| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43 | Very low | 63 | Low | 241 Ų | 241 | 138.7 Ų | 138.7 | 100% | 1.187 | 76% | 0.756 | S | S | * | * | 0 | 146.6 | 0 | -66.1 | 167.8 | 179.5 | 0 | 0 | 107 | |||||
| 2 | A | 51 | Low | 63.9 | Low | 92 Ų | 92 | 141.2 Ų | 141.2 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -91.3 | 112.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | C4 | A2-C4 PolarHBondContact O-N 2.94Å; A2-C4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | E | 55.8 | Low | 65 | Low | 166 Ų | 166 | 138.4 Ų | 138.4 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -78 | 93.5 | 178 | -70 | 176.6 | -170.5 | 0 | 0 | 109.9 | N5 | E3-N5 PolarHBondContact O-N 3.01Å; E3-N5 PolarHBondContact O-ND2 2.77Å | ||
| 4 | C | 52.5 | Low | 66.1 | Low | 111 Ų | 111 | 133.6 Ų | 133.6 | 75% | 0.75 | 72% | 0.719 | S | S | * | * | trans | -69.1 | 80.4 | 175 | -65.5 | 0 | 0 | 0 | 0 | 110.5 | A2 V6 | A2-C4 PolarHBondContact O-N 2.94Å; A2-C4 VanDerWaalsContact O-N 3.09Å; C4-V6 HydrophobicContact CB-CG2 4.47Å; C4-V6 PolarHBondContact O-N 3.13Å | ||
| 5 | N | 57.4 | Low | 67.5 | Low | 135 Ų | 135 | 127.1 Ų | 127.1 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | trans | -69.7 | 78 | 172.5 | -77.4 | -78.5 | 0 | 0 | 0 | 110.1 | E3 S7 | E3-N5 PolarHBondContact O-N 3.01Å; E3-N5 PolarHBondContact O-ND2 2.77Å; N5-S7 PolarHBondContact O-N 3.02Å; N5-S7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | V | 67.8 | Low | 68.7 | Low | 114 Ų | 114 | 126.4 Ų | 126.4 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | trans | -73.7 | 98.4 | 176.6 | -178 | 0 | 0 | 0 | 0 | 109 | C4 I8 | C4-V6 HydrophobicContact CB-CG2 4.47Å; C4-V6 PolarHBondContact O-N 3.13Å; V6-I8 HydrophobicContact CG1-CG1 4.27Å; V6-I8 PolarHBondContact O-N 3.06Å | ||
| 7 | S | 68.8 | Low | 69.8 | Low | 121 Ų | 121 | 130.1 Ų | 130.1 | 85% | 0.846 | 70% | 0.703 | S | S | * | * | trans | -67 | 92.6 | 172 | -61.2 | 0 | 0 | 0 | 0 | 110.6 | N5 D9 | N5-S7 PolarHBondContact O-N 3.02Å; N5-S7 VanDerWaalsContact O-N 3.1Å; S7-D9 PolarHBondContact O-N 2.81Å | ||
| 8 | I | 73.1 | Confident | 70.8 | Confident | 112 Ų | 112 | 129 Ų | 129 | 57% | 0.574 | 69% | 0.693 | S | S | * | * | trans | -68.6 | 117.2 | -178.4 | -57.2 | -179.8 | 0 | 0 | 0 | 110.2 | V6 Q10 L13 | V6-I8 HydrophobicContact CG1-CG1 4.27Å; V6-I8 PolarHBondContact O-N 3.06Å; I8-Q10 PolarHBondContact O-N 3.22Å; I8-L13 HydrophobicContact CG2-CD1 3.91Å; I8-L13 HydrophobicContact CG2-CD2 3.71Å; I8-L13 HydrophobicContact CG2-CG 3.97Å | ||
| 9 | D | 78 | Confident | 71.9 | Confident | 70 Ų | 70 | 124.8 Ų | 124.8 | 37% | 0.374 | 67% | 0.672 | S | S | . | * | trans | -70.4 | 95.6 | 175.9 | -177.2 | -1.6 | 0 | 0 | 0 | 110.5 | S7 K11 K12 | S7-D9 PolarHBondContact O-N 2.81Å; D9-K11 PolarHBondContact O-N 3.03Å; D9-K11 WeakPolarHBondContact OD1-CB 3.48Å; D9-K11 PolarHBondContact OD1-N 3.02Å; D9-K11 VanDerWaalsContact OD1-N 3.13Å; D9-K12 HydrophobicContact CB-CB 4.43Å; D9-K12 HydrophobicContact CB-CD 4.37Å; D9-K12 PolarHBondContact O-N 2.91Å; D9-K12 WeakPolarHBondContact OD2-CD 3.21Å; D9-K12 WeakPolarHBondContact OD2-CE 3.45Å; D9-K12 WeakPolarHBondContact OD2-CG 3.15Å; D9-K12 IonicContact OD2-NZ 3.06Å; D9-K12 PolarHBondContact OD2-NZ 3.28Å | ||
| 10 | Q | 72.1 | Confident | 72.8 | Confident | 167 Ų | 167 | 122.6 Ų | 122.6 | 78% | 0.78 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -16.3 | -178.5 | -64 | -179 | 2.3 | 0 | 0 | 113.7 | I8 K12 | I8-Q10 PolarHBondContact O-N 3.22Å; Q10-K12 VanDerWaalsContact C-N 3.33Å |
| 11 | K | 73.6 | Confident | 73.8 | Confident | 197 Ų | 197 | 123.5 Ų | 123.5 | 86% | 0.857 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -5.3 | 176 | -60.9 | -178.5 | -179.5 | 178.7 | 0 | 113.5 | D9 | D9-K11 PolarHBondContact O-N 3.03Å; D9-K11 WeakPolarHBondContact OD1-CB 3.48Å; D9-K11 PolarHBondContact OD1-N 3.02Å; D9-K11 VanDerWaalsContact OD1-N 3.13Å |
| 12 | K | 74.1 | Confident | 76.1 | Confident | 168 Ų | 168 | 116.2 Ų | 116.2 | 73% | 0.73 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -115.1 | -0 | 176.4 | -70.2 | 179.5 | -173.4 | 146.9 | 0 | 113.8 | D9 Q10 | D9-K12 HydrophobicContact CB-CB 4.43Å; D9-K12 HydrophobicContact CB-CD 4.37Å; D9-K12 PolarHBondContact O-N 2.91Å; D9-K12 WeakPolarHBondContact OD2-CD 3.21Å; D9-K12 WeakPolarHBondContact OD2-CE 3.45Å; D9-K12 WeakPolarHBondContact OD2-CG 3.15Å; D9-K12 IonicContact OD2-NZ 3.06Å; D9-K12 PolarHBondContact OD2-NZ 3.28Å; Q10-K12 VanDerWaalsContact C-N 3.33Å |
| 13 | L | 78.4 | Confident | 78.2 | Confident | 105 Ų | 105 | 118.6 Ų | 118.6 | 55% | 0.55 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -71.8 | 125 | 173.7 | -70.5 | 177.6 | 0 | 0 | 0 | 109.3 | I8 | I8-L13 HydrophobicContact CG2-CD1 3.91Å; I8-L13 HydrophobicContact CG2-CD2 3.71Å; I8-L13 HydrophobicContact CG2-CG 3.97Å |
| 14 | P | 80.1 | Confident | 80 | Confident | 72 Ų | 72 | 112.9 Ų | 112.9 | 47% | 0.468 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 148.4 | 171.5 | 25.6 | -33.5 | 0 | 0 | 0 | 110.3 | E18 V19 | P14-E18 HydrophobicContact CB-CB 4.47Å; P14-V19 HydrophobicContact CB-CG2 3.96Å; P14-V19 HydrophobicContact CG-CG2 3.57Å |
| 15 | G | 87.3 | Confident | 82 | Confident | 35 Ų | 35 | 111.6 Ų | 111.6 | 36% | 0.361 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 144.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | K17 E18 V19 | G15-K17 PolarHBondContact O-N 3.1Å; G15-E18 PolarHBondContact N-OE2 2.88Å; G15-E18 WeakPolarHBondContact O-CA 3.42Å; G15-E18 WeakPolarHBondContact O-CB 3.42Å; G15-E18 PolarHBondContact O-N 3.23Å; G15-V19 PolarHBondContact O-N 3.28Å |
| 16 | V | 86.8 | Confident | 83.8 | Confident | 116 Ų | 116 | 110.3 Ų | 110.3 | 70% | 0.703 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -52.5 | -34.6 | -178.9 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | C20 | V16-C20 WeakPolarHBondContact O-CB 3.39Å; V16-C20 PolarHBondContact O-N 2.95Å; V16-C20 PolarHBondContact O-SG 3.01Å |
| 17 | K | 87.8 | Confident | 85.1 | Confident | 189 Ų | 189 | 111.9 Ų | 111.9 | 82% | 0.822 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.5 | -30.8 | 175.8 | -64.7 | -175.8 | 178.4 | -178 | 0 | 114 | G15 K21 | G15-K17 PolarHBondContact O-N 3.1Å; K17-K21 WeakPolarHBondContact O-CB 3.34Å; K17-K21 PolarHBondContact O-N 3.38Å |
| 18 | E | 87.6 | Confident | 86.5 | Confident | 111 Ų | 111 | 111.3 Ų | 111.3 | 52% | 0.519 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74.3 | -48.7 | 176.1 | -58 | 172.5 | 143.5 | 0 | 0 | 108.6 | P14 G15 C20 K21 D22 | P14-E18 HydrophobicContact CB-CB 4.47Å; G15-E18 PolarHBondContact N-OE2 2.88Å; G15-E18 WeakPolarHBondContact O-CA 3.42Å; G15-E18 WeakPolarHBondContact O-CB 3.42Å; G15-E18 PolarHBondContact O-N 3.23Å; E18-C20 PolarHBondContact O-N 3.29Å; E18-K21 WeakPolarHBondContact O-CA 3.37Å; E18-K21 WeakPolarHBondContact O-CB 3.49Å; E18-K21 PolarHBondContact O-N 3.1Å; E18-D22 PolarHBondContact O-N 2.82Å |
| 19 | V | 90.7 | Very high | 87.6 | Confident | 50 Ų | 50 | 112 Ų | 112 | 30% | 0.303 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -54.7 | -48.8 | 173.8 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | P14 G15 K21 D22 F23 | P14-V19 HydrophobicContact CB-CG2 3.96Å; P14-V19 HydrophobicContact CG-CG2 3.57Å; G15-V19 PolarHBondContact O-N 3.28Å; V19-K21 VanDerWaalsContact C-N 3.28Å; V19-K21 PolarHBondContact O-N 2.92Å; V19-D22 PolarHBondContact O-N 3.17Å; V19-F23 HydrophobicContact CG1-CD2 3.68Å; V19-F23 HydrophobicContact CG1-CE2 3.78Å; V19-F23 WeakPolarHBondContact O-CD2 3.43Å; V19-F23 PolarHBondContact O-N 2.98Å |
| 20 | C | 91.2 | Very high | 88.4 | Confident | 80 Ų | 80 | 111.8 Ų | 111.8 | 54% | 0.541 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.5 | -32.9 | 176.9 | -70.4 | 0 | 0 | 0 | 0 | 113.2 | V16 E18 A24 | V16-C20 WeakPolarHBondContact O-CB 3.39Å; V16-C20 PolarHBondContact O-N 2.95Å; V16-C20 PolarHBondContact O-SG 3.01Å; E18-C20 PolarHBondContact O-N 3.29Å; C20-A24 WeakPolarHBondContact O-CB 3.42Å; C20-A24 PolarHBondContact O-N 3.35Å; C20-A24 VanDerWaalsContact O-N 3.1Å |
| 21 | K | 92.3 | Very high | 89.7 | Confident | 142 Ų | 142 | 108.7 Ų | 108.7 | 62% | 0.617 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.9 | -43.9 | 175.9 | -176.6 | -164.8 | 172.4 | -158.6 | 0 | 111 | K17 E18 V19 A24 V25 | K17-K21 WeakPolarHBondContact O-CB 3.34Å; K17-K21 PolarHBondContact O-N 3.38Å; E18-K21 WeakPolarHBondContact O-CA 3.37Å; E18-K21 WeakPolarHBondContact O-CB 3.49Å; E18-K21 PolarHBondContact O-N 3.1Å; V19-K21 VanDerWaalsContact C-N 3.28Å; V19-K21 PolarHBondContact O-N 2.92Å; K21-A24 PolarHBondContact O-N 3.37Å; K21-V25 WeakPolarHBondContact O-CG2 3.46Å; K21-V25 PolarHBondContact O-N 2.84Å |
| 22 | D | 91.8 | Very high | 90.8 | Very high | 88 Ų | 88 | 101.8 Ų | 101.8 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 179.9 | -63.6 | -18.2 | 0 | 0 | 0 | 111 | E18 V19 V25 L26 | E18-D22 PolarHBondContact O-N 2.82Å; V19-D22 PolarHBondContact O-N 3.17Å; D22-V25 PolarHBondContact O-N 3.22Å; D22-L26 WeakPolarHBondContact O-CB 3.36Å; D22-L26 VanDerWaalsContact O-CG 3.27Å; D22-L26 WeakPolarHBondContact O-CG 3.47Å; D22-L26 PolarHBondContact O-N 3.47Å |
| 23 | F | 94.4 | Very high | 91.9 | Very high | 142 Ų | 142 | 99.5 Ų | 99.5 | 62% | 0.623 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 170.8 | -91.6 | -75 | 0 | 0 | 0 | 112.9 | V19 V25 L26 E27 | V19-F23 HydrophobicContact CG1-CD2 3.68Å; V19-F23 HydrophobicContact CG1-CE2 3.78Å; V19-F23 WeakPolarHBondContact O-CD2 3.43Å; V19-F23 PolarHBondContact O-N 2.98Å; F23-V25 VanDerWaalsContact C-N 3.35Å; F23-V25 PolarHBondContact O-N 2.94Å; F23-L26 PolarHBondContact O-N 3.4Å; F23-E27 WeakPolarHBondContact O-CB 3.15Å; F23-E27 PolarHBondContact O-N 3.18Å |
| 24 | A | 93.8 | Very high | 92.8 | Very high | 45 Ų | 45 | 98.4 Ų | 98.4 | 37% | 0.372 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C20 K21 L26 E27 D28 | C20-A24 WeakPolarHBondContact O-CB 3.42Å; C20-A24 PolarHBondContact O-N 3.35Å; C20-A24 VanDerWaalsContact O-N 3.1Å; K21-A24 PolarHBondContact O-N 3.37Å; A24-L26 VanDerWaalsContact C-N 3.33Å; A24-L26 PolarHBondContact O-N 2.88Å; A24-E27 PolarHBondContact O-N 2.92Å; A24-D28 WeakPolarHBondContact O-CB 3.26Å; A24-D28 PolarHBondContact O-N 3.45Å |
| 25 | V | 95 | Very high | 93.6 | Very high | 84 Ų | 84 | 99.6 Ų | 99.6 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 175.4 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | K21 D22 F23 H29 | K21-V25 WeakPolarHBondContact O-CG2 3.46Å; K21-V25 PolarHBondContact O-N 2.84Å; D22-V25 PolarHBondContact O-N 3.22Å; F23-V25 VanDerWaalsContact C-N 3.35Å; F23-V25 PolarHBondContact O-N 2.94Å; V25-H29 WeakPolarHBondContact O-CB 3.27Å; V25-H29 PolarHBondContact O-N 2.93Å |
| 26 | L | 95.9 | Very high | 94.1 | Very high | 109 Ų | 109 | 103.1 Ų | 103.1 | 57% | 0.571 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.3 | -36.8 | 175.2 | -73.4 | 167.4 | 0 | 0 | 0 | 112.7 | D22 F23 A24 S30 | D22-L26 WeakPolarHBondContact O-CB 3.36Å; D22-L26 VanDerWaalsContact O-CG 3.27Å; D22-L26 WeakPolarHBondContact O-CG 3.47Å; D22-L26 PolarHBondContact O-N 3.47Å; F23-L26 PolarHBondContact O-N 3.4Å; A24-L26 VanDerWaalsContact C-N 3.33Å; A24-L26 PolarHBondContact O-N 2.88Å; L26-S30 VanDerWaalsContact O-CB 3.28Å; L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 2.91Å |
| 27 | E | 95.3 | Very high | 94.6 | Very high | 147 Ų | 147 | 100.9 Ų | 100.9 | 69% | 0.687 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67 | -49.8 | 175 | -173.5 | 169 | -165.1 | 0 | 0 | 110.9 | F23 A24 H29 S30 L31 | F23-E27 WeakPolarHBondContact O-CB 3.15Å; F23-E27 PolarHBondContact O-N 3.18Å; A24-E27 PolarHBondContact O-N 2.92Å; E27-H29 VanDerWaalsContact C-N 3.33Å; E27-H29 PolarHBondContact O-N 2.74Å; E27-S30 PolarHBondContact O-N 3.47Å; E27-L31 WeakPolarHBondContact O-CB 3.24Å; E27-L31 PolarHBondContact O-N 3.31Å |
| 28 | D | 96.7 | Very high | 95.1 | Very high | 108 Ų | 108 | 97.7 Ų | 97.7 | 58% | 0.578 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.7 | -43.3 | 173.2 | -78.5 | -22 | 0 | 0 | 0 | 111.7 | A24 L31 A32 | A24-D28 WeakPolarHBondContact O-CB 3.26Å; A24-D28 PolarHBondContact O-N 3.45Å; D28-L31 PolarHBondContact O-N 2.86Å; D28-A32 VanDerWaalsContact O-CB 3.26Å; D28-A32 WeakPolarHBondContact O-CB 3.34Å; D28-A32 PolarHBondContact O-N 2.84Å |
| 29 | H | 96.4 | Very high | 95.5 | Very high | 128 Ų | 128 | 98 Ų | 98 | 59% | 0.593 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68 | -40.3 | 179.4 | -175.5 | 39.6 | 0 | 0 | 0 | 112.3 | V25 E27 A32 Y33 | V25-H29 WeakPolarHBondContact O-CB 3.27Å; V25-H29 PolarHBondContact O-N 2.93Å; E27-H29 VanDerWaalsContact C-N 3.33Å; E27-H29 PolarHBondContact O-N 2.74Å; H29-A32 PolarHBondContact O-N 3.09Å; H29-Y33 VanDerWaalsContact O-CB 3.32Å; H29-Y33 WeakPolarHBondContact O-CB 3.32Å; H29-Y33 PolarHBondContact O-N 3.34Å |
| 30 | S | 96.5 | Very high | 95.8 | Very high | 64 Ų | 64 | 98.8 Ų | 98.8 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 173.6 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | L26 E27 Y33 N34 | L26-S30 VanDerWaalsContact O-CB 3.28Å; L26-S30 WeakPolarHBondContact O-CB 3.39Å; L26-S30 PolarHBondContact O-N 2.91Å; E27-S30 PolarHBondContact O-N 3.47Å; S30-Y33 PolarHBondContact O-N 3.43Å; S30-N34 WeakPolarHBondContact O-CB 3.28Å; S30-N34 PolarHBondContact O-N 3.25Å; S30-N34 PolarHBondContact O-ND2 2.66Å |
| 31 | L | 97.6 | Very high | 96.1 | Very high | 102 Ų | 102 | 101.3 Ų | 101.3 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 176.4 | 178.8 | 58.9 | 0 | 0 | 0 | 111.6 | E27 D28 Y33 N34 L35 | E27-L31 WeakPolarHBondContact O-CB 3.24Å; E27-L31 PolarHBondContact O-N 3.31Å; D28-L31 PolarHBondContact O-N 2.86Å; L31-Y33 PolarHBondContact O-N 2.86Å; L31-N34 PolarHBondContact O-N 3.37Å; L31-L35 HydrophobicContact CD1-CD1 4.08Å; L31-L35 HydrophobicContact CD1-CG 4.27Å; L31-L35 HydrophobicContact CG-CD1 4.05Å; L31-L35 WeakPolarHBondContact O-CB 3.33Å; L31-L35 WeakPolarHBondContact O-CG 3.5Å; L31-L35 PolarHBondContact O-N 3.29Å |
| 32 | A | 97.5 | Very high | 96.4 | Very high | 52 Ų | 52 | 98.2 Ų | 98.2 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D28 H29 L35 Q36 | D28-A32 VanDerWaalsContact O-CB 3.26Å; D28-A32 WeakPolarHBondContact O-CB 3.34Å; D28-A32 PolarHBondContact O-N 2.84Å; H29-A32 PolarHBondContact O-N 3.09Å; A32-L35 PolarHBondContact O-N 2.93Å; A32-Q36 WeakPolarHBondContact O-CB 3.32Å; A32-Q36 PolarHBondContact O-N 3.41Å |
| 33 | Y | 97.6 | Very high | 96.6 | Very high | 120 Ų | 120 | 98.9 Ų | 98.9 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 176.2 | -179.8 | -105.2 | 0 | 0 | 0 | 111.9 | H29 S30 L31 L35 Q36 E37 | H29-Y33 VanDerWaalsContact O-CB 3.32Å; H29-Y33 WeakPolarHBondContact O-CB 3.32Å; H29-Y33 PolarHBondContact O-N 3.34Å; S30-Y33 PolarHBondContact O-N 3.43Å; L31-Y33 PolarHBondContact O-N 2.86Å; Y33-L35 VanDerWaalsContact C-N 3.35Å; Y33-L35 PolarHBondContact O-N 2.89Å; Y33-Q36 PolarHBondContact O-N 3.47Å; Y33-E37 HydrophobicContact CD1-CG 4.49Å; Y33-E37 HydrophobicContact CE1-CG 3.96Å; Y33-E37 HydrophobicContact CE2-CG 3.98Å; Y33-E37 VanDerWaalsContact CE2-OE1 3.32Å; Y33-E37 WeakPolarHBondContact CE2-OE1 3.49Å; Y33-E37 PolarHBondContact O-N 3.2Å; Y33-E37 PolarHBondContact OH-OE1 2.88Å |
| 34 | N | 96.6 | Very high | 96.7 | Very high | 83 Ų | 83 | 97.1 Ų | 97.1 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 178.1 | -74.3 | -62.5 | 0 | 0 | 0 | 112.8 | S30 L31 Q38 | S30-N34 WeakPolarHBondContact O-CB 3.28Å; S30-N34 PolarHBondContact O-N 3.25Å; S30-N34 PolarHBondContact O-ND2 2.66Å; L31-N34 PolarHBondContact O-N 3.37Å; N34-Q38 WeakPolarHBondContact O-CG 3.43Å; N34-Q38 PolarHBondContact O-N 2.99Å |
| 35 | L | 97.6 | Very high | 96.9 | Very high | 96 Ų | 96 | 98 Ų | 98 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 173.3 | -73 | 169.3 | 0 | 0 | 0 | 111.8 | L31 A32 Y33 Q38 E39 | L31-L35 HydrophobicContact CD1-CD1 4.08Å; L31-L35 HydrophobicContact CD1-CG 4.27Å; L31-L35 HydrophobicContact CG-CD1 4.05Å; L31-L35 WeakPolarHBondContact O-CB 3.33Å; L31-L35 WeakPolarHBondContact O-CG 3.5Å; L31-L35 PolarHBondContact O-N 3.29Å; A32-L35 PolarHBondContact O-N 2.93Å; Y33-L35 VanDerWaalsContact C-N 3.35Å; Y33-L35 PolarHBondContact O-N 2.89Å; L35-Q38 PolarHBondContact O-N 3.36Å; L35-E39 PolarHBondContact O-N 3Å |
| 36 | Q | 97.5 | Very high | 97 | Very high | 110 Ų | 110 | 96.1 Ų | 96.1 | 51% | 0.514 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 177.3 | -177.4 | 177.9 | 2.1 | 0 | 0 | 111.9 | A32 Y33 E39 I40 | A32-Q36 WeakPolarHBondContact O-CB 3.32Å; A32-Q36 PolarHBondContact O-N 3.41Å; Y33-Q36 PolarHBondContact O-N 3.47Å; Q36-E39 PolarHBondContact O-N 2.95Å; Q36-I40 HydrophobicContact CG-CD1 3.86Å; Q36-I40 WeakPolarHBondContact O-CB 3.43Å; Q36-I40 VanDerWaalsContact O-CG1 3.25Å; Q36-I40 WeakPolarHBondContact O-CG1 3.27Å; Q36-I40 PolarHBondContact O-N 3.43Å |
| 37 | E | 96.9 | Very high | 97 | Very high | 68 Ų | 68 | 94.7 Ų | 94.7 | 32% | 0.318 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 175.7 | -68.2 | -66.4 | 176.2 | 0 | 0 | 111.3 | Y33 E39 I40 E41 | Y33-E37 HydrophobicContact CD1-CG 4.49Å; Y33-E37 HydrophobicContact CE1-CG 3.96Å; Y33-E37 HydrophobicContact CE2-CG 3.98Å; Y33-E37 VanDerWaalsContact CE2-OE1 3.32Å; Y33-E37 WeakPolarHBondContact CE2-OE1 3.49Å; Y33-E37 PolarHBondContact O-N 3.2Å; Y33-E37 PolarHBondContact OH-OE1 2.88Å; E37-E39 PolarHBondContact O-N 3.21Å; E37-I40 PolarHBondContact O-N 3.47Å; E37-E41 WeakPolarHBondContact O-CB 3.32Å; E37-E41 WeakPolarHBondContact O-CG 3.25Å; E37-E41 PolarHBondContact O-N 3.41Å |
| 38 | Q | 97.4 | Very high | 97.1 | Very high | 122 Ų | 122 | 91.8 Ų | 91.8 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.4 | -39.2 | 174.8 | -72.7 | 175.2 | 21.2 | 0 | 0 | 112.9 | N34 L35 S42 | N34-Q38 WeakPolarHBondContact O-CG 3.43Å; N34-Q38 PolarHBondContact O-N 2.99Å; L35-Q38 PolarHBondContact O-N 3.36Å; Q38-S42 WeakPolarHBondContact O-CB 3.36Å; Q38-S42 PolarHBondContact O-N 2.93Å |
| 39 | E | 97.6 | Very high | 97.1 | Very high | 119 Ų | 119 | 92.4 Ų | 92.4 | 56% | 0.556 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 174.2 | -175.6 | 177 | -179.4 | 0 | 0 | 111.2 | L35 Q36 E37 S42 H43 | L35-E39 PolarHBondContact O-N 3Å; Q36-E39 PolarHBondContact O-N 2.95Å; E37-E39 PolarHBondContact O-N 3.21Å; E39-S42 PolarHBondContact O-N 3.46Å; E39-H43 WeakPolarHBondContact O-CB 3.39Å; E39-H43 PolarHBondContact O-CD2 3.37Å; E39-H43 VanDerWaalsContact O-CD2 3.27Å; E39-H43 PolarHBondContact O-N 2.76Å; E39-H43 IonicContact OE1-NE2 2.74Å |
| 40 | I | 96.9 | Very high | 97.2 | Very high | 65 Ų | 65 | 91.6 Ų | 91.6 | 33% | 0.333 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -50.6 | 177 | -71.6 | 168.2 | 0 | 0 | 0 | 111.1 | Q36 E37 S42 H43 L44 | Q36-I40 HydrophobicContact CG-CD1 3.86Å; Q36-I40 WeakPolarHBondContact O-CB 3.43Å; Q36-I40 VanDerWaalsContact O-CG1 3.25Å; Q36-I40 WeakPolarHBondContact O-CG1 3.27Å; Q36-I40 PolarHBondContact O-N 3.43Å; E37-I40 PolarHBondContact O-N 3.47Å; I40-S42 PolarHBondContact O-N 2.97Å; I40-H43 PolarHBondContact O-N 2.92Å; I40-L44 HydrophobicContact CG2-CD1 3.69Å; I40-L44 HydrophobicContact CG2-CG 4.25Å; I40-L44 WeakPolarHBondContact O-CB 3.45Å; I40-L44 VanDerWaalsContact O-CG 3.25Å; I40-L44 WeakPolarHBondContact O-CG 3.34Å; I40-L44 PolarHBondContact O-N 3.28Å |
| 41 | E | 97.3 | Very high | 97.2 | Very high | 134 Ų | 134 | 93.2 Ų | 93.2 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.1 | -45 | 178.1 | -75 | -170 | 155.5 | 0 | 0 | 111.8 | E37 L44 A45 | E37-E41 WeakPolarHBondContact O-CB 3.32Å; E37-E41 WeakPolarHBondContact O-CG 3.25Å; E37-E41 PolarHBondContact O-N 3.41Å; E41-L44 PolarHBondContact O-N 3.3Å; E41-A45 WeakPolarHBondContact O-CB 3.26Å; E41-A45 PolarHBondContact O-N 3.08Å |
| 42 | S | 97.4 | Very high | 97.2 | Very high | 76 Ų | 76 | 95.9 Ų | 95.9 | 53% | 0.531 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -47 | 176.8 | -178.7 | 0 | 0 | 0 | 0 | 112 | Q38 E39 I40 S46 | Q38-S42 WeakPolarHBondContact O-CB 3.36Å; Q38-S42 PolarHBondContact O-N 2.93Å; E39-S42 PolarHBondContact O-N 3.46Å; I40-S42 PolarHBondContact O-N 2.97Å; S42-S46 WeakPolarHBondContact O-CB 3.18Å; S42-S46 PolarHBondContact O-N 3.25Å |
| 43 | H | 96.8 | Very high | 97.2 | Very high | 102 Ų | 102 | 97.2 Ų | 97.2 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 176.5 | -76.1 | -41.1 | 0 | 0 | 0 | 112.9 | E39 I40 S46 N47 | E39-H43 WeakPolarHBondContact O-CB 3.39Å; E39-H43 PolarHBondContact O-CD2 3.37Å; E39-H43 VanDerWaalsContact O-CD2 3.27Å; E39-H43 PolarHBondContact O-N 2.76Å; E39-H43 IonicContact OE1-NE2 2.74Å; I40-H43 PolarHBondContact O-N 2.92Å; H43-S46 PolarHBondContact O-N 2.85Å; H43-N47 VanDerWaalsContact O-CB 3.28Å; H43-N47 WeakPolarHBondContact O-CB 3.37Å; H43-N47 PolarHBondContact O-N 2.93Å; H43-N47 PolarHBondContact O-ND2 3.18Å |
| 44 | L | 97.1 | Very high | 97.1 | Very high | 105 Ų | 105 | 95.6 Ų | 95.6 | 55% | 0.55 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 175.7 | -73.4 | 173.6 | 0 | 0 | 0 | 111.4 | I40 E41 S46 N47 V48 | I40-L44 HydrophobicContact CG2-CD1 3.69Å; I40-L44 HydrophobicContact CG2-CG 4.25Å; I40-L44 WeakPolarHBondContact O-CB 3.45Å; I40-L44 VanDerWaalsContact O-CG 3.25Å; I40-L44 WeakPolarHBondContact O-CG 3.34Å; I40-L44 PolarHBondContact O-N 3.28Å; E41-L44 PolarHBondContact O-N 3.3Å; L44-S46 PolarHBondContact O-N 3.06Å; L44-N47 PolarHBondContact O-N 3.24Å; L44-V48 WeakPolarHBondContact O-CB 3.34Å; L44-V48 WeakPolarHBondContact O-CG2 3.5Å; L44-V48 PolarHBondContact O-N 2.61Å |
| 45 | A | 97.3 | Very high | 97.1 | Very high | 65 Ų | 65 | 97.5 Ų | 97.5 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E41 N47 V48 H49 | E41-A45 WeakPolarHBondContact O-CB 3.26Å; E41-A45 PolarHBondContact O-N 3.08Å; A45-N47 PolarHBondContact O-N 3.33Å; A45-V48 PolarHBondContact O-N 2.91Å; A45-H49 PolarHBondContact O-N 2.94Å |
| 46 | S | 96.8 | Very high | 97.1 | Very high | 44 Ų | 44 | 98.8 Ų | 98.8 | 31% | 0.308 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.2 | -168.5 | 0 | 0 | 0 | 0 | 112 | S42 H43 L44 H49 K50 | S42-S46 WeakPolarHBondContact O-CB 3.18Å; S42-S46 PolarHBondContact O-N 3.25Å; H43-S46 PolarHBondContact O-N 2.85Å; L44-S46 PolarHBondContact O-N 3.06Å; S46-H49 PolarHBondContact O-N 3.49Å; S46-K50 WeakPolarHBondContact O-CB 3.43Å; S46-K50 WeakPolarHBondContact O-CD 3.36Å; S46-K50 VanDerWaalsContact O-CG 3.28Å; S46-K50 WeakPolarHBondContact O-CG 3.45Å; S46-K50 PolarHBondContact O-N 3.29Å; S46-K50 WeakPolarHBondContact OG-CE 3.47Å; S46-K50 PolarHBondContact OG-NZ 3.43Å |
| 47 | N | 96.7 | Very high | 97.1 | Very high | 78 Ų | 78 | 97.4 Ų | 97.4 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.1 | -36.9 | -179.5 | -71.7 | -23.9 | 0 | 0 | 0 | 112.5 | H43 L44 A45 H49 K50 N51 | H43-N47 VanDerWaalsContact O-CB 3.28Å; H43-N47 WeakPolarHBondContact O-CB 3.37Å; H43-N47 PolarHBondContact O-N 2.93Å; H43-N47 PolarHBondContact O-ND2 3.18Å; L44-N47 PolarHBondContact O-N 3.24Å; A45-N47 PolarHBondContact O-N 3.33Å; N47-H49 VanDerWaalsContact C-N 3.33Å; N47-K50 PolarHBondContact O-N 3.43Å; N47-N51 VanDerWaalsContact O-CB 3.28Å; N47-N51 WeakPolarHBondContact O-CB 3.25Å; N47-N51 VanDerWaalsContact O-CG 3.26Å; N47-N51 PolarHBondContact O-N 2.97Å; N47-N51 PolarHBondContact O-ND2 3.34Å; N47-N51 VanDerWaalsContact O-ND2 3.15Å |
| 48 | V | 97.1 | Very high | 97.1 | Very high | 86 Ų | 86 | 99.7 Ų | 99.7 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 171.4 | 169 | 0 | 0 | 0 | 0 | 110.9 | L44 A45 R52 | L44-V48 WeakPolarHBondContact O-CB 3.34Å; L44-V48 WeakPolarHBondContact O-CG2 3.5Å; L44-V48 PolarHBondContact O-N 2.61Å; A45-V48 PolarHBondContact O-N 2.91Å; V48-R52 WeakPolarHBondContact O-CB 3.41Å; V48-R52 PolarHBondContact O-N 3.34Å |
