1 3.11Å |
| 32 | G | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 167.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N47 V79 V80 | G32-N47 CarbonylContact C-O 3.53Å; G32-N47 WeakPolarHBondContact CA-O 3.48Å; G32-V79 CarbonylContact O-C 3.54Å; G32-V79 WeakPolarHBondContact O-CA 3.4Å; G32-V80 PolarHBondContact N-O 3.14Å; G32-V80 PolarHBondContact O-N 2.76Å |
| 33 | T | 96.8 | Very high | 94.5 | Very high | 53 Ų | 53 | 69.6 Ų | 69.6 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.3 | 177.5 | 49.2 | 0 | 0 | 0 | 0 | 109.9 | K35 I46 N47 V79 | T33-K35 PolarHBondContact O-N 3.46Å; T33-I46 CarbonylContact O-C 3.53Å; T33-N47 PolarHBondContact N-O 2.8Å; T33-N47 PolarHBondContact O-N 2.78Å; T33-V79 HydrophobicContact CG2-CG2 4.09Å |
| 34 | V | 97.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 118 | -179.6 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | F37 I46 V74 G75 G77 E78 V80 | V34-F37 HydrophobicContact CG1-CB 4.42Å; V34-I46 HydrophobicContact CG2-CG1 4.03Å; V34-V74 HydrophobicContact CB-CG1 4.32Å; V34-V74 HydrophobicContact CG1-CB 4.43Å; V34-V74 HydrophobicContact CG1-CG1 4.36Å; V34-V74 HydrophobicContact CG2-CB 4.2Å; V34-V74 HydrophobicContact CG2-CG1 3.36Å; V34-G75 VanDerWaalsContact CB-O 3.29Å; V34-G75 WeakPolarHBondContact CB-O 3.46Å; V34-G75 WeakPolarHBondContact CG1-O 3.42Å; V34-G77 WeakPolarHBondContact O-CA 3.15Å; V34-G77 PolarHBondContact O-N 2.69Å; V34-E78 HydrophobicContact CG2-CB 4.4Å; V34-E78 WeakPolarHBondContact CG2-O 3.29Å; V34-E78 PolarHBondContact N-O 3.49Å; V34-V80 HydrophobicContact CG2-CG1 4.04Å; V34-V80 HydrophobicContact CG2-CG2 3.81Å |
| 35 | K | 96.6 | Very high | 95.5 | Very high | 106 Ų | 106 | 60.2 Ų | 60.2 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | -51.6 | 179.5 | -163.7 | -173.7 | -167.9 | 164 | 0 | 110 | T33 F45 D54 | T33-K35 PolarHBondContact O-N 3.46Å; K35-F45 HydrophobicContact CB-CB 4.44Å; K35-F45 WeakPolarHBondContact CB-O 3.33Å; K35-F45 PolarHBondContact N-O 3.19Å; K35-D54 IonicContact NZ-OD1 3.53Å; K35-D54 PolarHBondContact NZ-OD1 3.49Å; K35-D54 IonicContact NZ-OD2 2.66Å; K35-D54 PolarHBondContact NZ-OD2 2.76Å |
| 36 | W | 97.1 | Very high | 95.7 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 37% | 0.371 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 153.1 | 175.5 | 54.5 | -95 | 0 | 0 | 0 | 110.2 | N38 Y43 G44 F45 D76 | W36-N38 HydrophobicContact CZ3-CB 4.33Å; W36-Y43 AromaticContact CH2-CD2 3.9Å; W36-Y43 HydrophobicContact CH2-CD2 3.9Å; W36-Y43 AromaticContact CH2-CE2 3.67Å; W36-Y43 HydrophobicContact CH2-CE2 3.67Å; W36-Y43 AromaticContact CZ3-CD2 3.83Å; W36-Y43 HydrophobicContact CZ3-CD2 3.83Å; W36-Y43 AromaticContact CZ3-CE2 3.78Å; W36-Y43 HydrophobicContact CZ3-CE2 3.78Å; W36-G44 CarbonylContact O-C 3.51Å; W36-G44 WeakPolarHBondContact O-CA 3.23Å; W36-F45 AromaticContact CE2-CD2 3.68Å; W36-F45 AromaticContact CH2-CD2 3.54Å; W36-F45 HydrophobicContact CH2-CD2 3.54Å; W36-F45 AromaticContact CH2-CE2 3.68Å; W36-F45 HydrophobicContact CH2-CE2 3.68Å; W36-F45 AromaticContact CZ2-CD2 3.15Å; W36-F45 HydrophobicContact CZ2-CD2 3.15Å; W36-F45 AromaticContact CZ2-CE2 3.48Å; W36-F45 HydrophobicContact CZ2-CE2 3.48Å; W36-F45 VanDerWaalsContact CZ2-CE2 3.48Å; W36-F45 HydrophobicContact CZ2-CG 4.3Å; W36-F45 HydrophobicContact CZ3-CD2 4.4Å; W36-F45 PolarHBondContact N-O 2.79Å; W36-F45 PolarHBondContact O-N 3.28Å; W36-D76 WeakPolarHBondContact CA-OD1 3.27Å |
| 37 | F | 97.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 121.3 | 173.1 | -173.4 | -91.6 | 0 | 0 | 0 | 111.7 | V34 V39 V57 Q59 I62 S73 V74 D76 | V34-F37 HydrophobicContact CG1-CB 4.42Å; F37-V39 HydrophobicContact CD1-CG2 4.05Å; F37-V39 HydrophobicContact CE1-CG2 4.29Å; F37-V39 PolarHBondContact O-N 2.75Å; F37-V57 HydrophobicContact CD2-CG1 4.37Å; F37-Q59 HydrophobicContact CZ-CB 4.36Å; F37-I62 HydrophobicContact CE2-CD1 4.44Å; F37-I62 HydrophobicContact CZ-CD1 4.41Å; F37-S73 VanDerWaalsContact CE1-CA 3.49Å; F37-S73 VanDerWaalsContact CE1-CB 3.49Å; F37-V74 HydrophobicContact CD2-CG2 4.45Å; F37-D76 PolarHBondContact N-OD1 3.43Å |
| 38 | N | 97.2 | Very high | 96.1 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 31% | 0.305 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 105.8 | 175.4 | -173.1 | -23.7 | 0 | 0 | 0 | 110.5 | W36 R40 N41 G42 Y43 | W36-N38 HydrophobicContact CZ3-CB 4.33Å; N38-R40 VanDerWaalsContact C-N 3.27Å; N38-R40 PolarHBondContact O-N 3.17Å; N38-R40 WeakPolarHBondContact OD1-CB 3.4Å; N38-R40 PolarHBondContact OD1-N 2.89Å; N38-N41 HydrophobicContact CB-CB 4.43Å; N38-N41 PolarHBondContact ND2-ND2 3.27Å; N38-N41 PolarHBondContact O-N 3.34Å; N38-N41 PolarHBondContact OD1-N 2.84Å; N38-G42 WeakPolarHBondContact O-CA 3.38Å; N38-G42 PolarHBondContact O-N 2.94Å; N38-Y43 PolarHBondContact N-O 3.43Å; N38-Y43 PolarHBondContact O-N 3.48Å |
| 39 | V | 95.8 | Very high | 96 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -29.8 | -179.7 | -176.7 | 0 | 0 | 0 | 0 | 113.3 | F37 L71 S107 A110 | F37-V39 HydrophobicContact CD1-CG2 4.05Å; F37-V39 HydrophobicContact CE1-CG2 4.29Å; F37-V39 PolarHBondContact O-N 2.75Å; V39-L71 HydrophobicContact CG1-CD1 3.68Å; V39-S107 VanDerWaalsContact CG2-OG 3.31Å; V39-S107 WeakPolarHBondContact CG2-OG 3.29Å; V39-A110 HydrophobicContact CG1-CB 4.1Å |
| 40 | R | 94.6 | Very high | 95.8 | Very high | 233 Ų | 233 | 55.1 Ų | 55.1 | 88% | 0.879 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -43 | -179.1 | -175.8 | 179 | -179.1 | -172.3 | -1 | 110.9 | N38 | N38-R40 VanDerWaalsContact C-N 3.27Å; N38-R40 PolarHBondContact O-N 3.17Å; N38-R40 WeakPolarHBondContact OD1-CB 3.4Å; N38-R40 PolarHBondContact OD1-N 2.89Å |
| 41 | N | 95.9 | Very high | 95.5 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -17.9 | -178.3 | -57.9 | -3.8 | 0 | 0 | 0 | 112.5 | N38 Y43 | N38-N41 HydrophobicContact CB-CB 4.43Å; N38-N41 PolarHBondContact ND2-ND2 3.27Å; N38-N41 PolarHBondContact O-N 3.34Å; N38-N41 PolarHBondContact OD1-N 2.84Å; N41-Y43 HydrophobicContact CB-CD1 3.44Å; N41-Y43 VanDerWaalsContact CB-CD1 3.44Å; N41-Y43 HydrophobicContact CB-CE1 3.13Å; N41-Y43 HydrophobicContact CB-CG 4.41Å; N41-Y43 WeakPolarHBondContact ND2-CE1 3.25Å; N41-Y43 PolarHBondContact ND2-OH 2.9Å |
| 42 | G | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 22.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N38 H58 Q59 | N38-G42 WeakPolarHBondContact O-CA 3.38Å; N38-G42 PolarHBondContact O-N 2.94Å; G42-H58 CarbonylContact O-C 3.56Å; G42-H58 PolarHBondContact O-CD2 3.14Å; G42-Q59 WeakPolarHBondContact O-CB 3.04Å; G42-Q59 PolarHBondContact O-N 2.91Å |
| 43 | Y | 96.5 | Very high | 95.1 | Very high | 82 Ų | 82 | 66 Ų | 66 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 161.7 | 177.7 | 66.5 | -103.2 | 0 | 0 | 0 | 112.5 | W36 N38 N41 F56 V57 | W36-Y43 AromaticContact CH2-CD2 3.9Å; W36-Y43 HydrophobicContact CH2-CD2 3.9Å; W36-Y43 AromaticContact CH2-CE2 3.67Å; W36-Y43 HydrophobicContact CH2-CE2 3.67Å; W36-Y43 AromaticContact CZ3-CD2 3.83Å; W36-Y43 HydrophobicContact CZ3-CD2 3.83Å; W36-Y43 AromaticContact CZ3-CE2 3.78Å; W36-Y43 HydrophobicContact CZ3-CE2 3.78Å; N38-Y43 PolarHBondContact N-O 3.43Å; N38-Y43 PolarHBondContact O-N 3.48Å; N41-Y43 HydrophobicContact CB-CD1 3.44Å; N41-Y43 VanDerWaalsContact CB-CD1 3.44Å; N41-Y43 HydrophobicContact CB-CE1 3.13Å; N41-Y43 HydrophobicContact CB-CG 4.41Å; N41-Y43 WeakPolarHBondContact ND2-CE1 3.25Å; N41-Y43 PolarHBondContact ND2-OH 2.9Å; Y43-F56 HydrophobicContact CD2-CE2 4.24Å; Y43-F56 HydrophobicContact CG-CE2 4.18Å; Y43-V57 CarbonylContact C-O 3.52Å; Y43-V57 VanDerWaalsContact CA-O 3.24Å; Y43-V57 WeakPolarHBondContact CA-O 3.35Å |
| 44 | G | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | -169.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W36 V57 | W36-G44 CarbonylContact O-C 3.51Å; W36-G44 WeakPolarHBondContact O-CA 3.23Å; G44-V57 PolarHBondContact N-O 2.83Å; G44-V57 WeakPolarHBondContact O-CG1 3.33Å; G44-V57 PolarHBondContact O-N 3.24Å |
| 45 | F | 97.1 | Very high | 95 | Very high | 60 Ų | 60 | 66.6 Ų | 66.6 | 26% | 0.263 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.4 | 173.5 | -73.1 | -97 | 0 | 0 | 0 | 110.9 | K35 W36 D54 V55 F56 | K35-F45 HydrophobicContact CB-CB 4.44Å; K35-F45 WeakPolarHBondContact CB-O 3.33Å; K35-F45 PolarHBondContact N-O 3.19Å; W36-F45 AromaticContact CE2-CD2 3.68Å; W36-F45 AromaticContact CH2-CD2 3.54Å; W36-F45 HydrophobicContact CH2-CD2 3.54Å; W36-F45 AromaticContact CH2-CE2 3.68Å; W36-F45 HydrophobicContact CH2-CE2 3.68Å; W36-F45 AromaticContact CZ2-CD2 3.15Å; W36-F45 HydrophobicContact CZ2-CD2 3.15Å; W36-F45 AromaticContact CZ2-CE2 3.48Å; W36-F45 HydrophobicContact CZ2-CE2 3.48Å; W36-F45 VanDerWaalsContact CZ2-CE2 3.48Å; W36-F45 HydrophobicContact CZ2-CG 4.3Å; W36-F45 HydrophobicContact CZ3-CD2 4.4Å; W36-F45 PolarHBondContact N-O 2.79Å; W36-F45 PolarHBondContact O-N 3.28Å; F45-D54 HydrophobicContact CD1-CB 4.08Å; F45-V55 CarbonylContact C-O 3.6Å; F45-V55 WeakPolarHBondContact CA-O 3.33Å; F45-F56 HydrophobicContact CE1-CB 4.14Å; F45-F56 HydrophobicContact CE1-CD2 4.25Å; F45-F56 HydrophobicContact CE2-CD2 4.26Å; F45-F56 AromaticContact CZ-CD2 3.97Å; F45-F56 HydrophobicContact CZ-CD2 3.97Å |
| 46 | I | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.7 | 175.9 | -56.3 | 165.9 | 0 | 0 | 0 | 107.4 | T33 V34 V55 V57 V80 F82 A93 V96 | T33-I46 CarbonylContact O-C 3.53Å; V34-I46 HydrophobicContact CG2-CG1 4.03Å; I46-V55 PolarHBondContact N-O 3.37Å; I46-V55 PolarHBondContact O-N 2.86Å; I46-V57 HydrophobicContact CD1-CB 3.8Å; I46-V57 HydrophobicContact CD1-CG1 3.96Å; I46-V57 HydrophobicContact CD1-CG2 4.08Å; I46-V57 HydrophobicContact CG1-CB 4.16Å; I46-V57 HydrophobicContact CG1-CG1 3.8Å; I46-V80 HydrophobicContact CD1-CG2 3.86Å; I46-V80 HydrophobicContact CG1-CG2 4.32Å; I46-V80 HydrophobicContact CG2-CG2 3.94Å; I46-F82 HydrophobicContact CB-CE1 4.3Å; I46-F82 HydrophobicContact CB-CZ 4.25Å; I46-F82 HydrophobicContact CD1-CD1 4.22Å; I46-F82 HydrophobicContact CD1-CE1 4.36Å; I46-F82 HydrophobicContact CD1-CG 4.46Å; I46-F82 HydrophobicContact CG2-CD1 4.27Å; I46-F82 HydrophobicContact CG2-CE1 3.46Å; I46-F82 VanDerWaalsContact CG2-CE1 3.46Å; I46-F82 HydrophobicContact CG2-CZ 3.76Å; I46-A93 HydrophobicContact CD1-CB 4.22Å; I46-V96 HydrophobicContact CD1-CG1 4.37Å; I46-V96 HydrophobicContact CD1-CG2 4.45Å |
| 47 | N | 96.6 | Very high | 95 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 22% | 0.219 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 122.6 | 168.5 | -95.7 | -78.5 | 0 | 0 | 0 | 109.3 | G32 T33 D54 | G32-N47 CarbonylContact C-O 3.53Å; G32-N47 WeakPolarHBondContact CA-O 3.48Å; T33-N47 PolarHBondContact N-O 2.8Å; T33-N47 PolarHBondContact O-N 2.78Å; N47-D54 PolarHBondContact ND2-OD1 3.01Å; N47-D54 PolarHBondContact OD1-OD1 3.5Å |
| 48 | R | 95.6 | Very high | 95 | Very high | 27 Ų | 27 | 61.7 Ų | 61.7 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 133.6 | 168.8 | -73.1 | 178.8 | 69.4 | 179.4 | 6 | 109.5 | V30 D50 T51 K52 E53 V55 F82 | V30-R48 HydrophobicContact CG1-CG 4.14Å; R48-D50 VanDerWaalsContact C-N 3.27Å; R48-D50 PolarHBondContact O-N 3.14Å; R48-T51 PolarHBondContact NE-OG1 2.74Å; R48-K52 WeakPolarHBondContact O-CA 3.33Å; R48-K52 PolarHBondContact O-N 2.75Å; R48-K52 VanDerWaalsContact O-N 3.1Å; R48-E53 PolarHBondContact N-O 3.17Å; R48-E53 IonicContact NH1-OE2 3.48Å; R48-E53 PolarHBondContact NH1-OE2 2.88Å; R48-V55 HydrophobicContact CG-CG2 3.65Å; R48-F82 HydrophobicContact CG-CE2 4.27Å; R48-F82 HydrophobicContact CG-CZ 3.78Å |