| 49 | H | 96.6 | Very high | 97 | Very high | 121 Ų | 121 | 99.8 Ų | 99.8 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.2 | -50.3 | 174.7 | -173.9 | 101.1 | 0 | 0 | 0 | 111.9 | A45 S46 N47 N51 R52 L53 | A45-H49 PolarHBondContact O-N 2.94Å; S46-H49 PolarHBondContact O-N 3.49Å; N47-H49 VanDerWaalsContact C-N 3.33Å; H49-N51 PolarHBondContact O-N 2.85Å; H49-R52 WeakPolarHBondContact O-CB 3.25Å; H49-R52 PolarHBondContact O-N 3.28Å; H49-R52 VanDerWaalsContact O-N 3.16Å; H49-L53 PolarHBondContact O-N 3.36Å |
| 50 | K | 97.7 | Very high | 97 | Very high | 112 Ų | 112 | 98 Ų | 98 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 178.6 | -72.8 | 162 | 178.2 | 159.8 | 0 | 112.1 | S46 N47 R52 L53 V54 | S46-K50 WeakPolarHBondContact O-CB 3.43Å; S46-K50 WeakPolarHBondContact O-CD 3.36Å; S46-K50 VanDerWaalsContact O-CG 3.28Å; S46-K50 WeakPolarHBondContact O-CG 3.45Å; S46-K50 PolarHBondContact O-N 3.29Å; S46-K50 WeakPolarHBondContact OG-CE 3.47Å; S46-K50 PolarHBondContact OG-NZ 3.43Å; N47-K50 PolarHBondContact O-N 3.43Å; K50-R52 VanDerWaalsContact C-N 3.33Å; K50-R52 PolarHBondContact O-N 3.45Å; K50-L53 WeakPolarHBondContact O-CB 3.32Å; K50-L53 PolarHBondContact O-N 3.12Å; K50-L53 VanDerWaalsContact O-N 3.15Å; K50-V54 WeakPolarHBondContact O-CG2 3.47Å; K50-V54 PolarHBondContact O-N 2.96Å |
| 51 | N | 97.2 | Very high | 96.9 | Very high | 98 Ų | 98 | 97.5 Ų | 97.5 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 175.9 | -74.9 | -32.4 | 0 | 0 | 0 | 112.1 | N47 H49 L53 Q55 | N47-N51 VanDerWaalsContact O-CB 3.28Å; N47-N51 WeakPolarHBondContact O-CB 3.25Å; N47-N51 VanDerWaalsContact O-CG 3.26Å; N47-N51 PolarHBondContact O-N 2.97Å; N47-N51 PolarHBondContact O-ND2 3.34Å; N47-N51 VanDerWaalsContact O-ND2 3.15Å; H49-N51 PolarHBondContact O-N 2.85Å; N51-L53 VanDerWaalsContact C-N 3.33Å; N51-Q55 WeakPolarHBondContact O-CB 3.28Å; N51-Q55 WeakPolarHBondContact O-CG 3.28Å; N51-Q55 PolarHBondContact O-N 3.19Å |
| 52 | R | 97.2 | Very high | 97 | Very high | 158 Ų | 158 | 96 Ų | 96 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.9 | -32.7 | 174.3 | 179.6 | 179 | -72.3 | 165.5 | -2 | 112.6 | V48 H49 K50 K56 | V48-R52 WeakPolarHBondContact O-CB 3.41Å; V48-R52 PolarHBondContact O-N 3.34Å; H49-R52 WeakPolarHBondContact O-CB 3.25Å; H49-R52 PolarHBondContact O-N 3.28Å; H49-R52 VanDerWaalsContact O-N 3.16Å; K50-R52 VanDerWaalsContact C-N 3.33Å; K50-R52 PolarHBondContact O-N 3.45Å; R52-K56 WeakPolarHBondContact O-CG 3.28Å; R52-K56 PolarHBondContact O-N 2.83Å |
| 53 | L | 97 | Very high | 96.9 | Very high | 79 Ų | 79 | 98.4 Ų | 98.4 | 41% | 0.414 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.5 | -55 | 174.5 | -175.5 | 57.6 | 0 | 0 | 0 | 110.2 | H49 K50 N51 Q55 K56 D57 | H49-L53 PolarHBondContact O-N 3.36Å; K50-L53 WeakPolarHBondContact O-CB 3.32Å; K50-L53 PolarHBondContact O-N 3.12Å; K50-L53 VanDerWaalsContact O-N 3.15Å; N51-L53 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 3.27Å; L53-Q55 VanDerWaalsContact O-N 3.12Å; L53-K56 WeakPolarHBondContact O-CA 3.48Å; L53-K56 WeakPolarHBondContact O-CB 3.32Å; L53-K56 PolarHBondContact O-N 3.31Å; L53-D57 WeakPolarHBondContact CG-OD2 3.34Å; L53-D57 PolarHBondContact O-N 3.02Å |
| 54 | V | 97.4 | Very high | 96.9 | Very high | 87 Ų | 87 | 97.7 Ų | 97.7 | 53% | 0.527 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -54.2 | -36.8 | 175.9 | 173.8 | 0 | 0 | 0 | 0 | 112.4 | K50 K56 D57 L58 | K50-V54 WeakPolarHBondContact O-CG2 3.47Å; K50-V54 PolarHBondContact O-N 2.96Å; V54-K56 PolarHBondContact O-N 2.97Å; V54-D57 PolarHBondContact O-N 2.81Å; V54-L58 WeakPolarHBondContact O-CB 3.33Å; V54-L58 PolarHBondContact O-N 2.84Å |
| 55 | Q | 96.3 | Very high | 96.8 | Very high | 122 Ų | 122 | 98.8 Ų | 98.8 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66 | -31.5 | 174.1 | -78.8 | 172.9 | 6.2 | 0 | 0 | 114.3 | N51 L53 Q59 | N51-Q55 WeakPolarHBondContact O-CB 3.28Å; N51-Q55 WeakPolarHBondContact O-CG 3.28Å; N51-Q55 PolarHBondContact O-N 3.19Å; L53-Q55 PolarHBondContact O-N 3.27Å; L53-Q55 VanDerWaalsContact O-N 3.12Å; Q55-Q59 VanDerWaalsContact O-CG 3.29Å; Q55-Q59 WeakPolarHBondContact O-CG 3.33Å; Q55-Q59 PolarHBondContact O-NE2 3.44Å |
| 56 | K | 97.3 | Very high | 96.7 | Very high | 123 Ų | 123 | 100.2 Ų | 100.2 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.3 | -47.1 | 172.1 | -69.6 | 172.1 | 175.4 | -173.8 | 0 | 110.3 | R52 L53 V54 L58 Q59 V60 | R52-K56 WeakPolarHBondContact O-CG 3.28Å; R52-K56 PolarHBondContact O-N 2.83Å; L53-K56 WeakPolarHBondContact O-CA 3.48Å; L53-K56 WeakPolarHBondContact O-CB 3.32Å; L53-K56 PolarHBondContact O-N 3.31Å; V54-K56 PolarHBondContact O-N 2.97Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 3.34Å; K56-Q59 CarbonylContact O-C 3.58Å; K56-Q59 WeakPolarHBondContact O-CA 3.5Å; K56-Q59 WeakPolarHBondContact O-CB 3.42Å; K56-Q59 PolarHBondContact O-N 3.5Å; K56-V60 WeakPolarHBondContact O-CG2 3.47Å; K56-V60 PolarHBondContact O-N 3.45Å |
| 57 | D | 97.4 | Very high | 96.6 | Very high | 81 Ų | 81 | 103.3 Ų | 103.3 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | -175.7 | -53.7 | -20.9 | 0 | 0 | 0 | 110.4 | L53 V54 Q59 V60 A61 | L53-D57 WeakPolarHBondContact CG-OD2 3.34Å; L53-D57 PolarHBondContact O-N 3.02Å; V54-D57 PolarHBondContact O-N 2.81Å; D57-Q59 VanDerWaalsContact C-N 3.33Å; D57-Q59 PolarHBondContact O-N 2.67Å; D57-V60 PolarHBondContact O-N 3.08Å; D57-A61 VanDerWaalsContact O-CB 3.28Å; D57-A61 WeakPolarHBondContact O-CB 3.5Å; D57-A61 PolarHBondContact O-N 2.84Å |
| 58 | L | 96.5 | Very high | 96.4 | Very high | 116 Ų | 116 | 106 Ų | 106 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -34.3 | 172.1 | -173.6 | 149.7 | 0 | 0 | 0 | 112.9 | V54 K56 K62 | V54-L58 WeakPolarHBondContact O-CB 3.33Å; V54-L58 PolarHBondContact O-N 2.84Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 3.34Å; L58-K62 WeakPolarHBondContact O-CB 3.21Å; L58-K62 PolarHBondContact O-N 2.88Å |
| 59 | Q | 95.4 | Very high | 96.3 | Very high | 124 Ų | 124 | 105.9 Ų | 105.9 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.7 | -35.8 | 173.6 | -72.2 | 169.4 | 45.2 | 0 | 0 | 112.4 | Q55 K56 D57 K63 | Q55-Q59 VanDerWaalsContact O-CG 3.29Å; Q55-Q59 WeakPolarHBondContact O-CG 3.33Å; Q55-Q59 PolarHBondContact O-NE2 3.44Å; K56-Q59 CarbonylContact O-C 3.58Å; K56-Q59 WeakPolarHBondContact O-CA 3.5Å; K56-Q59 WeakPolarHBondContact O-CB 3.42Å; K56-Q59 PolarHBondContact O-N 3.5Å; D57-Q59 VanDerWaalsContact C-N 3.33Å; D57-Q59 PolarHBondContact O-N 2.67Å; Q59-K63 WeakPolarHBondContact O-CG 3.18Å; Q59-K63 PolarHBondContact O-N 2.93Å |
| 60 | V | 97.2 | Very high | 96.2 | Very high | 81 Ų | 81 | 106.1 Ų | 106.1 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.6 | -50.7 | 176.1 | 177 | 0 | 0 | 0 | 0 | 110.2 | K56 D57 K62 K63 L64 | K56-V60 WeakPolarHBondContact O-CG2 3.47Å; K56-V60 PolarHBondContact O-N 3.45Å; D57-V60 PolarHBondContact O-N 3.08Å; V60-K62 VanDerWaalsContact C-N 3.28Å; V60-K62 PolarHBondContact O-N 3.18Å; V60-K63 WeakPolarHBondContact O-CB 3.43Å; V60-K63 PolarHBondContact O-N 3.32Å; V60-L64 HydrophobicContact CG1-CD1 3.97Å; V60-L64 HydrophobicContact CG1-CG 4.39Å; V60-L64 WeakPolarHBondContact O-CG 3.46Å; V60-L64 PolarHBondContact O-N 3.44Å |
| 61 | A | 96.3 | Very high | 96 | Very high | 56 Ų | 56 | 105.4 Ų | 105.4 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.2 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | D57 K63 L64 Q65 | D57-A61 VanDerWaalsContact O-CB 3.28Å; D57-A61 WeakPolarHBondContact O-CB 3.5Å; D57-A61 PolarHBondContact O-N 2.84Å; A61-K63 PolarHBondContact O-N 3.16Å; A61-L64 PolarHBondContact O-N 3.38Å; A61-Q65 WeakPolarHBondContact O-CB 3.39Å; A61-Q65 PolarHBondContact O-N 2.91Å |
| 62 | K | 97.6 | Very high | 95.8 | Very high | 103 Ų | 103 | 103.2 Ų | 103.2 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 175.7 | -176 | 173.8 | 178.1 | -66.4 | 0 | 112.9 | L58 V60 E66 | L58-K62 WeakPolarHBondContact O-CB 3.21Å; L58-K62 PolarHBondContact O-N 2.88Å; V60-K62 VanDerWaalsContact C-N 3.28Å; V60-K62 PolarHBondContact O-N 3.18Å; K62-E66 IonicContact NZ-OE1 3.64Å; K62-E66 PolarHBondContact NZ-OE1 3.44Å; K62-E66 IonicContact NZ-OE2 3.79Å; K62-E66 PolarHBondContact NZ-OE2 2.95Å; K62-E66 WeakPolarHBondContact O-CB 3.44Å; K62-E66 VanDerWaalsContact O-CG 3.29Å; K62-E66 WeakPolarHBondContact O-CG 3.24Å; K62-E66 PolarHBondContact O-N 3.27Å |
| 63 | K | 96.9 | Very high | 95.7 | Very high | 125 Ų | 125 | 100.4 Ų | 100.4 | 54% | 0.543 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.3 | -47.5 | 175.5 | -74.5 | 175.6 | 177.9 | -173.2 | 0 | 112.1 | Q59 V60 A61 Q65 E66 E67 | Q59-K63 WeakPolarHBondContact O-CG 3.18Å; Q59-K63 PolarHBondContact O-N 2.93Å; V60-K63 WeakPolarHBondContact O-CB 3.43Å; V60-K63 PolarHBondContact O-N 3.32Å; A61-K63 PolarHBondContact O-N 3.16Å; K63-Q65 VanDerWaalsContact C-N 3.27Å; K63-Q65 PolarHBondContact O-N 3.34Å; K63-E66 CarbonylContact O-C 3.59Å; K63-E66 PolarHBondContact O-N 2.95Å; K63-E67 WeakPolarHBondContact O-CB 3.38Å; K63-E67 WeakPolarHBondContact O-CG 3.33Å; K63-E67 PolarHBondContact O-N 2.88Å |
| 64 | L | 95.4 | Very high | 95.6 | Very high | 88 Ų | 88 | 100.8 Ų | 100.8 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 176.6 | -67.9 | 172.4 | 0 | 0 | 0 | 110.7 | V60 A61 E67 E68 | V60-L64 HydrophobicContact CG1-CD1 3.97Å; V60-L64 HydrophobicContact CG1-CG 4.39Å; V60-L64 WeakPolarHBondContact O-CG 3.46Å; V60-L64 PolarHBondContact O-N 3.44Å; A61-L64 PolarHBondContact O-N 3.38Å; L64-E67 PolarHBondContact O-N 3.15Å; L64-E68 WeakPolarHBondContact O-CB 3.47Å; L64-E68 WeakPolarHBondContact O-CG 3.22Å; L64-E68 PolarHBondContact O-N 2.91Å |
| 65 | Q | 95.2 | Very high | 95.5 | Very high | 127 Ų | 127 | 102 Ų | 102 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.3 | -47.8 | 172.4 | -173.6 | 176.7 | 11.6 | 0 | 0 | 111.3 | A61 K63 E67 E68 D69 | A61-Q65 WeakPolarHBondContact O-CB 3.39Å; A61-Q65 PolarHBondContact O-N 2.91Å; K63-Q65 VanDerWaalsContact C-N 3.27Å; K63-Q65 PolarHBondContact O-N 3.34Å; Q65-E67 VanDerWaalsContact C-N 3.34Å; Q65-E67 PolarHBondContact O-N 2.87Å; Q65-E68 PolarHBondContact O-N 3.49Å; Q65-D69 VanDerWaalsContact O-CB 3.24Å; Q65-D69 WeakPolarHBondContact O-CB 3.41Å; Q65-D69 PolarHBondContact O-N 3.47Å |
| 66 | E | 94.9 | Very high | 95.4 | Very high | 96 Ų | 96 | 99.9 Ų | 99.9 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 178.2 | -75.3 | 173 | 147 | 0 | 0 | 112.9 | K62 K63 E70 | K62-E66 IonicContact NZ-OE1 3.64Å; K62-E66 PolarHBondContact NZ-OE1 3.44Å; K62-E66 IonicContact NZ-OE2 3.79Å; K62-E66 PolarHBondContact NZ-OE2 2.95Å; K62-E66 WeakPolarHBondContact O-CB 3.44Å; K62-E66 VanDerWaalsContact O-CG 3.29Å; K62-E66 WeakPolarHBondContact O-CG 3.24Å; K62-E66 PolarHBondContact O-N 3.27Å; K63-E66 CarbonylContact O-C 3.59Å; K63-E66 PolarHBondContact O-N 2.95Å; E66-E70 WeakPolarHBondContact O-CG 3.44Å; E66-E70 PolarHBondContact O-N 3.14Å |
| 67 | E | 94.5 | Very high | 95.2 | Very high | 109 Ų | 109 | 100.3 Ų | 100.3 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -45.4 | 176.2 | -71.3 | 164.6 | -156.5 | 0 | 0 | 112.1 | K63 L64 Q65 E70 I71 | K63-E67 WeakPolarHBondContact O-CB 3.38Å; K63-E67 WeakPolarHBondContact O-CG 3.33Å; K63-E67 PolarHBondContact O-N 2.88Å; L64-E67 PolarHBondContact O-N 3.15Å; Q65-E67 VanDerWaalsContact C-N 3.34Å; Q65-E67 PolarHBondContact O-N 2.87Å; E67-E70 PolarHBondContact O-N 3.48Å; E67-I71 WeakPolarHBondContact O-CG1 3.43Å; E67-I71 PolarHBondContact O-N 3.4Å |
| 68 | E | 92.5 | Very high | 95.1 | Very high | 135 Ų | 135 | 102.7 Ų | 102.7 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.6 | -42.9 | 173.3 | -74 | 175.4 | 177.2 | 0 | 0 | 111.6 | L64 Q65 E70 I71 A72 | L64-E68 WeakPolarHBondContact O-CB 3.47Å; L64-E68 WeakPolarHBondContact O-CG 3.22Å; L64-E68 PolarHBondContact O-N 2.91Å; Q65-E68 PolarHBondContact O-N 3.49Å; E68-E70 VanDerWaalsContact C-N 3.29Å; E68-E70 PolarHBondContact O-N 2.86Å; E68-I71 PolarHBondContact O-N 2.93Å; E68-A72 WeakPolarHBondContact O-CB 3.43Å; E68-A72 PolarHBondContact O-N 3.43Å |
| 69 | D | 94.9 | Very high | 95 | Very high | 82 Ų | 82 | 102.6 Ų | 102.6 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -34.2 | 177.4 | -132.1 | 43.2 | 0 | 0 | 0 | 111.7 | Q65 K73 | Q65-D69 VanDerWaalsContact O-CB 3.24Å; Q65-D69 WeakPolarHBondContact O-CB 3.41Å; Q65-D69 PolarHBondContact O-N 3.47Å; D69-K73 VanDerWaalsContact CB-NZ 3.31Å; D69-K73 VanDerWaalsContact CG-NZ 3.33Å; D69-K73 WeakPolarHBondContact O-CD 3.41Å; D69-K73 WeakPolarHBondContact O-CE 3.48Å; D69-K73 WeakPolarHBondContact O-CG 3.17Å; D69-K73 PolarHBondContact O-N 2.99Å; D69-K73 VanDerWaalsContact O-N 3.14Å; D69-K73 PolarHBondContact O-NZ 2.86Å; D69-K73 WeakPolarHBondContact OD2-CE 3.35Å; D69-K73 IonicContact OD2-NZ 2.81Å; D69-K73 PolarHBondContact OD2-NZ 2.87Å |
| 70 | E | 94.8 | Very high | 94.9 | Very high | 127 Ų | 127 | 99.7 Ų | 99.7 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -73 | -42 | 173.4 | -77.6 | -168.9 | 177.5 | 0 | 0 | 112.5 | E66 E67 E68 A72 K73 I74 | E66-E70 WeakPolarHBondContact O-CG 3.44Å; E66-E70 PolarHBondContact O-N 3.14Å; E67-E70 PolarHBondContact O-N 3.48Å; E68-E70 VanDerWaalsContact C-N 3.29Å; E68-E70 PolarHBondContact O-N 2.86Å; E70-A72 VanDerWaalsContact C-N 3.34Å; E70-A72 PolarHBondContact O-N 2.94Å; E70-K73 PolarHBondContact O-N 3.44Å; E70-I74 WeakPolarHBondContact O-CG1 3.41Å; E70-I74 PolarHBondContact O-N 3.43Å |
| 71 | I | 93.9 | Very high | 94.8 | Very high | 96 Ų | 96 | 97.6 Ų | 97.6 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 174.3 | -67.4 | 165.4 | 0 | 0 | 0 | 110.4 | E67 E68 K73 I74 Q75 | E67-I71 WeakPolarHBondContact O-CG1 3.43Å; E67-I71 PolarHBondContact O-N 3.4Å; E68-I71 PolarHBondContact O-N 2.93Å; I71-K73 PolarHBondContact O-N 3.03Å; I71-I74 PolarHBondContact O-N 3.46Å; I71-Q75 WeakPolarHBondContact O-CG 3.29Å; I71-Q75 PolarHBondContact O-N 3.15Å |
| 72 | A | 93.4 | Very high | 94.7 | Very high | 53 Ų | 53 | 98.7 Ų | 98.7 | 44% | 0.438 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E68 E70 I74 Q75 N76 | E68-A72 WeakPolarHBondContact O-CB 3.43Å; E68-A72 PolarHBondContact O-N 3.43Å; E70-A72 VanDerWaalsContact C-N 3.34Å; E70-A72 PolarHBondContact O-N 2.94Å; A72-I74 PolarHBondContact O-N 2.91Å; A72-Q75 PolarHBondContact O-N 3.16Å; A72-N76 WeakPolarHBondContact O-CB 3.47Å; A72-N76 PolarHBondContact O-N 3.04Å |
| 73 | K | 95.7 | Very high | 94.5 | Very high | 98 Ų | 98 | 97.7 Ų | 97.7 | 43% | 0.426 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 173.9 | -72.2 | 156.4 | -156.6 | 144.2 | 0 | 111.9 | D69 E70 I71 Q77 | D69-K73 VanDerWaalsContact CB-NZ 3.31Å; D69-K73 VanDerWaalsContact CG-NZ 3.33Å; D69-K73 WeakPolarHBondContact O-CD 3.41Å; D69-K73 WeakPolarHBondContact O-CE 3.48Å; D69-K73 WeakPolarHBondContact O-CG 3.17Å; D69-K73 PolarHBondContact O-N 2.99Å; D69-K73 VanDerWaalsContact O-N 3.14Å; D69-K73 PolarHBondContact O-NZ 2.86Å; D69-K73 WeakPolarHBondContact OD2-CE 3.35Å; D69-K73 IonicContact OD2-NZ 2.81Å; D69-K73 PolarHBondContact OD2-NZ 2.87Å; E70-K73 PolarHBondContact O-N 3.44Å; I71-K73 PolarHBondContact O-N 3.03Å; K73-Q77 WeakPolarHBondContact O-CB 3.28Å; K73-Q77 VanDerWaalsContact O-CG 3.23Å; K73-Q77 WeakPolarHBondContact O-CG 3.39Å; K73-Q77 PolarHBondContact O-N 2.98Å |
| 74 | I | 94.8 | Very high | 94.4 | Very high | 88 Ų | 88 | 98 Ų | 98 | 45% | 0.451 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 177.8 | -68.4 | 163.8 | 0 | 0 | 0 | 111.1 | E70 I71 A72 K78 | E70-I74 WeakPolarHBondContact O-CG1 3.41Å; E70-I74 PolarHBondContact O-N 3.43Å; I71-I74 PolarHBondContact O-N 3.46Å; A72-I74 PolarHBondContact O-N 2.91Å; I74-K78 WeakPolarHBondContact O-CG 3.23Å; I74-K78 PolarHBondContact O-N 3.49Å; I74-K78 VanDerWaalsContact O-N 3.15Å |
| 75 | Q | 93.8 | Very high | 94.4 | Very high | 113 Ų | 113 | 101.7 Ų | 101.7 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 175.6 | -70.2 | -179 | 15.7 | 0 | 0 | 111.6 | I71 A72 Q77 K78 Q79 | I71-Q75 WeakPolarHBondContact O-CG 3.29Å; I71-Q75 PolarHBondContact O-N 3.15Å; A72-Q75 PolarHBondContact O-N 3.16Å; Q75-Q77 VanDerWaalsContact C-N 3.34Å; Q75-Q77 PolarHBondContact O-N 2.97Å; Q75-K78 WeakPolarHBondContact O-CB 3.23Å; Q75-K78 PolarHBondContact O-N 3.32Å; Q75-K78 VanDerWaalsContact O-N 3.17Å; Q75-Q79 PolarHBondContact O-N 2.95Å |
| 76 | N | 94.4 | Very high | 94.4 | Very high | 77 Ų | 77 | 101.1 Ų | 101.1 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 177.3 | -177 | -110.1 | 0 | 0 | 0 | 112.5 | A72 K78 Q79 N80 | A72-N76 WeakPolarHBondContact O-CB 3.47Å; A72-N76 PolarHBondContact O-N 3.04Å; N76-K78 VanDerWaalsContact C-N 3.32Å; N76-K78 PolarHBondContact O-N 3.35Å; N76-Q79 PolarHBondContact O-N 2.67Å; N76-N80 PolarHBondContact ND2-OD1 2.83Å; N76-N80 WeakPolarHBondContact O-CB 3.49Å; N76-N80 PolarHBondContact O-N 2.93Å; N76-N80 PolarHBondContact O-ND2 2.91Å; N76-N80 PolarHBondContact O-OD1 3.5Å; N76-N80 PolarHBondContact OD1-ND2 2.74Å |
| 77 | Q | 94.8 | Very high | 94.5 | Very high | 132 Ų | 132 | 101.1 Ų | 101.1 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63 | -35.8 | 172.6 | -78.6 | 173.5 | 18.6 | 0 | 0 | 112.9 | K73 Q75 S81 | K73-Q77 WeakPolarHBondContact O-CB 3.28Å; K73-Q77 VanDerWaalsContact O-CG 3.23Å; K73-Q77 WeakPolarHBondContact O-CG 3.39Å; K73-Q77 PolarHBondContact O-N 2.98Å; Q75-Q77 VanDerWaalsContact C-N 3.34Å; Q75-Q77 PolarHBondContact O-N 2.97Å; Q77-S81 WeakPolarHBondContact O-CB 3.43Å; Q77-S81 PolarHBondContact O-N 2.93Å |
| 78 | K | 94.8 | Very high | 94.6 | Very high | 131 Ų | 131 | 99.8 Ų | 99.8 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.7 | -50.8 | 172.7 | -70.3 | 172.5 | -179.3 | -178 | 0 | 111 | I74 Q75 N76 N80 S81 D82 | I74-K78 WeakPolarHBondContact O-CG 3.23Å; I74-K78 PolarHBondContact O-N 3.49Å; I74-K78 VanDerWaalsContact O-N 3.15Å; Q75-K78 WeakPolarHBondContact O-CB 3.23Å; Q75-K78 PolarHBondContact O-N 3.32Å; Q75-K78 VanDerWaalsContact O-N 3.17Å; N76-K78 VanDerWaalsContact C-N 3.32Å; N76-K78 PolarHBondContact O-N 3.35Å; K78-N80 VanDerWaalsContact C-N 3.29Å; K78-N80 PolarHBondContact O-N 2.8Å; K78-S81 WeakPolarHBondContact O-CA 3.25Å; K78-S81 VanDerWaalsContact O-CB 3.23Å; K78-S81 WeakPolarHBondContact O-CB 3.34Å; K78-S81 PolarHBondContact O-N 3.28Å; K78-D82 PolarHBondContact O-N 3.12Å |
| 79 | Q | 93.9 | Very high | 94.8 | Very high | 114 Ų | 114 | 100 Ų | 100 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.2 | -44.4 | 176.5 | -70.6 | 172.1 | -29.5 | 0 | 0 | 111.9 | Q75 N76 D82 I83 | Q75-Q79 PolarHBondContact O-N 2.95Å; N76-Q79 PolarHBondContact O-N 2.67Å; Q79-D82 PolarHBondContact O-N 3.34Å; Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.45Å; Q79-I83 PolarHBondContact O-N 3.04Å |
| 80 | N | 93.9 | Very high | 94.8 | Very high | 63 Ų | 63 | 100.2 Ų | 100.2 | 34% | 0.337 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 176.1 | -60.7 | -13.6 | 0 | 0 | 0 | 111.7 | N76 K78 D82 I83 E84 | N76-N80 PolarHBondContact ND2-OD1 2.83Å; N76-N80 WeakPolarHBondContact O-CB 3.49Å; N76-N80 PolarHBondContact O-N 2.93Å; N76-N80 PolarHBondContact O-ND2 2.91Å; N76-N80 PolarHBondContact O-OD1 3.5Å; N76-N80 PolarHBondContact OD1-ND2 2.74Å; K78-N80 VanDerWaalsContact C-N 3.29Å; K78-N80 PolarHBondContact O-N 2.8Å; N80-D82 PolarHBondContact O-N 3.32Å; N80-I83 PolarHBondContact O-N 3.46Å; N80-E84 VanDerWaalsContact O-CB 3.27Å; N80-E84 WeakPolarHBondContact O-CB 3.43Å; N80-E84 VanDerWaalsContact O-CG 3.23Å; N80-E84 WeakPolarHBondContact O-CG 3.45Å; N80-E84 PolarHBondContact O-N 3.44Å |
| 81 | S | 94.9 | Very high | 94.9 | Very high | 36 Ų | 36 | 97 Ų | 97 | 25% | 0.252 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -55.2 | -40.8 | 170.2 | 140.4 | 0 | 0 | 0 | 0 | 112 | Q77 K78 R85 | Q77-S81 WeakPolarHBondContact O-CB 3.43Å; Q77-S81 PolarHBondContact O-N 2.93Å; K78-S81 WeakPolarHBondContact O-CA 3.25Å; K78-S81 VanDerWaalsContact O-CB 3.23Å; K78-S81 WeakPolarHBondContact O-CB 3.34Å; K78-S81 PolarHBondContact O-N 3.28Å; S81-R85 WeakPolarHBondContact O-CD 3.14Å; S81-R85 VanDerWaalsContact O-CG 3.24Å; S81-R85 WeakPolarHBondContact O-CG 3.42Å; S81-R85 PolarHBondContact O-N 2.97Å; S81-R85 VanDerWaalsContact O-N 3.14Å; S81-R85 PolarHBondContact O-NE 3.3Å; S81-R85 PolarHBondContact OG-NE 2.83Å; S81-R85 PolarHBondContact OG-NH2 3Å |
| 82 | D | 94.1 | Very high | 95 | Very high | 79 Ų | 79 | 98.1 Ų | 98.1 | 42% | 0.422 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -82.7 | -31.8 | -170.8 | -57.4 | -17.4 | 0 | 0 | 0 | 110.8 | K78 Q79 N80 R85 Q86 | K78-D82 PolarHBondContact O-N 3.12Å; Q79-D82 PolarHBondContact O-N 3.34Å; N80-D82 PolarHBondContact O-N 3.32Å; D82-R85 IonicContact OD1-NE 2.76Å; D82-Q86 WeakPolarHBondContact O-CG 3.46Å; D82-Q86 PolarHBondContact O-N 2.63Å |
| 83 | I | 93.8 | Very high | 95.1 | Very high | 83 Ų | 83 | 101.1 Ų | 101.1 | 43% | 0.426 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -47.4 | 165.6 | -65.8 | 162.6 | 0 | 0 | 0 | 110.8 | Q79 N80 R85 Q86 D87 | Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.45Å; Q79-I83 PolarHBondContact O-N 3.04Å; N80-I83 PolarHBondContact O-N 3.46Å; I83-R85 PolarHBondContact O-N 3.09Å; I83-R85 VanDerWaalsContact O-N 3.16Å; I83-Q86 PolarHBondContact O-N 2.65Å; I83-D87 PolarHBondContact O-N 2.8Å |
| 84 | E | 94.2 | Very high | 95.2 | Very high | 131 Ų | 131 | 100.8 Ų | 100.8 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.7 | -31.3 | 177.9 | -79.6 | 173.2 | -162.5 | 0 | 0 | 112.3 | N80 V88 | N80-E84 VanDerWaalsContact O-CB 3.27Å; N80-E84 WeakPolarHBondContact O-CB 3.43Å; N80-E84 VanDerWaalsContact O-CG 3.23Å; N80-E84 WeakPolarHBondContact O-CG 3.45Å; N80-E84 PolarHBondContact O-N 3.44Å; E84-V88 WeakPolarHBondContact O-CB 3.44Å; E84-V88 WeakPolarHBondContact O-CG2 3.43Å; E84-V88 PolarHBondContact O-N 3.2Å |
| 85 | R | 95.3 | Very high | 95.1 | Very high | 165 Ų | 165 | 102.1 Ų | 102.1 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.4 | -47 | 171.8 | -68.5 | 161.7 | -159.5 | -115.6 | 5.3 | 112.2 | S81 D82 I83 V88 E89 | S81-R85 WeakPolarHBondContact O-CD 3.14Å; S81-R85 VanDerWaalsContact O-CG 3.24Å; S81-R85 WeakPolarHBondContact O-CG 3.42Å; S81-R85 PolarHBondContact O-N 2.97Å; S81-R85 VanDerWaalsContact O-N 3.14Å; S81-R85 PolarHBondContact O-NE 3.3Å; S81-R85 PolarHBondContact OG-NE 2.83Å; S81-R85 PolarHBondContact OG-NH2 3Å; D82-R85 IonicContact OD1-NE 2.76Å; I83-R85 PolarHBondContact O-N 3.09Å; I83-R85 VanDerWaalsContact O-N 3.16Å; R85-V88 PolarHBondContact O-N 3.4Å; R85-E89 PolarHBondContact O-N 3.07Å |
| 86 | Q | 95.6 | Very high | 95.3 | Very high | 116 Ų | 116 | 102.1 Ų | 102.1 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 179.2 | -71.1 | 173.7 | -4.1 | 0 | 0 | 111.2 | D82 I83 V88 E89 I90 | D82-Q86 WeakPolarHBondContact O-CG 3.46Å; D82-Q86 PolarHBondContact O-N 2.63Å; I83-Q86 PolarHBondContact O-N 2.65Å; Q86-V88 VanDerWaalsContact C-N 3.27Å; Q86-V88 PolarHBondContact O-N 2.64Å; Q86-E89 PolarHBondContact O-N 3.45Å; Q86-I90 WeakPolarHBondContact O-CB 3.37Å; Q86-I90 WeakPolarHBondContact O-CD1 3.46Å; Q86-I90 VanDerWaalsContact O-CG1 3.25Å; Q86-I90 WeakPolarHBondContact O-CG1 3.44Å; Q86-I90 PolarHBondContact O-N 2.97Å |
| 87 | D | 96.3 | Very high | 95.3 | Very high | 96 Ų | 96 | 102.8 Ų | 102.8 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | 174.4 | -74.9 | -14.7 | 0 | 0 | 0 | 111.7 | I83 A91 | I83-D87 PolarHBondContact O-N 2.8Å; D87-A91 WeakPolarHBondContact O-CB 3.48Å; D87-A91 PolarHBondContact O-N 3.48Å |
| 88 | V | 96.8 | Very high | 95.3 | Very high | 81 Ų | 81 | 101 Ų | 101 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.6 | -36.4 | 176 | 164.7 | 0 | 0 | 0 | 0 | 112.5 | E84 R85 Q86 Q92 | E84-V88 WeakPolarHBondContact O-CB 3.44Å; E84-V88 WeakPolarHBondContact O-CG2 3.43Å; E84-V88 PolarHBondContact O-N 3.2Å; R85-V88 PolarHBondContact O-N 3.4Å; Q86-V88 VanDerWaalsContact C-N 3.27Å; Q86-V88 PolarHBondContact O-N 2.64Å; V88-Q92 VanDerWaalsContact O-CG 3.31Å; V88-Q92 WeakPolarHBondContact O-CG 3.41Å; V88-Q92 PolarHBondContact O-N 3.15Å; V88-Q92 VanDerWaalsContact O-N 3.09Å; V88-Q92 PolarHBondContact O-NE2 2.89Å |
| 89 | E | 96.3 | Very high | 95.4 | Very high | 138 Ų | 138 | 98.1 Ų | 98.1 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67 | -48.9 | 174.8 | -173.9 | 169.7 | -166.3 | 0 | 0 | 110.9 | R85 Q86 A91 Q92 E93 | R85-E89 PolarHBondContact O-N 3.07Å; Q86-E89 PolarHBondContact O-N 3.45Å; E89-A91 VanDerWaalsContact C-N 3.34Å; E89-A91 PolarHBondContact O-N 3.32Å; E89-Q92 WeakPolarHBondContact O-CB 3.36Å; E89-Q92 PolarHBondContact O-N 3.35Å; E89-Q92 VanDerWaalsContact O-N 3.12Å; E89-E93 PolarHBondContact O-N 3.33Å |
| 90 | I | 96.8 | Very high | 95.5 | Very high | 87 Ų | 87 | 97.7 Ų | 97.7 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 175.6 | -67.1 | 164 | 0 | 0 | 0 | 111.1 | Q86 Q92 E93 I94 | Q86-I90 WeakPolarHBondContact O-CB 3.37Å; Q86-I90 WeakPolarHBondContact O-CD1 3.46Å; Q86-I90 VanDerWaalsContact O-CG1 3.25Å; Q86-I90 WeakPolarHBondContact O-CG1 3.44Å; Q86-I90 PolarHBondContact O-N 2.97Å; I90-Q92 VanDerWaalsContact C-N 3.3Å; I90-Q92 PolarHBondContact O-N 3.29Å; I90-E93 PolarHBondContact O-N 3.28Å; I90-I94 HydrophobicContact CG2-CD1 3.74Å; I90-I94 HydrophobicContact CG2-CG1 4.43Å; I90-I94 WeakPolarHBondContact O-CB 3.18Å; I90-I94 VanDerWaalsContact O-CG1 3.3Å; I90-I94 WeakPolarHBondContact O-CG1 3.36Å; I90-I94 PolarHBondContact O-N 3.43Å |
| 91 | A | 96.3 | Very high | 95.5 | Very high | 59 Ų | 59 | 99.3 Ų | 99.3 | 49% | 0.488 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.8 | -33.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D87 E89 Q95 | D87-A91 WeakPolarHBondContact O-CB 3.48Å; D87-A91 PolarHBondContact O-N 3.48Å; E89-A91 VanDerWaalsContact C-N 3.34Å; E89-A91 PolarHBondContact O-N 3.32Å; A91-Q95 WeakPolarHBondContact O-CB 3.47Å; A91-Q95 PolarHBondContact O-N 3.32Å; A91-Q95 VanDerWaalsContact O-N 3.08Å |
| 92 | Q | 95.6 | Very high | 95.5 | Very high | 121 Ų | 121 | 99.8 Ų | 99.8 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71 | -44.2 | 173.3 | -75.5 | 172.3 | 50.2 | 0 | 0 | 111.6 | V88 E89 I90 I94 Q95 E96 | V88-Q92 VanDerWaalsContact O-CG 3.31Å; V88-Q92 WeakPolarHBondContact O-CG 3.41Å; V88-Q92 PolarHBondContact O-N 3.15Å; V88-Q92 VanDerWaalsContact O-N 3.09Å; V88-Q92 PolarHBondContact O-NE2 2.89Å; E89-Q92 WeakPolarHBondContact O-CB 3.36Å; E89-Q92 PolarHBondContact O-N 3.35Å; E89-Q92 VanDerWaalsContact O-N 3.12Å; I90-Q92 VanDerWaalsContact C-N 3.3Å; I90-Q92 PolarHBondContact O-N 3.29Å; Q92-I94 PolarHBondContact O-N 3.36Å; Q92-Q95 PolarHBondContact O-N 3.49Å; Q92-E96 PolarHBondContact O-N 3.46Å |
| 93 | E | 96.6 | Very high | 95.5 | Very high | 115 Ų | 115 | 101 Ų | 101 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 176.4 | -176.8 | 171.9 | -144.9 | 0 | 0 | 111.7 | E89 I90 Q95 E96 E97 | E89-E93 PolarHBondContact O-N 3.33Å; I90-E93 PolarHBondContact O-N 3.28Å; E93-Q95 VanDerWaalsContact C-N 3.31Å; E93-Q95 PolarHBondContact O-N 3.13Å; E93-E96 PolarHBondContact O-N 2.88Å; E93-E97 VanDerWaalsContact O-CG 3.32Å; E93-E97 WeakPolarHBondContact O-CG 3.32Å; E93-E97 PolarHBondContact O-N 3.14Å |
| 94 | I | 96.5 | Very high | 95.6 | Very high | 92 Ų | 92 | 102.5 Ų | 102.5 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 176.3 | -66.9 | 168.2 | 0 | 0 | 0 | 111.1 | I90 Q92 E97 L98 | I90-I94 HydrophobicContact CG2-CD1 3.74Å; I90-I94 HydrophobicContact CG2-CG1 4.43Å; I90-I94 WeakPolarHBondContact O-CB 3.18Å; I90-I94 VanDerWaalsContact O-CG1 3.3Å; I90-I94 WeakPolarHBondContact O-CG1 3.36Å; I90-I94 PolarHBondContact O-N 3.43Å; Q92-I94 PolarHBondContact O-N 3.36Å; I94-E97 PolarHBondContact O-N 3.07Å; I94-L98 HydrophobicContact CG2-CD1 4.21Å; I94-L98 WeakPolarHBondContact O-CG 3.44Å; I94-L98 PolarHBondContact O-N 3.3Å |
| 95 | Q | 93.8 | Very high | 95.6 | Very high | 116 Ų | 116 | 101.8 Ų | 101.8 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.4 | -36.5 | 177.8 | -178.6 | 57.1 | 72.1 | 0 | 0 | 112.1 | A91 Q92 E93 V99 | A91-Q95 WeakPolarHBondContact O-CB 3.47Å; A91-Q95 PolarHBondContact O-N 3.32Å; A91-Q95 VanDerWaalsContact O-N 3.08Å; Q92-Q95 PolarHBondContact O-N 3.49Å; E93-Q95 VanDerWaalsContact C-N 3.31Å; E93-Q95 PolarHBondContact O-N 3.13Å; Q95-V99 WeakPolarHBondContact O-CG2 3.38Å; Q95-V99 PolarHBondContact O-N 2.86Å |
| 96 | E | 96 | Very high | 95.4 | Very high | 112 Ų | 112 | 101.3 Ų | 101.3 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -44.2 | 170.7 | -75.8 | -165.1 | -169.2 | 0 | 0 | 112.1 | Q92 E93 L98 V99 R100 | Q92-E96 PolarHBondContact O-N 3.46Å; E93-E96 PolarHBondContact O-N 2.88Å; E96-L98 VanDerWaalsContact C-N 3.3Å; E96-L98 PolarHBondContact O-N 3.19Å; E96-V99 CarbonylContact O-C 3.58Å; E96-V99 PolarHBondContact O-N 3.5Å; E96-V99 VanDerWaalsContact O-N 3.08Å; E96-R100 VanDerWaalsContact O-CG 3.32Å; E96-R100 WeakPolarHBondContact O-CG 3.34Å; E96-R100 PolarHBondContact O-N 2.83Å; E96-R100 IonicContact OE2-CZ 3.4Å; E96-R100 IonicContact OE2-NE 3.42Å; E96-R100 IonicContact OE2-NH2 2.85Å; E96-R100 PolarHBondContact OE2-NH2 3.34Å |
| 97 | E | 95.6 | Very high | 95.3 | Very high | 92 Ų | 92 | 100.7 Ų | 100.7 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.1 | -44.5 | 178 | -67.6 | -134.7 | 119.3 | 0 | 0 | 111.8 | E93 I94 V99 R100 Q101 | E93-E97 VanDerWaalsContact O-CG 3.32Å; E93-E97 WeakPolarHBondContact O-CG 3.32Å; E93-E97 PolarHBondContact O-N 3.14Å; I94-E97 PolarHBondContact O-N 3.07Å; E97-V99 VanDerWaalsContact C-N 3.32Å; E97-V99 PolarHBondContact O-N 3.09Å; E97-R100 PolarHBondContact O-N 2.86Å; E97-R100 IonicContact OE1-NH1 2.64Å; E97-Q101 WeakPolarHBondContact O-CB 3.28Å; E97-Q101 VanDerWaalsContact O-CG 3.3Å; E97-Q101 WeakPolarHBondContact O-CG 3.48Å; E97-Q101 PolarHBondContact O-N 3.47Å |
| 98 | L | 94.6 | Very high | 95.1 | Very high | 94 Ų | 94 | 101.6 Ų | 101.6 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 175.8 | -70.4 | 171.4 | 0 | 0 | 0 | 112.2 | I94 E96 A102 | I94-L98 HydrophobicContact CG2-CD1 4.21Å; I94-L98 WeakPolarHBondContact O-CG 3.44Å; I94-L98 PolarHBondContact O-N 3.3Å; E96-L98 VanDerWaalsContact C-N 3.3Å; E96-L98 PolarHBondContact O-N 3.19Å; L98-A102 WeakPolarHBondContact O-CB 3.35Å; L98-A102 PolarHBondContact O-N 2.96Å |
| 99 | V | 96.6 | Very high | 95 | Very high | 70 Ų | 70 | 103.8 Ų | 103.8 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -46.8 | 174.1 | 170.2 | 0 | 0 | 0 | 0 | 111 | Q95 E96 E97 Q101 A102 E103 | Q95-V99 WeakPolarHBondContact O-CG2 3.38Å; Q95-V99 PolarHBondContact O-N 2.86Å; E96-V99 CarbonylContact O-C 3.58Å; E96-V99 PolarHBondContact O-N 3.5Å; E96-V99 VanDerWaalsContact O-N 3.08Å; E97-V99 VanDerWaalsContact C-N 3.32Å; E97-V99 PolarHBondContact O-N 3.09Å; V99-Q101 VanDerWaalsContact C-N 3.3Å; V99-Q101 PolarHBondContact O-N 3.42Å; V99-A102 PolarHBondContact O-N 3.48Å; V99-A102 VanDerWaalsContact O-N 3.15Å; V99-E103 HydrophobicContact CG1-CG 4.44Å; V99-E103 WeakPolarHBondContact O-CG 3.44Å; V99-E103 PolarHBondContact O-N 2.8Å |
| 100 | R | 95.5 | Very high | 94.9 | Very high | 105 Ų | 105 | 103.4 Ų | 103.4 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -40.7 | 176.8 | -65.5 | 175.4 | -143.3 | 145 | 0 | 111.4 | E96 E97 E103 Q104 | E96-R100 VanDerWaalsContact O-CG 3.32Å; E96-R100 WeakPolarHBondContact O-CG 3.34Å; E96-R100 PolarHBondContact O-N 2.83Å; E96-R100 IonicContact OE2-CZ 3.4Å; E96-R100 IonicContact OE2-NE 3.42Å; E96-R100 IonicContact OE2-NH2 2.85Å; E96-R100 PolarHBondContact OE2-NH2 3.34Å; E97-R100 PolarHBondContact O-N 2.86Å; E97-R100 IonicContact OE1-NH1 2.64Å; R100-E103 PolarHBondContact O-N 3Å; R100-Q104 VanDerWaalsContact O-CG 3.3Å; R100-Q104 WeakPolarHBondContact O-CG 3.45Å; R100-Q104 PolarHBondContact O-N 3.4Å |
| 101 | Q | 94.9 | Very high | 94.8 | Very high | 98 Ų | 98 | 105 Ų | 105 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 175 | -71.8 | 176.6 | 31.7 | 0 | 0 | 112 | E97 V99 E103 Q104 Q105 | E97-Q101 WeakPolarHBondContact O-CB 3.28Å; E97-Q101 VanDerWaalsContact O-CG 3.3Å; E97-Q101 WeakPolarHBondContact O-CG 3.48Å; E97-Q101 PolarHBondContact O-N 3.47Å; V99-Q101 VanDerWaalsContact C-N 3.3Å; V99-Q101 PolarHBondContact O-N 3.42Å; Q101-E103 PolarHBondContact O-N 3.06Å; Q101-Q104 PolarHBondContact O-N 3.33Å; Q101-Q105 WeakPolarHBondContact O-CG 3.39Å; Q101-Q105 PolarHBondContact O-N 2.8Å |
| 102 | A | 94.1 | Very high | 94.8 | Very high | 46 Ų | 46 | 107.2 Ų | 107.2 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L98 V99 Q105 R106 | L98-A102 WeakPolarHBondContact O-CB 3.35Å; L98-A102 PolarHBondContact O-N 2.96Å; V99-A102 PolarHBondContact O-N 3.48Å; V99-A102 VanDerWaalsContact O-N 3.15Å; A102-Q105 PolarHBondContact O-N 3.42Å; A102-R106 WeakPolarHBondContact O-CG 3.41Å; A102-R106 PolarHBondContact O-N 2.91Å |
| 103 | E | 95.4 | Very high | 94.7 | Very high | 103 Ų | 103 | 103.7 Ų | 103.7 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 173 | -73.6 | -170.2 | 158.6 | 0 | 0 | 112.3 | V99 R100 Q101 Q105 R106 Q107 | V99-E103 HydrophobicContact CG1-CG 4.44Å; V99-E103 WeakPolarHBondContact O-CG 3.44Å; V99-E103 PolarHBondContact O-N 2.8Å; R100-E103 PolarHBondContact O-N 3Å; Q101-E103 PolarHBondContact O-N 3.06Å; E103-Q105 VanDerWaalsContact C-N 3.35Å; E103-Q105 PolarHBondContact O-N 3.33Å; E103-R106 PolarHBondContact O-N 2.93Å; E103-Q107 WeakPolarHBondContact O-CB 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.12Å; E103-Q107 PolarHBondContact O-N 3.43Å |
| 104 | Q | 95.1 | Very high | 94.6 | Very high | 115 Ų | 115 | 100 Ų | 100 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 174.1 | -73.2 | 174.1 | 25.7 | 0 | 0 | 111.9 | R100 Q101 Q107 Q108 | R100-Q104 VanDerWaalsContact O-CG 3.3Å; R100-Q104 WeakPolarHBondContact O-CG 3.45Å; R100-Q104 PolarHBondContact O-N 3.4Å; Q101-Q104 PolarHBondContact O-N 3.33Å; Q104-Q107 PolarHBondContact O-N 2.9Å; Q104-Q108 WeakPolarHBondContact O-CG 3.45Å; Q104-Q108 PolarHBondContact O-N 2.85Å; Q104-Q108 VanDerWaalsContact O-N 3.09Å |
| 105 | Q | 93.3 | Very high | 94.5 | Very high | 116 Ų | 116 | 100.8 Ų | 100.8 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -49.8 | 173.3 | -72.1 | 174.7 | 5.6 | 0 | 0 | 111.1 | Q101 A102 E103 Q107 Q108 E109 | Q101-Q105 WeakPolarHBondContact O-CG 3.39Å; Q101-Q105 PolarHBondContact O-N 2.8Å; A102-Q105 PolarHBondContact O-N 3.42Å; E103-Q105 VanDerWaalsContact C-N 3.35Å; E103-Q105 PolarHBondContact O-N 3.33Å; Q105-Q107 VanDerWaalsContact C-N 3.27Å; Q105-Q107 PolarHBondContact O-N 3.47Å; Q105-Q108 WeakPolarHBondContact O-CA 3.37Å; Q105-Q108 WeakPolarHBondContact O-CB 3.38Å; Q105-Q108 PolarHBondContact O-N 2.95Å; Q105-E109 WeakPolarHBondContact O-CG 3.21Å; Q105-E109 PolarHBondContact O-N 3.12Å |
| 106 | R | 92.9 | Very high | 94.4 | Very high | 156 Ų | 156 | 98 Ų | 98 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.1 | -35.5 | 176 | -74.6 | -171.9 | 64.7 | -112.2 | -14.9 | 113.2 | A102 E103 Q108 E110 | A102-R106 WeakPolarHBondContact O-CG 3.41Å; A102-R106 PolarHBondContact O-N 2.91Å; E103-R106 PolarHBondContact O-N 2.93Å; R106-Q108 VanDerWaalsContact C-N 3.31Å; R106-E110 WeakPolarHBondContact O-CB 3.46Å; R106-E110 PolarHBondContact O-N 2.91Å |
| 107 | Q | 93.5 | Very high | 94.2 | Very high | 102 Ų | 102 | 101.1 Ų | 101.1 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.2 | -24.4 | 173.4 | -74.9 | -177.2 | 31.9 | 0 | 0 | 113.5 | E103 Q104 Q105 K111 | E103-Q107 WeakPolarHBondContact O-CB 3.3Å; E103-Q107 WeakPolarHBondContact O-CG 3.12Å; E103-Q107 PolarHBondContact O-N 3.43Å; Q104-Q107 PolarHBondContact O-N 2.9Å; Q105-Q107 VanDerWaalsContact C-N 3.27Å; Q105-Q107 PolarHBondContact O-N 3.47Å; Q107-K111 WeakPolarHBondContact O-CD 3.3Å; Q107-K111 WeakPolarHBondContact O-CE 3.35Å; Q107-K111 WeakPolarHBondContact O-CG 3.35Å; Q107-K111 PolarHBondContact O-N 3.3Å; Q107-K111 PolarHBondContact O-NZ 3.31Å |
| 108 | Q | 92.2 | Very high | 94.1 | Very high | 116 Ų | 116 | 103.6 Ų | 103.6 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77.5 | -48.8 | 171.2 | -68.8 | 171.4 | 17.5 | 0 | 0 | 109.8 | Q104 Q105 R106 E110 K111 D112 | Q104-Q108 WeakPolarHBondContact O-CG 3.45Å; Q104-Q108 PolarHBondContact O-N 2.85Å; Q104-Q108 VanDerWaalsContact O-N 3.09Å; Q105-Q108 WeakPolarHBondContact O-CA 3.37Å; Q105-Q108 WeakPolarHBondContact O-CB 3.38Å; Q105-Q108 PolarHBondContact O-N 2.95Å; R106-Q108 VanDerWaalsContact C-N 3.31Å; Q108-E110 VanDerWaalsContact C-N 3.27Å; Q108-E110 PolarHBondContact O-N 3.14Å; Q108-K111 WeakPolarHBondContact O-CB 3.42Å; Q108-K111 PolarHBondContact O-N 3.29Å; Q108-D112 PolarHBondContact O-N 2.86Å |
| 109 | E | 93.1 | Very high | 94 | Very high | 126 Ų | 126 | 104.6 Ų | 104.6 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -54 | -41.1 | 173.6 | -67.7 | 177.2 | 163.6 | 0 | 0 | 112.4 | Q105 D112 A113 | Q105-E109 WeakPolarHBondContact O-CG 3.21Å; Q105-E109 PolarHBondContact O-N 3.12Å; E109-D112 PolarHBondContact O-N 3.33Å; E109-A113 WeakPolarHBondContact O-CB 3.42Å; E109-A113 PolarHBondContact O-N 2.9Å |
| 110 | E | 94.1 | Very high | 93.7 | Very high | 131 Ų | 131 | 108.3 Ų | 108.3 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.3 | -37.6 | 177.4 | -174.9 | 171.6 | -175.4 | 0 | 0 | 112.6 | R106 Q108 A114 | R106-E110 WeakPolarHBondContact O-CB 3.46Å; R106-E110 PolarHBondContact O-N 2.91Å; Q108-E110 VanDerWaalsContact C-N 3.27Å; Q108-E110 PolarHBondContact O-N 3.14Å; E110-A114 VanDerWaalsContact O-CB 3.26Å; E110-A114 WeakPolarHBondContact O-CB 3.33Å; E110-A114 PolarHBondContact O-N 3.39Å |
| 111 | K | 96.3 | Very high | 93.5 | Very high | 121 Ų | 121 | 108.5 Ų | 108.5 | 53% | 0.526 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 174.8 | -72 | 160.7 | -164.4 | 153.5 | 0 | 110.6 | Q107 Q108 A114 I115 | Q107-K111 WeakPolarHBondContact O-CD 3.3Å; Q107-K111 WeakPolarHBondContact O-CE 3.35Å; Q107-K111 WeakPolarHBondContact O-CG 3.35Å; Q107-K111 PolarHBondContact O-N 3.3Å; Q107-K111 PolarHBondContact O-NZ 3.31Å; Q108-K111 WeakPolarHBondContact O-CB 3.42Å; Q108-K111 PolarHBondContact O-N 3.29Å; K111-A114 PolarHBondContact O-N 3.2Å; K111-I115 WeakPolarHBondContact O-CG1 3.36Å; K111-I115 PolarHBondContact O-N 3.49Å |
| 112 | D | 95.4 | Very high | 93.3 | Very high | 105 Ų | 105 | 110.6 Ų | 110.6 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.1 | -39.3 | 178.6 | -71.3 | -13.1 | 0 | 0 | 0 | 111.7 | Q108 E109 A114 I115 A116 | Q108-D112 PolarHBondContact O-N 2.86Å; E109-D112 PolarHBondContact O-N 3.33Å; D112-A114 VanDerWaalsContact C-N 3.33Å; D112-A114 PolarHBondContact O-N 2.96Å; D112-I115 WeakPolarHBondContact O-CB 3.29Å; D112-I115 PolarHBondContact O-N 2.8Å; D112-A116 WeakPolarHBondContact O-CB 3.33Å; D112-A116 PolarHBondContact O-N 2.94Å |
| 113 | A | 94 | Very high | 93 | Very high | 46 Ų | 46 | 114 Ų | 114 | 38% | 0.38 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E109 A116 R117 | E109-A113 WeakPolarHBondContact O-CB 3.42Å; E109-A113 PolarHBondContact O-N 2.9Å; A113-A116 PolarHBondContact O-N 2.91Å; A113-R117 WeakPolarHBondContact O-CB 3.1Å; A113-R117 WeakPolarHBondContact O-CG 3.47Å; A113-R117 PolarHBondContact O-N 2.94Å |
| 114 | A | 94 | Very high | 92.7 | Very high | 39 Ų | 39 | 112.9 Ų | 112.9 | 32% | 0.322 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.1 | -33.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | E110 K111 D112 K118 | E110-A114 VanDerWaalsContact O-CB 3.26Å; E110-A114 WeakPolarHBondContact O-CB 3.33Å; E110-A114 PolarHBondContact O-N 3.39Å; K111-A114 PolarHBondContact O-N 3.2Å; D112-A114 VanDerWaalsContact C-N 3.33Å; D112-A114 PolarHBondContact O-N 2.96Å; A114-K118 VanDerWaalsContact O-CG 3.31Å; A114-K118 WeakPolarHBondContact O-CG 3.35Å; A114-K118 PolarHBondContact O-N 3.48Å |
| 115 | I | 93.5 | Very high | 92 | Very high | 107 Ų | 107 | 112.2 Ų | 112.2 | 55% | 0.549 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 170.4 | -68.6 | 164 | 0 | 0 | 0 | 110.1 | K111 D112 R117 K118 L119 | K111-I115 WeakPolarHBondContact O-CG1 3.36Å; K111-I115 PolarHBondContact O-N 3.49Å; D112-I115 WeakPolarHBondContact O-CB 3.29Å; D112-I115 PolarHBondContact O-N 2.8Å; I115-R117 PolarHBondContact O-N 2.94Å; I115-K118 PolarHBondContact O-N 3.23Å; I115-L119 WeakPolarHBondContact O-CB 3.34Å; I115-L119 PolarHBondContact O-N 3.06Å |
| 116 | A | 93.4 | Very high | 91.6 | Very high | 58 Ų | 58 | 112.7 Ų | 112.7 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D112 A113 L119 Y120 | D112-A116 WeakPolarHBondContact O-CB 3.33Å; D112-A116 PolarHBondContact O-N 2.94Å; A113-A116 PolarHBondContact O-N 2.91Å; A116-L119 PolarHBondContact O-N 3.26Å; A116-Y120 WeakPolarHBondContact O-CB 3.45Å; A116-Y120 PolarHBondContact O-N 3.43Å |
| 117 | R | 91.8 | Very high | 91.2 | Very high | 177 Ų | 177 | 108.9 Ų | 108.9 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.1 | -50.2 | 173.8 | -75.6 | 178.8 | -175.3 | -165.9 | 3.8 | 112 | A113 I115 L119 Y120 E121 | A113-R117 WeakPolarHBondContact O-CB 3.1Å; A113-R117 WeakPolarHBondContact O-CG 3.47Å; A113-R117 PolarHBondContact O-N 2.94Å; I115-R117 PolarHBondContact O-N 2.94Å; R117-L119 VanDerWaalsContact C-N 3.25Å; R117-L119 PolarHBondContact O-N 3.41Å; R117-Y120 PolarHBondContact O-N 3.49Å; R117-E121 WeakPolarHBondContact O-CB 3.24Å; R117-E121 VanDerWaalsContact O-CG 3.31Å; R117-E121 WeakPolarHBondContact O-CG 3.48Å; R117-E121 PolarHBondContact O-N 2.97Å |
| 118 | K | 92.9 | Very high | 90.7 | Very high | 145 Ų | 145 | 109 Ų | 109 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.5 | -32.6 | 177.4 | -73.4 | 171.4 | -178.5 | 174.1 | 0 | 112.8 | A114 I115 K122 | A114-K118 VanDerWaalsContact O-CG 3.31Å; A114-K118 WeakPolarHBondContact O-CG 3.35Å; A114-K118 PolarHBondContact O-N 3.48Å; I115-K118 PolarHBondContact O-N 3.23Å; K118-K122 WeakPolarHBondContact O-CB 3.45Å; K118-K122 PolarHBondContact O-N 3.27Å |
| 119 | L | 92.7 | Very high | 90.2 | Very high | 114 Ų | 114 | 111.1 Ų | 111.1 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.2 | -45.1 | 175.4 | -173.5 | 138.1 | 0 | 0 | 0 | 111.3 | I115 A116 R117 K122 E123 | I115-L119 WeakPolarHBondContact O-CB 3.34Å; I115-L119 PolarHBondContact O-N 3.06Å; A116-L119 PolarHBondContact O-N 3.26Å; R117-L119 VanDerWaalsContact C-N 3.25Å; R117-L119 PolarHBondContact O-N 3.41Å; L119-K122 PolarHBondContact O-N 3.06Å; L119-E123 PolarHBondContact O-N 3.27Å |
| 120 | Y | 90.8 | Very high | 89.6 | Confident | 148 Ų | 148 | 113.2 Ų | 113.2 | 58% | 0.58 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.7 | -47.6 | 175.5 | 177.1 | -99.8 | 0 | 0 | 0 | 112.5 | A116 R117 K122 E123 M124 | A116-Y120 WeakPolarHBondContact O-CB 3.45Å; A116-Y120 PolarHBondContact O-N 3.43Å; R117-Y120 PolarHBondContact O-N 3.49Å; Y120-K122 VanDerWaalsContact C-N 3.27Å; Y120-K122 PolarHBondContact O-N 2.85Å; Y120-E123 PolarHBondContact O-N 3.21Å; Y120-M124 HydrophobicContact CD1-CG 4.17Å; Y120-M124 HydrophobicContact CE1-CG 3.74Å; Y120-M124 HydrophobicContact CE2-CG 4.14Å; Y120-M124 HydrophobicContact CE2-SD 4.26Å; Y120-M124 WeakPolarHBondContact O-CG 3.38Å; Y120-M124 PolarHBondContact O-N 2.8Å |
| 121 | E | 90.4 | Very high | 89 | Confident | 110 Ų | 110 | 113.6 Ų | 113.6 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.4 | -41.9 | 174 | -72.6 | 162.9 | -165.4 | 0 | 0 | 111.6 | R117 E123 M125 | R117-E121 WeakPolarHBondContact O-CB 3.24Å; R117-E121 VanDerWaalsContact O-CG 3.31Å; R117-E121 WeakPolarHBondContact O-CG 3.48Å; R117-E121 PolarHBondContact O-N 2.97Å; E121-E123 VanDerWaalsContact C-N 3.31Å; E121-E123 PolarHBondContact O-N 3.37Å; E121-M125 WeakPolarHBondContact O-CB 3.46Å; E121-M125 VanDerWaalsContact O-CG 3.24Å; E121-M125 WeakPolarHBondContact O-CG 3.47Å; E121-M125 PolarHBondContact O-N 3.08Å |
| 122 | K | 90 | Very high | 88.1 | Confident | 142 Ų | 142 | 113 Ų | 113 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.7 | -23.2 | 177.2 | -172.6 | 174.3 | -175.5 | 176.1 | 0 | 113.3 | K118 L119 Y120 K126 | K118-K122 WeakPolarHBondContact O-CB 3.45Å; K118-K122 PolarHBondContact O-N 3.27Å; L119-K122 PolarHBondContact O-N 3.06Å; Y120-K122 VanDerWaalsContact C-N 3.27Å; Y120-K122 PolarHBondContact O-N 2.85Å; K122-K126 WeakPolarHBondContact O-CD 3.32Å; K122-K126 VanDerWaalsContact O-CG 3.24Å; K122-K126 WeakPolarHBondContact O-CG 3.4Å; K122-K126 PolarHBondContact O-N 3.3Å |
| 123 | E | 89.3 | Confident | 87.2 | Confident | 118 Ų | 118 | 114.3 Ų | 114.3 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -79.5 | -47.8 | 171.3 | -176.9 | 149.6 | -129.4 | 0 | 0 | 111.1 | L119 Y120 E121 M125 K126 E127 | L119-E123 PolarHBondContact O-N 3.27Å; Y120-E123 PolarHBondContact O-N 3.21Å; E121-E123 VanDerWaalsContact C-N 3.31Å; E121-E123 PolarHBondContact O-N 3.37Å; E123-M125 VanDerWaalsContact C-N 3.33Å; E123-M125 PolarHBondContact O-N 2.97Å; E123-K126 CarbonylContact O-C 3.56Å; E123-K126 WeakPolarHBondContact O-CA 3.48Å; E123-K126 WeakPolarHBondContact O-CB 3.4Å; E123-K126 PolarHBondContact O-N 3.04Å; E123-E127 PolarHBondContact O-N 2.96Å |
| 124 | M | 87.8 | Confident | 86.2 | Confident | 78 Ų | 78 | 118.1 Ų | 118.1 | 38% | 0.384 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -54.2 | -47.2 | 172.3 | -71.4 | -60.3 | -60.7 | 0 | 0 | 111.6 | Y120 K126 E127 E128 | Y120-M124 HydrophobicContact CD1-CG 4.17Å; Y120-M124 HydrophobicContact CE1-CG 3.74Å; Y120-M124 HydrophobicContact CE2-CG 4.14Å; Y120-M124 HydrophobicContact CE2-SD 4.26Å; Y120-M124 WeakPolarHBondContact O-CG 3.38Å; Y120-M124 PolarHBondContact O-N 2.8Å; M124-K126 VanDerWaalsContact C-N 3.25Å; M124-K126 PolarHBondContact O-N 2.76Å; M124-E127 PolarHBondContact O-N 3.42Å; M124-E127 VanDerWaalsContact O-N 3.14Å; M124-E128 WeakPolarHBondContact O-CB 3.33Å; M124-E128 PolarHBondContact O-N 3.48Å |
| 125 | M | 81.9 | Confident | 84.9 | Confident | 102 Ų | 102 | 121 Ų | 121 | 50% | 0.502 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.3 | -24.4 | 175.6 | -74.4 | -73.5 | -76.7 | 0 | 0 | 113.8 | E121 E123 R129 | E121-M125 WeakPolarHBondContact O-CB 3.46Å; E121-M125 VanDerWaalsContact O-CG 3.24Å; E121-M125 WeakPolarHBondContact O-CG 3.47Å; E121-M125 PolarHBondContact O-N 3.08Å; E123-M125 VanDerWaalsContact C-N 3.33Å; E123-M125 PolarHBondContact O-N 2.97Å; M125-R129 WeakPolarHBondContact O-CB 3.41Å; M125-R129 VanDerWaalsContact O-CD 3.31Å; M125-R129 WeakPolarHBondContact O-CD 3.36Å; M125-R129 WeakPolarHBondContact O-CG 3.49Å; M125-R129 PolarHBondContact O-N 3.42Å |
| 126 | K | 84.3 | Confident | 83.3 | Confident | 126 Ų | 126 | 121.3 Ų | 121.3 | 55% | 0.548 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -80.9 | -38.3 | 171.5 | -76.6 | 168.7 | 179.6 | 178.9 | 0 | 111.6 | K122 E123 M124 R129 R130 | K122-K126 WeakPolarHBondContact O-CD 3.32Å; K122-K126 VanDerWaalsContact O-CG 3.24Å; K122-K126 WeakPolarHBondContact O-CG 3.4Å; K122-K126 PolarHBondContact O-N 3.3Å; E123-K126 CarbonylContact O-C 3.56Å; E123-K126 WeakPolarHBondContact O-CA 3.48Å; E123-K126 WeakPolarHBondContact O-CB 3.4Å; E123-K126 PolarHBondContact O-N 3.04Å; M124-K126 VanDerWaalsContact C-N 3.25Å; M124-K126 PolarHBondContact O-N 2.76Å; K126-R129 PolarHBondContact O-N 2.92Å; K126-R130 WeakPolarHBondContact O-CG 3.34Å; K126-R130 PolarHBondContact O-N 3.5Å |
| 127 | E | 84.1 | Confident | 81.9 | Confident | 76 Ų | 76 | 121 Ų | 121 | 36% | 0.355 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.4 | -41.9 | 178.3 | -152.3 | -154.6 | 135.3 | 0 | 0 | 111 | E123 M124 R129 R130 R131 | E123-E127 PolarHBondContact O-N 2.96Å; M124-E127 PolarHBondContact O-N 3.42Å; M124-E127 VanDerWaalsContact O-N 3.14Å; E127-R129 VanDerWaalsContact C-N 3.34Å; E127-R129 PolarHBondContact O-N 3.02Å; E127-R130 CarbonylContact O-C 3.53Å; E127-R130 WeakPolarHBondContact O-CA 3.32Å; E127-R130 WeakPolarHBondContact O-CB 3.34Å; E127-R130 PolarHBondContact O-N 2.95Å; E127-R131 WeakPolarHBondContact O-CG 3.47Å; E127-R131 PolarHBondContact O-N 3.48Å; E127-R131 IonicContact OE1-CZ 3.91Å; E127-R131 IonicContact OE1-NE 2.9Å; E127-R131 PolarHBondContact OE1-NE 2.96Å; E127-R131 IonicContact OE1-NH2 2.75Å; E127-R131 PolarHBondContact OE1-NH2 3.37Å; E127-R131 IonicContact OE2-NH2 3.94Å |