| 49 | N | 91.3 | Very high | 94.9 | Very high | 78 Ų | 78 | 62.5 Ų | 62.5 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -26.7 | 176.1 | -66 | -19.2 | 0 | 0 | 0 | 111.7 | Q31 | Q31-N49 PolarHBondContact O-N 2.79Å; Q31-N49 VanDerWaalsContact O-N 3.15Å |
| 50 | D | 88.7 | Confident | 94.9 | Very high | 111 Ų | 111 | 66.2 Ų | 66.2 | 59% | 0.594 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -62.6 | -177.6 | -50.8 | -32.1 | 0 | 0 | 0 | 112.4 | V30 R48 | V30-D50 WeakPolarHBondContact CG1-OD2 3.41Å; R48-D50 VanDerWaalsContact C-N 3.27Å; R48-D50 PolarHBondContact O-N 3.14Å |
| 51 | T | 89.6 | Confident | 94.9 | Very high | 67 Ų | 67 | 55.8 Ų | 55.8 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -6.8 | -173.8 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | R48 E53 | R48-T51 PolarHBondContact NE-OG1 2.74Å; T51-E53 WeakPolarHBondContact CB-OE2 3.37Å; T51-E53 PolarHBondContact O-N 2.73Å; T51-E53 VanDerWaalsContact O-N 3.13Å; T51-E53 PolarHBondContact OG1-OE2 3.33Å |
| 52 | K | 91.6 | Very high | 94.9 | Very high | 169 Ų | 169 | 52.3 Ų | 52.3 | 74% | 0.735 | 26% | 0.26 | S | S | * | . | trans | 55.2 | 22.6 | -172.5 | -58.3 | 176.2 | -177.1 | 170.6 | 0 | 113.7 | R48 | R48-K52 WeakPolarHBondContact O-CA 3.33Å; R48-K52 PolarHBondContact O-N 2.75Å; R48-K52 VanDerWaalsContact O-N 3.1Å | ||
| 53 | E | 92.4 | Very high | 94.8 | Very high | 95 Ų | 95 | 58.4 Ų | 58.4 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 141.9 | 175.1 | -67.1 | 166.7 | 156.1 | 0 | 0 | 110.3 | R48 T51 V55 | R48-E53 PolarHBondContact N-O 3.17Å; R48-E53 IonicContact NH1-OE2 3.48Å; R48-E53 PolarHBondContact NH1-OE2 2.88Å; T51-E53 WeakPolarHBondContact CB-OE2 3.37Å; T51-E53 PolarHBondContact O-N 2.73Å; T51-E53 VanDerWaalsContact O-N 3.13Å; T51-E53 PolarHBondContact OG1-OE2 3.33Å; E53-V55 PolarHBondContact O-N 3.14Å |
| 54 | D | 94.8 | Very high | 94.7 | Very high | 68 Ų | 68 | 59.5 Ų | 59.5 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 117.5 | 172.6 | -81.7 | -31.2 | 0 | 0 | 0 | 109.2 | K35 F45 N47 | K35-D54 IonicContact NZ-OD1 3.53Å; K35-D54 PolarHBondContact NZ-OD1 3.49Å; K35-D54 IonicContact NZ-OD2 2.66Å; K35-D54 PolarHBondContact NZ-OD2 2.76Å; F45-D54 HydrophobicContact CD1-CB 4.08Å; N47-D54 PolarHBondContact ND2-OD1 3.01Å; N47-D54 PolarHBondContact OD1-OD1 3.5Å |
| 55 | V | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130.6 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | F45 I46 R48 E53 F82 A93 | F45-V55 CarbonylContact C-O 3.6Å; F45-V55 WeakPolarHBondContact CA-O 3.33Å; I46-V55 PolarHBondContact N-O 3.37Å; I46-V55 PolarHBondContact O-N 2.86Å; R48-V55 HydrophobicContact CG-CG2 3.65Å; E53-V55 PolarHBondContact O-N 3.14Å; V55-F82 HydrophobicContact CB-CE2 4.03Å; V55-F82 HydrophobicContact CB-CZ 4.46Å; V55-F82 HydrophobicContact CG1-CE2 3.92Å; V55-F82 HydrophobicContact CG2-CE2 4.05Å; V55-F82 HydrophobicContact CG2-CZ 4.43Å; V55-A93 HydrophobicContact CG1-CB 3.74Å; V55-A93 VanDerWaalsContact CG1-N 3.31Å |
| 56 | F | 96.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 59.5 Ų | 59.5 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 133.9 | 177.8 | 176.4 | -106.4 | 0 | 0 | 0 | 110.7 | Y43 F45 H58 S91 E92 A93 | Y43-F56 HydrophobicContact CD2-CE2 4.24Å; Y43-F56 HydrophobicContact CG-CE2 4.18Å; F45-F56 HydrophobicContact CE1-CB 4.14Å; F45-F56 HydrophobicContact CE1-CD2 4.25Å; F45-F56 HydrophobicContact CE2-CD2 4.26Å; F45-F56 AromaticContact CZ-CD2 3.97Å; F45-F56 HydrophobicContact CZ-CD2 3.97Å; F56-H58 HydrophobicContact CE1-CB 4.06Å; F56-H58 HydrophobicContact CZ-CB 4.4Å; F56-S91 PolarHBondContact N-O 3.09Å; F56-E92 HydrophobicContact CD1-CB 4.45Å; F56-E92 HydrophobicContact CD1-CG 4Å; F56-E92 CarbonylContact O-C 3.59Å; F56-E92 WeakPolarHBondContact O-CA 3.38Å; F56-A93 PolarHBondContact O-N 2.85Å |
| 57 | V | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 131.6 | 175.1 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | F37 Y43 G44 I46 A93 V96 | F37-V57 HydrophobicContact CD2-CG1 4.37Å; Y43-V57 CarbonylContact C-O 3.52Å; Y43-V57 VanDerWaalsContact CA-O 3.24Å; Y43-V57 WeakPolarHBondContact CA-O 3.35Å; G44-V57 PolarHBondContact N-O 2.83Å; G44-V57 WeakPolarHBondContact O-CG1 3.33Å; G44-V57 PolarHBondContact O-N 3.24Å; I46-V57 HydrophobicContact CD1-CB 3.8Å; I46-V57 HydrophobicContact CD1-CG1 3.96Å; I46-V57 HydrophobicContact CD1-CG2 4.08Å; I46-V57 HydrophobicContact CG1-CB 4.16Å; I46-V57 HydrophobicContact CG1-CG1 3.8Å; V57-A93 HydrophobicContact CB-CB 4.21Å; V57-A93 HydrophobicContact CG2-CB 4.47Å; V57-V96 HydrophobicContact CG2-CG2 3.9Å |
| 58 | H | 96.9 | Very high | 93.8 | Very high | 55 Ų | 55 | 68.7 Ų | 68.7 | 26% | 0.255 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 155.8 | 172.9 | -168.1 | -112.7 | 0 | 0 | 0 | 111.7 | G42 F56 T60 A61 | G42-H58 CarbonylContact O-C 3.56Å; G42-H58 PolarHBondContact O-CD2 3.14Å; F56-H58 HydrophobicContact CE1-CB 4.06Å; F56-H58 HydrophobicContact CZ-CB 4.4Å; H58-T60 PolarHBondContact ND1-N 2.88Å; H58-T60 PolarHBondContact ND1-OG1 2.78Å; H58-T60 PolarHBondContact O-N 3.12Å; H58-T60 VanDerWaalsContact O-N 3.14Å; H58-A61 VanDerWaalsContact O-CB 3.32Å; H58-A61 WeakPolarHBondContact O-CB 3.38Å; H58-A61 PolarHBondContact O-N 2.77Å |
| 59 | Q | 96 | Very high | 93.7 | Very high | 73 Ų | 73 | 68.5 Ų | 68.5 | 34% | 0.341 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.3 | -179.6 | 62.6 | 171.8 | 13 | 0 | 0 | 113.6 | F37 G42 R72 | F37-Q59 HydrophobicContact CZ-CB 4.36Å; G42-Q59 WeakPolarHBondContact O-CB 3.04Å; G42-Q59 PolarHBondContact O-N 2.91Å; Q59-R72 HydrophobicContact CB-CB 4.34Å; Q59-R72 VanDerWaalsContact O-CD 3.29Å; Q59-R72 WeakPolarHBondContact O-CD 3.39Å |
| 60 | T | 95.2 | Very high | 93.6 | Very high | 102 Ų | 102 | 70.9 Ų | 70.9 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -27.2 | 177.3 | 53.9 | 0 | 0 | 0 | 0 | 112.1 | H58 I62 | H58-T60 PolarHBondContact ND1-N 2.88Å; H58-T60 PolarHBondContact ND1-OG1 2.78Å; H58-T60 PolarHBondContact O-N 3.12Å; H58-T60 VanDerWaalsContact O-N 3.14Å; T60-I62 PolarHBondContact O-N 3.43Å |
| 61 | A | 95.2 | Very high | 93.8 | Very high | 14 Ų | 14 | 68.5 Ų | 68.5 | 12% | 0.116 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -17.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | H58 K63 A93 N95 V96 | H58-A61 VanDerWaalsContact O-CB 3.32Å; H58-A61 WeakPolarHBondContact O-CB 3.38Å; H58-A61 PolarHBondContact O-N 2.77Å; A61-K63 PolarHBondContact O-N 2.75Å; A61-K63 VanDerWaalsContact O-N 3.11Å; A61-A93 WeakPolarHBondContact CB-O 3.43Å; A61-N95 PolarHBondContact O-N 2.86Å; A61-V96 HydrophobicContact CB-CG2 4.21Å; A61-V96 PolarHBondContact O-N 3.41Å |
| 62 | I | 95.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -74.3 | 102 | 179.4 | -55.2 | 170 | 0 | 0 | 0 | 109.2 | F37 T60 R72 V74 V96 V104 | F37-I62 HydrophobicContact CE2-CD1 4.44Å; F37-I62 HydrophobicContact CZ-CD1 4.41Å; T60-I62 PolarHBondContact O-N 3.43Å; I62-R72 HydrophobicContact CB-CB 4.43Å; I62-R72 HydrophobicContact CD1-CB 4.1Å; I62-R72 PolarHBondContact O-NH1 2.71Å; I62-V74 HydrophobicContact CD1-CG2 3.59Å; I62-V74 HydrophobicContact CG1-CG2 4.03Å; I62-V96 HydrophobicContact CG1-CB 4.49Å; I62-V104 HydrophobicContact CG2-CG2 4.06Å |
| 63 | K | 94.2 | Very high | 94.3 | Very high | 129 Ų | 129 | 62.8 Ų | 62.8 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -67.3 | -59.1 | 177.7 | -97.6 | -175.6 | 169.6 | 163.3 | 0 | 111.2 | A61 R72 N95 V96 T97 | A61-K63 PolarHBondContact O-N 2.75Å; A61-K63 VanDerWaalsContact O-N 3.11Å; K63-R72 PolarHBondContact O-NH1 2.83Å; K63-N95 HydrophobicContact CD-CB 3.76Å; K63-N95 WeakPolarHBondContact CD-OD1 3.19Å; K63-N95 VanDerWaalsContact CE-CG 3.43Å; K63-N95 WeakPolarHBondContact CE-OD1 3.43Å; K63-N95 HydrophobicContact CG-CB 4.45Å; K63-N95 PolarHBondContact NZ-ND2 3.47Å; K63-N95 VanDerWaalsContact NZ-ND2 3.14Å; K63-N95 PolarHBondContact NZ-OD1 2.91Å; K63-V96 PolarHBondContact N-O 2.89Å; K63-V96 VanDerWaalsContact N-O 3.14Å; K63-T97 HydrophobicContact CB-CG2 4.17Å |
| 64 | K | 93.2 | Very high | 94.5 | Very high | 104 Ų | 104 | 58.2 Ų | 58.2 | 45% | 0.452 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -104.2 | 92.8 | -174 | -65 | -177.5 | -175.7 | -179.7 | 0 | 111.9 | T97 G101 P103 V104 | K64-T97 HydrophobicContact CB-CG2 4.08Å; K64-T97 HydrophobicContact CD-CG2 3.96Å; K64-T97 HydrophobicContact CG-CG2 3.92Å; K64-G101 WeakPolarHBondContact CD-O 3.44Å; K64-G101 WeakPolarHBondContact CE-O 3.36Å; K64-G101 PolarHBondContact NZ-O 3.48Å; K64-P103 HydrophobicContact CB-CB 4.38Å; K64-V104 PolarHBondContact O-N 2.8Å; K64-V104 VanDerWaalsContact O-N 3.14Å |
| 65 | N | 94.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 16% | 0.16 | 27% | 0.266 | C | S | . | . | trans | -79.3 | 153.2 | 176.5 | -177.2 | 35.3 | 0 | 0 | 0 | 112.9 | P67 L71 R72 | N65-P67 WeakPolarHBondContact O-CD 3.05Å; N65-L71 PolarHBondContact ND2-O 3.21Å; N65-L71 PolarHBondContact OD1-O 3.5Å; N65-R72 HydrophobicContact CB-CG 4.09Å | ||
| 66 | N | 94.1 | Very high | 94.6 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | trans | -61.5 | 122.5 | 172.2 | -163.7 | -41.2 | 0 | 0 | 0 | 111.4 | R68 K69 V104 K105 | N66-R68 PolarHBondContact O-N 2.8Å; N66-R68 VanDerWaalsContact OD1-CB 3.28Å; N66-R68 WeakPolarHBondContact OD1-CB 3.35Å; N66-R68 PolarHBondContact OD1-N 2.98Å; N66-K69 HydrophobicContact CB-CB 4.12Å; N66-K69 HydrophobicContact CB-CG 3.88Å; N66-K69 PolarHBondContact O-N 3.33Å; N66-K69 VanDerWaalsContact O-N 3.09Å; N66-V104 VanDerWaalsContact CB-O 3.27Å; N66-V104 WeakPolarHBondContact CB-O 3.31Å; N66-K105 PolarHBondContact ND2-O 2.89Å | ||
| 67 | P | 91.1 | Very high | 94.5 | Very high | 95 Ų | 95 | 59.5 Ų | 59.5 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.4 | 178.2 | 26.3 | -35.2 | 0 | 0 | 0 | 113.4 | N65 K113 | N65-P67 WeakPolarHBondContact O-CD 3.05Å; P67-K113 WeakPolarHBondContact O-CD 3.43Å |
| 68 | R | 90.4 | Very high | 94.5 | Very high | 140 Ų | 140 | 60.2 Ų | 60.2 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -17.1 | 178.4 | -56 | 179.2 | 71.3 | 145.9 | -4.5 | 113.2 | N66 N112 K113 | N66-R68 PolarHBondContact O-N 2.8Å; N66-R68 VanDerWaalsContact OD1-CB 3.28Å; N66-R68 WeakPolarHBondContact OD1-CB 3.35Å; N66-R68 PolarHBondContact OD1-N 2.98Å; R68-N112 CarbonylContact O-C 3.55Å; R68-N112 WeakPolarHBondContact O-CA 3.29Å; R68-K113 PolarHBondContact O-N 3.15Å |
| 69 | K | 92.5 | Very high | 94.5 | Very high | 22 Ų | 22 | 60.5 Ų | 60.5 | 10% | 0.096 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -99.2 | 144.8 | -179.9 | -64.3 | -63.5 | -166.3 | 173 | 0 | 110.9 | N66 S107 A110 N112 K113 | N66-K69 HydrophobicContact CB-CB 4.12Å; N66-K69 HydrophobicContact CB-CG 3.88Å; N66-K69 PolarHBondContact O-N 3.33Å; N66-K69 VanDerWaalsContact O-N 3.09Å; K69-S107 VanDerWaalsContact CE-O 3.28Å; K69-S107 WeakPolarHBondContact CE-O 3.46Å; K69-S107 PolarHBondContact NZ-O 2.77Å; K69-S107 VanDerWaalsContact NZ-O 3.11Å; K69-A110 HydrophobicContact CD-CB 4.09Å; K69-A110 PolarHBondContact NZ-O 3.45Å; K69-N112 VanDerWaalsContact CD-OD1 3.29Å; K69-N112 WeakPolarHBondContact CD-OD1 3.26Å; K69-N112 WeakPolarHBondContact CE-OD1 3.35Å; K69-N112 PolarHBondContact NZ-OD1 2.83Å; K69-K113 WeakPolarHBondContact O-CD 3.4Å; K69-K113 WeakPolarHBondContact O-CE 3.45Å; K69-K113 PolarHBondContact O-NZ 3.28Å |
| 70 | F | 89.6 | Confident | 94.5 | Very high | 129 Ų | 129 | 57 Ų | 57 | 57% | 0.566 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -77.4 | -49.8 | 178.1 | -172.9 | -98.6 | 0 | 0 | 0 | 111.2 | P111 K113 | F70-P111 HydrophobicContact CB-CG 4.29Å; F70-P111 PolarHBondContact N-O 2.79Å; F70-K113 HydrophobicContact CB-CG 4.14Å; F70-K113 HydrophobicContact CD2-CG 4.25Å |
| 71 | L | 93.4 | Very high | 94.6 | Very high | 60 Ų | 60 | 54 Ų | 54 | 31% | 0.314 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -86.7 | 150.6 | 179.5 | -61.2 | 172.6 | 0 | 0 | 0 | 111.4 | V39 N65 S73 P111 | V39-L71 HydrophobicContact CG1-CD1 3.68Å; N65-L71 PolarHBondContact ND2-O 3.21Å; N65-L71 PolarHBondContact OD1-O 3.5Å; L71-S73 PolarHBondContact O-N 2.85Å; L71-P111 HydrophobicContact CD1-CG 4.23Å; L71-P111 HydrophobicContact CG-CG 4.4Å |
| 72 | R | 95.4 | Very high | 94.6 | Very high | 116 Ų | 116 | 53.4 Ų | 53.4 | 44% | 0.438 | 27% | 0.27 | S | S | . | . | trans | -75.4 | 116.4 | 166.8 | -61.5 | -176 | -179.4 | -100.1 | 0.2 | 107.6 | Q59 I62 K63 N65 | Q59-R72 HydrophobicContact CB-CB 4.34Å; Q59-R72 VanDerWaalsContact O-CD 3.29Å; Q59-R72 WeakPolarHBondContact O-CD 3.39Å; I62-R72 HydrophobicContact CB-CB 4.43Å; I62-R72 HydrophobicContact CD1-CB 4.1Å; I62-R72 PolarHBondContact O-NH1 2.71Å; K63-R72 PolarHBondContact O-NH1 2.83Å; N65-R72 HydrophobicContact CB-CG 4.09Å | ||
| 73 | S | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -152.8 | 158.8 | -178.8 | 57.6 | 0 | 0 | 0 | 0 | 109.3 | F37 L71 V104 G106 S107 A110 | F37-S73 VanDerWaalsContact CE1-CA 3.49Å; F37-S73 VanDerWaalsContact CE1-CB 3.49Å; L71-S73 PolarHBondContact O-N 2.85Å; S73-V104 WeakPolarHBondContact O-CG2 3.37Å; S73-G106 WeakPolarHBondContact O-CA 3.46Å; S73-S107 PolarHBondContact OG-N 3.14Å; S73-S107 VanDerWaalsContact OG-N 3.09Å; S73-A110 VanDerWaalsContact OG-CB 3.26Å; S73-A110 WeakPolarHBondContact OG-CB 3.37Å | ||
| 74 | V | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -114.2 | 150.6 | 174.4 | -161.5 | 0 | 0 | 0 | 0 | 109.2 | V34 F37 I62 E78 V80 S107 | V34-V74 HydrophobicContact CB-CG1 4.32Å; V34-V74 HydrophobicContact CG1-CB 4.43Å; V34-V74 HydrophobicContact CG1-CG1 4.36Å; V34-V74 HydrophobicContact CG2-CB 4.2Å; V34-V74 HydrophobicContact CG2-CG1 3.36Å; F37-V74 HydrophobicContact CD2-CG2 4.45Å; I62-V74 HydrophobicContact CD1-CG2 3.59Å; I62-V74 HydrophobicContact CG1-CG2 4.03Å; V74-E78 HydrophobicContact CG1-CB 4.31Å; V74-V80 HydrophobicContact CG1-CG1 3.79Å; V74-S107 WeakPolarHBondContact O-CA 3.17Å; V74-S107 WeakPolarHBondContact O-CB 3.15Å; V74-S107 PolarHBondContact O-N 3.47Å | ||
| 75 | G | 96.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 11% | 0.113 | 24% | 0.235 | C | C | . | . | trans | -76.2 | 141.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | V34 E78 | V34-G75 VanDerWaalsContact CB-O 3.29Å; V34-G75 WeakPolarHBondContact CB-O 3.46Å; V34-G75 WeakPolarHBondContact CG1-O 3.42Å; G75-E78 PolarHBondContact N-OE2 3.22Å; G75-E78 WeakPolarHBondContact O-CB 3.37Å; G75-E78 PolarHBondContact O-N 3.2Å | ||
| 76 | D | 95.9 | Very high | 94.7 | Very high | 79 Ų | 79 | 48.5 Ų | 48.5 | 42% | 0.422 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 135.7 | 169.8 | -46.1 | -50 | 0 | 0 | 0 | 109.2 | W36 F37 E78 | W36-D76 WeakPolarHBondContact CA-OD1 3.27Å; F37-D76 PolarHBondContact N-OD1 3.43Å; D76-E78 PolarHBondContact O-N 3.1Å |
| 77 | G | 95.8 | Very high | 94.5 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 61% | 0.608 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 10.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V34 | V34-G77 WeakPolarHBondContact O-CA 3.15Å; V34-G77 PolarHBondContact O-N 2.69Å |
| 78 | E | 96.2 | Very high | 94.5 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | trans | -77 | 134.8 | 176 | -172.3 | 173.9 | -178.3 | 0 | 0 | 110.6 | V34 V74 G75 D76 V80 V104 K105 G106 | V34-E78 HydrophobicContact CG2-CB 4.4Å; V34-E78 WeakPolarHBondContact CG2-O 3.29Å; V34-E78 PolarHBondContact N-O 3.49Å; V74-E78 HydrophobicContact CG1-CB 4.31Å; G75-E78 PolarHBondContact N-OE2 3.22Å; G75-E78 WeakPolarHBondContact O-CB 3.37Å; G75-E78 PolarHBondContact O-N 3.2Å; D76-E78 PolarHBondContact O-N 3.1Å; E78-V80 HydrophobicContact CG-CG1 4.17Å; E78-V104 WeakPolarHBondContact OE1-CA 3.43Å; E78-K105 HydrophobicContact CG-CD 4.47Å; E78-K105 WeakPolarHBondContact OE1-CB 3.32Å; E78-K105 WeakPolarHBondContact OE1-CG 3.18Å; E78-K105 PolarHBondContact OE1-N 3.45Å; E78-G106 PolarHBondContact OE2-N 2.92Å | ||
| 79 | V | 96.2 | Very high | 94.3 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 38% | 0.376 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 129.3 | 170 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | G32 T33 P99 | G32-V79 CarbonylContact O-C 3.54Å; G32-V79 WeakPolarHBondContact O-CA 3.4Å; T33-V79 HydrophobicContact CG2-CG2 4.09Å; V79-P99 WeakPolarHBondContact O-CD 3.28Å |
| 80 | V | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.8 | -177.2 | -67.6 | 0 | 0 | 0 | 0 | 111 | Q31 G32 V34 I46 V74 E78 F82 V96 T97 V104 | Q31-V80 WeakPolarHBondContact CA-O 3.2Å; G32-V80 PolarHBondContact N-O 3.14Å; G32-V80 PolarHBondContact O-N 2.76Å; V34-V80 HydrophobicContact CG2-CG1 4.04Å; V34-V80 HydrophobicContact CG2-CG2 3.81Å; I46-V80 HydrophobicContact CD1-CG2 3.86Å; I46-V80 HydrophobicContact CG1-CG2 4.32Å; I46-V80 HydrophobicContact CG2-CG2 3.94Å; V74-V80 HydrophobicContact CG1-CG1 3.79Å; E78-V80 HydrophobicContact CG-CG1 4.17Å; V80-F82 HydrophobicContact CG2-CD1 4.08Å; V80-F82 HydrophobicContact CG2-CE1 4.41Å; V80-V96 HydrophobicContact CB-CG1 4.14Å; V80-V96 HydrophobicContact CG1-CG1 4.38Å; V80-V96 HydrophobicContact CG2-CG1 4.33Å; V80-T97 CarbonylContact C-O 3.59Å; V80-T97 WeakPolarHBondContact CA-O 2.83Å; V80-T97 VanDerWaalsContact CB-O 3.27Å; V80-T97 WeakPolarHBondContact CB-O 3.4Å; V80-V104 HydrophobicContact CG1-CG1 4.28Å |
| 81 | E | 96.5 | Very high | 94.5 | Very high | 38 Ų | 38 | 50 Ų | 50 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.2 | 172.6 | -78.7 | 170.1 | -168 | 0 | 0 | 109.4 | V30 Q31 T97 P99 G100 G101 | V30-E81 CarbonylContact O-C 3.6Å; V30-E81 WeakPolarHBondContact O-CA 3.32Å; Q31-E81 HydrophobicContact CG-CG 3.61Å; Q31-E81 PolarHBondContact NE2-OE1 3.11Å; E81-T97 PolarHBondContact N-O 3.4Å; E81-T97 PolarHBondContact O-N 2.97Å; E81-T97 PolarHBondContact O-OG1 3.39Å; E81-P99 WeakPolarHBondContact OE1-CA 3.49Å; E81-G100 VanDerWaalsContact CD-N 3.26Å; E81-G100 PolarHBondContact OE1-N 2.74Å; E81-G100 PolarHBondContact OE2-N 3.13Å; E81-G101 PolarHBondContact OE2-N 3.04Å |
| 82 | F | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 161.7 | -175.2 | 61.6 | -81.3 | 0 | 0 | 0 | 112.4 | A29 V30 I46 R48 V55 V80 V84 A93 V96 | A29-F82 PolarHBondContact N-O 3.23Å; V30-F82 HydrophobicContact CG1-CZ 4.43Å; V30-F82 PolarHBondContact N-O 2.8Å; V30-F82 WeakPolarHBondContact O-CD1 3.28Å; V30-F82 PolarHBondContact O-N 3.34Å; I46-F82 HydrophobicContact CB-CE1 4.3Å; I46-F82 HydrophobicContact CB-CZ 4.25Å; I46-F82 HydrophobicContact CD1-CD1 4.22Å; I46-F82 HydrophobicContact CD1-CE1 4.36Å; I46-F82 HydrophobicContact CD1-CG 4.46Å; I46-F82 HydrophobicContact CG2-CD1 4.27Å; I46-F82 HydrophobicContact CG2-CE1 3.46Å; I46-F82 VanDerWaalsContact CG2-CE1 3.46Å; I46-F82 HydrophobicContact CG2-CZ 3.76Å; R48-F82 HydrophobicContact CG-CE2 4.27Å; R48-F82 HydrophobicContact CG-CZ 3.78Å; V55-F82 HydrophobicContact CB-CE2 4.03Å; V55-F82 HydrophobicContact CB-CZ 4.46Å; V55-F82 HydrophobicContact CG1-CE2 3.92Å; V55-F82 HydrophobicContact CG2-CE2 4.05Å; V55-F82 HydrophobicContact CG2-CZ 4.43Å; V80-F82 HydrophobicContact CG2-CD1 4.08Å; V80-F82 HydrophobicContact CG2-CE1 4.41Å; F82-V84 HydrophobicContact CD2-CG2 4.18Å; F82-V84 HydrophobicContact CE2-CG2 3.79Å; F82-A93 HydrophobicContact CB-CB 4.3Å; F82-A93 HydrophobicContact CD2-CB 3.61Å; F82-A93 HydrophobicContact CE2-CB 4.21Å; F82-A93 HydrophobicContact CG-CB 4.16Å; F82-V96 HydrophobicContact CB-CB 4.38Å; F82-V96 HydrophobicContact CB-CG2 3.88Å |
| 83 | D | 95.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 140.6 | 171.7 | -57.3 | -31.1 | 0 | 0 | 0 | 108.9 | V25 A27 T28 A29 A93 A94 N95 | V25-D83 HydrophobicContact CG1-CB 4.41Å; A27-D83 CarbonylContact O-C 3.6Å; A27-D83 WeakPolarHBondContact O-CA 3.47Å; T28-D83 WeakPolarHBondContact CA-OD1 3.46Å; A29-D83 PolarHBondContact N-OD1 3.34Å; D83-A93 CarbonylContact O-C 3.59Å; D83-A93 WeakPolarHBondContact O-CA 3.27Å; D83-A94 HydrophobicContact CB-CB 4.49Å; D83-A94 PolarHBondContact N-O 3.22Å; D83-A94 PolarHBondContact O-N 2.91Å; D83-N95 WeakPolarHBondContact OD2-CB 3.37Å; D83-N95 PolarHBondContact OD2-ND2 2.85Å |
| 84 | V | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.2 | 176.3 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | V25 I26 A27 V30 F82 | V25-V84 CarbonylContact C-O 3.56Å; I26-V84 HydrophobicContact CB-CB 4.44Å; I26-V84 HydrophobicContact CB-CG1 4.33Å; I26-V84 HydrophobicContact CD1-CG1 4.18Å; I26-V84 PolarHBondContact N-O 3.47Å; A27-V84 HydrophobicContact CB-CB 4.17Å; A27-V84 HydrophobicContact CB-CG2 4.18Å; A27-V84 PolarHBondContact N-O 3.46Å; A27-V84 PolarHBondContact O-N 2.92Å; V30-V84 HydrophobicContact CB-CG2 4.5Å; V30-V84 HydrophobicContact CG2-CG2 4.24Å; F82-V84 HydrophobicContact CD2-CG2 4.18Å; F82-V84 HydrophobicContact CE2-CG2 3.79Å |
| 85 | I | 94.9 | Very high | 94.6 | Very high | 24 Ų | 24 | 46.5 Ų | 46.5 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 140.8 | -179.4 | -61.8 | -163.1 | 0 | 0 | 0 | 109.3 | R23 K24 V25 A87 E92 A94 | R23-I85 HydrophobicContact CB-CG2 3.14Å; R23-I85 HydrophobicContact CG-CG2 4.15Å; K24-I85 CarbonylContact O-C 3.5Å; K24-I85 WeakPolarHBondContact O-CA 3.12Å; V25-I85 HydrophobicContact CG2-CD1 4.29Å; V25-I85 HydrophobicContact CG2-CG1 4.2Å; I85-A87 PolarHBondContact O-N 2.93Å; I85-E92 PolarHBondContact N-O 3.42Å; I85-E92 PolarHBondContact O-N 3.05Å; I85-A94 HydrophobicContact CD1-CB 3.23Å; I85-A94 HydrophobicContact CG1-CB 3.7Å |
| 86 | E | 94.1 | Very high | 94.6 | Very high | 109 Ų | 109 | 46 Ų | 46 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 119 | 170.8 | -161.9 | 179.6 | 180 | 0 | 0 | 110 | K24 I26 | K24-E86 HydrophobicContact CB-CB 4.39Å; K24-E86 PolarHBondContact O-N 3.09Å; I26-E86 HydrophobicContact CD1-CB 3.77Å; I26-E86 HydrophobicContact CD1-CG 4.31Å; I26-E86 HydrophobicContact CG1-CB 4.04Å |
| 87 | A | 90.6 | Very high | 94.6 | Very high | 21 Ų | 21 | 43 Ų | 43 | 17% | 0.174 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 168.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | I85 K89 G90 E92 | I85-A87 PolarHBondContact O-N 2.93Å; A87-K89 PolarHBondContact O-N 3.22Å; A87-K89 VanDerWaalsContact O-N 3.09Å; A87-G90 CarbonylContact C-O 3.42Å; A87-G90 WeakPolarHBondContact CA-O 3.02Å; A87-G90 WeakPolarHBondContact CB-O 3.32Å; A87-G90 PolarHBondContact N-O 3.11Å; A87-G90 PolarHBondContact O-N 3.29Å; A87-G90 VanDerWaalsContact O-O 3.13Å; A87-E92 HydrophobicContact CB-CB 3.82Å |
| 88 | T | 89.9 | Confident | 94.6 | Very high | 151 Ų | 151 | 40.3 Ų | 40.3 | 93% | 0.926 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.4 | 179.7 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 89 | K | 87.7 | Confident | 94.5 | Very high | 197 Ų | 197 | 42.2 Ų | 42.2 | 86% | 0.857 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 18 | -179.8 | -63.1 | -179.8 | -178.5 | 176.1 | 0 | 112.9 | A87 | A87-K89 PolarHBondContact O-N 3.22Å; A87-K89 VanDerWaalsContact O-N 3.09Å |
| 90 | G | 91.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.1 | -154.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A87 E92 | A87-G90 CarbonylContact C-O 3.42Å; A87-G90 WeakPolarHBondContact CA-O 3.02Å; A87-G90 WeakPolarHBondContact CB-O 3.32Å; A87-G90 PolarHBondContact N-O 3.11Å; A87-G90 PolarHBondContact O-N 3.29Å; A87-G90 VanDerWaalsContact O-O 3.13Å; G90-E92 PolarHBondContact O-N 3.34Å |