| 128 | E | 82.2 | Confident | 80.4 | Confident | 104 Ų | 104 | 118.3 Ų | 118.3 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 172 | -172.8 | 173.3 | -157.8 | 0 | 0 | 111.2 | M124 R130 R131 Q132 | M124-E128 WeakPolarHBondContact O-CB 3.33Å; M124-E128 PolarHBondContact O-N 3.48Å; E128-R130 VanDerWaalsContact C-N 3.29Å; E128-R130 PolarHBondContact O-N 3.34Å; E128-R131 CarbonylContact O-C 3.6Å; E128-R131 PolarHBondContact O-N 2.85Å; E128-R131 VanDerWaalsContact O-N 3.17Å; E128-Q132 WeakPolarHBondContact O-CB 3.24Å; E128-Q132 VanDerWaalsContact O-CG 3.3Å; E128-Q132 WeakPolarHBondContact O-CG 3.47Å; E128-Q132 PolarHBondContact O-N 3.44Å |
| 129 | R | 81.4 | Confident | 78.7 | Confident | 160 Ų | 160 | 118.9 Ų | 118.9 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.6 | -30.7 | 171.2 | -76.6 | 173.3 | -178.6 | -158.8 | -1.5 | 113.6 | M125 K126 E127 K133 | M125-R129 WeakPolarHBondContact O-CB 3.41Å; M125-R129 VanDerWaalsContact O-CD 3.31Å; M125-R129 WeakPolarHBondContact O-CD 3.36Å; M125-R129 WeakPolarHBondContact O-CG 3.49Å; M125-R129 PolarHBondContact O-N 3.42Å; K126-R129 PolarHBondContact O-N 2.92Å; E127-R129 VanDerWaalsContact C-N 3.34Å; E127-R129 PolarHBondContact O-N 3.02Å; R129-K133 WeakPolarHBondContact O-CB 3.33Å; R129-K133 VanDerWaalsContact O-CG 3.31Å; R129-K133 WeakPolarHBondContact O-CG 3.49Å; R129-K133 PolarHBondContact O-N 3.08Å |
| 130 | R | 82.3 | Confident | 77 | Confident | 171 Ų | 171 | 119.1 Ų | 119.1 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.2 | -40.7 | 171.9 | -76.7 | 168.5 | 167.4 | 175.1 | -5.2 | 111.5 | K126 E127 E128 K133 Q134 | K126-R130 WeakPolarHBondContact O-CG 3.34Å; K126-R130 PolarHBondContact O-N 3.5Å; E127-R130 CarbonylContact O-C 3.53Å; E127-R130 WeakPolarHBondContact O-CA 3.32Å; E127-R130 WeakPolarHBondContact O-CB 3.34Å; E127-R130 PolarHBondContact O-N 2.95Å; E128-R130 VanDerWaalsContact C-N 3.29Å; E128-R130 PolarHBondContact O-N 3.34Å; R130-K133 PolarHBondContact O-N 2.89Å; R130-Q134 WeakPolarHBondContact O-CG 3.37Å; R130-Q134 PolarHBondContact O-N 3.46Å |
| 131 | R | 80.7 | Confident | 75.1 | Confident | 139 Ų | 139 | 118.1 Ų | 118.1 | 53% | 0.525 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 175.1 | -66.8 | 174.8 | -173.6 | -165.2 | 5.4 | 111.2 | E127 E128 K133 Q134 M135 | E127-R131 WeakPolarHBondContact O-CG 3.47Å; E127-R131 PolarHBondContact O-N 3.48Å; E127-R131 IonicContact OE1-CZ 3.91Å; E127-R131 IonicContact OE1-NE 2.9Å; E127-R131 PolarHBondContact OE1-NE 2.96Å; E127-R131 IonicContact OE1-NH2 2.75Å; E127-R131 PolarHBondContact OE1-NH2 3.37Å; E127-R131 IonicContact OE2-NH2 3.94Å; E128-R131 CarbonylContact O-C 3.6Å; E128-R131 PolarHBondContact O-N 2.85Å; E128-R131 VanDerWaalsContact O-N 3.17Å; R131-K133 PolarHBondContact O-N 3.2Å; R131-Q134 CarbonylContact O-C 3.59Å; R131-Q134 WeakPolarHBondContact O-CB 3.26Å; R131-Q134 PolarHBondContact O-N 2.97Å; R131-Q134 VanDerWaalsContact O-N 3.09Å; R131-M135 WeakPolarHBondContact O-CG 3.45Å; R131-M135 PolarHBondContact O-N 3Å |
| 132 | Q | 76.6 | Confident | 73.3 | Confident | 107 Ų | 107 | 118.2 Ų | 118.2 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -55.7 | -49.5 | 170.8 | -74.3 | 169.8 | -4.2 | 0 | 0 | 110.4 | E128 Q134 M135 E136 | E128-Q132 WeakPolarHBondContact O-CB 3.24Å; E128-Q132 VanDerWaalsContact O-CG 3.3Å; E128-Q132 WeakPolarHBondContact O-CG 3.47Å; E128-Q132 PolarHBondContact O-N 3.44Å; Q132-Q134 VanDerWaalsContact C-N 3.28Å; Q132-Q134 PolarHBondContact O-N 3.39Å; Q132-M135 PolarHBondContact O-N 2.89Å; Q132-E136 VanDerWaalsContact O-CB 3.27Å; Q132-E136 WeakPolarHBondContact O-CB 3.49Å; Q132-E136 PolarHBondContact O-N 2.99Å |
| 133 | K | 77.8 | Confident | 71.4 | Confident | 134 Ų | 134 | 120.5 Ų | 120.5 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -29.3 | 174.3 | -80.5 | -179.9 | 168.8 | -63.7 | 0 | 114.7 | R129 R130 R131 E136 A137 | R129-K133 WeakPolarHBondContact O-CB 3.33Å; R129-K133 VanDerWaalsContact O-CG 3.31Å; R129-K133 WeakPolarHBondContact O-CG 3.49Å; R129-K133 PolarHBondContact O-N 3.08Å; R130-K133 PolarHBondContact O-N 2.89Å; R131-K133 PolarHBondContact O-N 3.2Å; K133-E136 IonicContact NZ-OE2 3.74Å; K133-A137 WeakPolarHBondContact O-CB 3.48Å; K133-A137 PolarHBondContact O-N 3.21Å |
| 134 | Q | 72.7 | Confident | 69.7 | Low | 126 Ų | 126 | 121.9 Ų | 121.9 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -77.3 | -24.7 | 173.3 | -75.5 | 172.1 | -3.3 | 0 | 0 | 113.1 | R130 R131 Q132 K138 | R130-Q134 WeakPolarHBondContact O-CG 3.37Å; R130-Q134 PolarHBondContact O-N 3.46Å; R131-Q134 CarbonylContact O-C 3.59Å; R131-Q134 WeakPolarHBondContact O-CB 3.26Å; R131-Q134 PolarHBondContact O-N 2.97Å; R131-Q134 VanDerWaalsContact O-N 3.09Å; Q132-Q134 VanDerWaalsContact C-N 3.28Å; Q132-Q134 PolarHBondContact O-N 3.39Å; Q134-K138 WeakPolarHBondContact O-CD 3.46Å; Q134-K138 VanDerWaalsContact O-CG 3.27Å; Q134-K138 WeakPolarHBondContact O-CG 3.43Å; Q134-K138 PolarHBondContact O-N 2.99Å |
| 135 | M | 65.7 | Low | 68 | Low | 99 Ų | 99 | 125.7 Ų | 125.7 | 49% | 0.488 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -81.1 | -44.2 | 170.8 | -64.1 | -61.9 | -63.9 | 0 | 0 | 110.6 | R131 Q132 K138 Y139 | R131-M135 WeakPolarHBondContact O-CG 3.45Å; R131-M135 PolarHBondContact O-N 3Å; Q132-M135 PolarHBondContact O-N 2.89Å; M135-K138 WeakPolarHBondContact O-CB 3.44Å; M135-K138 PolarHBondContact O-N 2.9Å; M135-K138 VanDerWaalsContact O-N 3.15Å; M135-Y139 HydrophobicContact CE-CE2 4.43Å; M135-Y139 WeakPolarHBondContact O-CD2 3.25Å; M135-Y139 PolarHBondContact O-N 3.37Å |
| 136 | E | 60.6 | Low | 66.5 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -55.7 | -50.5 | 173 | -174.7 | 175.8 | -132.5 | 0 | 0 | 110.6 | Q132 K133 K138 Y139 E140 | Q132-E136 VanDerWaalsContact O-CB 3.27Å; Q132-E136 WeakPolarHBondContact O-CB 3.49Å; Q132-E136 PolarHBondContact O-N 2.99Å; K133-E136 IonicContact NZ-OE2 3.74Å; E136-K138 VanDerWaalsContact C-N 3.29Å; E136-K138 PolarHBondContact O-N 2.92Å; E136-Y139 PolarHBondContact O-N 2.9Å; E136-E140 WeakPolarHBondContact O-CB 3.44Å; E136-E140 PolarHBondContact O-N 3.43Å |
| 137 | A | 64 | Low | 64.5 | Low | 51 Ų | 51 | 129.2 Ų | 129.2 | 42% | 0.421 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.5 | -32.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K133 E140 E141 | K133-A137 WeakPolarHBondContact O-CB 3.48Å; K133-A137 PolarHBondContact O-N 3.21Å; A137-E140 PolarHBondContact O-N 2.88Å; A137-E141 WeakPolarHBondContact O-CB 3.29Å; A137-E141 PolarHBondContact O-N 3.2Å |
| 138 | K | 60.5 | Low | 62.2 | Low | 121 Ų | 121 | 129.1 Ų | 129.1 | 53% | 0.526 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.4 | -41.4 | 173.9 | -77.5 | 175.1 | 177.4 | -169.8 | 0 | 112.4 | Q134 M135 E136 E140 E141 D142 | Q134-K138 WeakPolarHBondContact O-CD 3.46Å; Q134-K138 VanDerWaalsContact O-CG 3.27Å; Q134-K138 WeakPolarHBondContact O-CG 3.43Å; Q134-K138 PolarHBondContact O-N 2.99Å; M135-K138 WeakPolarHBondContact O-CB 3.44Å; M135-K138 PolarHBondContact O-N 2.9Å; M135-K138 VanDerWaalsContact O-N 3.15Å; E136-K138 VanDerWaalsContact C-N 3.29Å; E136-K138 PolarHBondContact O-N 2.92Å; K138-E140 PolarHBondContact O-N 3.35Å; K138-E141 PolarHBondContact O-N 3.5Å; K138-D142 WeakPolarHBondContact O-CB 3.4Å; K138-D142 PolarHBondContact O-N 3.49Å |
| 139 | Y | 56.7 | Low | 59.9 | Low | 158 Ų | 158 | 129 Ų | 129 | 62% | 0.62 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.6 | -28.3 | 173.3 | -74.6 | -59.6 | 0 | 0 | 0 | 112.5 | M135 E136 Y143 | M135-Y139 HydrophobicContact CE-CE2 4.43Å; M135-Y139 WeakPolarHBondContact O-CD2 3.25Å; M135-Y139 PolarHBondContact O-N 3.37Å; E136-Y139 PolarHBondContact O-N 2.9Å; Y139-Y143 VanDerWaalsContact O-CB 3.26Å; Y139-Y143 WeakPolarHBondContact O-CB 3.43Å; Y139-Y143 PolarHBondContact O-N 2.91Å; Y139-Y143 VanDerWaalsContact O-N 3.17Å |
| 140 | E | 56.2 | Low | 57.7 | Low | 119 Ų | 119 | 127.7 Ų | 127.7 | 56% | 0.556 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -79.4 | -35.5 | 175 | -161.5 | 164.4 | -138.2 | 0 | 0 | 111.3 | E136 A137 K138 Y143 F144 | E136-E140 WeakPolarHBondContact O-CB 3.44Å; E136-E140 PolarHBondContact O-N 3.43Å; A137-E140 PolarHBondContact O-N 2.88Å; K138-E140 PolarHBondContact O-N 3.35Å; E140-Y143 PolarHBondContact O-N 3.15Å; E140-F144 HydrophobicContact CG-CD2 4.21Å; E140-F144 HydrophobicContact CG-CE2 4.26Å; E140-F144 WeakPolarHBondContact O-CD2 3.47Å; E140-F144 PolarHBondContact O-N 3.5Å |
| 141 | E | 52.7 | Low | 56.5 | Low | 126 Ų | 126 | 125 Ų | 125 | 59% | 0.589 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.5 | -52.8 | 169 | -166 | 162.8 | -133.1 | 0 | 0 | 110.3 | A137 K138 Y143 F144 E145 | A137-E141 WeakPolarHBondContact O-CB 3.29Å; A137-E141 PolarHBondContact O-N 3.2Å; K138-E141 PolarHBondContact O-N 3.5Å; E141-Y143 PolarHBondContact O-N 2.83Å; E141-Y143 VanDerWaalsContact O-N 3.1Å; E141-F144 PolarHBondContact O-N 2.91Å; E141-F144 VanDerWaalsContact O-N 3.09Å; E141-E145 WeakPolarHBondContact O-CB 3.47Å; E141-E145 PolarHBondContact O-N 2.94Å |
| 142 | D | 51.4 | Low | 54.3 | Low | 113 Ų | 113 | 127.6 Ų | 127.6 | 60% | 0.604 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -54.5 | -28.5 | 171.7 | -76.1 | -33.1 | 0 | 0 | 0 | 113.1 | K138 | K138-D142 WeakPolarHBondContact O-CB 3.4Å; K138-D142 PolarHBondContact O-N 3.49Å |
| 143 | Y | 50.4 | Low | 52.3 | Low | 190 Ų | 190 | 127.6 Ų | 127.6 | 75% | 0.745 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -86.9 | -24.1 | -179.5 | -170.3 | -103.7 | 0 | 0 | 0 | 113.6 | Y139 E140 E141 | Y139-Y143 VanDerWaalsContact O-CB 3.26Å; Y139-Y143 WeakPolarHBondContact O-CB 3.43Å; Y139-Y143 PolarHBondContact O-N 2.91Å; Y139-Y143 VanDerWaalsContact O-N 3.17Å; E140-Y143 PolarHBondContact O-N 3.15Å; E141-Y143 PolarHBondContact O-N 2.83Å; E141-Y143 VanDerWaalsContact O-N 3.1Å |
| 144 | F | 53.2 | Low | 50.5 | Low | 146 Ų | 146 | 125 Ų | 125 | 64% | 0.64 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -92.3 | -22.9 | 174.7 | -89 | -84.1 | 0 | 0 | 0 | 113.3 | E140 E141 D146 H147 | E140-F144 HydrophobicContact CG-CD2 4.21Å; E140-F144 HydrophobicContact CG-CE2 4.26Å; E140-F144 WeakPolarHBondContact O-CD2 3.47Å; E140-F144 PolarHBondContact O-N 3.5Å; E141-F144 PolarHBondContact O-N 2.91Å; E141-F144 VanDerWaalsContact O-N 3.09Å; F144-D146 VanDerWaalsContact C-N 3.26Å; F144-D146 PolarHBondContact O-N 3.37Å; F144-H147 PolarHBondContact O-N 2.83Å |
| 145 | E | 53.2 | Low | 48.8 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -65.2 | -24 | -176.9 | -160 | 118.8 | -121.6 | 0 | 0 | 113.6 | E141 H147 | E141-E145 WeakPolarHBondContact O-CB 3.47Å; E141-E145 PolarHBondContact O-N 2.94Å; E145-H147 VanDerWaalsContact C-N 3.29Å; E145-H147 PolarHBondContact O-N 3.21Å |
| 146 | D | 50.3 | Low | 47.7 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -76.8 | -7.2 | 176.8 | -165 | 50.1 | 0 | 0 | 0 | 113.8 | F144 | F144-D146 VanDerWaalsContact C-N 3.26Å; F144-D146 PolarHBondContact O-N 3.37Å |
| 147 | H | 42.8 | Very low | 46.6 | Very low | 167 Ų | 167 | 127 Ų | 127 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -129.8 | 46.8 | -170.9 | -85.7 | 22.5 | 0 | 0 | 0 | 115.7 | F144 E145 | F144-H147 PolarHBondContact O-N 2.83Å; E145-H147 VanDerWaalsContact C-N 3.29Å; E145-H147 PolarHBondContact O-N 3.21Å |
| 148 | G | 34.1 | Very low | 45.7 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | trans | 136.4 | 135.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 149 | A | 35.6 | Very low | 44.5 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | trans | -72.9 | 172.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 150 | E | 35.1 | Very low | 43.3 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 62% | 0.621 | 70% | 0.704 | S | S | * | * | cis | -150.6 | 159.7 | 18.9 | -137 | -143.4 | 161.9 | 0 | 0 | 109.7 | R152 | E150-R152 IonicContact OE1-NH2 2.82Å; E150-R152 IonicContact OE2-CZ 3.13Å; E150-R152 IonicContact OE2-NH1 2.58Å; E150-R152 PolarHBondContact OE2-NH1 3.23Å; E150-R152 IonicContact OE2-NH2 2.65Å; E150-R152 PolarHBondContact OE2-NH2 3.5Å | ||
| 151 | P | 57 | Low | 42.5 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 74% | 0.74 | 72% | 0.715 | S | S | * | * | trans | -95.9 | 126 | -175.7 | 34.5 | -29.5 | 0 | 0 | 0 | 114 | ||||
| 152 | R | 34.2 | Very low | 41.8 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 73% | 0.732 | 72% | 0.722 | S | S | * | * | trans | -147.5 | 126.1 | 173.6 | -84.6 | -154.9 | 176.9 | 80.1 | 22.5 | 116.2 | E150 | E150-R152 IonicContact OE1-NH2 2.82Å; E150-R152 IonicContact OE2-CZ 3.13Å; E150-R152 IonicContact OE2-NH1 2.58Å; E150-R152 PolarHBondContact OE2-NH1 3.23Å; E150-R152 IonicContact OE2-NH2 2.65Å; E150-R152 PolarHBondContact OE2-NH2 3.5Å | ||
| 153 | S | 34.3 | Very low | 40.8 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | trans | 31.7 | 149.3 | 131.9 | 62.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 154 | A | 39.7 | Very low | 40 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 65% | 0.653 | 73% | 0.725 | S | S | * | * | cis | -174.6 | -174.7 | -10 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 155 | D | 36.7 | Very low | 38.9 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | 72.4 | 111.6 | 158.7 | -65.1 | -40 | 0 | 0 | 0 | 118.6 | ||||
| 156 | V | 42.8 | Very low | 38.2 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | 78.7 | 92.9 | 81.6 | 168.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 157 | D | 38.3 | Very low | 38.2 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | -178.1 | 172.5 | 89.2 | -115.8 | 15.8 | 0 | 0 | 0 | 110.9 | |||||
| 158 | K | 44.7 | Very low | 37.6 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 65% | 0.648 | 74% | 0.735 | S | S | * | * | cis | -174.2 | 171.9 | -21.8 | -120.6 | -173.4 | -153 | 84.9 | 0 | 104.6 | ||||
| 159 | R | 34.5 | Very low | 37.7 | Very low | 228 Ų | 228 | 139.8 Ų | 139.8 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | cis | -166.4 | 110.7 | 3.7 | -148.8 | -176.4 | -170.7 | -178.7 | 2.7 | 109.8 | ||||
| 160 | S | 33 | Very low | 37.5 | Very low | 99 Ų | 99 | 143.8 Ų | 143.8 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | trans | -168.9 | 117.6 | 158.4 | -171.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 161 | R | 38.9 | Very low | 37.2 | Very low | 214 Ų | 214 | 141 Ų | 141 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | 38.3 | 136.5 | 138.8 | -56.6 | 176.9 | 179.5 | 131.9 | -5.6 | 120.8 | ||||
| 162 | Q | 37 | Very low | 36.2 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | cis | -164.1 | 130.2 | -3.9 | -124.4 | 161.5 | -50.4 | 0 | 0 | 112.3 | ||||
| 163 | T | 30.8 | Very low | 36.1 | Very low | 112 Ų | 112 | 142 Ų | 142 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | trans | 43.8 | 106.9 | 138.5 | 56.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 164 | S | 34.3 | Very low | 36.3 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | 46.3 | 99.2 | 126.1 | 62.9 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 165 | R | 29.1 | Very low | 36.4 | Very low | 240 Ų | 240 | 143.9 Ų | 143.9 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | -48.8 | 142.3 | 125.5 | 169 | -170.8 | 179.3 | -159.9 | 2.4 | 109.3 | |||||
| 166 | S | 39 | Very low | 36.2 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | cis | -140.5 | -166.9 | 15.1 | -104.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 167 | P | 51.3 | Low | 36 | Very low | 104 Ų | 104 | 149 Ų | 149 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | cis | -139.4 | -153.1 | 11.9 | 40.2 | -16.1 | 0 | 0 | 0 | 115.7 | ||||
| 168 | D | 30.1 | Very low | 35.7 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 87.5 | 165.3 | 158.7 | -62.4 | -22.3 | 0 | 0 | 0 | 121.6 | ||||
| 169 | L | 36.4 | Very low | 35 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -129.8 | 170.9 | -149.3 | -85.9 | 159.8 | 0 | 0 | 0 | 112.8 | ||||
| 170 | H | 29.7 | Very low | 34.8 | Very low | 187 Ų | 187 | 148.4 Ų | 148.4 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | 82.8 | 125.1 | 161.7 | -136.7 | -51.5 | 0 | 0 | 0 | 117.1 | ||||
| 171 | G | 29.6 | Very low | 34.7 | Very low | 74 Ų | 74 | 153.6 Ų | 153.6 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 161.8 | 95.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 172 | S | 36.3 | Very low | 34.2 | Very low | 102 Ų | 102 | 151.6 Ų | 151.6 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -91.3 | 136.8 | -179.2 | -48.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 173 | Y | 31.1 | Very low | 34 | Very low | 227 Ų | 227 | 148.4 Ų | 148.4 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | -177.3 | 168.5 | 121.5 | -117 | -97.9 | 0 | 0 | 0 | 112.8 | |||||
| 174 | S | 38.3 | Very low | 35.1 | Very low | 98 Ų | 98 | 148.1 Ų | 148.1 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -73.9 | 157.4 | -169.9 | -43.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 175 | P | 41.8 | Very low | 34.9 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -112.6 | 138.9 | 141.9 | 32.8 | -24 | 0 | 0 | 0 | 112 | ||||
| 176 | S | 34.3 | Very low | 35.1 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -79.1 | 155.1 | 177.8 | -73.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 177 | R | 36.8 | Very low | 34.7 | Very low | 246 Ų | 246 | 153.8 Ų | 153.8 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | trans | -70.5 | 146.7 | -172.9 | -56.6 | 169.5 | 175.3 | -179.4 | -3.7 | 113.8 | ||||
| 178 | S | 32.7 | Very low | 34.3 | Very low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | -163.1 | 151.6 | 128.1 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 179 | N | 29.3 | Very low | 34.5 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | 89.3 | 105.3 | -174.7 | -61.8 | -48.7 | 0 | 0 | 0 | 115.7 | ||||
| 180 | R | 31.5 | Very low | 34.3 | Very low | 234 Ų | 234 | 150.6 Ų | 150.6 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | 75.6 | 78.2 | 64.4 | -172.1 | -177.6 | -89.5 | 177.8 | -7.1 | 110.9 | |||||
| 181 | K | 30 | Very low | 34.9 | Very low | 209 Ų | 209 | 146.7 Ų | 146.7 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -90.9 | 149.5 | 161 | -74.6 | -93 | -174 | 171.6 | 0 | 108.7 | ||||
| 182 | H | 28.5 | Very low | 35.2 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -147.4 | 125.7 | 171.9 | -179.3 | 75.4 | 0 | 0 | 0 | 110.1 | ||||
| 183 | S | 32.9 | Very low | 35 | Very low | 88 Ų | 88 | 157.9 Ų | 157.9 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | trans | 60.4 | 166.9 | 166.8 | -64.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 184 | P | 54.8 | Low | 35.3 | Very low | 106 Ų | 106 | 152.7 Ų | 152.7 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | cis | -102.6 | -170.3 | -7.6 | 28.1 | -6.4 | 0 | 0 | 0 | 110.7 | ||||
| 185 | D | 30 | Very low | 35.1 | Very low | 131 Ų | 131 | 159.2 Ų | 159.2 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | -154.9 | 166.6 | 31.4 | -101.3 | -58.4 | 0 | 0 | 0 | 113.9 | ||||
| 186 | Y | 32.7 | Very low | 34.7 | Very low | 196 Ų | 196 | 163.5 Ų | 163.5 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 39.9 | 123.2 | 153 | -90.5 | -103.3 | 0 | 0 | 0 | 121.8 | ||||
| 187 | Y | 31.4 | Very low | 35.1 | Very low | 236 Ų | 236 | 163.2 Ų | 163.2 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -154.1 | 132.9 | 135.9 | -107.6 | -71.4 | 0 | 0 | 0 | 112.3 | ||||
| 188 | S | 41.7 | Very low | 35 | Very low | 107 Ų | 107 | 160.6 Ų | 160.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -122 | 118.8 | 166.8 | -67 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 189 | A | 35.5 | Very low | 35.2 | Very low | 92 Ų | 92 | 164.7 Ų | 164.7 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | 174.7 | 139 | 152 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 190 | E | 31.8 | Very low | 35.2 | Very low | 160 Ų | 160 | 165.7 Ų | 165.7 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | 53.1 | 119.8 | 150.4 | -62.8 | -168.8 | 171.9 | 0 | 0 | 122 | K192 | E190-K192 IonicContact OE2-NZ 2.65Å; E190-K192 PolarHBondContact OE2-NZ 2.92Å | ||
| 191 | A | 42.3 | Very low | 35.4 | Very low | 105 Ų | 105 | 160.5 Ų | 160.5 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -82.2 | 130 | 170 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 192 | K | 35.5 | Very low | 35.4 | Very low | 167 Ų | 167 | 155.8 Ų | 155.8 | 73% | 0.726 | 81% | 0.808 | S | S | * | * | trans | -129.1 | 103.5 | 169.5 | -77.4 | 171.7 | -174.7 | 131.7 | 0 | 112.7 | E190 | E190-K192 IonicContact OE2-NZ 2.65Å; E190-K192 PolarHBondContact OE2-NZ 2.92Å | ||
| 193 | R | 33 | Very low | 35.7 | Very low | 245 Ų | 245 | 152.3 Ų | 152.3 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | 32.8 | 118.4 | 141.7 | -66 | 175.1 | 174.9 | 148.2 | 0.4 | 118.5 | R195 | R193-R195 PolarHBondContact O-N 2.94Š| ||
| 194 | S | 37.6 | Very low | 35.7 | Very low | 117 Ų | 117 | 155.1 Ų | 155.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -41.2 | 133.5 | 151.6 | 169.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 195 | R | 32.8 | Very low | 34.6 | Very low | 236 Ų | 236 | 161.2 Ų | 161.2 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | trans | -161.9 | 109.3 | 148.1 | -105.7 | 172.7 | -154 | -157 | 4.2 | 110 | R193 | R193-R195 PolarHBondContact O-N 2.94Š| ||
| 196 | Y | 34.1 | Very low | 34.5 | Very low | 217 Ų | 217 | 158.2 Ų | 158.2 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 148.2 | 156.9 | -107.9 | -100.6 | 0 | 0 | 0 | 109.4 | ||
| 197 | P | 43 | Very low | 34.3 | Very low | 117 Ų | 117 | 158.5 Ų | 158.5 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 147.9 | 171.3 | -18.1 | 31.9 | 0 | 0 | 0 | 111.5 | ||
| 198 | K | 34.6 | Very low | 34.2 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 156.9 | 162.5 | -68 | -175.4 | 176.7 | -174.3 | 0 | 109.3 | ||
| 199 | Q | 35.5 | Very low | 33.8 | Very low | 194 Ų | 194 | 157.3 Ų | 157.3 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 148.9 | 157.3 | -71.2 | 176.9 | -22.9 | 0 | 0 | 109.3 | ||
| 200 | D | 31 | Very low | 33.6 | Very low | 160 Ų | 160 | 162.4 Ų | 162.4 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 162.2 | -164.8 | -67 | -63 | 0 | 0 | 0 | 115.2 | ||
| 201 | S | 34.8 | Very low | 34.2 | Very low | 125 Ų | 125 | 161 Ų | 161 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -123.8 | 101.8 | 172.3 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 202 | A | 30.9 | Very low | 34 | Very low | 110 Ų | 110 | 162.3 Ų | 162.3 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -163.4 | 143.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 203 | A | 34.1 | Very low | 34.3 | Very low | 99 Ų | 99 | 159.4 Ų | 159.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -112.2 | 153.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 204 | L | 33.7 | Very low | 34.3 | Very low | 147 Ų | 147 | 153.7 Ų | 153.7 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -160.4 | 126.6 | 155.1 | -103.2 | -172.9 | 0 | 0 | 0 | 112.3 | ||||
| 205 | R | 30.2 | Very low | 34 | Very low | 233 Ų | 233 | 157.1 Ų | 157.1 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | 66.3 | 140.1 | 166.5 | -47.7 | 173.4 | -165.4 | -95 | 0.2 | 116.2 | ||||
| 206 | G | 27.6 | Very low | 33.9 | Very low | 68 Ų | 68 | 150.4 Ų | 150.4 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | cis | 165 | 153.7 | -10.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 207 | H | 28.8 | Very low | 33.8 | Very low | 203 Ų | 203 | 146.9 Ų | 146.9 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | trans | 65.8 | 154.3 | 176.1 | -69.2 | -45.4 | 0 | 0 | 0 | 116.2 | ||||
| 208 | S | 30.7 | Very low | 33.3 | Very low | 80 Ų | 80 | 151.7 Ų | 151.7 | 56% | 0.559 | 80% | 0.799 | S | S | * | * | cis | -158.2 | 142.4 | -2 | 139.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 209 | R | 33 | Very low | 33.1 | Very low | 238 Ų | 238 | 145.8 Ų | 145.8 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | 69.1 | 117.3 | 154 | -68.9 | 168.1 | -153.7 | -117 | 1 | 120.9 | ||||
| 210 | Y | 30 | Very low | 33.1 | Very low | 199 Ų | 199 | 148.1 Ų | 148.1 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -59.6 | 171.6 | 145.6 | -96.7 | -95.8 | 0 | 0 | 0 | 112.3 | E212 | Y210-E212 HydrophobicContact CD1-CB 4.28Å; Y210-E212 HydrophobicContact CD1-CG 4.02Å; Y210-E212 HydrophobicContact CE1-CG 3.97Å | ||
| 211 | P | 44.6 | Very low | 33.4 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | -124 | 129.3 | 100 | 35.1 | -31.5 | 0 | 0 | 0 | 114.8 | |||||
| 212 | E | 38.6 | Very low | 33.6 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 62% | 0.621 | 79% | 0.785 | S | S | * | * | trans | -83.1 | 150 | 154.3 | -108.9 | -86 | 156.1 | 0 | 0 | 107.8 | Y210 | Y210-E212 HydrophobicContact CD1-CB 4.28Å; Y210-E212 HydrophobicContact CD1-CG 4.02Å; Y210-E212 HydrophobicContact CE1-CG 3.97Å | ||
| 213 | P | 42.5 | Very low | 33.7 | Very low | 107 Ų | 107 | 150.5 Ų | 150.5 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | -149.4 | 174.6 | 93.2 | 41.4 | -23.7 | 0 | 0 | 0 | 113.7 | |||||
| 214 | V | 31.7 | Very low | 33.6 | Very low | 125 Ų | 125 | 150 Ų | 150 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | cis | -153.4 | 173 | 3.6 | -123.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 215 | E | 31.4 | Very low | 34 | Very low | 189 Ų | 189 | 150.2 Ų | 150.2 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -71.5 | 152 | -179.5 | -46.9 | 165.8 | 130.3 | 0 | 0 | 117.1 | ||||
| 216 | A | 30.4 | Very low | 34.6 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -172.6 | 118.7 | 144.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 217 | E | 33.7 | Very low | 35 | Very low | 143 Ų | 143 | 150.7 Ų | 150.7 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | 65.2 | 115.6 | 80.8 | -95.5 | -91.5 | 121.4 | 0 | 0 | 117.2 | |||||
| 218 | R | 31.7 | Very low | 36.3 | Very low | 217 Ų | 217 | 147 Ų | 147 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | trans | 45.3 | 133.2 | 153.6 | -57.4 | 177.4 | -163.9 | -169.7 | 11.8 | 120.2 | ||||
| 219 | G | 31.1 | Very low | 36.6 | Very low | 68 Ų | 68 | 149.7 Ų | 149.7 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | 123.6 | 146.5 | 26.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 220 | R | 34.3 | Very low | 36.6 | Very low | 242 Ų | 242 | 145.7 Ų | 145.7 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | trans | 67.7 | 121.5 | 175.8 | -50.9 | 179.6 | -176.8 | -138 | -2.7 | 115.2 | ||||
| 221 | S | 38.1 | Very low | 37.1 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | 79.3 | 113.1 | 44.4 | 82.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 222 | K | 38.1 | Very low | 37 | Very low | 188 Ų | 188 | 145.5 Ų | 145.5 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | 171.5 | 138.5 | 133.1 | -97.2 | 174.2 | 178.8 | -170.6 | 0 | 115.7 | ||||
| 223 | L | 32.8 | Very low | 37.1 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | 69 | 117.3 | 139.3 | -65.1 | 166.9 | 0 | 0 | 0 | 123.9 | ||||
| 224 | A | 32.7 | Very low | 36.8 | Very low | 87 Ų | 87 | 145.6 Ų | 145.6 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | 75.1 | 119.6 | 124.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 225 | D | 42.1 | Very low | 36.9 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | 22.6 | 152.7 | 124 | -82 | -43.5 | 0 | 0 | 0 | 122.2 | |||||
| 226 | P | 43.7 | Very low | 37 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | cis | -140.5 | -178.6 | 33.5 | 42.4 | -23.6 | 0 | 0 | 0 | 118.6 | ||||
| 227 | Y | 35.2 | Very low | 37.1 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | -63.7 | 157.8 | 173.6 | -140.5 | -108.5 | 0 | 0 | 0 | 114.2 | E229 | Y227-E229 HydrophobicContact CD1-CB 4.02Å; Y227-E229 HydrophobicContact CD1-CG 4.34Å; Y227-E229 HydrophobicContact CE1-CB 4.04Å; Y227-E229 HydrophobicContact CE1-CG 3.95Å | ||
| 228 | P | 55.8 | Low | 37 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | -133.6 | 160.3 | 127.7 | 34.5 | -22.7 | 0 | 0 | 0 | 114 | |||||
| 229 | E | 37.7 | Very low | 37.2 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 64% | 0.64 | 79% | 0.788 | S | S | * | * | trans | -113.4 | 173.9 | -157.8 | -154.7 | -172.5 | 145.8 | 0 | 0 | 113.7 | Y227 | Y227-E229 HydrophobicContact CD1-CB 4.02Å; Y227-E229 HydrophobicContact CD1-CG 4.34Å; Y227-E229 HydrophobicContact CE1-CB 4.04Å; Y227-E229 HydrophobicContact CE1-CG 3.95Å | ||
| 230 | H | 33.6 | Very low | 37.6 | Very low | 154 Ų | 154 | 149 Ų | 149 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | 69.4 | 106.8 | 167.1 | -28.7 | -63.4 | 0 | 0 | 0 | 118.3 | ||||
| 231 | L | 38.7 | Very low | 37.5 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | -162.9 | 101.1 | 125.5 | -102.3 | -176.2 | 0 | 0 | 0 | 109.6 | |||||
| 232 | L | 43 | Very low | 37.2 | Very low | 150 Ų | 150 | 153.3 Ų | 153.3 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -110 | 157.6 | 163.9 | -70.4 | 177.5 | 0 | 0 | 0 | 108.8 | ||||
| 233 | P | 40.4 | Very low | 37.9 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | -133.6 | 140.7 | 102.8 | 36.1 | -28.1 | 0 | 0 | 0 | 114 | |||||
| 234 | S | 35.9 | Very low | 37.8 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -63 | 141.9 | 173.7 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 235 | R | 34.8 | Very low | 37.6 | Very low | 250 Ų | 250 | 156.4 Ų | 156.4 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | trans | -138.8 | 125.2 | 169.2 | -172 | 175.9 | -178.1 | 175.2 | 1.2 | 112.7 | ||||
| 236 | G | 33.1 | Very low | 37.3 | Very low | 62 Ų | 62 | 156.4 Ų | 156.4 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | trans | 73.1 | 87.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | H238 | G236-H238 PolarHBondContact O-N 3.48Š| ||
| 237 | K | 33.4 | Very low | 36.9 | Very low | 214 Ų | 214 | 155.4 Ų | 155.4 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -63.8 | 114.4 | 149.4 | -66.9 | 179.5 | -179.3 | 179.4 | 0 | 107.7 | G239 | K237-G239 PolarHBondContact O-N 3.43Š| ||
| 238 | H | 31.6 | Very low | 36.8 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | -79.7 | 105 | 162.9 | -98.5 | -97.5 | 0 | 0 | 0 | 108.4 | G236 | G236-H238 PolarHBondContact O-N 3.48Š| ||
| 239 | G | 36.1 | Very low | 35.5 | Very low | 70 Ų | 70 | 155.2 Ų | 155.2 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -90 | 96.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | K237 R241 | K237-G239 PolarHBondContact O-N 3.43Å; G239-R241 VanDerWaalsContact C-N 3.28Å; G239-R241 PolarHBondContact O-N 3.37Å | ||
| 240 | D | 38 | Very low | 35.4 | Very low | 139 Ų | 139 | 154.7 Ų | 154.7 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -71.7 | 88.7 | 174.3 | -73.1 | -23.6 | 0 | 0 | 0 | 109.4 | Y242 | D240-Y242 PolarHBondContact O-N 2.9Š| ||
| 241 | R | 33.3 | Very low | 35.2 | Very low | 232 Ų | 232 | 151.1 Ų | 151.1 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | -63.2 | 99.2 | 172.6 | 178.7 | -177.8 | -68.2 | -163.5 | -4.1 | 108.8 | G239 | G239-R241 VanDerWaalsContact C-N 3.28Å; G239-R241 PolarHBondContact O-N 3.37Å | ||
| 242 | Y | 31.5 | Very low | 34.8 | Very low | 205 Ų | 205 | 154.1 Ų | 154.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 130.6 | 162.5 | -103.9 | -101.3 | 0 | 0 | 0 | 109.5 | D240 | D240-Y242 PolarHBondContact O-N 2.9Š|
| 243 | P | 51.8 | Low | 34.2 | Very low | 114 Ų | 114 | 151.8 Ų | 151.8 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 129.9 | 159.6 | -14.8 | 30.3 | 0 | 0 | 0 | 108.8 | F245 | P243-F245 PolarHBondContact O-N 2.95Š|
| 244 | E | 30.6 | Very low | 33.8 | Very low | 191 Ų | 191 | 157.3 Ų | 157.3 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68 | 117.4 | 174 | -69.9 | 154 | 143.8 | 0 | 0 | 109.1 | ||
| 245 | F | 29.6 | Very low | 33.6 | Very low | 188 Ų | 188 | 159.3 Ų | 159.3 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -98.1 | 90.7 | 173.9 | -175.6 | -98 | 0 | 0 | 0 | 109.1 | P243 P247 | P243-F245 PolarHBondContact O-N 2.95Å; F245-P247 VanDerWaalsContact O-CD 3.26Å; F245-P247 WeakPolarHBondContact O-CD 3.22Å | ||
| 246 | E | 34.8 | Very low | 33.5 | Very low | 153 Ų | 153 | 155.6 Ų | 155.6 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | trans | -54.8 | 116.7 | 172 | -84.7 | -70.5 | 162.9 | 0 | 0 | 111.2 | S248 | E246-S248 VanDerWaalsContact C-N 3.28Å; E246-S248 PolarHBondContact O-N 3.18Å | ||
| 247 | P | 36.1 | Very low | 33.5 | Very low | 99 Ų | 99 | 156 Ų | 156 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | -76.8 | 76.3 | 178.5 | -12 | 29.3 | 0 | 0 | 0 | 111 | F245 Y249 | F245-P247 VanDerWaalsContact O-CD 3.26Å; F245-P247 WeakPolarHBondContact O-CD 3.22Å; P247-Y249 VanDerWaalsContact O-CD1 3.32Å; P247-Y249 WeakPolarHBondContact O-CD1 3.42Å; P247-Y249 PolarHBondContact O-N 3.06Å | ||
| 248 | S | 32.7 | Very low | 33.5 | Very low | 110 Ų | 110 | 155.4 Ų | 155.4 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -70.5 | 92.6 | 178 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | E246 T250 | E246-S248 VanDerWaalsContact C-N 3.28Å; E246-S248 PolarHBondContact O-N 3.18Å; S248-T250 PolarHBondContact O-N 3.1Å | ||
| 249 | Y | 29.3 | Very low | 33.6 | Very low | 203 Ų | 203 | 156.2 Ų | 156.2 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | -56.3 | 122.3 | 166.2 | 44.2 | -86.6 | 0 | 0 | 0 | 110.5 | P247 | P247-Y249 VanDerWaalsContact O-CD1 3.32Å; P247-Y249 WeakPolarHBondContact O-CD1 3.42Å; P247-Y249 PolarHBondContact O-N 3.06Å | ||
| 250 | T | 34.9 | Very low | 33.7 | Very low | 125 Ų | 125 | 161.9 Ų | 161.9 | 77% | 0.767 | 81% | 0.813 | S | S | * | * | trans | 173.1 | 112.3 | 138.6 | 25.2 | 0 | 0 | 0 | 0 | 109.5 | S248 | S248-T250 PolarHBondContact O-N 3.1Š| ||
| 251 | G | 29.8 | Very low | 33.5 | Very low | 80 Ų | 80 | 161.8 Ų | 161.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -69.8 | 131.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 252 | R | 29.6 | Very low | 33.6 | Very low | 236 Ų | 236 | 158.3 Ų | 158.3 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | trans | -132.9 | 113.1 | 153.5 | -72.5 | -163.7 | -175.3 | -143.7 | 2 | 109.5 | ||||
| 253 | A | 31.3 | Very low | 33.7 | Very low | 102 Ų | 102 | 151.6 Ų | 151.6 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -59.8 | 142.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 254 | R | 31.3 | Very low | 32.9 | Very low | 243 Ų | 243 | 153.2 Ų | 153.2 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -141 | 91.5 | 159.4 | -130 | 177.3 | -174.1 | 174.1 | 1.1 | 110.7 | ||||
| 255 | E | 31.3 | Very low | 33.2 | Very low | 156 Ų | 156 | 153 Ų | 153 | 73% | 0.729 | 82% | 0.818 | S | S | * | * | trans | -57.6 | 165.7 | 149.5 | -165.6 | -167.2 | -115.8 | 0 | 0 | 109.8 | ||||
| 256 | Q | 33.7 | Very low | 33.9 | Very low | 172 Ų | 172 | 156 Ų | 156 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | 71.3 | 150.4 | 175.8 | -50 | 165.8 | 25.9 | 0 | 0 | 113.4 | ||||
| 257 | G | 31.8 | Very low | 34 | Very low | 71 Ų | 71 | 160.4 Ų | 160.4 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | cis | 167.7 | 153.2 | 1 | 0 | 0 | 0 | 0 | 0 | 108.7 | M259 | G257-M259 PolarHBondContact O-N 3.25Š| ||
| 258 | Q | 34.2 | Very low | 34.3 | Very low | 200 Ų | 200 | 165.1 Ų | 165.1 | 94% | 0.935 | 84% | 0.844 | S | S | * | * | trans | -65.4 | 133.4 | -172.8 | -65 | 161.2 | -57 | 0 | 0 | 112.5 | ||||
| 259 | M | 33.4 | Very low | 34.7 | Very low | 192 Ų | 192 | 169 Ų | 169 | 95% | 0.946 | 85% | 0.85 | S | S | * | * | trans | -155.4 | 126.3 | 137.7 | -116.4 | 178.1 | -173.9 | 0 | 0 | 110.8 | G257 | G257-M259 PolarHBondContact O-N 3.25Š| ||
| 260 | E | 38.2 | Very low | 35.6 | Very low | 189 Ų | 189 | 168.8 Ų | 168.8 | 88% | 0.883 | 85% | 0.853 | S | S | * | * | trans | -97.8 | 139.3 | 167 | -58.8 | 177.6 | 121 | 0 | 0 | 108.9 | ||||
| 261 | V | 35 | Very low | 36.3 | Very low | 137 Ų | 137 | 168.9 Ų | 168.9 | 83% | 0.83 | 86% | 0.856 | S | S | * | * | trans | -152 | 150.4 | 140.8 | 176.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 262 | D | 35.3 | Very low | 37.2 | Very low | 159 Ų | 159 | 169.7 Ų | 169.7 | 85% | 0.85 | 86% | 0.855 | S | S | * | * | trans | -34.5 | 154.6 | 175.1 | -53.1 | -54 | 0 | 0 | 0 | 118.1 | ||||
| 263 | G | 32.6 | Very low | 38.1 | Very low | 64 Ų | 64 | 169.7 Ų | 169.7 | 66% | 0.66 | 86% | 0.855 | S | S | * | * | cis | 165.7 | -178.4 | -1.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 264 | V | 35.9 | Very low | 39.3 | Very low | 148 Ų | 148 | 169.9 Ų | 169.9 | 90% | 0.897 | 85% | 0.847 | S | S | * | * | trans | 59.1 | 86.9 | 167.1 | -163.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 265 | M | 36.1 | Very low | 40.6 | Very low | 187 Ų | 187 | 163.8 Ų | 163.8 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | -138.2 | 142.3 | 138 | -82.1 | -149.5 | -179.2 | 0 | 0 | 111.5 | R267 | M265-R267 PolarHBondContact O-N 3.29Š| ||
| 266 | R | 44.8 | Very low | 41.7 | Very low | 251 Ų | 251 | 161.7 Ų | 161.7 | 95% | 0.947 | 84% | 0.839 | S | S | * | * | trans | -64.5 | 110.7 | -174.8 | -83.1 | 176.1 | 152.5 | 148.3 | -6.8 | 112.1 | K268 | R266-K268 PolarHBondContact O-N 2.92Š| ||
| 267 | R | 36.3 | Very low | 42.1 | Very low | 245 Ų | 245 | 158.8 Ų | 158.8 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | trans | -73.3 | 115.5 | 161.7 | -66.8 | -174.3 | 179 | -170.6 | 1 | 109.3 | M265 | M265-R267 PolarHBondContact O-N 3.29Š| ||
| 268 | K | 43.7 | Very low | 42.9 | Very low | 198 Ų | 198 | 165 Ų | 165 | 86% | 0.861 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 125.2 | 154.4 | -78.3 | -174.4 | 174.3 | -177.8 | 0 | 107.3 | R266 | R266-K268 PolarHBondContact O-N 2.92Š|
| 269 | E | 40.7 | Very low | 43 | Very low | 191 Ų | 191 | 161.2 Ų | 161.2 | 89% | 0.893 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 137.6 | 171.3 | -68.1 | -178.9 | 108.5 | 0 | 0 | 110.4 | ||
| 270 | K | 47.5 | Very low | 43.5 | Very low | 198 Ų | 198 | 157.7 Ų | 157.7 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 131.7 | 159.5 | -69.3 | 179.9 | 178.6 | 177.7 | 0 | 106.5 | ||
| 271 | P | 49.6 | Very low | 44.2 | Very low | 127 Ų | 127 | 154.1 Ų | 154.1 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.2 | 177.5 | 26.1 | -34.2 | 0 | 0 | 0 | 110.6 | ||
| 272 | A | 49 | Very low | 45 | Very low | 98 Ų | 98 | 153.4 Ų | 153.4 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 140.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 273 | R | 48.8 | Very low | 45.7 | Very low | 236 Ų | 236 | 155.3 Ų | 155.3 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 127 | 173.9 | -171.7 | -175.8 | -171.2 | -176.6 | 3.9 | 108.7 | ||
| 274 | P | 55.7 | Low | 47 | Very low | 105 Ų | 105 | 156.4 Ų | 156.4 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 151.1 | 175.2 | 27.1 | -34.3 | 0 | 0 | 0 | 110.8 | ||
| 275 | P | 58.1 | Low | 48.2 | Very low | 115 Ų | 115 | 154.1 Ų | 154.1 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 150.1 | 176.8 | 27.5 | -34.8 | 0 | 0 | 0 | 111.2 | ||
| 276 | P | 55 | Low | 49.6 | Very low | 112 Ų | 112 | 149.6 Ų | 149.6 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 143.6 | 177.8 | 28.7 | -34.5 | 0 | 0 | 0 | 110.8 | ||
| 277 | P | 42.9 | Very low | 50.8 | Low | 112 Ų | 112 | 144.6 Ų | 144.6 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 139.2 | 178.4 | 28.7 | -34.5 | 0 | 0 | 0 | 111.3 | T279 | P277-T279 PolarHBondContact O-N 3.39Š|
| 278 | H | 47.2 | Very low | 52.4 | Low | 201 Ų | 201 | 138.2 Ų | 138.2 | 93% | 0.931 | 71% | 0.709 | S | S | * | * | trans | -69.8 | 87.5 | 171.2 | -79.2 | -89.8 | 0 | 0 | 0 | 110.9 | ||||
| 279 | T | 37.9 | Very low | 53.8 | Low | 120 Ų | 120 | 133.8 Ų | 133.8 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | trans | -76.8 | 141.9 | 163.1 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | P277 | P277-T279 PolarHBondContact O-N 3.39Š| ||
| 280 | T | 43.6 | Very low | 55.5 | Low | 119 Ų | 119 | 129.5 Ų | 129.5 | 73% | 0.73 | 67% | 0.673 | S | S | * | * | trans | -64.8 | 152.2 | -173 | 41.4 | 0 | 0 | 0 | 0 | 114.3 | E282 | T280-E282 PolarHBondContact O-N 2.86Š| ||
| 281 | V | 52.8 | Low | 56.8 | Low | 114 Ų | 114 | 128.4 Ų | 128.4 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 54.1 | -166.3 | -165.3 | 0 | 0 | 0 | 0 | 112.7 | K285 | V281-K285 VanDerWaalsContact O-CE 3.24Å; V281-K285 WeakPolarHBondContact O-CE 3.29Å |
| 282 | E | 51.4 | Low | 58 | Low | 121 Ų | 121 | 127.2 Ų | 127.2 | 57% | 0.565 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -41.5 | -177.6 | -65.6 | -92.6 | 89.1 | 0 | 0 | 111.5 | T280 D284 K285 | T280-E282 PolarHBondContact O-N 2.86Å; E282-D284 VanDerWaalsContact C-N 3.29Å; E282-D284 PolarHBondContact O-N 2.92Å; E282-K285 PolarHBondContact O-N 3.3Å; E282-K285 IonicContact OE1-NZ 3.66Å; E282-K285 PolarHBondContact OE1-NZ 2.86Å |
| 283 | R | 49.8 | Very low | 59.2 | Low | 200 Ų | 200 | 130.4 Ų | 130.4 | 76% | 0.755 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.2 | -24.2 | -171.6 | 175.1 | 168.5 | -81.7 | -175.2 | -5 | 114.9 | ||
| 284 | D | 59.4 | Low | 60.9 | Low | 87 Ų | 87 | 124.6 Ų | 124.6 | 47% | 0.465 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -90.5 | -19.1 | -175.6 | -62.4 | -54.9 | 0 | 0 | 0 | 113.6 | E282 D286 R287 E288 | E282-D284 VanDerWaalsContact C-N 3.29Å; E282-D284 PolarHBondContact O-N 2.92Å; D284-D286 VanDerWaalsContact C-N 3.3Å; D284-D286 PolarHBondContact O-N 3.39Å; D284-R287 PolarHBondContact O-N 2.84Å; D284-R287 IonicContact OD1-NH1 3.01Å; D284-R287 PolarHBondContact OD1-NH1 3.42Å; D284-E288 WeakPolarHBondContact O-CB 3.43Å; D284-E288 PolarHBondContact O-N 3.06Å |
| 285 | K | 61.7 | Low | 62 | Low | 100 Ų | 100 | 122.5 Ų | 122.5 | 44% | 0.435 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60 | -37.5 | 179.3 | -66.5 | 173.9 | -175.9 | 163.5 | 0 | 112.7 | V281 E282 K289 | V281-K285 VanDerWaalsContact O-CE 3.24Å; V281-K285 WeakPolarHBondContact O-CE 3.29Å; E282-K285 PolarHBondContact O-N 3.3Å; E282-K285 IonicContact OE1-NZ 3.66Å; E282-K285 PolarHBondContact OE1-NZ 2.86Å; K285-K289 VanDerWaalsContact O-CG 3.27Å; K285-K289 WeakPolarHBondContact O-CG 3.41Å; K285-K289 PolarHBondContact O-N 3.43Å; K285-K289 VanDerWaalsContact O-N 3.08Å |
| 286 | D | 64.9 | Low | 63 | Low | 91 Ų | 91 | 125 Ų | 125 | 49% | 0.487 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -78.9 | -36.5 | -179.3 | -63.8 | -36 | 0 | 0 | 0 | 111.9 | D284 E288 K289 D290 | D284-D286 VanDerWaalsContact C-N 3.3Å; D284-D286 PolarHBondContact O-N 3.39Å; D286-E288 VanDerWaalsContact C-N 3.26Å; D286-E288 PolarHBondContact O-N 3.31Å; D286-K289 PolarHBondContact O-N 3.32Å; D286-K289 IonicContact OD1-NZ 3.18Å; D286-K289 PolarHBondContact OD1-NZ 2.96Å; D286-D290 PolarHBondContact O-N 2.89Å |
| 287 | R | 69.8 | Low | 64.3 | Low | 146 Ų | 146 | 124.8 Ų | 124.8 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.2 | -35.7 | 170 | -71.3 | 170.5 | 159.9 | -179 | -9.1 | 112.4 | D284 R291 | D284-R287 PolarHBondContact O-N 2.84Å; D284-R287 IonicContact OD1-NH1 3.01Å; D284-R287 PolarHBondContact OD1-NH1 3.42Å; R287-R291 WeakPolarHBondContact O-CG 3.46Å; R287-R291 PolarHBondContact O-N 3.05Å; R287-R291 VanDerWaalsContact O-N 3.12Å |
| 288 | E | 71.3 | Confident | 66.3 | Low | 112 Ų | 112 | 125.6 Ų | 125.6 | 52% | 0.523 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.5 | -42.6 | 175.6 | -171.1 | 173 | -159.2 | 0 | 0 | 111.8 | D284 D286 D290 R291 Q292 | D284-E288 WeakPolarHBondContact O-CB 3.43Å; D284-E288 PolarHBondContact O-N 3.06Å; D286-E288 VanDerWaalsContact C-N 3.26Å; D286-E288 PolarHBondContact O-N 3.31Å; E288-D290 VanDerWaalsContact C-N 3.34Å; E288-D290 PolarHBondContact O-N 2.98Å; E288-R291 PolarHBondContact O-N 3.28Å; E288-Q292 WeakPolarHBondContact O-CG 3.47Å; E288-Q292 PolarHBondContact O-N 2.87Å |
| 289 | K | 72.3 | Confident | 68 | Low | 105 Ų | 105 | 120.9 Ų | 120.9 | 46% | 0.457 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59 | -43 | 171.4 | -69.2 | 165.3 | -157.1 | 164.4 | 0 | 112.1 | K285 D286 Q292 R293 | K285-K289 VanDerWaalsContact O-CG 3.27Å; K285-K289 WeakPolarHBondContact O-CG 3.41Å; K285-K289 PolarHBondContact O-N 3.43Å; K285-K289 VanDerWaalsContact O-N 3.08Å; D286-K289 PolarHBondContact O-N 3.32Å; D286-K289 IonicContact OD1-NZ 3.18Å; D286-K289 PolarHBondContact OD1-NZ 2.96Å; K289-Q292 PolarHBondContact O-N 2.75Å; K289-R293 WeakPolarHBondContact O-CG 3.41Å; K289-R293 PolarHBondContact O-N 2.85Å |
| 290 | D | 77 | Confident | 70.1 | Confident | 101 Ų | 101 | 122.2 Ų | 122.2 | 54% | 0.54 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68 | -36.1 | -179.1 | -73.2 | -16.6 | 0 | 0 | 0 | 112.2 | D286 E288 R293 H294 | D286-D290 PolarHBondContact O-N 2.89Å; E288-D290 VanDerWaalsContact C-N 3.34Å; E288-D290 PolarHBondContact O-N 2.98Å; D290-R293 PolarHBondContact O-N 3.07Å; D290-H294 WeakPolarHBondContact O-CB 3.37Å; D290-H294 PolarHBondContact O-N 2.87Å |
| 291 | R | 73.9 | Confident | 72.1 | Confident | 175 Ų | 175 | 124.3 Ų | 124.3 | 66% | 0.66 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.1 | -52.3 | 167.9 | -72 | 168.5 | -179.8 | 174.2 | -1.1 | 111.2 | R287 E288 R293 H294 D295 | R287-R291 WeakPolarHBondContact O-CG 3.46Å; R287-R291 PolarHBondContact O-N 3.05Å; R287-R291 VanDerWaalsContact O-N 3.12Å; E288-R291 PolarHBondContact O-N 3.28Å; R291-R293 PolarHBondContact O-N 2.93Å; R291-H294 PolarHBondContact O-N 3.33Å; R291-H294 VanDerWaalsContact O-N 3.08Å; R291-D295 WeakPolarHBondContact O-CB 3.4Å; R291-D295 PolarHBondContact O-N 2.82Å |
| 292 | Q | 75.1 | Confident | 73.4 | Confident | 101 Ų | 101 | 122.5 Ų | 122.5 | 47% | 0.472 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.6 | -27.4 | 178.6 | -70.7 | 179.1 | 18.2 | 0 | 0 | 113.6 | E288 K289 R296 | E288-Q292 WeakPolarHBondContact O-CG 3.47Å; E288-Q292 PolarHBondContact O-N 2.87Å; K289-Q292 PolarHBondContact O-N 2.75Å; Q292-R296 VanDerWaalsContact O-CB 3.25Å; Q292-R296 WeakPolarHBondContact O-CB 3.41Å; Q292-R296 PolarHBondContact O-N 2.9Å |
| 293 | R | 75 | Confident | 75 | Confident | 166 Ų | 166 | 122.6 Ų | 122.6 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -70.9 | -54.6 | 169.5 | -75.1 | 174.5 | 176.6 | -76.5 | 1.4 | 111.1 | K289 D290 R291 D295 R296 D297 | K289-R293 WeakPolarHBondContact O-CG 3.41Å; K289-R293 PolarHBondContact O-N 2.85Å; D290-R293 PolarHBondContact O-N 3.07Å; R291-R293 PolarHBondContact O-N 2.93Å; R293-D295 VanDerWaalsContact C-N 3.31Å; R293-D295 PolarHBondContact O-N 2.58Å; R293-R296 PolarHBondContact O-N 2.96Å; R293-R296 VanDerWaalsContact O-N 3.16Å; R293-D297 PolarHBondContact O-N 3.07Å |
| 294 | H | 83.2 | Confident | 76.6 | Confident | 113 Ų | 113 | 120.7 Ų | 120.7 | 52% | 0.523 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | -178.6 | 177.5 | -82.1 | 0 | 0 | 0 | 112.8 | D290 R291 D297 R298 | D290-H294 WeakPolarHBondContact O-CB 3.37Å; D290-H294 PolarHBondContact O-N 2.87Å; R291-H294 PolarHBondContact O-N 3.33Å; R291-H294 VanDerWaalsContact O-N 3.08Å; H294-D297 PolarHBondContact O-N 2.98Å; H294-R298 PolarHBondContact CE1-NH2 3.35Å; H294-R298 PolarHBondContact O-N 2.65Å |
| 295 | D | 78.7 | Confident | 78 | Confident | 61 Ų | 61 | 125.8 Ų | 125.8 | 33% | 0.326 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 177.6 | -63.1 | -35.4 | 0 | 0 | 0 | 111 | R291 R293 D297 R298 D299 | R291-D295 WeakPolarHBondContact O-CB 3.4Å; R291-D295 PolarHBondContact O-N 2.82Å; R293-D295 VanDerWaalsContact C-N 3.31Å; R293-D295 PolarHBondContact O-N 2.58Å; D295-D297 VanDerWaalsContact C-N 3.35Å; D295-D297 PolarHBondContact O-N 3.17Å; D295-R298 WeakPolarHBondContact O-CA 3.09Å; D295-R298 WeakPolarHBondContact O-CB 3.11Å; D295-R298 PolarHBondContact O-N 2.94Å; D295-R298 VanDerWaalsContact O-N 3.14Å; D295-R298 IonicContact OD1-CZ 3.47Å; D295-R298 IonicContact OD1-NH1 2.75Å; D295-R298 PolarHBondContact OD1-NH1 3.39Å; D295-R298 IonicContact OD1-NH2 2.66Å; D295-D299 VanDerWaalsContact O-CG 3.23Å; D295-D299 PolarHBondContact O-N 3.42Å |