| 91 | S | 94.3 | Very high | 94.1 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 28% | 0.28 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 122.2 | -176.9 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | F56 | F56-S91 PolarHBondContact N-O 3.09Å |
| 92 | E | 95.6 | Very high | 94 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.7 | 175.9 | -179.7 | 169.6 | -178.8 | 0 | 0 | 110.5 | R23 F56 I85 A87 G90 | R23-E92 IonicContact CZ-OE2 3.43Å; R23-E92 VanDerWaalsContact NH1-CD 3.28Å; R23-E92 IonicContact NH1-OE1 2.69Å; R23-E92 IonicContact NH1-OE2 3.77Å; R23-E92 PolarHBondContact NH1-OE2 3.33Å; F56-E92 HydrophobicContact CD1-CB 4.45Å; F56-E92 HydrophobicContact CD1-CG 4Å; F56-E92 CarbonylContact O-C 3.59Å; F56-E92 WeakPolarHBondContact O-CA 3.38Å; I85-E92 PolarHBondContact N-O 3.42Å; I85-E92 PolarHBondContact O-N 3.05Å; A87-E92 HydrophobicContact CB-CB 3.82Å; G90-E92 PolarHBondContact O-N 3.34Å |
| 93 | A | 96 | Very high | 94 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 135.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I46 V55 F56 V57 A61 F82 D83 V96 | I46-A93 HydrophobicContact CD1-CB 4.22Å; V55-A93 HydrophobicContact CG1-CB 3.74Å; V55-A93 VanDerWaalsContact CG1-N 3.31Å; F56-A93 PolarHBondContact O-N 2.85Å; V57-A93 HydrophobicContact CB-CB 4.21Å; V57-A93 HydrophobicContact CG2-CB 4.47Å; A61-A93 WeakPolarHBondContact CB-O 3.43Å; F82-A93 HydrophobicContact CB-CB 4.3Å; F82-A93 HydrophobicContact CD2-CB 3.61Å; F82-A93 HydrophobicContact CE2-CB 4.21Å; F82-A93 HydrophobicContact CG-CB 4.16Å; D83-A93 CarbonylContact O-C 3.59Å; D83-A93 WeakPolarHBondContact O-CA 3.27Å; A93-V96 HydrophobicContact CB-CG2 3.88Å |
| 94 | A | 95.4 | Very high | 94 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 163.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D83 I85 V96 | D83-A94 HydrophobicContact CB-CB 4.49Å; D83-A94 PolarHBondContact N-O 3.22Å; D83-A94 PolarHBondContact O-N 2.91Å; I85-A94 HydrophobicContact CD1-CB 3.23Å; I85-A94 HydrophobicContact CG1-CB 3.7Å; A94-V96 PolarHBondContact O-N 3.03Å; A94-V96 VanDerWaalsContact O-N 3.12Å |
| 95 | N | 95.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 55.2 Ų | 55.2 | 29% | 0.289 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.4 | 34.5 | 171.8 | -59.8 | -22.7 | 0 | 0 | 0 | 114.5 | A61 K63 D83 T97 | A61-N95 PolarHBondContact O-N 2.86Å; K63-N95 HydrophobicContact CD-CB 3.76Å; K63-N95 WeakPolarHBondContact CD-OD1 3.19Å; K63-N95 VanDerWaalsContact CE-CG 3.43Å; K63-N95 WeakPolarHBondContact CE-OD1 3.43Å; K63-N95 HydrophobicContact CG-CB 4.45Å; K63-N95 PolarHBondContact NZ-ND2 3.47Å; K63-N95 VanDerWaalsContact NZ-ND2 3.14Å; K63-N95 PolarHBondContact NZ-OD1 2.91Å; D83-N95 WeakPolarHBondContact OD2-CB 3.37Å; D83-N95 PolarHBondContact OD2-ND2 2.85Å; N95-T97 PolarHBondContact O-N 2.84Å |
| 96 | V | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 124.2 | -174.1 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | I46 V57 A61 I62 K63 V80 F82 A93 A94 | I46-V96 HydrophobicContact CD1-CG1 4.37Å; I46-V96 HydrophobicContact CD1-CG2 4.45Å; V57-V96 HydrophobicContact CG2-CG2 3.9Å; A61-V96 HydrophobicContact CB-CG2 4.21Å; A61-V96 PolarHBondContact O-N 3.41Å; I62-V96 HydrophobicContact CG1-CB 4.49Å; K63-V96 PolarHBondContact N-O 2.89Å; K63-V96 VanDerWaalsContact N-O 3.14Å; V80-V96 HydrophobicContact CB-CG1 4.14Å; V80-V96 HydrophobicContact CG1-CG1 4.38Å; V80-V96 HydrophobicContact CG2-CG1 4.33Å; F82-V96 HydrophobicContact CB-CB 4.38Å; F82-V96 HydrophobicContact CB-CG2 3.88Å; A93-V96 HydrophobicContact CB-CG2 3.88Å; A94-V96 PolarHBondContact O-N 3.03Å; A94-V96 VanDerWaalsContact O-N 3.12Å |
| 97 | T | 96.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 165.8 | 177.1 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | K63 K64 V80 E81 N95 | K63-T97 HydrophobicContact CB-CG2 4.17Å; K64-T97 HydrophobicContact CB-CG2 4.08Å; K64-T97 HydrophobicContact CD-CG2 3.96Å; K64-T97 HydrophobicContact CG-CG2 3.92Å; V80-T97 CarbonylContact C-O 3.59Å; V80-T97 WeakPolarHBondContact CA-O 2.83Å; V80-T97 VanDerWaalsContact CB-O 3.27Å; V80-T97 WeakPolarHBondContact CB-O 3.4Å; E81-T97 PolarHBondContact N-O 3.4Å; E81-T97 PolarHBondContact O-N 2.97Å; E81-T97 PolarHBondContact O-OG1 3.39Å; N95-T97 PolarHBondContact O-N 2.84Å |
| 98 | G | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | trans | -73 | 171.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G100 G101 I102 | G98-G100 PolarHBondContact O-N 3.07Å; G98-G101 WeakPolarHBondContact O-CA 3.34Å; G98-G101 PolarHBondContact O-N 3.22Å; G98-I102 VanDerWaalsContact CA-O 3.23Å; G98-I102 WeakPolarHBondContact CA-O 3.37Å; G98-I102 PolarHBondContact N-O 2.66Å; G98-I102 PolarHBondContact O-N 3.01Å | ||
| 99 | P | 94.4 | Very high | 94.1 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 36% | 0.357 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -56.7 | 137.6 | -179.4 | 25.4 | -35.4 | 0 | 0 | 0 | 111.2 | V79 E81 G101 I102 | V79-P99 WeakPolarHBondContact O-CD 3.28Å; E81-P99 WeakPolarHBondContact OE1-CA 3.49Å; P99-G101 PolarHBondContact O-N 3.09Å; P99-I102 WeakPolarHBondContact O-CD1 3.24Å; P99-I102 VanDerWaalsContact O-CG1 3.25Å; P99-I102 WeakPolarHBondContact O-CG1 3.14Å; P99-I102 PolarHBondContact O-N 2.81Å |
| 100 | G | 92 | Very high | 94.4 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 70% | 0.701 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | 64 | 24 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E81 G98 I102 | E81-G100 VanDerWaalsContact CD-N 3.26Å; E81-G100 PolarHBondContact OE1-N 2.74Å; E81-G100 PolarHBondContact OE2-N 3.13Å; G98-G100 PolarHBondContact O-N 3.07Å; G100-I102 VanDerWaalsContact C-N 3.27Å; G100-I102 PolarHBondContact O-N 2.86Å |
| 101 | G | 91.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | 68.3 | 19.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K64 E81 G98 P99 | K64-G101 WeakPolarHBondContact CD-O 3.44Å; K64-G101 WeakPolarHBondContact CE-O 3.36Å; K64-G101 PolarHBondContact NZ-O 3.48Å; E81-G101 PolarHBondContact OE2-N 3.04Å; G98-G101 WeakPolarHBondContact O-CA 3.34Å; G98-G101 PolarHBondContact O-N 3.22Å; P99-G101 PolarHBondContact O-N 3.09Å |
| 102 | I | 94.6 | Very high | 94.2 | Very high | 104 Ų | 104 | 53.1 Ų | 53.1 | 53% | 0.533 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -67 | 149.1 | 173.7 | -62.7 | 170.4 | 0 | 0 | 0 | 109.2 | G98 P99 G100 V104 | G98-I102 VanDerWaalsContact CA-O 3.23Å; G98-I102 WeakPolarHBondContact CA-O 3.37Å; G98-I102 PolarHBondContact N-O 2.66Å; G98-I102 PolarHBondContact O-N 3.01Å; P99-I102 WeakPolarHBondContact O-CD1 3.24Å; P99-I102 VanDerWaalsContact O-CG1 3.25Å; P99-I102 WeakPolarHBondContact O-CG1 3.14Å; P99-I102 PolarHBondContact O-N 2.81Å; G100-I102 VanDerWaalsContact C-N 3.27Å; G100-I102 PolarHBondContact O-N 2.86Å; I102-V104 PolarHBondContact O-N 3.37Å |
| 103 | P | 95.4 | Very high | 93.7 | Very high | 62 Ų | 62 | 55.7 Ų | 55.7 | 40% | 0.403 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 139 | 171.9 | -22.9 | 33.7 | 0 | 0 | 0 | 111.9 | K64 | K64-P103 HydrophobicContact CB-CB 4.38Š|
| 104 | V | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 147.4 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | I62 K64 N66 S73 E78 V80 I102 G106 | I62-V104 HydrophobicContact CG2-CG2 4.06Å; K64-V104 PolarHBondContact O-N 2.8Å; K64-V104 VanDerWaalsContact O-N 3.14Å; N66-V104 VanDerWaalsContact CB-O 3.27Å; N66-V104 WeakPolarHBondContact CB-O 3.31Å; S73-V104 WeakPolarHBondContact O-CG2 3.37Å; E78-V104 WeakPolarHBondContact OE1-CA 3.43Å; V80-V104 HydrophobicContact CG1-CG1 4.28Å; I102-V104 PolarHBondContact O-N 3.37Å; V104-G106 VanDerWaalsContact C-N 3.29Å |
| 105 | K | 93.6 | Very high | 90.9 | Very high | 154 Ų | 154 | 70.2 Ų | 70.2 | 67% | 0.67 | 34% | 0.341 | S | S | * | . | trans | -63.8 | -40.8 | 174.3 | -65.4 | 172 | -177.7 | 169.9 | 0 | 110 | N66 E78 | N66-K105 PolarHBondContact ND2-O 2.89Å; E78-K105 HydrophobicContact CG-CD 4.47Å; E78-K105 WeakPolarHBondContact OE1-CB 3.32Å; E78-K105 WeakPolarHBondContact OE1-CG 3.18Å; E78-K105 PolarHBondContact OE1-N 3.45Å | ||
| 106 | G | 94.6 | Very high | 89.1 | Confident | 9 Ų | 9 | 74.7 Ų | 74.7 | 9% | 0.093 | 36% | 0.358 | C | S | . | . | trans | 77.9 | 164.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S73 E78 V104 | S73-G106 WeakPolarHBondContact O-CA 3.46Å; E78-G106 PolarHBondContact OE2-N 2.92Å; V104-G106 VanDerWaalsContact C-N 3.29Å | ||
| 107 | S | 95.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | trans | -64.5 | 144.9 | -169 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | V39 K69 S73 V74 Y109 A110 | V39-S107 VanDerWaalsContact CG2-OG 3.31Å; V39-S107 WeakPolarHBondContact CG2-OG 3.29Å; K69-S107 VanDerWaalsContact CE-O 3.28Å; K69-S107 WeakPolarHBondContact CE-O 3.46Å; K69-S107 PolarHBondContact NZ-O 2.77Å; K69-S107 VanDerWaalsContact NZ-O 3.11Å; S73-S107 PolarHBondContact OG-N 3.14Å; S73-S107 VanDerWaalsContact OG-N 3.09Å; V74-S107 WeakPolarHBondContact O-CA 3.17Å; V74-S107 WeakPolarHBondContact O-CB 3.15Å; V74-S107 PolarHBondContact O-N 3.47Å; S107-Y109 PolarHBondContact O-N 3.37Å; S107-Y109 WeakPolarHBondContact OG-CD2 3.35Å; S107-Y109 PolarHBondContact OG-N 2.85Å; S107-A110 PolarHBondContact O-N 2.88Å | ||
| 108 | R | 92.6 | Very high | 85.5 | Confident | 232 Ų | 232 | 94 Ų | 94 | 88% | 0.875 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30.9 | 170.7 | -67.4 | 179.1 | 64 | 140.6 | -1.7 | 111.7 | ||
| 109 | Y | 92.7 | Very high | 83.8 | Confident | 182 Ų | 182 | 103.9 Ų | 103.9 | 71% | 0.714 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -17.8 | -178.5 | -54.4 | -70.6 | 0 | 0 | 0 | 113.2 | S107 | S107-Y109 PolarHBondContact O-N 3.37Å; S107-Y109 WeakPolarHBondContact OG-CD2 3.35Å; S107-Y109 PolarHBondContact OG-N 2.85Å |
| 110 | A | 92.8 | Very high | 81.8 | Confident | 2 Ų | 2 | 110.6 Ų | 110.6 | 2% | 0.017 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -70.7 | 135.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V39 K69 S73 S107 | V39-A110 HydrophobicContact CG1-CB 4.1Å; K69-A110 HydrophobicContact CD-CB 4.09Å; K69-A110 PolarHBondContact NZ-O 3.45Å; S73-A110 VanDerWaalsContact OG-CB 3.26Å; S73-A110 WeakPolarHBondContact OG-CB 3.37Å; S107-A110 PolarHBondContact O-N 2.88Å |
| 111 | P | 91.3 | Very high | 80.5 | Confident | 45 Ų | 45 | 113.9 Ų | 113.9 | 29% | 0.292 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 139.9 | -178.5 | 24.7 | -30.4 | 0 | 0 | 0 | 112.3 | F70 L71 | F70-P111 HydrophobicContact CB-CG 4.29Å; F70-P111 PolarHBondContact N-O 2.79Å; L71-P111 HydrophobicContact CD1-CG 4.23Å; L71-P111 HydrophobicContact CG-CG 4.4Å |
| 112 | N | 91 | Very high | 78.7 | Confident | 66 Ų | 66 | 117.9 Ų | 117.9 | 35% | 0.353 | 51% | 0.513 | S | S | . | . | B | Isolated β-bridge | trans | -82.8 | 133 | 178.7 | -64.8 | -21.1 | 0 | 0 | 0 | 111.5 | R68 K69 R114 R115 | R68-N112 CarbonylContact O-C 3.55Å; R68-N112 WeakPolarHBondContact O-CA 3.29Å; K69-N112 VanDerWaalsContact CD-OD1 3.29Å; K69-N112 WeakPolarHBondContact CD-OD1 3.26Å; K69-N112 WeakPolarHBondContact CE-OD1 3.35Å; K69-N112 PolarHBondContact NZ-OD1 2.83Å; N112-R114 VanDerWaalsContact C-N 3.29Å; N112-R114 PolarHBondContact O-N 2.93Å; N112-R115 PolarHBondContact O-N 3.32Å |
| 113 | K | 84.3 | Confident | 77 | Confident | 84 Ų | 84 | 123.7 Ų | 123.7 | 37% | 0.365 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34.3 | 176.2 | -81.3 | 167.1 | 170.1 | 165.8 | 0 | 113.6 | P67 R68 K69 F70 R115 F116 | P67-K113 WeakPolarHBondContact O-CD 3.43Å; R68-K113 PolarHBondContact O-N 3.15Å; K69-K113 WeakPolarHBondContact O-CD 3.4Å; K69-K113 WeakPolarHBondContact O-CE 3.45Å; K69-K113 PolarHBondContact O-NZ 3.28Å; F70-K113 HydrophobicContact CB-CG 4.14Å; F70-K113 HydrophobicContact CD2-CG 4.25Å; K113-R115 VanDerWaalsContact C-N 3.27Å; K113-R115 PolarHBondContact O-N 3.38Å; K113-F116 PolarHBondContact O-N 3.32Å |
| 114 | R | 73 | Confident | 75.1 | Confident | 142 Ų | 142 | 127.4 Ų | 127.4 | 54% | 0.536 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.6 | -18.7 | -177.1 | -72.2 | -175 | -179.4 | -172 | -1.1 | 114.7 | N112 F116 R117 | N112-R114 VanDerWaalsContact C-N 3.29Å; N112-R114 PolarHBondContact O-N 2.93Å; R114-F116 PolarHBondContact O-N 2.97Å; R114-R117 PolarHBondContact O-N 2.85Å |
| 115 | R | 60 | Low | 73.3 | Confident | 180 Ų | 180 | 133.2 Ų | 133.2 | 68% | 0.679 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.7 | -30.4 | 174.1 | -102.5 | -167.4 | -76.3 | -120.1 | 4.8 | 111.8 | N112 K113 | N112-R115 PolarHBondContact O-N 3.32Å; K113-R115 VanDerWaalsContact C-N 3.27Å; K113-R115 PolarHBondContact O-N 3.38Å |
| 116 | F | 56.6 | Low | 71.6 | Confident | 148 Ų | 148 | 136.9 Ų | 136.9 | 65% | 0.649 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -82.3 | -25.9 | -177.1 | -63.4 | -77.9 | 0 | 0 | 0 | 113.5 | K113 R114 | K113-F116 PolarHBondContact O-N 3.32Å; R114-F116 PolarHBondContact O-N 2.97Å |
| 117 | R | 60.3 | Low | 69.6 | Low | 226 Ų | 226 | 142.4 Ų | 142.4 | 85% | 0.853 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.9 | -17.1 | 178 | -64.3 | -161.8 | -162.1 | -174.8 | 4.5 | 115.1 | R114 | R114-R117 PolarHBondContact O-N 2.85Å |
| 118 | R | 59.1 | Low | 67.8 | Low | 199 Ų | 199 | 146.6 Ų | 146.6 | 75% | 0.751 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 0.6 | -177 | -71.8 | -164.9 | -172.9 | -159.9 | 1.9 | 114.9 | ||
| 119 | R | 59.1 | Low | 65.7 | Low | 208 Ų | 208 | 142.6 Ų | 142.6 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -93 | -4 | 178.5 | -159.6 | 89.1 | -78.8 | -122.9 | 4.5 | 113.2 | ||
| 120 | F | 53.3 | Low | 63.8 | Low | 195 Ų | 195 | 143.1 Ų | 143.1 | 86% | 0.855 | 67% | 0.666 | S | S | * | * | trans | -117.1 | 50.8 | -179.8 | -121.5 | -90.4 | 0 | 0 | 0 | 111.3 | ||||
| 121 | I | 62.9 | Low | 61.6 | Low | 138 Ų | 138 | 147.1 Ų | 147.1 | 71% | 0.708 | 69% | 0.694 | S | S | * | * | trans | -95.4 | 108.4 | 152.4 | -58.8 | 175.8 | 0 | 0 | 0 | 103.7 | R123 | I121-R123 PolarHBondContact O-N 3.23Š| ||
| 122 | P | 53.8 | Low | 59.5 | Low | 99 Ų | 99 | 151.6 Ų | 151.6 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | trans | -56.9 | 120.1 | 171.9 | 24.1 | -30.3 | 0 | 0 | 0 | 106.6 | N124 | P122-N124 PolarHBondContact O-N 3.01Å; P122-N124 VanDerWaalsContact O-N 3.08Å | ||
| 123 | R | 58.9 | Low | 57.2 | Low | 226 Ų | 226 | 154.5 Ų | 154.5 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | -62.8 | 113.6 | 164.1 | -77.1 | 178.8 | 176.3 | 166 | -2.8 | 104.4 | I121 P125 | I121-R123 PolarHBondContact O-N 3.23Å; R123-P125 VanDerWaalsContact O-N 3.15Å | ||
| 124 | N | 55.9 | Low | 55.3 | Low | 140 Ų | 140 | 155.2 Ų | 155.2 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 126.9 | 168.2 | -83 | 22.8 | 0 | 0 | 0 | 107.7 | P122 R126 | P122-N124 PolarHBondContact O-N 3.01Å; P122-N124 VanDerWaalsContact O-N 3.08Å; N124-R126 PolarHBondContact O-N 3.14Å |
| 125 | P | 57.9 | Low | 53.8 | Low | 122 Ų | 122 | 156.4 Ų | 156.4 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 131.8 | 170.5 | -22 | 31.6 | 0 | 0 | 0 | 108 | R123 | R123-P125 VanDerWaalsContact O-N 3.15Š|
| 126 | R | 57.6 | Low | 53.1 | Low | 231 Ų | 231 | 151.1 Ų | 151.1 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 133.4 | 171.4 | -74.5 | 177.9 | 175.6 | 172.1 | -4 | 107 | N124 A128 | N124-R126 PolarHBondContact O-N 3.14Å; R126-A128 PolarHBondContact O-N 3.22Å |
| 127 | P | 53.9 | Low | 52.1 | Low | 125 Ų | 125 | 153.1 Ų | 153.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 131.3 | 172 | 24.8 | -30.7 | 0 | 0 | 0 | 108 | ||
| 128 | A | 56.7 | Low | 51 | Low | 89 Ų | 89 | 146.4 Ų | 146.4 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 135.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | R126 Q130 | R126-A128 PolarHBondContact O-N 3.22Å; A128-Q130 PolarHBondContact O-N 2.85Å; A128-Q130 VanDerWaalsContact O-N 3.16Å |
| 129 | D | 49.1 | Very low | 50.4 | Low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -69.5 | 102.9 | 173.5 | -155.2 | -2 | 0 | 0 | 0 | 107.6 | S131 | D129-S131 PolarHBondContact O-N 2.75Š| ||
| 130 | Q | 51.8 | Low | 49.6 | Very low | 192 Ų | 192 | 137.3 Ų | 137.3 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -87.6 | 88.5 | 171.1 | -72.9 | -174.2 | 15.8 | 0 | 0 | 107.8 | A128 | A128-Q130 PolarHBondContact O-N 2.85Å; A128-Q130 VanDerWaalsContact O-N 3.16Å | ||
| 131 | S | 46.4 | Very low | 49.2 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | trans | -136.7 | 81.2 | 166.9 | 67.7 | 0 | 0 | 0 | 0 | 110.1 | D129 | D129-S131 PolarHBondContact O-N 2.75Š| ||
| 132 | T | 47.5 | Very low | 48 | Very low | 140 Ų | 140 | 137 Ų | 137 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -147 | 113.3 | 150 | 10.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 133 | P | 44.1 | Very low | 47.2 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -79.1 | 126.5 | 166.9 | 31.7 | -26.8 | 0 | 0 | 0 | 107.8 | ||||
| 134 | A | 42.5 | Very low | 46.3 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -111.2 | 121 | 164.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 135 | D | 42 | Very low | 45.6 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | -53 | 147 | -179.8 | -65.7 | -63.4 | 0 | 0 | 0 | 113.4 | ||||
| 136 | G | 46 | Very low | 44.9 | Very low | 68 Ų | 68 | 139.8 Ų | 139.8 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | 117.6 | 109.6 | 144 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 137 | Q | 35.9 | Very low | 44.4 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | 84.7 | 102 | 151 | -121.3 | 66.5 | 33.1 | 0 | 0 | 119.5 | ||||
| 138 | A | 37.3 | Very low | 43.9 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | -73.1 | 157.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 139 | P | 45.3 | Very low | 43.2 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | -138.3 | 157.7 | 81.5 | 33.2 | -16.7 | 0 | 0 | 0 | 115 | |||||
| 140 | A | 42.4 | Very low | 43.3 | Very low | 90 Ų | 90 | 149.6 Ų | 149.6 | 74% | 0.744 | 84% | 0.835 | S | S | * | * | trans | -57.8 | 161.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 141 | P | 46.2 | Very low | 43.1 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | -136.1 | 159.3 | 107.9 | 36.6 | -25.7 | 0 | 0 | 0 | 115.1 | |||||
| 142 | E | 37.8 | Very low | 43.3 | Very low | 198 Ų | 198 | 147 Ų | 147 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | trans | -55.9 | 145.1 | -179.6 | -58.2 | 167 | 161.1 | 0 | 0 | 113.1 | ||||
| 143 | G | 36.9 | Very low | 43.7 | Very low | 71 Ų | 71 | 146.1 Ų | 146.1 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | trans | 163.5 | 87.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 144 | E | 38 | Very low | 44.2 | Very low | 198 Ų | 198 | 151.8 Ų | 151.8 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | 68.9 | 135.3 | 140.4 | -56.3 | -172.9 | 167.3 | 0 | 0 | 121.8 | ||||
| 145 | Q | 43.1 | Very low | 44.7 | Very low | 192 Ų | 192 | 158.7 Ų | 158.7 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | trans | -83 | 121.9 | -170.9 | -58.6 | 160.3 | 22.8 | 0 | 0 | 109.6 | ||||
| 146 | M | 42.6 | Very low | 45.3 | Very low | 184 Ų | 184 | 162.1 Ų | 162.1 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | trans | -135.2 | 97.3 | 156 | -78.6 | -173.2 | 177.5 | 0 | 0 | 108.8 | E148 | M146-E148 PolarHBondContact O-N 3.09Š| ||
| 147 | E | 45.9 | Very low | 45.3 | Very low | 202 Ų | 202 | 170.2 Ų | 170.2 | 94% | 0.944 | 85% | 0.849 | S | S | * | * | trans | -73.8 | 76.5 | 172 | -159.5 | 176.6 | -159.2 | 0 | 0 | 108.6 | M149 | E147-M149 PolarHBondContact O-N 3.5Š| ||
| 148 | E | 43.7 | Very low | 45.9 | Very low | 178 Ų | 178 | 167 Ų | 167 | 83% | 0.832 | 85% | 0.845 | S | S | * | * | trans | -85.7 | 112.3 | 177.4 | -163.3 | 167.7 | -175.4 | 0 | 0 | 110.8 | M146 R150 | M146-E148 PolarHBondContact O-N 3.09Å; E148-R150 PolarHBondContact O-N 3.38Å; E148-R150 VanDerWaalsContact O-N 3.15Å | ||
| 149 | M | 43.2 | Very low | 46.4 | Very low | 183 Ų | 183 | 174.5 Ų | 174.5 | 90% | 0.901 | 86% | 0.855 | S | S | * | * | trans | -38.8 | 107.6 | 178.9 | -71.8 | 171.9 | 162.6 | 0 | 0 | 114.3 | E147 | E147-M149 PolarHBondContact O-N 3.5Š| ||
| 150 | R | 50.1 | Low | 46.5 | Very low | 237 Ų | 237 | 179.8 Ų | 179.8 | 89% | 0.894 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 125.3 | 164.1 | -143.6 | 176.3 | -169.7 | -179 | 5.4 | 108.8 | E148 | E148-R150 PolarHBondContact O-N 3.38Å; E148-R150 VanDerWaalsContact O-N 3.15Å |
| 151 | P | 47.8 | Very low | 46.5 | Very low | 109 Ų | 109 | 181.1 Ų | 181.1 | 71% | 0.708 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 142.4 | 179.1 | 27.4 | -32.6 | 0 | 0 | 0 | 109.8 | ||
| 152 | P | 51.7 | Low | 46.1 | Very low | 114 Ų | 114 | 186.6 Ų | 186.6 | 74% | 0.74 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 145.5 | -174.5 | 25.9 | -33.5 | 0 | 0 | 0 | 110.9 | R154 | P152-R154 PolarHBondContact O-N 3.2Š|
| 153 | P | 54.9 | Low | 46 | Very low | 121 Ų | 121 | 184.9 Ų | 184.9 | 79% | 0.786 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 124.1 | 175.7 | 25.2 | -31.9 | 0 | 0 | 0 | 109.3 | R155 | P153-R155 PolarHBondContact O-N 3.25Š|
| 154 | R | 55.5 | Low | 46 | Very low | 246 Ų | 246 | 186.6 Ų | 186.6 | 93% | 0.928 | 86% | 0.86 | S | S | * | * | trans | -50.4 | 110.5 | 174.4 | -76 | -178.7 | 166.5 | 123.5 | -2.6 | 109.4 | P152 R156 | P152-R154 PolarHBondContact O-N 3.2Å; R154-R156 PolarHBondContact O-N 3.32Å; R154-R156 VanDerWaalsContact O-N 3.09Å | ||
| 155 | R | 52.3 | Low | 46.3 | Very low | 243 Ų | 243 | 183.6 Ų | 183.6 | 92% | 0.917 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 117.5 | 173.4 | -76.3 | -179.7 | 170.2 | -176.9 | -3.1 | 108.8 | P153 R157 | P153-R155 PolarHBondContact O-N 3.25Å; R155-R157 PolarHBondContact O-N 3.27Å; R155-R157 VanDerWaalsContact O-N 3.13Å |
| 156 | R | 53.7 | Low | 46.2 | Very low | 241 Ų | 241 | 182.6 Ų | 182.6 | 91% | 0.909 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 119.2 | 169.6 | -74.3 | -173.7 | 171.5 | -172.2 | 0.2 | 107 | R154 | R154-R156 PolarHBondContact O-N 3.32Å; R154-R156 VanDerWaalsContact O-N 3.09Å |
| 157 | R | 47.3 | Very low | 46.1 | Very low | 237 Ų | 237 | 181.1 Ų | 181.1 | 89% | 0.894 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -49 | 126.9 | 174.9 | -70.3 | -175.1 | 174.6 | -166.5 | -2.4 | 108.7 | R155 R159 | R155-R157 PolarHBondContact O-N 3.27Å; R155-R157 VanDerWaalsContact O-N 3.13Å; R157-R159 PolarHBondContact O-N 2.79Å |
| 158 | P | 47.3 | Very low | 46.2 | Very low | 123 Ų | 123 | 175.4 Ų | 175.4 | 80% | 0.799 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -60 | 137.4 | 177.3 | 23.8 | -30.9 | 0 | 0 | 0 | 108.7 | R160 | P158-R160 PolarHBondContact O-N 3.14Å; P158-R160 VanDerWaalsContact O-N 3.14Å |
| 159 | R | 48.8 | Very low | 45.7 | Very low | 243 Ų | 243 | 175.6 Ų | 175.6 | 92% | 0.917 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 119.9 | 171.8 | -78.2 | -178 | 174.2 | 147.1 | -1.5 | 107.2 | R157 | R157-R159 PolarHBondContact O-N 2.79Š|
| 160 | R | 46.2 | Very low | 45.8 | Very low | 238 Ų | 238 | 173.5 Ų | 173.5 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -48 | 124.4 | 171 | -148.7 | 179.2 | -167.2 | -156.2 | 3 | 108.4 | P158 R162 | P158-R160 PolarHBondContact O-N 3.14Å; P158-R160 VanDerWaalsContact O-N 3.14Å; R160-R162 PolarHBondContact O-N 3.09Å |