| 296 | R | 79.6 | Confident | 79.1 | Confident | 168 Ų | 168 | 126.8 Ų | 126.8 | 63% | 0.634 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.1 | -35 | 173.4 | -167.6 | -177.4 | -53.6 | -172.5 | 2.5 | 113.2 | Q292 R293 D299 Y300 | Q292-R296 VanDerWaalsContact O-CB 3.25Å; Q292-R296 WeakPolarHBondContact O-CB 3.41Å; Q292-R296 PolarHBondContact O-N 2.9Å; R293-R296 PolarHBondContact O-N 2.96Å; R293-R296 VanDerWaalsContact O-N 3.16Å; R296-D299 PolarHBondContact O-N 3.14Å; R296-Y300 WeakPolarHBondContact O-CB 3.38Å; R296-Y300 PolarHBondContact O-N 3.41Å |
| 297 | D | 82.4 | Confident | 80 | Confident | 108 Ų | 108 | 126.7 Ų | 126.7 | 58% | 0.578 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.1 | -33.8 | 173.4 | -71.4 | -25.5 | 0 | 0 | 0 | 111.4 | R293 H294 D295 K301 | R293-D297 PolarHBondContact O-N 3.07Å; H294-D297 PolarHBondContact O-N 2.98Å; D295-D297 VanDerWaalsContact C-N 3.35Å; D295-D297 PolarHBondContact O-N 3.17Å; D297-K301 WeakPolarHBondContact O-CB 3.14Å; D297-K301 PolarHBondContact O-N 2.85Å |
| 298 | R | 85.3 | Confident | 80.8 | Confident | 129 Ų | 129 | 125.8 Ų | 125.8 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.2 | -45.9 | 169.6 | -173.3 | -164.9 | -69.3 | 119.1 | -1.4 | 110.7 | H294 D295 K301 T302 | H294-R298 PolarHBondContact CE1-NH2 3.35Å; H294-R298 PolarHBondContact O-N 2.65Å; D295-R298 WeakPolarHBondContact O-CA 3.09Å; D295-R298 WeakPolarHBondContact O-CB 3.11Å; D295-R298 PolarHBondContact O-N 2.94Å; D295-R298 VanDerWaalsContact O-N 3.14Å; D295-R298 IonicContact OD1-CZ 3.47Å; D295-R298 IonicContact OD1-NH1 2.75Å; D295-R298 PolarHBondContact OD1-NH1 3.39Å; D295-R298 IonicContact OD1-NH2 2.66Å; R298-K301 PolarHBondContact O-N 3.01Å; R298-T302 WeakPolarHBondContact O-CB 3.04Å; R298-T302 PolarHBondContact O-N 2.91Å; R298-T302 PolarHBondContact O-OG1 3.21Å |
| 299 | D | 83.6 | Confident | 81.5 | Confident | 101 Ų | 101 | 128.1 Ų | 128.1 | 54% | 0.54 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.5 | -50.9 | 180 | -64.9 | -21.2 | 0 | 0 | 0 | 110.8 | D295 R296 K301 T302 E303 | D295-D299 VanDerWaalsContact O-CG 3.23Å; D295-D299 PolarHBondContact O-N 3.42Å; R296-D299 PolarHBondContact O-N 3.14Å; D299-K301 VanDerWaalsContact C-N 3.3Å; D299-K301 PolarHBondContact O-N 2.74Å; D299-T302 CarbonylContact O-C 3.57Å; D299-T302 WeakPolarHBondContact O-CA 3.5Å; D299-T302 WeakPolarHBondContact O-CB 3.41Å; D299-T302 PolarHBondContact O-N 3.35Å; D299-E303 WeakPolarHBondContact O-CB 3.44Å; D299-E303 PolarHBondContact O-N 2.98Å |
| 300 | Y | 81.3 | Confident | 81.9 | Confident | 149 Ų | 149 | 127 Ų | 127 | 58% | 0.584 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.6 | -37 | 177 | -177.7 | -111.7 | 0 | 0 | 0 | 112.8 | R296 T302 R304 | R296-Y300 WeakPolarHBondContact O-CB 3.38Å; R296-Y300 PolarHBondContact O-N 3.41Å; Y300-T302 VanDerWaalsContact C-N 3.31Å; Y300-T302 PolarHBondContact O-N 3.48Å; Y300-R304 VanDerWaalsContact O-CB 3.24Å; Y300-R304 WeakPolarHBondContact O-CB 3.33Å; Y300-R304 PolarHBondContact O-N 2.93Å |
| 301 | K | 84.9 | Confident | 82.1 | Confident | 162 Ų | 162 | 129 Ų | 129 | 70% | 0.704 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.1 | -30.9 | 173.9 | -171.8 | 176.7 | -177.5 | -179.1 | 0 | 112.4 | D297 R298 D299 R305 | D297-K301 WeakPolarHBondContact O-CB 3.14Å; D297-K301 PolarHBondContact O-N 2.85Å; R298-K301 PolarHBondContact O-N 3.01Å; D299-K301 VanDerWaalsContact C-N 3.3Å; D299-K301 PolarHBondContact O-N 2.74Å; K301-R305 PolarHBondContact O-N 2.74Å |
| 302 | T | 80.8 | Confident | 82.6 | Confident | 76 Ų | 76 | 125 Ų | 125 | 47% | 0.466 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -76.5 | -46.7 | 177 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | R298 D299 Y300 R304 R305 M306 | R298-T302 WeakPolarHBondContact O-CB 3.04Å; R298-T302 PolarHBondContact O-N 2.91Å; R298-T302 PolarHBondContact O-OG1 3.21Å; D299-T302 CarbonylContact O-C 3.57Å; D299-T302 WeakPolarHBondContact O-CA 3.5Å; D299-T302 WeakPolarHBondContact O-CB 3.41Å; D299-T302 PolarHBondContact O-N 3.35Å; Y300-T302 VanDerWaalsContact C-N 3.31Å; Y300-T302 PolarHBondContact O-N 3.48Å; T302-R304 PolarHBondContact O-N 3.46Å; T302-R305 WeakPolarHBondContact O-CB 3.22Å; T302-R305 PolarHBondContact O-N 2.87Å; T302-R305 VanDerWaalsContact O-N 3.09Å; T302-M306 WeakPolarHBondContact O-CG 3.42Å; T302-M306 PolarHBondContact O-N 2.93Å |
| 303 | E | 85.1 | Confident | 83.1 | Confident | 123 Ų | 123 | 127.1 Ų | 127.1 | 58% | 0.575 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -56.6 | -47.6 | 173.7 | -176 | 173.3 | -135.3 | 0 | 0 | 111.2 | D299 R305 M306 E307 | D299-E303 WeakPolarHBondContact O-CB 3.44Å; D299-E303 PolarHBondContact O-N 2.98Å; E303-R305 VanDerWaalsContact C-N 3.29Å; E303-R305 PolarHBondContact O-N 3.02Å; E303-M306 CarbonylContact O-C 3.56Å; E303-M306 WeakPolarHBondContact O-CB 3.49Å; E303-M306 PolarHBondContact O-N 3.28Å; E303-M306 VanDerWaalsContact O-N 3.07Å; E303-E307 PolarHBondContact O-N 3.48Å |
| 304 | R | 84.3 | Confident | 83.4 | Confident | 161 Ų | 161 | 123.7 Ų | 123.7 | 61% | 0.608 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.6 | -35.4 | 174.6 | -176.6 | 175.3 | 174.4 | -179.6 | -0.4 | 113.4 | Y300 T302 E308 | Y300-R304 VanDerWaalsContact O-CB 3.24Å; Y300-R304 WeakPolarHBondContact O-CB 3.33Å; Y300-R304 PolarHBondContact O-N 2.93Å; T302-R304 PolarHBondContact O-N 3.46Å; R304-E308 WeakPolarHBondContact O-CB 3.36Å; R304-E308 PolarHBondContact O-N 3.25Å |
| 305 | R | 86.9 | Confident | 83 | Confident | 194 Ų | 194 | 123.8 Ų | 123.8 | 73% | 0.732 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.4 | -35.8 | 175.4 | -168.4 | -177.2 | -175.7 | -156.5 | 0.8 | 111.4 | K301 T302 E303 E308 Y309 | K301-R305 PolarHBondContact O-N 2.74Å; T302-R305 WeakPolarHBondContact O-CB 3.22Å; T302-R305 PolarHBondContact O-N 2.87Å; T302-R305 VanDerWaalsContact O-N 3.09Å; E303-R305 VanDerWaalsContact C-N 3.29Å; E303-R305 PolarHBondContact O-N 3.02Å; R305-E308 PolarHBondContact O-N 3.39Å; R305-Y309 WeakPolarHBondContact O-CB 3.23Å; R305-Y309 PolarHBondContact O-N 3.07Å |
| 306 | M | 85 | Confident | 83.1 | Confident | 121 Ų | 121 | 124.3 Ų | 124.3 | 60% | 0.596 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.1 | -39.1 | 174.2 | -66.9 | -67 | -77.1 | 0 | 0 | 111.9 | T302 E303 Y309 T310 | T302-M306 WeakPolarHBondContact O-CG 3.42Å; T302-M306 PolarHBondContact O-N 2.93Å; E303-M306 CarbonylContact O-C 3.56Å; E303-M306 WeakPolarHBondContact O-CB 3.49Å; E303-M306 PolarHBondContact O-N 3.28Å; E303-M306 VanDerWaalsContact O-N 3.07Å; M306-Y309 PolarHBondContact O-N 3.42Å; M306-T310 WeakPolarHBondContact O-CB 3.28Å; M306-T310 WeakPolarHBondContact O-CG2 3.48Å; M306-T310 PolarHBondContact O-N 3.3Å; M306-T310 PolarHBondContact O-OG1 2.97Å |
| 307 | E | 85.3 | Confident | 83.1 | Confident | 88 Ų | 88 | 118 Ų | 118 | 41% | 0.411 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 169.1 | -75.1 | -157.1 | 152.7 | 0 | 0 | 111.9 | E303 T310 R311 | E303-E307 PolarHBondContact O-N 3.48Å; E307-T310 WeakPolarHBondContact CA-OG1 3.35Å; E307-T310 PolarHBondContact O-N 3.08Å; E307-T310 PolarHBondContact O-OG1 2.7Å; E307-R311 VanDerWaalsContact O-CB 3.3Å; E307-R311 WeakPolarHBondContact O-CB 3.35Å; E307-R311 WeakPolarHBondContact O-CD 3.27Å; E307-R311 WeakPolarHBondContact O-CG 3.23Å; E307-R311 PolarHBondContact O-N 3.27Å; E307-R311 IonicContact OE1-NH2 3.32Å; E307-R311 IonicContact OE2-CZ 3.15Å; E307-R311 IonicContact OE2-NE 2.7Å; E307-R311 IonicContact OE2-NH2 2.79Å; E307-R311 PolarHBondContact OE2-NH2 3.14Å |
| 308 | E | 86.2 | Confident | 82.8 | Confident | 127 Ų | 127 | 119.2 Ų | 119.2 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.3 | -46 | 179.1 | -173.2 | 162.9 | -147.6 | 0 | 0 | 111.4 | R304 R305 T310 R311 V312 | R304-E308 WeakPolarHBondContact O-CB 3.36Å; R304-E308 PolarHBondContact O-N 3.25Å; R305-E308 PolarHBondContact O-N 3.39Å; E308-T310 PolarHBondContact O-N 3.45Å; E308-R311 PolarHBondContact O-N 2.96Å; E308-V312 WeakPolarHBondContact O-CG2 3.39Å; E308-V312 PolarHBondContact O-N 3.28Å |
| 309 | Y | 85 | Confident | 82.3 | Confident | 162 Ų | 162 | 118.7 Ų | 118.7 | 64% | 0.635 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 176.7 | -171.8 | -93.1 | 0 | 0 | 0 | 112.4 | R305 M306 V312 K313 | R305-Y309 WeakPolarHBondContact O-CB 3.23Å; R305-Y309 PolarHBondContact O-N 3.07Å; M306-Y309 PolarHBondContact O-N 3.42Å; Y309-V312 PolarHBondContact O-N 2.67Å; Y309-K313 WeakPolarHBondContact O-CB 3.37Å; Y309-K313 PolarHBondContact O-N 2.75Å |
| 310 | T | 82.3 | Confident | 81.8 | Confident | 80 Ų | 80 | 121 Ų | 121 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 177 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | M306 E307 E308 K313 E314 | M306-T310 WeakPolarHBondContact O-CB 3.28Å; M306-T310 WeakPolarHBondContact O-CG2 3.48Å; M306-T310 PolarHBondContact O-N 3.3Å; M306-T310 PolarHBondContact O-OG1 2.97Å; E307-T310 WeakPolarHBondContact CA-OG1 3.35Å; E307-T310 PolarHBondContact O-N 3.08Å; E307-T310 PolarHBondContact O-OG1 2.7Å; E308-T310 PolarHBondContact O-N 3.45Å; T310-K313 PolarHBondContact O-N 3.3Å; T310-E314 WeakPolarHBondContact O-CB 3.45Å; T310-E314 PolarHBondContact O-N 3.48Å |
| 311 | R | 81.3 | Confident | 81.6 | Confident | 145 Ų | 145 | 121.4 Ų | 121.4 | 55% | 0.547 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 173.3 | -72.5 | 165.1 | -170.4 | -165.7 | 6 | 112.1 | E307 E308 E314 Q315 | E307-R311 VanDerWaalsContact O-CB 3.3Å; E307-R311 WeakPolarHBondContact O-CB 3.35Å; E307-R311 WeakPolarHBondContact O-CD 3.27Å; E307-R311 WeakPolarHBondContact O-CG 3.23Å; E307-R311 PolarHBondContact O-N 3.27Å; E307-R311 IonicContact OE1-NH2 3.32Å; E307-R311 IonicContact OE2-CZ 3.15Å; E307-R311 IonicContact OE2-NE 2.7Å; E307-R311 IonicContact OE2-NH2 2.79Å; E307-R311 PolarHBondContact OE2-NH2 3.14Å; E308-R311 PolarHBondContact O-N 2.96Å; R311-E314 PolarHBondContact O-N 2.91Å; R311-Q315 WeakPolarHBondContact O-CG 3.49Å; R311-Q315 PolarHBondContact O-N 2.79Å |
| 312 | V | 84.4 | Confident | 80.9 | Confident | 91 Ų | 91 | 120 Ų | 120 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.1 | -45.3 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 111 | E308 Y309 E314 Q315 D316 | E308-V312 WeakPolarHBondContact O-CG2 3.39Å; E308-V312 PolarHBondContact O-N 3.28Å; Y309-V312 PolarHBondContact O-N 2.67Å; V312-E314 VanDerWaalsContact C-N 3.3Å; V312-E314 PolarHBondContact O-N 3.17Å; V312-Q315 PolarHBondContact O-N 2.9Å; V312-Q315 VanDerWaalsContact O-N 3.14Å; V312-D316 PolarHBondContact O-N 2.89Å |
| 313 | K | 85.2 | Confident | 80.4 | Confident | 145 Ų | 145 | 124.5 Ų | 124.5 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.9 | -37.9 | 175.5 | -171.6 | 171.7 | -178.3 | 173.9 | 0 | 112.2 | Y309 T310 A317 | Y309-K313 WeakPolarHBondContact O-CB 3.37Å; Y309-K313 PolarHBondContact O-N 2.75Å; T310-K313 PolarHBondContact O-N 3.3Å; K313-A317 WeakPolarHBondContact O-CB 3.33Å; K313-A317 PolarHBondContact O-N 2.97Å; K313-A317 VanDerWaalsContact O-N 3.08Å |
| 314 | E | 80.3 | Confident | 79.6 | Confident | 93 Ų | 93 | 123.2 Ų | 123.2 | 44% | 0.435 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71 | -34.8 | 174.9 | -145.3 | -144.9 | 148.4 | 0 | 0 | 112.4 | T310 R311 V312 A317 R318 | T310-E314 WeakPolarHBondContact O-CB 3.45Å; T310-E314 PolarHBondContact O-N 3.48Å; R311-E314 PolarHBondContact O-N 2.91Å; V312-E314 VanDerWaalsContact C-N 3.3Å; V312-E314 PolarHBondContact O-N 3.17Å; E314-A317 PolarHBondContact O-N 2.9Å; E314-R318 VanDerWaalsContact CD-NE 3.34Å; E314-R318 WeakPolarHBondContact O-CB 3.48Å; E314-R318 WeakPolarHBondContact O-CG 3.25Å; E314-R318 PolarHBondContact O-N 3.36Å; E314-R318 IonicContact OE1-CZ 3.37Å; E314-R318 IonicContact OE1-NE 3.85Å; E314-R318 PolarHBondContact OE1-NE 3Å; E314-R318 IonicContact OE1-NH2 3.3Å; E314-R318 PolarHBondContact OE1-NH2 3.17Å; E314-R318 IonicContact OE2-CZ 2.71Å; E314-R318 IonicContact OE2-NE 3.77Å; E314-R318 IonicContact OE2-NH2 3.74Å; E314-R318 PolarHBondContact OE2-NH2 3.15Å |
| 315 | Q | 74.8 | Confident | 79 | Confident | 115 Ų | 115 | 122.3 Ų | 122.3 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 174.1 | -76.8 | -175.8 | 18.2 | 0 | 0 | 112.5 | R311 V312 R318 Q319 | R311-Q315 WeakPolarHBondContact O-CG 3.49Å; R311-Q315 PolarHBondContact O-N 2.79Å; V312-Q315 PolarHBondContact O-N 2.9Å; V312-Q315 VanDerWaalsContact O-N 3.14Å; Q315-R318 PolarHBondContact O-N 3.44Å; Q315-Q319 WeakPolarHBondContact O-CB 3.24Å; Q315-Q319 WeakPolarHBondContact O-CG 3.41Å; Q315-Q319 PolarHBondContact O-N 3.44Å |
| 316 | D | 81.7 | Confident | 77.7 | Confident | 72 Ų | 72 | 116.7 Ų | 116.7 | 39% | 0.385 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 173 | -174.7 | 52.1 | 0 | 0 | 0 | 110.9 | V312 R318 Q319 R320 | V312-D316 PolarHBondContact O-N 2.89Å; D316-R318 VanDerWaalsContact C-N 3.29Å; D316-R318 PolarHBondContact O-N 3.31Å; D316-Q319 PolarHBondContact O-N 2.81Å; D316-R320 WeakPolarHBondContact O-CB 3.23Å; D316-R320 WeakPolarHBondContact O-CG 3.43Å; D316-R320 PolarHBondContact O-N 2.84Å; D316-R320 IonicContact OD1-NE 2.63Å; D316-R320 IonicContact OD2-CZ 3.92Å; D316-R320 IonicContact OD2-NE 3.7Å; D316-R320 PolarHBondContact OD2-NE 3.18Å; D316-R320 IonicContact OD2-NH2 3.15Å; D316-R320 PolarHBondContact OD2-NH2 3.24Å |
| 317 | A | 78.7 | Confident | 76.6 | Confident | 35 Ų | 35 | 119.4 Ų | 119.4 | 29% | 0.289 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -35.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K313 E314 R321 | K313-A317 WeakPolarHBondContact O-CB 3.33Å; K313-A317 PolarHBondContact O-N 2.97Å; K313-A317 VanDerWaalsContact O-N 3.08Å; E314-A317 PolarHBondContact O-N 2.9Å; A317-R321 WeakPolarHBondContact O-CD 3.2Å; A317-R321 VanDerWaalsContact O-CG 3.24Å; A317-R321 WeakPolarHBondContact O-CG 3.41Å; A317-R321 PolarHBondContact O-N 3.25Å |
| 318 | R | 75.9 | Confident | 75 | Confident | 134 Ų | 134 | 121.5 Ų | 121.5 | 51% | 0.506 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.7 | -46.7 | 172.7 | -72.9 | 169.1 | -177.6 | -156.6 | 11.7 | 111.5 | E314 Q315 D316 R320 R321 E322 | E314-R318 VanDerWaalsContact CD-NE 3.34Å; E314-R318 WeakPolarHBondContact O-CB 3.48Å; E314-R318 WeakPolarHBondContact O-CG 3.25Å; E314-R318 PolarHBondContact O-N 3.36Å; E314-R318 IonicContact OE1-CZ 3.37Å; E314-R318 IonicContact OE1-NE 3.85Å; E314-R318 PolarHBondContact OE1-NE 3Å; E314-R318 IonicContact OE1-NH2 3.3Å; E314-R318 PolarHBondContact OE1-NH2 3.17Å; E314-R318 IonicContact OE2-CZ 2.71Å; E314-R318 IonicContact OE2-NE 3.77Å; E314-R318 IonicContact OE2-NH2 3.74Å; E314-R318 PolarHBondContact OE2-NH2 3.15Å; Q315-R318 PolarHBondContact O-N 3.44Å; D316-R318 VanDerWaalsContact C-N 3.29Å; D316-R318 PolarHBondContact O-N 3.31Å; R318-R320 PolarHBondContact O-N 2.74Å; R318-R321 PolarHBondContact O-N 2.95Å; R318-E322 PolarHBondContact O-N 3.01Å |
| 319 | Q | 75.8 | Confident | 73.2 | Confident | 119 Ų | 119 | 125.1 Ų | 125.1 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.2 | -39.6 | 177.8 | -73.6 | 179.1 | 55.2 | 0 | 0 | 112.4 | Q315 D316 E322 R323 | Q315-Q319 WeakPolarHBondContact O-CB 3.24Å; Q315-Q319 WeakPolarHBondContact O-CG 3.41Å; Q315-Q319 PolarHBondContact O-N 3.44Å; D316-Q319 PolarHBondContact O-N 2.81Å; Q319-E322 PolarHBondContact O-N 3.3Å; Q319-R323 WeakPolarHBondContact O-CB 3.41Å; Q319-R323 PolarHBondContact O-N 2.82Å |
| 320 | R | 73.8 | Confident | 71.4 | Confident | 148 Ų | 148 | 124.6 Ų | 124.6 | 56% | 0.558 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.5 | -50.8 | 171.9 | -72.9 | 179.2 | -170.7 | -122.3 | 1.5 | 111.7 | D316 R318 E322 R323 E324 | D316-R320 WeakPolarHBondContact O-CB 3.23Å; D316-R320 WeakPolarHBondContact O-CG 3.43Å; D316-R320 PolarHBondContact O-N 2.84Å; D316-R320 IonicContact OD1-NE 2.63Å; D316-R320 IonicContact OD2-CZ 3.92Å; D316-R320 IonicContact OD2-NE 3.7Å; D316-R320 PolarHBondContact OD2-NE 3.18Å; D316-R320 IonicContact OD2-NH2 3.15Å; D316-R320 PolarHBondContact OD2-NH2 3.24Å; R318-R320 PolarHBondContact O-N 2.74Å; R320-E322 VanDerWaalsContact C-N 3.29Å; R320-E322 PolarHBondContact O-N 3.45Å; R320-R323 CarbonylContact O-C 3.6Å; R320-R323 WeakPolarHBondContact O-CA 3.38Å; R320-R323 WeakPolarHBondContact O-CB 3.48Å; R320-R323 PolarHBondContact O-N 3.36Å; R320-E324 WeakPolarHBondContact O-CG 3.25Å; R320-E324 PolarHBondContact O-N 3.42Å |
| 321 | R | 75.2 | Confident | 69.6 | Low | 158 Ų | 158 | 126.5 Ų | 126.5 | 60% | 0.596 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.1 | -32 | 178 | -72.4 | 168.5 | 176.9 | 172.8 | -0.3 | 113.5 | A317 R318 E324 K325 | A317-R321 WeakPolarHBondContact O-CD 3.2Å; A317-R321 VanDerWaalsContact O-CG 3.24Å; A317-R321 WeakPolarHBondContact O-CG 3.41Å; A317-R321 PolarHBondContact O-N 3.25Å; R318-R321 PolarHBondContact O-N 2.95Å; R321-E324 WeakPolarHBondContact CA-OE2 3.41Å; R321-K325 WeakPolarHBondContact O-CB 3.3Å; R321-K325 WeakPolarHBondContact O-CD 3.14Å; R321-K325 VanDerWaalsContact O-CG 3.25Å; R321-K325 WeakPolarHBondContact O-CG 3.49Å; R321-K325 PolarHBondContact O-N 3.18Å; R321-K325 VanDerWaalsContact O-N 3.12Å |
| 322 | E | 70.8 | Confident | 67.5 | Low | 133 Ų | 133 | 124.9 Ų | 124.9 | 62% | 0.621 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.9 | -38.6 | 172.6 | -73.2 | -178.6 | 172.8 | 0 | 0 | 111.8 | R318 Q319 R320 K325 S326 | R318-E322 PolarHBondContact O-N 3.01Å; Q319-E322 PolarHBondContact O-N 3.3Å; R320-E322 VanDerWaalsContact C-N 3.29Å; R320-E322 PolarHBondContact O-N 3.45Å; E322-K325 PolarHBondContact O-N 3.35Å; E322-S326 WeakPolarHBondContact O-CB 3.24Å; E322-S326 PolarHBondContact O-N 2.88Å |
| 323 | R | 70.5 | Confident | 65.6 | Low | 170 Ų | 170 | 128.3 Ų | 128.3 | 64% | 0.642 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.8 | -37.2 | 175.3 | -162 | 174.9 | -171.1 | -174.3 | 2.4 | 112.2 | Q319 R320 S326 R327 | Q319-R323 WeakPolarHBondContact O-CB 3.41Å; Q319-R323 PolarHBondContact O-N 2.82Å; R320-R323 CarbonylContact O-C 3.6Å; R320-R323 WeakPolarHBondContact O-CA 3.38Å; R320-R323 WeakPolarHBondContact O-CB 3.48Å; R320-R323 PolarHBondContact O-N 3.36Å; R323-S326 WeakPolarHBondContact CA-OG 3.47Å; R323-S326 PolarHBondContact O-N 3.44Å; R323-S326 PolarHBondContact O-OG 2.86Å; R323-R327 WeakPolarHBondContact O-CG 3.5Å; R323-R327 PolarHBondContact O-N 3.16Å |
| 324 | E | 69.3 | Low | 63.3 | Low | 97 Ų | 97 | 128.9 Ų | 128.9 | 45% | 0.453 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.9 | -54 | 170.7 | -73.8 | 153.3 | -170.3 | 0 | 0 | 110.7 | R320 R321 S326 R327 D328 | R320-E324 WeakPolarHBondContact O-CG 3.25Å; R320-E324 PolarHBondContact O-N 3.42Å; R321-E324 WeakPolarHBondContact CA-OE2 3.41Å; E324-S326 PolarHBondContact O-N 3.48Å; E324-R327 WeakPolarHBondContact O-CA 3.43Å; E324-R327 WeakPolarHBondContact O-CB 3.45Å; E324-R327 PolarHBondContact O-N 2.99Å; E324-D328 PolarHBondContact O-N 2.94Å; E324-D328 VanDerWaalsContact O-N 3.17Å |
| 325 | K | 70.1 | Confident | 61.1 | Low | 142 Ų | 142 | 127.9 Ų | 127.9 | 62% | 0.617 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -57.7 | -21.6 | 173.7 | -75.2 | 172.7 | -179.9 | 175.9 | 0 | 114.8 | R321 E322 | R321-K325 WeakPolarHBondContact O-CB 3.3Å; R321-K325 WeakPolarHBondContact O-CD 3.14Å; R321-K325 VanDerWaalsContact O-CG 3.25Å; R321-K325 WeakPolarHBondContact O-CG 3.49Å; R321-K325 PolarHBondContact O-N 3.18Å; R321-K325 VanDerWaalsContact O-N 3.12Å; E322-K325 PolarHBondContact O-N 3.35Å |
| 326 | S | 61 | Low | 59.7 | Low | 75 Ų | 75 | 128.6 Ų | 128.6 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -80.9 | -21.4 | 173.8 | 81.2 | 0 | 0 | 0 | 0 | 113.7 | E322 R323 E324 | E322-S326 WeakPolarHBondContact O-CB 3.24Å; E322-S326 PolarHBondContact O-N 2.88Å; R323-S326 WeakPolarHBondContact CA-OG 3.47Å; R323-S326 PolarHBondContact O-N 3.44Å; R323-S326 PolarHBondContact O-OG 2.86Å; E324-S326 PolarHBondContact O-N 3.48Å |
| 327 | R | 62 | Low | 58.2 | Low | 179 Ų | 179 | 135.1 Ų | 135.1 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -85.8 | -36.6 | 176.3 | -70.7 | 165.5 | 166.4 | 178.8 | -7.5 | 111.9 | R323 E324 R329 | R323-R327 WeakPolarHBondContact O-CG 3.5Å; R323-R327 PolarHBondContact O-N 3.16Å; E324-R327 WeakPolarHBondContact O-CA 3.43Å; E324-R327 WeakPolarHBondContact O-CB 3.45Å; E324-R327 PolarHBondContact O-N 2.99Å; R327-R329 PolarHBondContact O-N 3.27Å |
| 328 | D | 51.2 | Low | 56.5 | Low | 131 Ų | 131 | 140.9 Ų | 140.9 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -73 | -8.8 | 179.7 | -55.6 | -30.4 | 0 | 0 | 0 | 113.2 | E324 I330 | E324-D328 PolarHBondContact O-N 2.94Å; E324-D328 VanDerWaalsContact O-N 3.17Å; D328-I330 PolarHBondContact O-N 3.34Å; D328-I330 VanDerWaalsContact O-N 3.17Å |
| 329 | R | 49.1 | Very low | 54.9 | Low | 203 Ų | 203 | 137.4 Ų | 137.4 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | trans | -82.3 | 87.4 | 171.7 | -75 | -178.7 | 178.4 | -166.2 | -1 | 110.3 | R327 P331 | R327-R329 PolarHBondContact O-N 3.27Å; R329-P331 WeakPolarHBondContact O-CD 3.49Å | ||
| 330 | I | 46.8 | Very low | 53.2 | Low | 151 Ų | 151 | 139.4 Ų | 139.4 | 77% | 0.774 | 71% | 0.71 | S | S | * | * | trans | -50.3 | 123 | 161.2 | -58 | 174.2 | 0 | 0 | 0 | 108 | D328 S332 | D328-I330 PolarHBondContact O-N 3.34Å; D328-I330 VanDerWaalsContact O-N 3.17Å; I330-S332 PolarHBondContact O-N 3.03Å; I330-S332 VanDerWaalsContact O-N 3.15Å | ||
| 331 | P | 43.3 | Very low | 51.7 | Low | 120 Ų | 120 | 143.1 Ų | 143.1 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | -69.1 | 110.1 | 172.3 | -18 | 32.4 | 0 | 0 | 0 | 109.5 | R329 D333 | R329-P331 WeakPolarHBondContact O-CD 3.49Å; P331-D333 PolarHBondContact O-N 3.43Å | ||
| 332 | S | 38.2 | Very low | 50.2 | Low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | trans | -67.8 | 122.5 | 165.1 | -64.8 | 0 | 0 | 0 | 0 | 108.9 | I330 D334 | I330-S332 PolarHBondContact O-N 3.03Å; I330-S332 VanDerWaalsContact O-N 3.15Å; S332-D334 PolarHBondContact O-N 3.31Å; S332-D334 VanDerWaalsContact O-N 3.14Å | ||
| 333 | D | 44.2 | Very low | 48.8 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 87% | 0.866 | 75% | 0.748 | S | S | * | * | trans | -82.9 | 83.9 | 179.7 | -171.7 | 29.6 | 0 | 0 | 0 | 110.7 | P331 | P331-D333 PolarHBondContact O-N 3.43Š| ||
| 334 | D | 37.8 | Very low | 47.3 | Very low | 158 Ų | 158 | 150 Ų | 150 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | -144.1 | 131.5 | 165.5 | -94.9 | -52.7 | 0 | 0 | 0 | 108.6 | S332 | S332-D334 PolarHBondContact O-N 3.31Å; S332-D334 VanDerWaalsContact O-N 3.14Å | ||
| 335 | G | 33.8 | Very low | 45.9 | Very low | 72 Ų | 72 | 154.7 Ų | 154.7 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -86.4 | -160.6 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 336 | P | 44.8 | Very low | 44.3 | Very low | 129 Ų | 129 | 155.1 Ų | 155.1 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | cis | -123 | -175.2 | 6.6 | 42.5 | -29.6 | 0 | 0 | 0 | 114.6 | ||||
| 337 | R | 50 | Low | 43.5 | Very low | 209 Ų | 209 | 163.2 Ų | 163.2 | 79% | 0.789 | 81% | 0.806 | S | S | * | * | trans | -65.8 | 139.4 | 166.6 | -62.6 | 173.1 | 173 | 171.1 | -1.2 | 111.1 | ||||
| 338 | D | 43.1 | Very low | 42.2 | Very low | 157 Ų | 157 | 163.1 Ų | 163.1 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | -173.4 | 146.9 | 97.2 | -99.9 | -29.1 | 0 | 0 | 0 | 112.4 | |||||
| 339 | G | 43.2 | Very low | 41.5 | Very low | 61 Ų | 61 | 168.4 Ų | 168.4 | 63% | 0.629 | 82% | 0.823 | S | S | * | * | trans | 157.1 | 146.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R341 | G339-R341 PolarHBondContact O-N 3.34Š| ||
| 340 | D | 38.7 | Very low | 40.8 | Very low | 161 Ų | 161 | 163.1 Ų | 163.1 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | trans | 53.8 | 40.8 | 156 | -69.1 | 1.3 | 0 | 0 | 0 | 121.1 | H342 | D340-H342 PolarHBondContact O-N 2.91Š| ||