| 161 | P | 42.4 | Very low | 45.2 | Very low | 117 Ų | 117 | 168.1 Ų | 168.1 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 136.6 | 174.4 | 23 | -28.3 | 0 | 0 | 0 | 108.4 | L163 | P161-L163 PolarHBondContact O-N 3.03Š|
| 162 | R | 39.6 | Very low | 45.1 | Very low | 244 Ų | 244 | 171.4 Ų | 171.4 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | -72.7 | 113.4 | 174 | -76.4 | -177.2 | 169 | 165.7 | -5.1 | 107 | R160 S164 | R160-R162 PolarHBondContact O-N 3.09Å; R162-S164 PolarHBondContact O-N 3.07Å | ||
| 163 | L | 34.6 | Very low | 44.4 | Very low | 162 Ų | 162 | 175.4 Ų | 175.4 | 85% | 0.848 | 85% | 0.848 | S | S | * | * | trans | -60.5 | 114.8 | 163.4 | -127.7 | 75.9 | 0 | 0 | 0 | 107.1 | P161 T165 | P161-L163 PolarHBondContact O-N 3.03Å; L163-T165 PolarHBondContact O-N 3.34Å | ||
| 164 | S | 38 | Very low | 43.6 | Very low | 106 Ų | 106 | 178.1 Ų | 178.1 | 74% | 0.741 | 85% | 0.847 | S | S | * | * | trans | -76.6 | 101.8 | 164.8 | 47.8 | 0 | 0 | 0 | 0 | 107.4 | R162 Q166 | R162-S164 PolarHBondContact O-N 3.07Å; S164-Q166 VanDerWaalsContact C-N 3.31Å; S164-Q166 PolarHBondContact O-N 2.94Å; S164-Q166 VanDerWaalsContact O-N 3.1Å | ||
| 165 | T | 43 | Very low | 42.8 | Very low | 135 Ų | 135 | 173.2 Ų | 173.2 | 83% | 0.828 | 84% | 0.84 | S | S | * | * | trans | -71.9 | 94.6 | 158.5 | 12.9 | 0 | 0 | 0 | 0 | 107.2 | L163 | L163-T165 PolarHBondContact O-N 3.34Š| ||
| 166 | Q | 41.9 | Very low | 41.8 | Very low | 172 Ų | 172 | 165.6 Ų | 165.6 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -82.9 | 127.7 | 146.6 | -83.3 | 179.3 | -11.8 | 0 | 0 | 106.1 | S164 | S164-Q166 VanDerWaalsContact C-N 3.31Å; S164-Q166 PolarHBondContact O-N 2.94Å; S164-Q166 VanDerWaalsContact O-N 3.1Å | ||
| 167 | N | 40.1 | Very low | 41.2 | Very low | 153 Ų | 153 | 161.1 Ų | 161.1 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -10.4 | 124.1 | 170.3 | -50.2 | -39.5 | 0 | 0 | 0 | 114.1 | E169 | N167-E169 PolarHBondContact O-N 3.18Å; N167-E169 VanDerWaalsContact O-N 3.1Å | ||
| 168 | G | 47.1 | Very low | 40.7 | Very low | 81 Ų | 81 | 154.4 Ų | 154.4 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | -55 | 116.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 169 | E | 33.2 | Very low | 40.5 | Very low | 183 Ų | 183 | 158.2 Ų | 158.2 | 86% | 0.855 | 84% | 0.838 | S | S | * | * | trans | -159.4 | 121.9 | 152.4 | -107.6 | 166.5 | -178.4 | 0 | 0 | 106.7 | N167 | N167-E169 PolarHBondContact O-N 3.18Å; N167-E169 VanDerWaalsContact O-N 3.1Å | ||
| 170 | V | 45.8 | Very low | 39.9 | Very low | 138 Ų | 138 | 150.4 Ų | 150.4 | 84% | 0.836 | 83% | 0.833 | S | S | * | * | trans | -86.5 | 119.9 | 175.3 | 176.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 171 | V | 38.6 | Very low | 39.6 | Very low | 125 Ų | 125 | 146 Ų | 146 | 76% | 0.758 | 83% | 0.828 | S | S | * | * | trans | -132 | 107.7 | 163.6 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 172 | E | 44.8 | Very low | 39.8 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | trans | -70.4 | 136.3 | 155.7 | -75.2 | -173.3 | 129.6 | 0 | 0 | 108.2 | ||||
| 173 | E | 38.2 | Very low | 40.1 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -165.7 | 159.8 | 135.9 | -114.2 | 175.2 | 176 | 0 | 0 | 113.2 | ||||
| 174 | K | 36.2 | Very low | 40.9 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 77% | 0.774 | 82% | 0.817 | S | S | * | * | trans | -93 | 160.8 | -152.4 | -107.9 | 173.7 | 162.6 | -176.8 | 0 | 115 | ||||
| 175 | D | 39.7 | Very low | 41.2 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | 54.2 | 117.7 | 143.2 | -54 | -31.7 | 0 | 0 | 0 | 120.5 | ||||
| 176 | G | 31.8 | Very low | 41 | Very low | 82 Ų | 82 | 147 Ų | 147 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | 173.8 | 109.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 177 | V | 41 | Very low | 41.3 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | -76.5 | 137.7 | 179.7 | 177 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 178 | A | 36.1 | Very low | 41.9 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | -172.7 | 127.8 | 140.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 179 | E | 42.4 | Very low | 42 | Very low | 202 Ų | 202 | 153.5 Ų | 153.5 | 94% | 0.944 | 82% | 0.821 | S | S | * | * | trans | -60.7 | 145.8 | 168.5 | -65.2 | 175.8 | 138.2 | 0 | 0 | 111.6 | ||||
| 180 | G | 36.6 | Very low | 42.7 | Very low | 79 Ų | 79 | 155.8 Ų | 155.8 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | 178.7 | 101 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 181 | D | 40.2 | Very low | 42.7 | Very low | 147 Ų | 147 | 160 Ų | 160 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | trans | -61.2 | 163.1 | -178.7 | -154.4 | 0.1 | 0 | 0 | 0 | 113.3 | ||||
| 182 | Q | 47.7 | Very low | 42.9 | Very low | 156 Ų | 156 | 163.5 Ų | 163.5 | 73% | 0.729 | 83% | 0.828 | S | S | * | * | trans | 93.1 | 115.8 | 159.8 | -57.1 | 174.8 | 29 | 0 | 0 | 121 | ||||
| 183 | T | 44.8 | Very low | 42.9 | Very low | 122 Ų | 122 | 164.3 Ų | 164.3 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | trans | 82.2 | 94.9 | 144.2 | 63 | 0 | 0 | 0 | 0 | 119.4 | Q185 | T183-Q185 PolarHBondContact O-N 3.35Å; T183-Q185 VanDerWaalsContact O-N 3.15Å | ||
| 184 | Q | 51.7 | Low | 43.4 | Very low | 176 Ų | 176 | 165.8 Ų | 165.8 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -60.2 | 105.3 | 155.5 | -62.5 | 172.4 | 19.8 | 0 | 0 | 110.3 | ||||
| 185 | Q | 43.8 | Very low | 43.8 | Very low | 182 Ų | 182 | 163 Ų | 163 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -97.2 | 91.3 | 154.9 | -72.8 | -165.3 | 23.9 | 0 | 0 | 109.2 | T183 | T183-Q185 PolarHBondContact O-N 3.35Å; T183-Q185 VanDerWaalsContact O-N 3.15Å | ||
| 186 | M | 39.5 | Very low | 44 | Very low | 148 Ų | 148 | 166.2 Ų | 166.2 | 73% | 0.729 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -61 | 129.4 | 163.7 | -72.6 | -80 | -172.3 | 0 | 0 | 108.9 | Q188 | M186-Q188 PolarHBondContact O-N 3.47Š|
| 187 | P | 47.3 | Very low | 45 | Very low | 118 Ų | 118 | 174 Ų | 174 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -64 | 125.8 | 174.2 | 24.8 | -31.6 | 0 | 0 | 0 | 109.2 | R189 | P187-R189 PolarHBondContact O-N 3.25Å; P187-R189 VanDerWaalsContact O-N 3.1Å |
| 188 | Q | 54.1 | Low | 45.4 | Very low | 184 Ų | 184 | 178.1 Ų | 178.1 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 118.7 | -176.4 | -63.3 | -136.1 | -10.1 | 0 | 0 | 110.8 | M186 R190 | M186-Q188 PolarHBondContact O-N 3.47Å; Q188-R190 PolarHBondContact O-N 3.05Å |
| 189 | R | 48.3 | Very low | 46.2 | Very low | 240 Ų | 240 | 179 Ų | 179 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -56.8 | 105.1 | 168.3 | -76.4 | -178 | 156.2 | -144.3 | -3.8 | 108.1 | P187 R191 | P187-R189 PolarHBondContact O-N 3.25Å; P187-R189 VanDerWaalsContact O-N 3.1Å; R189-R191 PolarHBondContact O-N 2.88Å | ||
| 190 | R | 48.8 | Very low | 46.4 | Very low | 232 Ų | 232 | 179.2 Ų | 179.2 | 88% | 0.875 | 82% | 0.824 | S | S | * | * | trans | -51.9 | 103.4 | 165.7 | -75.9 | -178.7 | 165.2 | -118.8 | -1.2 | 107.8 | Q188 F192 | Q188-R190 PolarHBondContact O-N 3.05Å; R190-F192 PolarHBondContact O-N 3.08Å | ||
| 191 | R | 44.7 | Very low | 47.3 | Very low | 226 Ų | 226 | 186.7 Ų | 186.7 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -62 | 104.7 | 168.5 | -67.6 | -177.9 | -175.6 | -150.1 | 1.9 | 105.5 | R189 Y193 | R189-R191 PolarHBondContact O-N 2.88Å; R191-Y193 VanDerWaalsContact C-N 3.26Å; R191-Y193 PolarHBondContact O-N 3.27Å | ||
| 192 | F | 43.4 | Very low | 47.9 | Very low | 199 Ų | 199 | 185.2 Ų | 185.2 | 87% | 0.873 | 83% | 0.826 | S | S | * | * | trans | -59.3 | 98.1 | 162.6 | -85.2 | -89.2 | 0 | 0 | 0 | 106.7 | R190 R194 | R190-F192 PolarHBondContact O-N 3.08Å; F192-R194 PolarHBondContact O-N 3.06Å | ||
| 193 | Y | 43.8 | Very low | 48.1 | Very low | 193 Ų | 193 | 189.1 Ų | 189.1 | 76% | 0.757 | 83% | 0.834 | S | S | * | * | trans | -53.9 | 111.8 | 160.7 | -96.6 | -96.1 | 0 | 0 | 0 | 106.4 | R191 P195 | R191-Y193 VanDerWaalsContact C-N 3.26Å; R191-Y193 PolarHBondContact O-N 3.27Å; Y193-P195 WeakPolarHBondContact O-CD 3.38Å | ||
| 194 | R | 50 | Low | 48.7 | Very low | 229 Ų | 229 | 188.6 Ų | 188.6 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -59 | 119.5 | 163.6 | -81.4 | 162.8 | 89.7 | -174.5 | 5.9 | 105.2 | F192 Y196 | F192-R194 PolarHBondContact O-N 3.06Å; R194-Y196 PolarHBondContact O-N 3.28Å; R194-Y196 VanDerWaalsContact O-N 3.14Å |
| 195 | P | 44.1 | Very low | 48.7 | Very low | 120 Ų | 120 | 186 Ų | 186 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 127.2 | 176.7 | 25.2 | -31 | 0 | 0 | 0 | 107 | Y193 R197 | Y193-P195 WeakPolarHBondContact O-CD 3.38Å; P195-R197 PolarHBondContact O-N 3.15Å; P195-R197 VanDerWaalsContact O-N 3.09Å |
| 196 | Y | 43.3 | Very low | 49.3 | Very low | 211 Ų | 211 | 181.9 Ų | 181.9 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 119.3 | 174.6 | -82.3 | -98 | 0 | 0 | 0 | 108.9 | R194 R198 | R194-Y196 PolarHBondContact O-N 3.28Å; R194-Y196 VanDerWaalsContact O-N 3.14Å; Y196-R198 PolarHBondContact O-N 3.44Å |
| 197 | R | 54.1 | Low | 49.9 | Very low | 245 Ų | 245 | 182.4 Ų | 182.4 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -62.6 | 109.3 | 163.5 | -82.6 | -171.9 | 178.6 | -125.6 | 0.3 | 106.2 | P195 | P195-R197 PolarHBondContact O-N 3.15Å; P195-R197 VanDerWaalsContact O-N 3.09Å | ||
| 198 | R | 49.2 | Very low | 50.1 | Low | 236 Ų | 236 | 186.1 Ų | 186.1 | 89% | 0.891 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 128.2 | 169.7 | -99.5 | 178.9 | 167.4 | -160.7 | -3 | 109.1 | Y196 F200 | Y196-R198 PolarHBondContact O-N 3.44Å; R198-F200 PolarHBondContact O-N 3.22Å |
| 199 | P | 51.4 | Low | 49.8 | Very low | 115 Ų | 115 | 182.8 Ų | 182.8 | 75% | 0.747 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 136.4 | 169.5 | 25.4 | -29.9 | 0 | 0 | 0 | 108.9 | R201 | P199-R201 PolarHBondContact O-N 3.3Š|
| 200 | F | 46.7 | Very low | 49.6 | Very low | 205 Ų | 205 | 176.4 Ų | 176.4 | 90% | 0.899 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 119.7 | 178.4 | -141.8 | -96.8 | 0 | 0 | 0 | 108.6 | R198 | R198-F200 PolarHBondContact O-N 3.22Š|
| 201 | R | 56.8 | Low | 49.3 | Very low | 236 Ų | 236 | 169.5 Ų | 169.5 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 120.8 | 169.8 | -80.1 | -171.7 | 179.8 | -143.9 | 0.4 | 108.7 | P199 | P199-R201 PolarHBondContact O-N 3.3Š|
| 202 | P | 53.5 | Low | 49.1 | Very low | 117 Ų | 117 | 165.5 Ų | 165.5 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 149.8 | 171 | 27.8 | -29.9 | 0 | 0 | 0 | 110.5 | ||
| 203 | R | 50.8 | Low | 48.9 | Very low | 237 Ų | 237 | 165.6 Ų | 165.6 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 137 | -179 | -154.5 | 177.6 | -168.2 | -171 | 0.5 | 109.3 | ||
| 204 | P | 57.1 | Low | 48.9 | Very low | 111 Ų | 111 | 165 Ų | 165 | 72% | 0.721 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 151.6 | 175.3 | 28.1 | -33.2 | 0 | 0 | 0 | 111.3 | ||
| 205 | P | 52.7 | Low | 48.5 | Very low | 121 Ų | 121 | 160 Ų | 160 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 151.4 | 176 | 29.5 | -33.6 | 0 | 0 | 0 | 111.1 | ||
| 206 | A | 56 | Low | 48.1 | Very low | 96 Ų | 96 | 160.4 Ų | 160.4 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 124.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 207 | D | 51.5 | Low | 48 | Very low | 160 Ų | 160 | 154.8 Ų | 154.8 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 134 | 173.7 | -71.6 | -35.3 | 0 | 0 | 0 | 111.1 | ||
| 208 | Q | 51.2 | Low | 47.1 | Very low | 196 Ų | 196 | 148.9 Ų | 148.9 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -90.6 | 102.7 | 174.1 | -65 | 176.3 | -3.4 | 0 | 0 | 108.9 | ||||
| 209 | S | 47.9 | Very low | 46.7 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -163.3 | 88 | 160.9 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 210 | A | 43.6 | Very low | 45.9 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | trans | -170.4 | 71.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 211 | A | 43.5 | Very low | 45.1 | Very low | 87 Ų | 87 | 143.5 Ų | 143.5 | 72% | 0.719 | 82% | 0.817 | S | S | * | * | trans | -89.6 | 145.7 | 160 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 212 | D | 40.1 | Very low | 44.1 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | trans | 78.8 | 102.1 | 161 | -58.2 | -43 | 0 | 0 | 0 | 119.6 | ||||
| 213 | Q | 39.9 | Very low | 43.3 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 94% | 0.935 | 82% | 0.819 | S | S | * | * | -166.4 | 141.7 | 100.3 | -95.7 | 169.3 | 69.1 | 0 | 0 | 112.8 | |||||
| 214 | K | 43.6 | Very low | 42.6 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -74.5 | 172.1 | -169.2 | -63.8 | -176.6 | 175.6 | -179.1 | 0 | 114.6 | V216 | K214-V216 HydrophobicContact CB-CG2 4.44Å; K214-V216 HydrophobicContact CD-CG2 4.42Å | ||
| 215 | P | 42 | Very low | 41.5 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | -135.5 | 123.6 | 103.4 | 34.3 | -22 | 0 | 0 | 0 | 111.6 | |||||
| 216 | V | 35.9 | Very low | 40.7 | Very low | 128 Ų | 128 | 143 Ų | 143 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | 48.1 | 115.6 | 89.1 | -161.2 | 0 | 0 | 0 | 0 | 114.4 | K214 | K214-V216 HydrophobicContact CB-CG2 4.44Å; K214-V216 HydrophobicContact CD-CG2 4.42Å | |||
| 217 | A | 41.1 | Very low | 39.6 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -84.6 | 163.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 218 | S | 35.1 | Very low | 38.8 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -151.2 | 123.8 | 153.7 | 48.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 219 | E | 39.5 | Very low | 38.2 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -82.5 | 174.5 | 173.4 | -71.2 | -176.9 | 137.3 | 0 | 0 | 112.3 | ||||
| 220 | E | 35.2 | Very low | 37.5 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | 93.7 | 124.3 | 154.7 | -56.2 | -165.1 | 152.8 | 0 | 0 | 119.8 | ||||
| 221 | G | 31.1 | Very low | 37.2 | Very low | 72 Ų | 72 | 146.7 Ų | 146.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 130.7 | 99.6 | 131.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 222 | K | 35.1 | Very low | 36.7 | Very low | 202 Ų | 202 | 151 Ų | 151 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | trans | 80.6 | 113 | 137.5 | -65.7 | -178.5 | 176.8 | 179.2 | 0 | 122.6 | ||||
| 223 | E | 35.8 | Very low | 36.4 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | 22.2 | 134 | 124.4 | -59.7 | 178.2 | 167.6 | 0 | 0 | 122.2 | |||||
| 224 | Q | 37.5 | Very low | 37.1 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | trans | 145.1 | 107.6 | 132.6 | -78.4 | 173.8 | 41.2 | 0 | 0 | 110.1 | ||||
| 225 | Q | 33.7 | Very low | 36.5 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | 90.2 | 138.5 | 92.1 | -81 | -171.1 | 34.1 | 0 | 0 | 115.1 | |||||
| 226 | A | 35.5 | Very low | 36.1 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | 72.2 | 150 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 227 | E | 32.6 | Very low | 36.2 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | cis | -177.9 | 159.5 | -21.4 | -162.8 | -170.4 | 127.2 | 0 | 0 | 105 | ||||
| 228 | V | 35.5 | Very low | 36 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 65% | 0.648 | 79% | 0.79 | S | S | * | * | trans | 69.4 | 127.6 | 157.2 | -129.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 229 | K | 37.7 | Very low | 36.1 | Very low | 186 Ų | 186 | 148.8 Ų | 148.8 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | 95.9 | 107.9 | 127.1 | -117.3 | 171.9 | 177.5 | 177.5 | 0 | 120.2 | |||||
| 230 | Q | 34.8 | Very low | 36 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -47 | 158.3 | 145.7 | -60 | 172.4 | -2.3 | 0 | 0 | 111.9 | ||||
| 231 | V | 36 | Very low | 36 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | 172.9 | 125.8 | 127.3 | 154.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 232 | E | 33.6 | Very low | 36.1 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | 63.3 | 126.3 | 143.7 | -67.4 | 166.4 | 177.1 | 0 | 0 | 123.5 | ||||
| 233 | S | 33.3 | Very low | 36.3 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -55.3 | -179.8 | 145 | -38.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 234 | P | 54.2 | Low | 36.9 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | cis | -149.5 | -174.5 | 15.8 | 38 | -13.1 | 0 | 0 | 0 | 116.9 | ||||
| 235 | E | 32.6 | Very low | 36.9 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | 75.5 | 130.8 | 139.3 | -90.2 | 178.5 | 172.6 | 0 | 0 | 124.9 | ||||
| 236 | S | 32.7 | Very low | 37.3 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 74.8 | 151.7 | 142.3 | 76.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 237 | V | 37 | Very low | 37.4 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | cis | -157.5 | 153.5 | 34.2 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 238 | Q | 37.8 | Very low | 37.9 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -69.2 | 139.6 | 170.1 | -60.5 | 162.1 | -29.4 | 0 | 0 | 112.3 | ||||
| 239 | T | 37.9 | Very low | 38.2 | Very low | 139 Ų | 139 | 147 Ų | 147 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -145.4 | 136.2 | 145.2 | 51.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 240 | N | 36.8 | Very low | 38.7 | Very low | 174 Ų | 174 | 144 Ų | 144 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -88.4 | 143.6 | 169 | -67.4 | -55.2 | 0 | 0 | 0 | 108.7 | ||||
| 241 | G | 34.4 | Very low | 39.4 | Very low | 67 Ų | 67 | 147 Ų | 147 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | -160.5 | 99.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 242 | E | 34.8 | Very low | 39.9 | Very low | 198 Ų | 198 | 153.4 Ų | 153.4 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | 49.4 | 132.5 | 144.4 | -69.9 | 168.7 | 112.1 | 0 | 0 | 123 | ||||
| 243 | T | 38.6 | Very low | 40.5 | Very low | 133 Ų | 133 | 150.8 Ų | 150.8 | 82% | 0.816 | 82% | 0.823 | S | S | * | * | trans | -73.7 | -170.3 | 173.8 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 244 | P | 48.3 | Very low | 41 | Very low | 108 Ų | 108 | 151 Ų | 151 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | cis | -130.8 | 151 | -42.7 | 29.9 | -12.4 | 0 | 0 | 0 | 111.9 | ||||
| 245 | T | 37.1 | Very low | 40.6 | Very low | 147 Ų | 147 | 157.7 Ų | 157.7 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -153.4 | 132.9 | 155.2 | 41.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 246 | E | 41.8 | Very low | 41.2 | Very low | 203 Ų | 203 | 161.2 Ų | 161.2 | 95% | 0.949 | 84% | 0.843 | S | S | * | * | trans | -50.2 | 132.3 | 174.3 | -164.4 | 170.4 | -163 | 0 | 0 | 113.5 | ||||
| 247 | G | 37.5 | Very low | 41.8 | Very low | 66 Ų | 66 | 167.3 Ų | 167.3 | 68% | 0.68 | 85% | 0.849 | S | S | * | * | trans | 168.8 | 94 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 248 | Q | 43.3 | Very low | 42.1 | Very low | 190 Ų | 190 | 172.8 Ų | 172.8 | 89% | 0.888 | 86% | 0.856 | S | S | * | * | trans | 40.6 | 102.4 | 143 | -55.2 | -178.9 | 25.3 | 0 | 0 | 117.7 | P250 | Q248-P250 WeakPolarHBondContact O-CD 2.98Š| ||
| 249 | K | 43.4 | Very low | 42.4 | Very low | 208 Ų | 208 | 172.9 Ų | 172.9 | 90% | 0.904 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 119.5 | 169.6 | -69 | 177.7 | 179.2 | 176.2 | 0 | 111.2 | ||
| 250 | P | 46.5 | Very low | 42.7 | Very low | 123 Ų | 123 | 177.6 Ų | 177.6 | 80% | 0.799 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 138.7 | 164.5 | 29.9 | -30.7 | 0 | 0 | 0 | 110.9 | Q248 R252 | Q248-P250 WeakPolarHBondContact O-CD 2.98Å; P250-R252 PolarHBondContact O-N 2.97Å |
| 251 | R | 49.8 | Very low | 42.8 | Very low | 242 Ų | 242 | 176 Ų | 176 | 91% | 0.913 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 128.2 | -179.5 | -61 | 169.7 | 89.2 | 143.1 | 2.4 | 109.9 | ||
| 252 | R | 46.8 | Very low | 43.2 | Very low | 242 Ų | 242 | 178.1 Ų | 178.1 | 91% | 0.913 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 128.7 | 169.1 | -84.1 | 179.3 | 156 | -176 | -4.2 | 110.6 | P250 | P250-R252 PolarHBondContact O-N 2.97Š|
| 253 | P | 46.1 | Very low | 43.8 | Very low | 123 Ų | 123 | 177.6 Ų | 177.6 | 80% | 0.799 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 135.4 | 167.2 | 26.9 | -30.3 | 0 | 0 | 0 | 110.1 | R255 | P253-R255 PolarHBondContact O-N 3.35Š|
| 254 | S | 43.1 | Very low | 43.9 | Very low | 116 Ų | 116 | 176.4 Ų | 176.4 | 81% | 0.811 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 128 | 176.2 | 52.1 | 0 | 0 | 0 | 0 | 111 | R256 | S254-R256 PolarHBondContact O-N 3.16Š|
| 255 | R | 46.1 | Very low | 43.5 | Very low | 247 Ų | 247 | 177.2 Ų | 177.2 | 93% | 0.932 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 124.1 | 172.3 | -78.3 | -179.9 | 173.1 | 177.9 | -3.1 | 110.5 | P253 R257 | P253-R255 PolarHBondContact O-N 3.35Å; R255-R257 PolarHBondContact O-N 3.23Å |
| 256 | R | 44.8 | Very low | 43.7 | Very low | 246 Ų | 246 | 176.1 Ų | 176.1 | 93% | 0.928 | 85% | 0.851 | S | S | * | * | trans | -49.1 | 114.8 | 171.9 | -146.9 | 171.8 | -175.4 | -176.6 | 0.6 | 109.6 | S254 R258 | S254-R256 PolarHBondContact O-N 3.16Å; R256-R258 PolarHBondContact O-N 3.15Å; R256-R258 VanDerWaalsContact O-N 3.14Å | ||
| 257 | R | 45.3 | Very low | 43.7 | Very low | 235 Ų | 235 | 172.2 Ų | 172.2 | 89% | 0.887 | 85% | 0.845 | S | S | * | * | trans | -61.7 | 110.3 | 172 | -179 | 176.3 | 177.3 | 175.5 | -1.8 | 108 | R255 Q259 | R255-R257 PolarHBondContact O-N 3.23Å; R257-Q259 PolarHBondContact O-N 3.17Å; R257-Q259 VanDerWaalsContact O-N 3.07Å | ||
| 258 | R | 44 | Very low | 44 | Very low | 243 Ų | 243 | 179.6 Ų | 179.6 | 92% | 0.917 | 86% | 0.859 | S | S | * | * | trans | -51.4 | 113.7 | 170 | -86.4 | 178.3 | 169.2 | 169.8 | -4.6 | 108.7 | R256 R260 | R256-R258 PolarHBondContact O-N 3.15Å; R256-R258 VanDerWaalsContact O-N 3.14Å; R258-R260 PolarHBondContact O-N 3.38Å | ||
| 259 | Q | 43.6 | Very low | 44 | Very low | 181 Ų | 181 | 174.8 Ų | 174.8 | 85% | 0.846 | 85% | 0.851 | S | S | * | * | trans | -63.7 | 120.3 | 162.7 | -78.1 | 172.6 | -35.7 | 0 | 0 | 106.8 | R257 | R257-Q259 PolarHBondContact O-N 3.17Å; R257-Q259 VanDerWaalsContact O-N 3.07Å | ||
| 260 | R | 43.8 | Very low | 43.8 | Very low | 238 Ų | 238 | 176.1 Ų | 176.1 | 90% | 0.898 | 85% | 0.851 | S | S | * | * | trans | -92.9 | 108.7 | 171.1 | -166.4 | -176.3 | -89.1 | -145.6 | -3.4 | 104.5 | R258 S262 | R258-R260 PolarHBondContact O-N 3.38Å; R260-S262 PolarHBondContact O-N 3.35Å | ||
| 261 | N | 40.2 | Very low | 43.7 | Very low | 140 Ų | 140 | 178.8 Ų | 178.8 | 75% | 0.749 | 85% | 0.85 | S | S | * | * | trans | -63 | 119.2 | 173.3 | -67 | -6.1 | 0 | 0 | 0 | 107.7 | ||||
| 262 | S | 42.8 | Very low | 43 | Very low | 112 Ų | 112 | 174.8 Ų | 174.8 | 78% | 0.783 | 85% | 0.847 | S | S | * | * | trans | -105.7 | 100 | 167.7 | 51.5 | 0 | 0 | 0 | 0 | 106.9 | R260 | R260-S262 PolarHBondContact O-N 3.35Š| ||
| 263 | E | 47.6 | Very low | 42.9 | Very low | 186 Ų | 186 | 172.2 Ų | 172.2 | 87% | 0.869 | 85% | 0.845 | S | S | * | * | trans | -95.5 | 105.3 | 165.3 | -71 | -177.8 | 169.1 | 0 | 0 | 107.8 | ||||