| 341 | R | 42.9 | Very low | 40.4 | Very low | 226 Ų | 226 | 167.3 Ų | 167.3 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -73.1 | 44.2 | 155.2 | -60.2 | -160.9 | -150.2 | 173.7 | 11.2 | 113.3 | G339 | G339-R341 PolarHBondContact O-N 3.34Š| ||
| 342 | H | 43.5 | Very low | 39.9 | Very low | 177 Ų | 177 | 166.9 Ų | 166.9 | 82% | 0.819 | 83% | 0.829 | S | S | * | * | trans | -140.3 | 27.8 | -169 | -131.6 | 76.3 | 0 | 0 | 0 | 117.8 | D340 | D340-H342 PolarHBondContact O-N 2.91Š| ||
| 343 | R | 41.4 | Very low | 39.7 | Very low | 243 Ų | 243 | 172.6 Ų | 172.6 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -133.6 | 11.9 | 177.4 | -139 | 174.8 | -174.1 | 174.7 | 2.1 | 117.3 | ||
| 344 | Q | 40.1 | Very low | 39.1 | Very low | 184 Ų | 184 | 172.1 Ų | 172.1 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -116.2 | -5.1 | -177.1 | -77.6 | -172.8 | -22.2 | 0 | 0 | 115.7 | D346 | Q344-D346 PolarHBondContact O-N 3.43Š|
| 345 | K | 38.8 | Very low | 38.9 | Very low | 196 Ų | 196 | 176 Ų | 176 | 85% | 0.852 | 83% | 0.834 | S | S | * | * | G | 310 helix | trans | -77.8 | -19.9 | -166 | -135.4 | 174.5 | -174.9 | 179.7 | 0 | 115.4 | ||
| 346 | D | 37.8 | Very low | 38.7 | Very low | 152 Ų | 152 | 175.5 Ų | 175.5 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | G | 310 helix | trans | -89 | -14.4 | -170.5 | -53.7 | -53.7 | 0 | 0 | 0 | 114.8 | Q344 Q348 | Q344-D346 PolarHBondContact O-N 3.43Å; D346-Q348 PolarHBondContact O-N 2.96Å |
| 347 | R | 42.3 | Very low | 38.3 | Very low | 245 Ų | 245 | 176.8 Ų | 176.8 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | G | 310 helix | trans | -82.2 | -5.9 | -171.9 | -91.6 | -172.5 | 173.4 | -175.7 | -1.4 | 116.3 | ||
| 348 | Q | 36.5 | Very low | 37.5 | Very low | 176 Ų | 176 | 175 Ų | 175 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | G | 310 helix | trans | -111.4 | -1.9 | -175.3 | -69.8 | -164.4 | -18.4 | 0 | 0 | 115.7 | D346 A350 | D346-Q348 PolarHBondContact O-N 2.96Å; Q348-A350 VanDerWaalsContact C-N 3.27Å; Q348-A350 PolarHBondContact O-N 3.25Å; Q348-A350 VanDerWaalsContact O-N 3.16Å |
| 349 | R | 36.5 | Very low | 37.1 | Very low | 243 Ų | 243 | 175.4 Ų | 175.4 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 21.7 | -174.2 | -146.1 | -174.4 | -175.8 | -159.2 | 0.3 | 115.6 | ||
| 350 | A | 34.3 | Very low | 36.5 | Very low | 92 Ų | 92 | 179.7 Ų | 179.7 | 76% | 0.76 | 84% | 0.841 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132 | 6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116 | Q348 | Q348-A350 VanDerWaalsContact C-N 3.27Å; Q348-A350 PolarHBondContact O-N 3.25Å; Q348-A350 VanDerWaalsContact O-N 3.16Å |
| 351 | R | 38 | Very low | 36 | Very low | 239 Ų | 239 | 175.9 Ų | 175.9 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -144.8 | 59.7 | -176.9 | -69.5 | -172 | 177.6 | 162.2 | -1.6 | 113.9 | ||
| 352 | S | 32.3 | Very low | 35.6 | Very low | 111 Ų | 111 | 172.7 Ų | 172.7 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | -170.1 | 81.1 | 167.1 | 40.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 353 | R | 33.1 | Very low | 35 | Very low | 232 Ų | 232 | 172.1 Ų | 172.1 | 88% | 0.875 | 82% | 0.824 | S | S | * | * | trans | -137.5 | 155.7 | 149.7 | -78 | -163.6 | 169.9 | 171.2 | -3.6 | 108.8 | ||||
| 354 | D | 32.6 | Very low | 34.5 | Very low | 152 Ų | 152 | 166.5 Ų | 166.5 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | trans | 66.9 | 129.7 | -177.9 | -50.6 | -31.8 | 0 | 0 | 0 | 116 | ||||
| 355 | R | 34 | Very low | 33.9 | Very low | 239 Ų | 239 | 160.5 Ų | 160.5 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | cis | 172.7 | 138 | -49.2 | 165.2 | -172.9 | -95.3 | -178.3 | -8.9 | 107 | ||||
| 356 | G | 29.8 | Very low | 33.3 | Very low | 62 Ų | 62 | 162.4 Ų | 162.4 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | trans | 126.5 | 95.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 357 | L | 36.3 | Very low | 32.8 | Very low | 155 Ų | 155 | 159.8 Ų | 159.8 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | 61.5 | 105.2 | 64.4 | -55.3 | 178.7 | 0 | 0 | 0 | 111.8 | |||||
| 358 | D | 32.4 | Very low | 32.3 | Very low | 172 Ų | 172 | 158.3 Ų | 158.3 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | -148.8 | 173.7 | 92 | -98.5 | -30 | 0 | 0 | 0 | 111.4 | |||||
| 359 | M | 35.6 | Very low | 31.9 | Very low | 166 Ų | 166 | 156.5 Ų | 156.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -137.9 | 122.3 | -171.3 | -117.8 | -78.1 | -68.7 | 0 | 0 | 109.3 | ||||
| 360 | D | 30.3 | Very low | 31.7 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | 179.7 | 157.9 | 160.6 | -102.4 | -18.8 | 0 | 0 | 0 | 109.6 | ||||
| 361 | S | 28.4 | Very low | 32.1 | Very low | 81 Ų | 81 | 156.5 Ų | 156.5 | 57% | 0.566 | 79% | 0.792 | S | S | * | * | cis | -169.8 | 133.8 | -33.7 | -115.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 362 | L | 34 | Very low | 31.7 | Very low | 158 Ų | 158 | 154.2 Ų | 154.2 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | 60 | -179.8 | 164.3 | -57.4 | 170.4 | 0 | 0 | 0 | 115.5 | ||||
| 363 | E | 31 | Very low | 31.7 | Very low | 165 Ų | 165 | 153 Ų | 153 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | -161.8 | 149.8 | -56.1 | 179.4 | 170.3 | -151.5 | 0 | 0 | 108.3 | |||||
| 364 | S | 30.1 | Very low | 31.5 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | 67.7 | 157.1 | 173.4 | -133.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 365 | G | 26.8 | Very low | 31.3 | Very low | 58 Ų | 58 | 154.1 Ų | 154.1 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | cis | -168.4 | 164.2 | -2.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 366 | Y | 26.4 | Very low | 31 | Very low | 236 Ų | 236 | 145.6 Ų | 145.6 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | trans | -52 | 151.8 | 174.4 | -45.4 | -93.5 | 0 | 0 | 0 | 111.5 | ||||
| 367 | S | 27.3 | Very low | 30.8 | Very low | 97 Ų | 97 | 147.9 Ų | 147.9 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | 179.4 | 164.4 | 52.3 | -162.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 368 | R | 31.5 | Very low | 30.5 | Very low | 214 Ų | 214 | 152.3 Ų | 152.3 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | 40.3 | 146.8 | 144.8 | -78.4 | -176.4 | -177.8 | 168.6 | 1.5 | 122 | ||||
| 369 | D | 29.9 | Very low | 30.4 | Very low | 139 Ų | 139 | 152.4 Ų | 152.4 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | cis | -151.8 | 176.8 | 17.6 | -110.5 | -36.7 | 0 | 0 | 0 | 113.7 | ||||
| 370 | R | 32.2 | Very low | 30.5 | Very low | 220 Ų | 220 | 153.7 Ų | 153.7 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | -90.8 | 165.3 | 170.1 | -107.4 | -177.6 | -175.5 | 172.4 | 2.8 | 111 | ||||
| 371 | P | 41.2 | Very low | 30.6 | Very low | 115 Ų | 115 | 155.9 Ų | 155.9 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | cis | -131.2 | 170.4 | 42.5 | 36.8 | -16.2 | 0 | 0 | 0 | 114.4 | ||||
| 372 | R | 31.3 | Very low | 30.8 | Very low | 190 Ų | 190 | 161.1 Ų | 161.1 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | 58 | 126.6 | 60.9 | -122.5 | -170.1 | 171.7 | -118.5 | 8 | 111.7 | |||||
| 373 | D | 32.4 | Very low | 30.8 | Very low | 87 Ų | 87 | 161.6 Ų | 161.6 | 47% | 0.465 | 79% | 0.79 | S | S | . | * | cis | -160.6 | 158.2 | 43.2 | -114.8 | -68.1 | 0 | 0 | 0 | 113.7 | ||||
| 374 | Q | 28.2 | Very low | 30.8 | Very low | 165 Ų | 165 | 161.3 Ų | 161.3 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | 56.5 | 170.8 | 150.5 | -69.5 | 156.3 | 61 | 0 | 0 | 121.4 | ||||
| 375 | R | 29.2 | Very low | 30.9 | Very low | 241 Ų | 241 | 158.4 Ų | 158.4 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | cis | -177.2 | 122 | -45.2 | -176.9 | -177.3 | -158.7 | -95.1 | 2.9 | 108.4 | ||||
| 376 | G | 27 | Very low | 31 | Very low | 60 Ų | 60 | 159.7 Ų | 159.7 | 62% | 0.619 | 80% | 0.797 | S | S | * | * | trans | 171.2 | 126.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 377 | S | 26.2 | Very low | 31.3 | Very low | 110 Ų | 110 | 160.4 Ų | 160.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | 67.2 | 104.5 | 50.6 | -146.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 378 | W | 28.9 | Very low | 31.8 | Very low | 249 Ų | 249 | 165.9 Ų | 165.9 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | trans | -116.8 | 116.8 | 167.3 | -84.1 | 86.5 | 0 | 0 | 0 | 106.8 | ||||
| 379 | E | 31.1 | Very low | 31.9 | Very low | 173 Ų | 173 | 160.6 Ų | 160.6 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | -96.2 | 169.4 | 166.9 | -69.7 | 173.8 | 129.5 | 0 | 0 | 108.7 | ||||
| 380 | E | 37.6 | Very low | 32.2 | Very low | 194 Ų | 194 | 166.1 Ų | 166.1 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | trans | -72.6 | 141 | 170.8 | -59.3 | 167.8 | 124.3 | 0 | 0 | 109.7 | ||||
| 381 | E | 32.2 | Very low | 32.1 | Very low | 196 Ų | 196 | 160.8 Ų | 160.8 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -155.7 | 163.4 | 139.1 | -128.7 | 177.5 | -157.3 | 0 | 0 | 111.3 | ||||
| 382 | E | 31.9 | Very low | 31.8 | Very low | 191 Ų | 191 | 163.4 Ų | 163.4 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -93.3 | 155.2 | -173 | -53.4 | 178.9 | 130.6 | 0 | 0 | 111.3 | ||||
| 383 | D | 33.4 | Very low | 31.9 | Very low | 169 Ų | 169 | 163.3 Ų | 163.3 | 90% | 0.904 | 83% | 0.829 | S | S | * | * | trans | -140.9 | 152.2 | 162.1 | -166.7 | 19.9 | 0 | 0 | 0 | 111 | ||||
| 384 | D | 32.3 | Very low | 31.9 | Very low | 159 Ų | 159 | 169.7 Ų | 169.7 | 85% | 0.85 | 85% | 0.846 | S | S | * | * | trans | -117.9 | 177.6 | -156.6 | -161.6 | -10.6 | 0 | 0 | 0 | 112.2 | ||||
| 385 | G | 31.3 | Very low | 32 | Very low | 64 Ų | 64 | 169.5 Ų | 169.5 | 66% | 0.66 | 85% | 0.849 | S | S | * | * | trans | 104.6 | 39.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 386 | G | 30.5 | Very low | 31.9 | Very low | 85 Ų | 85 | 165.1 Ų | 165.1 | 88% | 0.876 | 84% | 0.838 | S | S | * | * | trans | -95.4 | 21.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | K388 | G386-K388 PolarHBondContact O-N 3.21Š| ||
| 387 | R | 32.8 | Very low | 32.1 | Very low | 250 Ų | 250 | 167.7 Ų | 167.7 | 94% | 0.943 | 85% | 0.846 | S | S | * | * | trans | -71.4 | 112.1 | -165.4 | -66.5 | -173.2 | -176 | -170.4 | 3 | 115.5 | ||||
| 388 | K | 37.1 | Very low | 32.3 | Very low | 212 Ų | 212 | 167.6 Ų | 167.6 | 92% | 0.922 | 85% | 0.846 | S | S | * | * | trans | -141.8 | 100.9 | 149.1 | -101.4 | 176.9 | -174.6 | 168.2 | 0 | 111.7 | G386 | G386-K388 PolarHBondContact O-N 3.21Š| ||
| 389 | A | 32.9 | Very low | 33 | Very low | 103 Ų | 103 | 161.4 Ų | 161.4 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | trans | -90.1 | 137.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 390 | R | 36.3 | Very low | 33 | Very low | 256 Ų | 256 | 159.8 Ų | 159.8 | 97% | 0.966 | 84% | 0.839 | S | S | * | * | trans | -134.1 | 143.9 | 145.2 | -80 | -163.9 | 170.3 | -165.1 | -3.2 | 108.8 | ||||
| 391 | S | 30.9 | Very low | 33 | Very low | 108 Ų | 108 | 159.2 Ų | 159.2 | 76% | 0.755 | 84% | 0.837 | S | S | * | * | trans | -93.5 | 148.8 | -170.8 | 45.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 392 | Q | 34.5 | Very low | 33.1 | Very low | 170 Ų | 170 | 154.7 Ų | 154.7 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | -171.5 | 123.4 | 108.9 | -100.6 | 174.9 | -2.4 | 0 | 0 | 113.9 | |||||
| 393 | Q | 34.1 | Very low | 32.9 | Very low | 188 Ų | 188 | 155.2 Ų | 155.2 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | trans | 63.5 | 162.7 | 147.6 | -63.3 | -174.3 | -19 | 0 | 0 | 120.8 | ||||
| 394 | R | 31.5 | Very low | 32.9 | Very low | 221 Ų | 221 | 153.3 Ų | 153.3 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -117.6 | 157.1 | -176.8 | -59.9 | 174 | 171.5 | -165.7 | -2.4 | 108.9 | ||||
| 395 | I | 31.3 | Very low | 32.8 | Very low | 161 Ų | 161 | 151.4 Ų | 151.4 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | 179.3 | 160.9 | 116.6 | -92.7 | 159.3 | 0 | 0 | 0 | 111.4 | |||||
| 396 | H | 27.2 | Very low | 32.9 | Very low | 149 Ų | 149 | 157.4 Ų | 157.4 | 69% | 0.69 | 81% | 0.814 | S | S | * | * | trans | -76.8 | 143.9 | -162.2 | -56.4 | -93.8 | 0 | 0 | 0 | 116.7 | ||||
| 397 | S | 30.5 | Very low | 33 | Very low | 113 Ų | 113 | 158 Ų | 158 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | 61.2 | 141 | 127.5 | -55.2 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 398 | S | 29.8 | Very low | 33 | Very low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | 82.1 | 129.9 | 154.3 | -153.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 399 | P | 44.3 | Very low | 32.7 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -83.4 | 170.2 | 164.9 | 36.4 | -34.3 | 0 | 0 | 0 | 112.4 | ||||
| 400 | V | 31.5 | Very low | 32.6 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -130.6 | 161.1 | 179.6 | 167.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 401 | E | 37 | Very low | 32.3 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -79.4 | -155.1 | -172 | -50.1 | 178.6 | 125.1 | 0 | 0 | 114.9 | ||||
| 402 | V | 33.5 | Very low | 32.4 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 61% | 0.612 | 80% | 0.803 | S | S | * | * | trans | 83.9 | 119.9 | 173.8 | -161.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 403 | F | 28.7 | Very low | 32.2 | Very low | 202 Ų | 202 | 146.6 Ų | 146.6 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | -143.1 | 164.9 | 61.2 | -104.1 | -79.2 | 0 | 0 | 0 | 117.6 | |||||
| 404 | D | 31.9 | Very low | 32 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 69% | 0.69 | 80% | 0.802 | S | S | * | * | trans | -99.3 | 151.1 | -166.2 | -75.3 | -73 | 0 | 0 | 0 | 118.3 | ||||
| 405 | V | 31.8 | Very low | 32.2 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | 27.2 | 120.9 | 131.4 | -170.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 406 | F | 32.1 | Very low | 32.5 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | trans | 8.4 | 138 | 146 | -68.3 | -92.4 | 0 | 0 | 0 | 123.1 | ||||
| 407 | A | 33.7 | Very low | 32.9 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -145.6 | 154.5 | 140.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 408 | N | 33.3 | Very low | 32.9 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -105.5 | 153.7 | 179.9 | -69.9 | -62.2 | 0 | 0 | 0 | 111.9 | ||||
| 409 | G | 29.8 | Very low | 33.1 | Very low | 73 Ų | 73 | 145.3 Ų | 145.3 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 177.2 | 83.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 410 | E | 30.6 | Very low | 32.4 | Very low | 192 Ų | 192 | 148 Ų | 148 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | 51.1 | 126.6 | 146.5 | -54.4 | -161.2 | 133 | 0 | 0 | 124.6 | ||||
| 411 | A | 30.9 | Very low | 32.5 | Very low | 93 Ų | 93 | 147.8 Ų | 147.8 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 60.6 | 99.5 | 131.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 412 | R | 32.6 | Very low | 32.1 | Very low | 256 Ų | 256 | 144.6 Ų | 144.6 | 97% | 0.966 | 79% | 0.792 | S | S | * | * | -162.7 | 149.5 | 108.2 | -110.1 | 173.3 | 175.3 | -177.4 | -1.7 | 112.2 | |||||
| 413 | G | 30.4 | Very low | 32.1 | Very low | 81 Ų | 81 | 148 Ų | 148 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -99.6 | 164.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 414 | G | 29.6 | Very low | 32.3 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -177 | 96.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 415 | A | 36.1 | Very low | 32.3 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -85 | 142.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 416 | R | 36.8 | Very low | 32.5 | Very low | 245 Ų | 245 | 140.6 Ų | 140.6 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -163.8 | 126.9 | 154.3 | -107.2 | 158.5 | -163.5 | -155.7 | 1.2 | 110.9 | ||||
| 417 | E | 35.1 | Very low | 32.4 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 67% | 0.668 | 81% | 0.811 | S | S | * | * | trans | -71 | 138.9 | 162.7 | -75.5 | -177.8 | 98.9 | 0 | 0 | 109.8 | R419 | E417-R419 IonicContact OE1-CZ 2.74Å; E417-R419 IonicContact OE1-NE 2.67Å; E417-R419 PolarHBondContact OE1-NE 2.81Å; E417-R419 IonicContact OE1-NH2 2.74Å; E417-R419 PolarHBondContact OE1-NH2 2.95Å | ||
| 418 | I | 31.9 | Very low | 32.7 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | -135.5 | 125 | 140.4 | -59.5 | -177.2 | 0 | 0 | 0 | 106.7 | ||||
| 419 | R | 32.9 | Very low | 33.1 | Very low | 203 Ų | 203 | 139.2 Ų | 139.2 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -100.1 | 126.7 | 169.4 | -55.1 | -179.6 | -161.9 | -175.2 | 4.6 | 108.3 | E417 | E417-R419 IonicContact OE1-CZ 2.74Å; E417-R419 IonicContact OE1-NE 2.67Å; E417-R419 PolarHBondContact OE1-NE 2.81Å; E417-R419 IonicContact OE1-NH2 2.74Å; E417-R419 PolarHBondContact OE1-NH2 2.95Å | ||
| 420 | H | 29.4 | Very low | 33.7 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 82% | 0.815 | 80% | 0.802 | S | S | * | * | trans | -132.3 | 130 | 159.1 | -78.7 | -58.3 | 0 | 0 | 0 | 110.3 | ||||
| 421 | V | 33.7 | Very low | 34.3 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -104.2 | 128.7 | 167.8 | 172.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 422 | D | 29.8 | Very low | 34.8 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 62% | 0.615 | 80% | 0.801 | S | S | * | * | 175.6 | 163.5 | 110.4 | -133.8 | -30.7 | 0 | 0 | 0 | 114.2 | |||||
| 423 | K | 33.5 | Very low | 35.4 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | 43.9 | 88 | 152.4 | -72.5 | 139.9 | -165.4 | 155.7 | 0 | 120.4 | ||||
| 424 | G | 32.8 | Very low | 36.2 | Very low | 84 Ų | 84 | 143 Ų | 143 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | 34.3 | 122.9 | 116.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 425 | S | 31.8 | Very low | 37.1 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | trans | -132.6 | 148.1 | 148.9 | 58.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 426 | G | 36.6 | Very low | 37.6 | Very low | 83 Ų | 83 | 143.6 Ų | 143.6 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -83.3 | 143.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 427 | S | 29.8 | Very low | 38.5 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -127.1 | 133.8 | 165.9 | -166.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 428 | I | 39.8 | Very low | 39.6 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | trans | -89.7 | 124 | -177.9 | -63.1 | 164.6 | 0 | 0 | 0 | 107.8 | ||||
| 429 | I | 41.5 | Very low | 40.7 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -112.2 | 114.7 | 170.5 | -57.3 | 179.1 | 0 | 0 | 0 | 107.5 | ||||
| 430 | P | 41.4 | Very low | 41.7 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | trans | -81.7 | 163.2 | 178.6 | 32.9 | -34.2 | 0 | 0 | 0 | 113.2 | ||||
| 431 | E | 44.5 | Very low | 43.1 | Very low | 163 Ų | 163 | 123 Ų | 123 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | trans | -43.4 | 128.6 | -178.2 | -57.6 | 164.2 | 128.3 | 0 | 0 | 115.5 | ||||
| 432 | T | 40.8 | Very low | 44.1 | Very low | 143 Ų | 143 | 118.1 Ų | 118.1 | 88% | 0.877 | 69% | 0.686 | S | S | * | * | trans | -143 | 14.2 | 164.9 | 37.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 433 | E | 45.3 | Very low | 45.2 | Very low | 174 Ų | 174 | 118.2 Ų | 118.2 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | trans | -95.8 | 0.1 | -177.6 | -149.1 | 174.5 | 173.1 | 0 | 0 | 114.4 | G435 | E433-G435 PolarHBondContact O-N 3.16Å; E433-G435 VanDerWaalsContact O-N 3.13Å | ||
| 434 | Y | 46.6 | Very low | 46.4 | Very low | 194 Ų | 194 | 113.9 Ų | 113.9 | 76% | 0.761 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -87 | 69.6 | 176 | -74 | -78.3 | 0 | 0 | 0 | 112.2 | ||
| 435 | G | 48.7 | Very low | 47.6 | Very low | 41 Ų | 41 | 114.7 Ų | 114.7 | 42% | 0.423 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -165.5 | -31.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | E433 T437 | E433-G435 PolarHBondContact O-N 3.16Å; E433-G435 VanDerWaalsContact O-N 3.13Å; G435-T437 PolarHBondContact O-N 3.14Å |
| 436 | L | 47.3 | Very low | 48.9 | Very low | 150 Ų | 150 | 114.2 Ų | 114.2 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.8 | -23.8 | -174.3 | -141.8 | 75 | 0 | 0 | 0 | 113.9 | T440 | L436-T440 PolarHBondContact O-OG1 3.41Å |
| 437 | T | 55 | Low | 50.5 | Low | 74 Ų | 74 | 115.2 Ų | 115.2 | 45% | 0.454 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -90.6 | -9.5 | -177 | 66.8 | 0 | 0 | 0 | 0 | 114.3 | G435 T440 K441 | G435-T437 PolarHBondContact O-N 3.14Å; T437-T440 PolarHBondContact O-OG1 3.32Å; T437-K441 VanDerWaalsContact O-CD 3.23Å; T437-K441 WeakPolarHBondContact O-CD 3.47Å; T437-K441 WeakPolarHBondContact O-CE 3.3Å; T437-K441 VanDerWaalsContact O-CG 3.23Å; T437-K441 WeakPolarHBondContact O-CG 3.42Å |
| 438 | E | 58.4 | Low | 52.5 | Low | 136 Ų | 136 | 114.5 Ų | 114.5 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -86 | -41.6 | 177.8 | -59.8 | -167.1 | 156.1 | 0 | 0 | 111 | T440 K441 G442 | E438-T440 VanDerWaalsContact C-N 3.3Å; E438-T440 PolarHBondContact O-N 3.12Å; E438-K441 PolarHBondContact O-N 2.65Å; E438-G442 PolarHBondContact O-N 3.3Å |
| 439 | A | 55.5 | Low | 54.2 | Low | 67 Ų | 67 | 115.1 Ų | 115.1 | 55% | 0.554 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -58.8 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G442 L443 | A439-G442 PolarHBondContact O-N 3.35Å; A439-L443 PolarHBondContact O-N 2.92Å; A439-L443 VanDerWaalsContact O-N 3.15Å |
| 440 | T | 54.3 | Low | 56 | Low | 80 Ų | 80 | 112.9 Ų | 112.9 | 49% | 0.491 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73.5 | -36 | 179.4 | 50.4 | 0 | 0 | 0 | 0 | 113.2 | L436 T437 E438 G442 L443 T444 | L436-T440 PolarHBondContact O-OG1 3.41Å; T437-T440 PolarHBondContact O-OG1 3.32Å; E438-T440 VanDerWaalsContact C-N 3.3Å; E438-T440 PolarHBondContact O-N 3.12Å; T440-G442 VanDerWaalsContact C-N 3.32Å; T440-L443 PolarHBondContact O-N 3.3Å; T440-T444 PolarHBondContact O-N 3.28Å |
| 441 | K | 57.3 | Low | 57.8 | Low | 122 Ų | 122 | 113.3 Ų | 113.3 | 53% | 0.53 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.3 | -34.5 | 169.2 | -68.9 | 167.2 | -169.8 | 164.9 | 0 | 112 | T437 E438 L443 T444 N445 | T437-K441 VanDerWaalsContact O-CD 3.23Å; T437-K441 WeakPolarHBondContact O-CD 3.47Å; T437-K441 WeakPolarHBondContact O-CE 3.3Å; T437-K441 VanDerWaalsContact O-CG 3.23Å; T437-K441 WeakPolarHBondContact O-CG 3.42Å; E438-K441 PolarHBondContact O-N 2.65Å; K441-L443 VanDerWaalsContact C-N 3.32Å; K441-L443 PolarHBondContact O-N 2.94Å; K441-T444 PolarHBondContact O-N 3.42Å; K441-T444 PolarHBondContact O-OG1 3.35Å; K441-N445 WeakPolarHBondContact O-CB 3.47Å; K441-N445 PolarHBondContact O-N 2.89Å; K441-N445 PolarHBondContact O-ND2 2.81Å; K441-N445 PolarHBondContact O-OD1 3.36Å |
| 442 | G | 55.1 | Low | 59.8 | Low | 31 Ų | 31 | 110.8 Ų | 110.8 | 32% | 0.32 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.1 | -43.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | E438 A439 T440 N445 L446 | E438-G442 PolarHBondContact O-N 3.3Å; A439-G442 PolarHBondContact O-N 3.35Å; T440-G442 VanDerWaalsContact C-N 3.32Å; G442-N445 PolarHBondContact O-N 3.07Å; G442-L446 WeakPolarHBondContact O-CG 3.32Å; G442-L446 PolarHBondContact O-N 3.04Å |
| 443 | L | 52.8 | Low | 61.9 | Low | 117 Ų | 117 | 109 Ų | 109 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.6 | -44.6 | 176.9 | -69.3 | 168.8 | 0 | 0 | 0 | 112.7 | A439 T440 K441 N445 L446 D447 | A439-L443 PolarHBondContact O-N 2.92Å; A439-L443 VanDerWaalsContact O-N 3.15Å; T440-L443 PolarHBondContact O-N 3.3Å; K441-L443 VanDerWaalsContact C-N 3.32Å; K441-L443 PolarHBondContact O-N 2.94Å; L443-N445 VanDerWaalsContact C-N 3.31Å; L443-N445 PolarHBondContact O-N 2.81Å; L443-L446 PolarHBondContact O-N 3.27Å; L443-D447 PolarHBondContact O-N 3.33Å |