| 264 | S | 39.8 | Very low | 42.9 | Very low | 109 Ų | 109 | 173.3 Ų | 173.3 | 76% | 0.762 | 85% | 0.85 | S | S | * | * | trans | -89.4 | 109.6 | 162.8 | 50.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 265 | S | 40.9 | Very low | 43.3 | Very low | 124 Ų | 124 | 176.4 Ų | 176.4 | 87% | 0.867 | 85% | 0.851 | S | S | * | * | trans | -95.9 | 100.9 | 169 | 47 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 266 | T | 40.7 | Very low | 43.1 | Very low | 125 Ų | 125 | 173.8 Ų | 173.8 | 77% | 0.767 | 85% | 0.847 | S | S | * | * | trans | -108.3 | 116 | 159.7 | 50.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 267 | S | 42.4 | Very low | 43 | Very low | 120 Ų | 120 | 167.3 Ų | 167.3 | 84% | 0.839 | 84% | 0.839 | S | S | * | * | trans | 159.3 | 116.9 | 136.1 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 268 | K | 42.4 | Very low | 42.4 | Very low | 221 Ų | 221 | 159.2 Ų | 159.2 | 96% | 0.961 | 83% | 0.829 | S | S | * | * | trans | -137.7 | 112.6 | 150.1 | -123.1 | 175.1 | -176.1 | 176.5 | 0 | 107.8 | ||||
| 269 | A | 43.3 | Very low | 42.3 | Very low | 89 Ų | 89 | 153.1 Ų | 153.1 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | trans | -124.5 | 160.9 | 166 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 270 | R | 39.8 | Very low | 42.4 | Very low | 236 Ų | 236 | 153.4 Ų | 153.4 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | trans | 92.2 | 135.5 | -175.3 | -57.1 | -178.9 | 177.7 | -155.1 | -1.8 | 112.2 | ||||
| 271 | K | 45.1 | Very low | 43.1 | Very low | 180 Ų | 180 | 148.1 Ų | 148.1 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | cis | -165.3 | 157 | 3.3 | -142.6 | 176.4 | 177.6 | -173.8 | 0 | 104.1 | ||||
| 272 | N | 34.6 | Very low | 42.9 | Very low | 158 Ų | 158 | 145 Ų | 145 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | 171.9 | 111.9 | 131.9 | -82.8 | -6.7 | 0 | 0 | 0 | 110.7 | ||||
| 273 | E | 44.6 | Very low | 43 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -110.1 | 137.8 | 150.3 | -68.5 | 179.6 | 152.7 | 0 | 0 | 106.1 | ||||
| 274 | T | 46.8 | Very low | 43.4 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -171.8 | 128.1 | 144.1 | -67.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 275 | E | 49.8 | Very low | 44.3 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -76.4 | 166.2 | -179.2 | -55.2 | -174.8 | 139.3 | 0 | 0 | 113.6 | ||||
| 276 | K | 42.1 | Very low | 44.6 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | 135.8 | 109.2 | 122.5 | -166.6 | 160.2 | -179 | -176.1 | 0 | 116.9 | |||||
| 277 | S | 42.9 | Very low | 44.5 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | 42.9 | 133.7 | 141.5 | 71.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 278 | G | 33.9 | Very low | 44.5 | Very low | 66 Ų | 66 | 145.2 Ų | 145.2 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | trans | 151.8 | 118.6 | 136 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 279 | S | 41.6 | Very low | 44.7 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 18.4 | 143.4 | 144.7 | 47.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 280 | E | 44.3 | Very low | 45.3 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | cis | -174.2 | 169.4 | 16.7 | -113.7 | -179.2 | 165.4 | 0 | 0 | 106.6 | ||||
| 281 | P | 60.4 | Low | 45.3 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -100.9 | 148.3 | -173.2 | 36.8 | -28.7 | 0 | 0 | 0 | 114 | ||||
| 282 | G | 34.1 | Very low | 45 | Very low | 76 Ų | 76 | 133.4 Ų | 133.4 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -156.5 | 116.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 283 | S | 45.3 | Very low | 45.2 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -52.6 | 163 | 167.1 | -50.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 284 | P | 56 | Low | 44.9 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | -155.7 | -157.1 | 93.8 | 44.5 | -22.8 | 0 | 0 | 0 | 113.4 | |||||
| 285 | P | 58.9 | Low | 44.6 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | -129.1 | -170.8 | -102.5 | 38 | -15.2 | 0 | 0 | 0 | 115.1 | |||||
| 286 | Q | 46.7 | Very low | 44.6 | Very low | 182 Ų | 182 | 129 Ų | 129 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -75.1 | 168.2 | -174.8 | -65.9 | -165.7 | -20.9 | 0 | 0 | 117.8 | ||||
| 287 | S | 38.5 | Very low | 45.3 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 88.8 | 141.3 | 154.9 | 88.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 288 | T | 44.2 | Very low | 45.4 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | cis | -156.9 | 154.6 | 36.8 | 45.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 289 | N | 45.1 | Very low | 45.7 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -90.3 | 156.4 | 150.4 | -88 | -20.3 | 0 | 0 | 0 | 107.2 | ||||
| 290 | P | 57.2 | Low | 46 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | -162.1 | -175.3 | 75.2 | 41.1 | -17.6 | 0 | 0 | 0 | 118.1 | |||||
| 291 | T | 39.1 | Very low | 46 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | 73.8 | 136.6 | 159.9 | 61.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 292 | G | 37.8 | Very low | 45.1 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | cis | 176.7 | 152 | 2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 293 | D | 39.5 | Very low | 45.9 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | 61.1 | 134.8 | 144.6 | -85 | -27 | 0 | 0 | 0 | 126.1 | ||||
| 294 | K | 39 | Very low | 46.4 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | 70.8 | 137.1 | 148.6 | -72.1 | 171.1 | 178.3 | 176.3 | 0 | 116.9 | ||||
| 295 | S | 40.6 | Very low | 46 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | cis | -174.5 | 143.7 | 14 | 31 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 296 | T | 48.8 | Very low | 45.6 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -82.7 | -173.2 | 164.3 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 297 | P | 57.1 | Low | 45.7 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | cis | -128.2 | 169.6 | -32.2 | 22.1 | -0.4 | 0 | 0 | 0 | 112 | ||||
| 298 | K | 44.4 | Very low | 46.9 | Very low | 214 Ų | 214 | 136.9 Ų | 136.9 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -140.8 | 144.4 | 153.5 | -108.9 | 180 | -174.2 | 176.7 | 0 | 112 | ||||
| 299 | S | 39.9 | Very low | 47 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -106.9 | 145.7 | -160.4 | 43.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 300 | S | 49.5 | Very low | 47.5 | Very low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -164.8 | 100.1 | 150.1 | 48 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 301 | K | 42.8 | Very low | 47.9 | Very low | 207 Ų | 207 | 142 Ų | 142 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | 44.4 | 95.9 | 76.4 | -105.4 | -179.5 | -176.6 | 176.1 | 0 | 113.9 | |||||
| 302 | S | 42.3 | Very low | 48.3 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | 178.5 | 128.5 | 115.6 | 44.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 303 | S | 50.8 | Low | 48.9 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -99.6 | -163.6 | 174.2 | -49.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 304 | P | 55.7 | Low | 49.9 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | -100.5 | 169.1 | -120.9 | 31.8 | -11 | 0 | 0 | 0 | 114 | |||||
| 305 | K | 48.7 | Very low | 50.3 | Low | 209 Ų | 209 | 144.2 Ų | 144.2 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -136.1 | 95.5 | 167.5 | -92.8 | -175.5 | 176.6 | 178.5 | 0 | 112.9 | ||||
| 306 | T | 50 | Low | 51 | Low | 131 Ų | 131 | 143.6 Ų | 143.6 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | 17.4 | 129.4 | 123.1 | -25.7 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 307 | S | 48.3 | Very low | 51.2 | Low | 111 Ų | 111 | 145.5 Ų | 145.5 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -64.7 | 161.6 | 160 | -42.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 308 | P | 62.9 | Low | 50.8 | Low | 119 Ų | 119 | 146.7 Ų | 146.7 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -136 | 128.5 | 134.6 | 31.2 | -15.5 | 0 | 0 | 0 | 111.1 | ||||
| 309 | K | 47.7 | Very low | 51.1 | Low | 201 Ų | 201 | 140.3 Ų | 140.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | 73.3 | 112.5 | 82 | -161.1 | 173.8 | -177.4 | 178.9 | 0 | 113.4 | |||||
| 310 | M | 55.1 | Low | 51.4 | Low | 167 Ų | 167 | 140.8 Ų | 140.8 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | trans | -52.6 | 159.9 | 167.4 | -56.2 | 170 | 74.2 | 0 | 0 | 112.5 | ||||
| 311 | P | 64.7 | Low | 51.3 | Low | 128 Ų | 128 | 143.8 Ų | 143.8 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -111.8 | 148.1 | 139.6 | 33.1 | -27.8 | 0 | 0 | 0 | 112.7 | ||||
| 312 | K | 49.3 | Very low | 51.9 | Low | 189 Ų | 189 | 138.6 Ų | 138.6 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -107.5 | 154.7 | -178.1 | -167.2 | -178.6 | 179.8 | 176.2 | 0 | 107.6 | ||||
| 313 | S | 50.6 | Low | 52.3 | Low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | 85.2 | 157.8 | 158.3 | -51.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 314 | P | 60.1 | Low | 52.4 | Low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | cis | -132.7 | 164.3 | 11.2 | 38.2 | -19.9 | 0 | 0 | 0 | 117.6 | ||||
| 315 | E | 46.3 | Very low | 52.1 | Low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -47.6 | 142.3 | 151.7 | -81.5 | 158.9 | 119.1 | 0 | 0 | 112 | ||||
| 316 | A | 56.6 | Low | 52.4 | Low | 101 Ų | 101 | 139.1 Ų | 139.1 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -137.3 | 114 | 149.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 317 | E | 52.2 | Low | 52.6 | Low | 172 Ų | 172 | 145.7 Ų | 145.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -63.6 | 155.6 | 156.9 | -58.1 | -168.1 | 147.7 | 0 | 0 | 110 | ||||
| 318 | V | 47.9 | Very low | 52.9 | Low | 141 Ų | 141 | 147.5 Ų | 147.5 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | 161.5 | 140.6 | 130.3 | 161.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 319 | A | 51.5 | Low | 52.3 | Low | 79 Ų | 79 | 148.9 Ų | 148.9 | 65% | 0.653 | 82% | 0.815 | S | S | * | * | trans | 87.1 | 104.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 320 | T | 46.6 | Very low | 52.6 | Low | 123 Ų | 123 | 146.1 Ų | 146.1 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | 71.8 | 132.9 | 62.2 | 63.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 321 | E | 46.7 | Very low | 52.4 | Low | 179 Ų | 179 | 144.8 Ų | 144.8 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | 74.7 | 143.9 | 162 | -71.4 | -174.4 | 113.2 | 0 | 0 | 117.3 | ||||
| 322 | V | 55 | Low | 51.7 | Low | 98 Ų | 98 | 145.9 Ų | 145.9 | 59% | 0.594 | 81% | 0.81 | S | S | * | * | cis | -171.2 | 154 | 6.7 | 131.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 323 | E | 50.5 | Low | 51.8 | Low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 31.3 | 126 | 152.1 | -65.3 | 176.1 | 133.5 | 0 | 0 | 121.8 | ||||
| 324 | A | 53.4 | Low | 51.9 | Low | 82 Ų | 82 | 146.1 Ų | 146.1 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | 83.5 | 121.5 | 81.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 325 | Q | 49.3 | Very low | 51.3 | Low | 183 Ų | 183 | 147.9 Ų | 147.9 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | 48 | 153.2 | 140.3 | -60.2 | -174.9 | -0.2 | 0 | 0 | 122.2 | ||||
| 326 | T | 56.3 | Low | 51.7 | Low | 141 Ų | 141 | 145 Ų | 145 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | 91.2 | 128.3 | 177.1 | 70.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 327 | E | 54.3 | Low | 51.3 | Low | 269 Ų | 269 | 149 Ų | 149 | 100% | 1.257 | 81% | 0.814 | S | S | * | * | cis | -131 | 0 | 7.4 | -76.8 | 176.5 | 117.5 | 0 | 0 | 111.3 |
Retrieved 327 of 327 residues in 116.1 ms
(Link to these results)