| 444 | T | 58.6 | Low | 63.9 | Low | 81 Ų | 81 | 105.2 Ų | 105.2 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.3 | -33.6 | 177.2 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | T440 K441 D447 L448 | T440-T444 PolarHBondContact O-N 3.28Å; K441-T444 PolarHBondContact O-N 3.42Å; K441-T444 PolarHBondContact O-OG1 3.35Å; T444-D447 PolarHBondContact O-N 2.87Å; T444-L448 WeakPolarHBondContact O-CB 3.32Å; T444-L448 PolarHBondContact O-N 3.18Å |
| 445 | N | 58.1 | Low | 66 | Low | 102 Ų | 102 | 100.3 Ų | 100.3 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74.8 | -28.4 | 177.3 | -66.7 | -4.9 | 0 | 0 | 0 | 112.3 | K441 G442 L443 R449 | K441-N445 WeakPolarHBondContact O-CB 3.47Å; K441-N445 PolarHBondContact O-N 2.89Å; K441-N445 PolarHBondContact O-ND2 2.81Å; K441-N445 PolarHBondContact O-OD1 3.36Å; G442-N445 PolarHBondContact O-N 3.07Å; L443-N445 VanDerWaalsContact C-N 3.31Å; L443-N445 PolarHBondContact O-N 2.81Å; N445-R449 WeakPolarHBondContact O-CB 3.31Å; N445-R449 PolarHBondContact O-N 2.87Å |
| 446 | L | 58.8 | Low | 67.8 | Low | 115 Ų | 115 | 104 Ų | 104 | 60% | 0.602 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.8 | -44.4 | 169 | -75.3 | 165.9 | 0 | 0 | 0 | 111.3 | G442 L443 R449 E450 | G442-L446 WeakPolarHBondContact O-CG 3.32Å; G442-L446 PolarHBondContact O-N 3.04Å; L443-L446 PolarHBondContact O-N 3.27Å; L446-R449 PolarHBondContact O-N 3.3Å; L446-E450 WeakPolarHBondContact O-CB 3.48Å; L446-E450 PolarHBondContact O-N 3.44Å |
| 447 | D | 70.1 | Confident | 69.7 | Low | 105 Ų | 105 | 101.5 Ų | 101.5 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.3 | -43.7 | 179.6 | -157.8 | 21.2 | 0 | 0 | 0 | 111.5 | L443 T444 R449 E450 Q451 | L443-D447 PolarHBondContact O-N 3.33Å; T444-D447 PolarHBondContact O-N 2.87Å; D447-R449 PolarHBondContact O-N 2.82Å; D447-E450 PolarHBondContact O-N 3.08Å; D447-Q451 WeakPolarHBondContact O-CB 3.43Å; D447-Q451 PolarHBondContact O-N 3.39Å |
| 448 | L | 73.3 | Confident | 71.4 | Confident | 98 Ų | 98 | 102.4 Ų | 102.4 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56 | -47.9 | 170 | -95 | 156.8 | 0 | 0 | 0 | 112.4 | T444 Q451 E452 | T444-L448 WeakPolarHBondContact O-CB 3.32Å; T444-L448 PolarHBondContact O-N 3.18Å; L448-Q451 WeakPolarHBondContact O-CB 3.37Å; L448-Q451 PolarHBondContact O-N 3.21Å; L448-E452 WeakPolarHBondContact O-CG 3.33Å; L448-E452 PolarHBondContact O-N 3.5Å |
| 449 | R | 75 | Confident | 72.9 | Confident | 172 Ų | 172 | 98.5 Ų | 98.5 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.3 | -29.1 | -178.6 | -166.2 | 171.1 | -177 | 178.9 | 0.4 | 113 | N445 L446 D447 L453 | N445-R449 WeakPolarHBondContact O-CB 3.31Å; N445-R449 PolarHBondContact O-N 2.87Å; L446-R449 PolarHBondContact O-N 3.3Å; D447-R449 PolarHBondContact O-N 2.82Å; R449-L453 WeakPolarHBondContact O-CD1 3.39Å; R449-L453 VanDerWaalsContact O-CG 3.29Å; R449-L453 WeakPolarHBondContact O-CG 3.19Å; R449-L453 PolarHBondContact O-N 2.92Å; R449-L453 VanDerWaalsContact O-N 3.08Å |
| 450 | E | 78.7 | Confident | 74.6 | Confident | 106 Ų | 106 | 102.7 Ų | 102.7 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.8 | -33.2 | 170.6 | -156.4 | -171.6 | 118.9 | 0 | 0 | 111 | L446 D447 K454 | L446-E450 WeakPolarHBondContact O-CB 3.48Å; L446-E450 PolarHBondContact O-N 3.44Å; D447-E450 PolarHBondContact O-N 3.08Å; E450-K454 WeakPolarHBondContact O-CD 3.39Å; E450-K454 VanDerWaalsContact O-CG 3.25Å; E450-K454 WeakPolarHBondContact O-CG 3.47Å; E450-K454 PolarHBondContact O-N 3.12Å; E450-K454 VanDerWaalsContact O-N 3.09Å; E450-K454 WeakPolarHBondContact OE1-CE 3.47Å; E450-K454 IonicContact OE1-NZ 3.85Å; E450-K454 PolarHBondContact OE1-NZ 3.5Å |
| 451 | Q | 80.1 | Confident | 76.3 | Confident | 108 Ų | 108 | 106.1 Ų | 106.1 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.4 | -46 | 170.2 | -175.4 | 172.8 | -13.7 | 0 | 0 | 111.8 | D447 L448 L453 K454 D455 | D447-Q451 WeakPolarHBondContact O-CB 3.43Å; D447-Q451 PolarHBondContact O-N 3.39Å; L448-Q451 WeakPolarHBondContact O-CB 3.37Å; L448-Q451 PolarHBondContact O-N 3.21Å; Q451-L453 VanDerWaalsContact C-N 3.26Å; Q451-L453 PolarHBondContact O-N 3.08Å; Q451-K454 PolarHBondContact O-N 3.09Å; Q451-K454 VanDerWaalsContact O-N 3.07Å; Q451-D455 WeakPolarHBondContact O-CB 3.34Å; Q451-D455 PolarHBondContact O-N 3.4Å |
| 452 | E | 85.8 | Confident | 78 | Confident | 110 Ų | 110 | 105.1 Ų | 105.1 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -54.8 | -41.6 | 173.1 | -72.3 | 171.8 | 167.7 | 0 | 0 | 112 | L448 D455 M456 | L448-E452 WeakPolarHBondContact O-CG 3.33Å; L448-E452 PolarHBondContact O-N 3.5Å; E452-D455 PolarHBondContact O-N 2.97Å; E452-M456 WeakPolarHBondContact O-CB 3.48Å; E452-M456 WeakPolarHBondContact O-CG 3.4Å; E452-M456 PolarHBondContact O-N 3.15Å |
| 453 | L | 86.2 | Confident | 79.5 | Confident | 106 Ų | 106 | 109.7 Ų | 109.7 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | 175.5 | -75.8 | 164.6 | 0 | 0 | 0 | 112.5 | R449 Q451 M456 E457 | R449-L453 WeakPolarHBondContact O-CD1 3.39Å; R449-L453 VanDerWaalsContact O-CG 3.29Å; R449-L453 WeakPolarHBondContact O-CG 3.19Å; R449-L453 PolarHBondContact O-N 2.92Å; R449-L453 VanDerWaalsContact O-N 3.08Å; Q451-L453 VanDerWaalsContact C-N 3.26Å; Q451-L453 PolarHBondContact O-N 3.08Å; L453-M456 HydrophobicContact CD2-CE 3.94Å; L453-M456 HydrophobicContact CG-CE 4.43Å; L453-E457 PolarHBondContact O-N 2.98Å |
| 454 | K | 85.9 | Confident | 81.2 | Confident | 95 Ų | 95 | 108.6 Ų | 108.6 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 175.8 | -69.6 | 158.4 | -170.2 | 156.5 | 0 | 111.6 | E450 Q451 E457 V458 | E450-K454 WeakPolarHBondContact O-CD 3.39Å; E450-K454 VanDerWaalsContact O-CG 3.25Å; E450-K454 WeakPolarHBondContact O-CG 3.47Å; E450-K454 PolarHBondContact O-N 3.12Å; E450-K454 VanDerWaalsContact O-N 3.09Å; E450-K454 WeakPolarHBondContact OE1-CE 3.47Å; E450-K454 IonicContact OE1-NZ 3.85Å; E450-K454 PolarHBondContact OE1-NZ 3.5Å; Q451-K454 PolarHBondContact O-N 3.09Å; Q451-K454 VanDerWaalsContact O-N 3.07Å; K454-E457 PolarHBondContact O-N 3.43Å; K454-E457 VanDerWaalsContact O-N 3.14Å; K454-V458 WeakPolarHBondContact O-CG2 3.44Å; K454-V458 PolarHBondContact O-N 2.83Å |
| 455 | D | 91.5 | Very high | 82.6 | Confident | 91 Ų | 91 | 109.5 Ų | 109.5 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -36.4 | 179.9 | -71.2 | -21.2 | 0 | 0 | 0 | 111.1 | Q451 E452 V458 A459 | Q451-D455 WeakPolarHBondContact O-CB 3.34Å; Q451-D455 PolarHBondContact O-N 3.4Å; E452-D455 PolarHBondContact O-N 2.97Å; D455-V458 PolarHBondContact O-N 3.02Å; D455-A459 WeakPolarHBondContact O-CB 3.3Å; D455-A459 PolarHBondContact O-N 3.01Å |
| 456 | M | 85.9 | Confident | 83.9 | Confident | 118 Ų | 118 | 109.7 Ų | 109.7 | 58% | 0.581 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.7 | -39.5 | 168.1 | -77.4 | -169.7 | -66.8 | 0 | 0 | 112.9 | E452 L453 A459 R460 | E452-M456 WeakPolarHBondContact O-CB 3.48Å; E452-M456 WeakPolarHBondContact O-CG 3.4Å; E452-M456 PolarHBondContact O-N 3.15Å; L453-M456 HydrophobicContact CD2-CE 3.94Å; L453-M456 HydrophobicContact CG-CE 4.43Å; M456-A459 PolarHBondContact O-N 3.28Å; M456-R460 WeakPolarHBondContact O-CB 3.33Å; M456-R460 PolarHBondContact O-N 3.49Å |
| 457 | E | 86.8 | Confident | 85.1 | Confident | 97 Ų | 97 | 109.1 Ų | 109.1 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 176.2 | -155 | -161.2 | 146.9 | 0 | 0 | 111.6 | L453 K454 R460 R461 | L453-E457 PolarHBondContact O-N 2.98Å; K454-E457 PolarHBondContact O-N 3.43Å; K454-E457 VanDerWaalsContact O-N 3.14Å; E457-R460 PolarHBondContact O-N 3.49Å; E457-R461 WeakPolarHBondContact O-CB 3.47Å; E457-R461 VanDerWaalsContact O-CG 3.28Å; E457-R461 WeakPolarHBondContact O-CG 3.46Å; E457-R461 PolarHBondContact O-N 3.23Å; E457-R461 IonicContact OE1-CZ 2.85Å; E457-R461 IonicContact OE1-NE 3.01Å; E457-R461 PolarHBondContact OE1-NE 3.17Å; E457-R461 IonicContact OE1-NH2 3.06Å; E457-R461 PolarHBondContact OE1-NH2 2.95Å |
| 458 | V | 90.5 | Very high | 86 | Confident | 93 Ų | 93 | 111 Ų | 111 | 56% | 0.564 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.8 | -45.9 | 173.9 | 170.7 | 0 | 0 | 0 | 0 | 111 | K454 D455 R460 R461 L462 | K454-V458 WeakPolarHBondContact O-CG2 3.44Å; K454-V458 PolarHBondContact O-N 2.83Å; D455-V458 PolarHBondContact O-N 3.02Å; V458-R460 PolarHBondContact O-N 2.71Å; V458-R461 PolarHBondContact O-N 3.48Å; V458-L462 WeakPolarHBondContact O-CB 3.4Å; V458-L462 PolarHBondContact O-N 3.27Å |
| 459 | A | 89.8 | Confident | 86.6 | Confident | 54 Ų | 54 | 113 Ų | 113 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D455 M456 L462 Q463 | D455-A459 WeakPolarHBondContact O-CB 3.3Å; D455-A459 PolarHBondContact O-N 3.01Å; M456-A459 PolarHBondContact O-N 3.28Å; A459-L462 WeakPolarHBondContact O-CB 3.44Å; A459-L462 PolarHBondContact O-N 2.87Å; A459-Q463 PolarHBondContact O-N 3.06Å |
| 460 | R | 91.2 | Very high | 86.8 | Confident | 156 Ų | 156 | 109.7 Ų | 109.7 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -46.9 | 174.9 | 179.8 | -175.6 | 159.2 | -168.8 | -10.7 | 111.9 | M456 E457 V458 L462 Q463 E464 | M456-R460 WeakPolarHBondContact O-CB 3.33Å; M456-R460 PolarHBondContact O-N 3.49Å; E457-R460 PolarHBondContact O-N 3.49Å; V458-R460 PolarHBondContact O-N 2.71Å; R460-L462 VanDerWaalsContact C-N 3.3Å; R460-L462 PolarHBondContact O-N 2.89Å; R460-Q463 PolarHBondContact O-N 2.92Å; R460-E464 IonicContact CZ-OE1 3.15Å; R460-E464 IonicContact NE-OE1 2.84Å; R460-E464 PolarHBondContact NE-OE1 3.44Å; R460-E464 IonicContact NH2-OE1 2.67Å; R460-E464 PolarHBondContact NH2-OE1 3.27Å; R460-E464 WeakPolarHBondContact O-CG 3.33Å; R460-E464 PolarHBondContact O-N 3.09Å |
| 461 | R | 91.8 | Very high | 87.1 | Confident | 151 Ų | 151 | 107 Ų | 107 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.2 | -38.5 | 177.1 | -74.3 | 175 | -177.6 | -147.5 | 9.2 | 111.7 | E457 V458 E465 | E457-R461 WeakPolarHBondContact O-CB 3.47Å; E457-R461 VanDerWaalsContact O-CG 3.28Å; E457-R461 WeakPolarHBondContact O-CG 3.46Å; E457-R461 PolarHBondContact O-N 3.23Å; E457-R461 IonicContact OE1-CZ 2.85Å; E457-R461 IonicContact OE1-NE 3.01Å; E457-R461 PolarHBondContact OE1-NE 3.17Å; E457-R461 IonicContact OE1-NH2 3.06Å; E457-R461 PolarHBondContact OE1-NH2 2.95Å; V458-R461 PolarHBondContact O-N 3.48Å; R461-E465 WeakPolarHBondContact O-CB 3.22Å; R461-E465 PolarHBondContact O-N 3.48Å |
| 462 | L | 91.8 | Very high | 87.3 | Confident | 102 Ų | 102 | 104.9 Ų | 104.9 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 174 | -166.4 | 86 | 0 | 0 | 0 | 111.1 | V458 A459 R460 E465 E466 | V458-L462 WeakPolarHBondContact O-CB 3.4Å; V458-L462 PolarHBondContact O-N 3.27Å; A459-L462 WeakPolarHBondContact O-CB 3.44Å; A459-L462 PolarHBondContact O-N 2.87Å; R460-L462 VanDerWaalsContact C-N 3.3Å; R460-L462 PolarHBondContact O-N 2.89Å; L462-E465 WeakPolarHBondContact O-CB 3.1Å; L462-E465 PolarHBondContact O-N 3.37Å; L462-E466 PolarHBondContact O-N 2.83Å |
| 463 | Q | 86.4 | Confident | 87.1 | Confident | 126 Ų | 126 | 105.9 Ų | 105.9 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.2 | -40 | 179.4 | -167.9 | 177.1 | 10.6 | 0 | 0 | 112.4 | A459 R460 E465 E466 L467 | A459-Q463 PolarHBondContact O-N 3.06Å; R460-Q463 PolarHBondContact O-N 2.92Å; Q463-E465 VanDerWaalsContact C-N 3.34Å; Q463-E466 PolarHBondContact O-N 2.8Å; Q463-L467 WeakPolarHBondContact O-CB 3.26Å; Q463-L467 WeakPolarHBondContact O-CG 3.15Å; Q463-L467 PolarHBondContact O-N 3.46Å |
| 464 | E | 89.9 | Confident | 86.9 | Confident | 94 Ų | 94 | 107.3 Ų | 107.3 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 171.5 | -74.2 | -179.2 | -171.4 | 0 | 0 | 111.7 | R460 K468 | R460-E464 IonicContact CZ-OE1 3.15Å; R460-E464 IonicContact NE-OE1 2.84Å; R460-E464 PolarHBondContact NE-OE1 3.44Å; R460-E464 IonicContact NH2-OE1 2.67Å; R460-E464 PolarHBondContact NH2-OE1 3.27Å; R460-E464 WeakPolarHBondContact O-CG 3.33Å; R460-E464 PolarHBondContact O-N 3.09Å; E464-K468 VanDerWaalsContact O-CB 3.24Å; E464-K468 WeakPolarHBondContact O-CB 3.43Å; E464-K468 PolarHBondContact O-N 2.84Å |
| 465 | E | 87.5 | Confident | 86.9 | Confident | 100 Ų | 100 | 108.6 Ų | 108.6 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 172.2 | -86.9 | -157.2 | -137.5 | 0 | 0 | 112.9 | R461 L462 Q463 K468 R469 | R461-E465 WeakPolarHBondContact O-CB 3.22Å; R461-E465 PolarHBondContact O-N 3.48Å; L462-E465 WeakPolarHBondContact O-CB 3.1Å; L462-E465 PolarHBondContact O-N 3.37Å; Q463-E465 VanDerWaalsContact C-N 3.34Å; E465-K468 PolarHBondContact O-N 2.87Å; E465-R469 WeakPolarHBondContact O-CB 3.18Å; E465-R469 WeakPolarHBondContact O-CD 3.35Å; E465-R469 WeakPolarHBondContact O-CG 3.34Å; E465-R469 PolarHBondContact O-N 3.34Å; E465-R469 IonicContact OE2-CZ 2.74Å; E465-R469 IonicContact OE2-NE 3.75Å; E465-R469 PolarHBondContact OE2-NE 2.91Å; E465-R469 IonicContact OE2-NH2 3.42Å; E465-R469 PolarHBondContact OE2-NH2 3.22Å |
| 466 | E | 84.3 | Confident | 86.6 | Confident | 107 Ų | 107 | 112.5 Ų | 112.5 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 177.5 | -73.6 | -168 | 155.9 | 0 | 0 | 112 | L462 Q463 K468 R469 M470 | L462-E466 PolarHBondContact O-N 2.83Å; Q463-E466 PolarHBondContact O-N 2.8Å; E466-K468 VanDerWaalsContact C-N 3.3Å; E466-K468 PolarHBondContact O-N 3.25Å; E466-R469 PolarHBondContact O-N 3.15Å; E466-M470 WeakPolarHBondContact O-CG 3.5Å; E466-M470 PolarHBondContact O-N 3.29Å |
| 467 | L | 85.5 | Confident | 86.7 | Confident | 102 Ų | 102 | 109.9 Ų | 109.9 | 53% | 0.534 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.8 | -44.3 | 171.8 | -73 | 167 | 0 | 0 | 0 | 111.4 | Q463 M470 S471 | Q463-L467 WeakPolarHBondContact O-CB 3.26Å; Q463-L467 WeakPolarHBondContact O-CG 3.15Å; Q463-L467 PolarHBondContact O-N 3.46Å; L467-M470 HydrophobicContact CD2-CE 3.93Å; L467-M470 PolarHBondContact O-N 2.87Å; L467-S471 WeakPolarHBondContact O-CB 3.31Å; L467-S471 PolarHBondContact O-N 3.31Å |
| 468 | K | 88.1 | Confident | 86.7 | Confident | 145 Ų | 145 | 107.5 Ų | 107.5 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.9 | -37.7 | 177.5 | -168.5 | 169.6 | -174.6 | 173.2 | 0 | 112.6 | E464 E465 E466 N472 | E464-K468 VanDerWaalsContact O-CB 3.24Å; E464-K468 WeakPolarHBondContact O-CB 3.43Å; E464-K468 PolarHBondContact O-N 2.84Å; E465-K468 PolarHBondContact O-N 2.87Å; E466-K468 VanDerWaalsContact C-N 3.3Å; E466-K468 PolarHBondContact O-N 3.25Å; K468-N472 WeakPolarHBondContact O-CB 3.42Å; K468-N472 PolarHBondContact O-N 3.17Å; K468-N472 PolarHBondContact O-ND2 2.93Å |
| 469 | R | 85 | Confident | 86.6 | Confident | 141 Ų | 141 | 107.5 Ų | 107.5 | 53% | 0.532 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 173.9 | -71.7 | 163.3 | -170.7 | -159.5 | 6.2 | 111 | E465 E466 N472 M473 | E465-R469 WeakPolarHBondContact O-CB 3.18Å; E465-R469 WeakPolarHBondContact O-CD 3.35Å; E465-R469 WeakPolarHBondContact O-CG 3.34Å; E465-R469 PolarHBondContact O-N 3.34Å; E465-R469 IonicContact OE2-CZ 2.74Å; E465-R469 IonicContact OE2-NE 3.75Å; E465-R469 PolarHBondContact OE2-NE 2.91Å; E465-R469 IonicContact OE2-NH2 3.42Å; E465-R469 PolarHBondContact OE2-NH2 3.22Å; E466-R469 PolarHBondContact O-N 3.15Å; R469-N472 PolarHBondContact O-N 2.97Å; R469-M473 WeakPolarHBondContact O-CB 3.49Å; R469-M473 WeakPolarHBondContact O-CG 3.33Å; R469-M473 PolarHBondContact O-N 3.3Å |
| 470 | M | 79.9 | Confident | 86.5 | Confident | 101 Ų | 101 | 109.5 Ų | 109.5 | 50% | 0.498 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 174.5 | -72.7 | -164.3 | -65.7 | 0 | 0 | 112 | E466 L467 N472 M473 Q474 | E466-M470 WeakPolarHBondContact O-CG 3.5Å; E466-M470 PolarHBondContact O-N 3.29Å; L467-M470 HydrophobicContact CD2-CE 3.93Å; L467-M470 PolarHBondContact O-N 2.87Å; M470-N472 PolarHBondContact O-N 2.94Å; M470-M473 CarbonylContact O-C 3.58Å; M470-M473 PolarHBondContact O-N 3.48Å; M470-M473 VanDerWaalsContact O-N 3.12Å; M470-Q474 WeakPolarHBondContact O-CG 3.42Å; M470-Q474 PolarHBondContact O-N 2.9Å |
| 471 | S | 84.3 | Confident | 86.4 | Confident | 49 Ų | 49 | 104.9 Ų | 104.9 | 34% | 0.343 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.2 | -49 | 173.4 | 157.8 | 0 | 0 | 0 | 0 | 111.7 | L467 M473 Q474 E475 | L467-S471 WeakPolarHBondContact O-CB 3.31Å; L467-S471 PolarHBondContact O-N 3.31Å; S471-M473 VanDerWaalsContact C-N 3.26Å; S471-M473 PolarHBondContact O-N 2.88Å; S471-Q474 PolarHBondContact O-N 3.39Å; S471-Q474 VanDerWaalsContact O-N 3.15Å; S471-E475 WeakPolarHBondContact O-CG 3.31Å; S471-E475 PolarHBondContact O-N 3.32Å |
| 472 | N | 84.9 | Confident | 86.2 | Confident | 64 Ų | 64 | 103.5 Ų | 103.5 | 34% | 0.342 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -33.2 | 175.2 | -85.3 | -98 | 0 | 0 | 0 | 112.8 | K468 R469 M470 R476 | K468-N472 WeakPolarHBondContact O-CB 3.42Å; K468-N472 PolarHBondContact O-N 3.17Å; K468-N472 PolarHBondContact O-ND2 2.93Å; R469-N472 PolarHBondContact O-N 2.97Å; M470-N472 PolarHBondContact O-N 2.94Å; N472-R476 WeakPolarHBondContact O-CB 3.46Å; N472-R476 WeakPolarHBondContact O-CD 3.24Å; N472-R476 WeakPolarHBondContact O-CG 3.36Å; N472-R476 PolarHBondContact O-N 3.28Å; N472-R476 VanDerWaalsContact O-N 3.14Å |
| 473 | M | 82.3 | Confident | 86.2 | Confident | 131 Ų | 131 | 102.3 Ų | 102.3 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.7 | -37.9 | 175 | -77 | -179.5 | 61.7 | 0 | 0 | 112.4 | R469 M470 S471 R476 A477 | R469-M473 WeakPolarHBondContact O-CB 3.49Å; R469-M473 WeakPolarHBondContact O-CG 3.33Å; R469-M473 PolarHBondContact O-N 3.3Å; M470-M473 CarbonylContact O-C 3.58Å; M470-M473 PolarHBondContact O-N 3.48Å; M470-M473 VanDerWaalsContact O-N 3.12Å; S471-M473 VanDerWaalsContact C-N 3.26Å; S471-M473 PolarHBondContact O-N 2.88Å; M473-R476 PolarHBondContact O-N 3.14Å; M473-A477 WeakPolarHBondContact O-CB 3.37Å; M473-A477 PolarHBondContact O-N 3.18Å |
| 474 | Q | 82.6 | Confident | 86.3 | Confident | 136 Ų | 136 | 101 Ų | 101 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.1 | -43.5 | 174.4 | -72.2 | 169.4 | -3 | 0 | 0 | 111.2 | M470 S471 A477 A478 | M470-Q474 WeakPolarHBondContact O-CG 3.42Å; M470-Q474 PolarHBondContact O-N 2.9Å; S471-Q474 PolarHBondContact O-N 3.39Å; S471-Q474 VanDerWaalsContact O-N 3.15Å; Q474-A477 PolarHBondContact O-N 3.33Å; Q474-A478 WeakPolarHBondContact O-CB 3.18Å; Q474-A478 PolarHBondContact O-N 2.83Å |
| 475 | E | 86 | Confident | 86.2 | Confident | 123 Ų | 123 | 103.3 Ų | 103.3 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.8 | -46.2 | 173.5 | -73.1 | 179.3 | 174.8 | 0 | 0 | 111.9 | S471 A477 A478 Q479 | S471-E475 WeakPolarHBondContact O-CG 3.31Å; S471-E475 PolarHBondContact O-N 3.32Å; E475-A477 PolarHBondContact O-N 3.17Å; E475-A478 PolarHBondContact O-N 3.41Å; E475-Q479 WeakPolarHBondContact O-CB 3.24Å; E475-Q479 PolarHBondContact O-N 3.19Å |
| 476 | R | 85.2 | Confident | 86.2 | Confident | 173 Ų | 173 | 103.3 Ų | 103.3 | 65% | 0.653 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.9 | -41 | 175.8 | -73.1 | 170.1 | -173.2 | -163.5 | 2 | 112.3 | N472 M473 Q479 V480 | N472-R476 WeakPolarHBondContact O-CB 3.46Å; N472-R476 WeakPolarHBondContact O-CD 3.24Å; N472-R476 WeakPolarHBondContact O-CG 3.36Å; N472-R476 PolarHBondContact O-N 3.28Å; N472-R476 VanDerWaalsContact O-N 3.14Å; M473-R476 PolarHBondContact O-N 3.14Å; R476-Q479 PolarHBondContact O-N 3.48Å; R476-V480 WeakPolarHBondContact O-CG2 3.45Å; R476-V480 PolarHBondContact O-N 3.23Å |
| 477 | A | 86.6 | Confident | 86.5 | Confident | 62 Ų | 62 | 100.7 Ų | 100.7 | 51% | 0.512 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M473 Q474 E475 Q479 V480 A481 | M473-A477 WeakPolarHBondContact O-CB 3.37Å; M473-A477 PolarHBondContact O-N 3.18Å; Q474-A477 PolarHBondContact O-N 3.33Å; E475-A477 PolarHBondContact O-N 3.17Å; A477-Q479 VanDerWaalsContact C-N 3.33Å; A477-Q479 PolarHBondContact O-N 2.95Å; A477-V480 PolarHBondContact O-N 2.84Å; A477-A481 WeakPolarHBondContact O-CB 3.34Å; A477-A481 PolarHBondContact O-N 3.14Å |
| 478 | A | 86.8 | Confident | 86.7 | Confident | 48 Ų | 48 | 103.6 Ų | 103.6 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -33.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q474 E475 K482 | Q474-A478 WeakPolarHBondContact O-CB 3.18Å; Q474-A478 PolarHBondContact O-N 2.83Å; E475-A478 PolarHBondContact O-N 3.41Å; A478-K482 WeakPolarHBondContact O-CG 3.43Å; A478-K482 PolarHBondContact O-N 3.27Å |
| 479 | Q | 88.7 | Confident | 86.8 | Confident | 92 Ų | 92 | 98.9 Ų | 98.9 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68 | -49.5 | 172.6 | -177.3 | 54.9 | 38.9 | 0 | 0 | 111.3 | E475 R476 A477 A481 K482 D483 | E475-Q479 WeakPolarHBondContact O-CB 3.24Å; E475-Q479 PolarHBondContact O-N 3.19Å; R476-Q479 PolarHBondContact O-N 3.48Å; A477-Q479 VanDerWaalsContact C-N 3.33Å; A477-Q479 PolarHBondContact O-N 2.95Å; Q479-A481 VanDerWaalsContact C-N 3.27Å; Q479-A481 PolarHBondContact O-N 2.95Å; Q479-K482 WeakPolarHBondContact O-CB 3.34Å; Q479-K482 PolarHBondContact O-N 3.36Å; Q479-K482 VanDerWaalsContact O-N 3.1Å; Q479-D483 PolarHBondContact NE2-OD1 3.04Å; Q479-D483 PolarHBondContact NE2-OD2 2.92Å; Q479-D483 PolarHBondContact O-N 2.83Å |
| 480 | V | 88.4 | Confident | 87 | Confident | 97 Ų | 97 | 96.7 Ų | 96.7 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.4 | -38.1 | 176.6 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | R476 A477 D483 E484 | R476-V480 WeakPolarHBondContact O-CG2 3.45Å; R476-V480 PolarHBondContact O-N 3.23Å; A477-V480 PolarHBondContact O-N 2.84Å; V480-D483 PolarHBondContact O-N 3.48Å; V480-E484 WeakPolarHBondContact O-CB 3.33Å; V480-E484 PolarHBondContact O-N 3.38Å |
| 481 | A | 88.3 | Confident | 87.2 | Confident | 58 Ų | 58 | 97.9 Ų | 97.9 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A477 Q479 E484 E485 | A477-A481 WeakPolarHBondContact O-CB 3.34Å; A477-A481 PolarHBondContact O-N 3.14Å; Q479-A481 VanDerWaalsContact C-N 3.27Å; Q479-A481 PolarHBondContact O-N 2.95Å; A481-E484 PolarHBondContact O-N 3.02Å; A481-E485 PolarHBondContact O-N 3.43Å |
| 482 | K | 88.6 | Confident | 87.4 | Confident | 123 Ų | 123 | 100.4 Ų | 100.4 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 173.9 | -70 | 168 | -176.1 | 173.6 | 0 | 111.6 | A478 Q479 E484 E485 I486 | A478-K482 WeakPolarHBondContact O-CG 3.43Å; A478-K482 PolarHBondContact O-N 3.27Å; Q479-K482 WeakPolarHBondContact O-CB 3.34Å; Q479-K482 PolarHBondContact O-N 3.36Å; Q479-K482 VanDerWaalsContact O-N 3.1Å; K482-E484 VanDerWaalsContact C-N 3.29Å; K482-E484 PolarHBondContact O-N 3.35Å; K482-E485 PolarHBondContact O-N 2.9Å; K482-I486 VanDerWaalsContact O-CG1 3.32Å; K482-I486 WeakPolarHBondContact O-CG1 3.36Å; K482-I486 PolarHBondContact O-N 2.81Å |
| 483 | D | 91.1 | Very high | 87.4 | Confident | 77 Ų | 77 | 102.9 Ų | 102.9 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -34.1 | 179.5 | -65.6 | -32.3 | 0 | 0 | 0 | 111.3 | Q479 V480 A487 | Q479-D483 PolarHBondContact NE2-OD1 3.04Å; Q479-D483 PolarHBondContact NE2-OD2 2.92Å; Q479-D483 PolarHBondContact O-N 2.83Å; V480-D483 PolarHBondContact O-N 3.48Å; D483-A487 WeakPolarHBondContact O-CB 3.42Å; D483-A487 PolarHBondContact O-N 2.84Å |
| 484 | E | 87.4 | Confident | 87.7 | Confident | 99 Ų | 99 | 102.4 Ų | 102.4 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 171.4 | -155.5 | -161.2 | 149.2 | 0 | 0 | 112.3 | V480 A481 K482 A487 R488 | V480-E484 WeakPolarHBondContact O-CB 3.33Å; V480-E484 PolarHBondContact O-N 3.38Å; A481-E484 PolarHBondContact O-N 3.02Å; K482-E484 VanDerWaalsContact C-N 3.29Å; K482-E484 PolarHBondContact O-N 3.35Å; E484-A487 PolarHBondContact O-N 3.3Å; E484-R488 WeakPolarHBondContact O-CB 3.31Å; E484-R488 VanDerWaalsContact O-CG 3.25Å; E484-R488 WeakPolarHBondContact O-CG 3.39Å; E484-R488 PolarHBondContact O-N 3.32Å; E484-R488 IonicContact OE1-CZ 2.67Å; E484-R488 IonicContact OE1-NE 3.6Å; E484-R488 PolarHBondContact OE1-NE 3.09Å; E484-R488 IonicContact OE1-NH2 3.5Å; E484-R488 PolarHBondContact OE1-NH2 3.48Å; E484-R488 IonicContact OE2-NH2 3.62Å |
| 485 | E | 88.2 | Confident | 87.9 | Confident | 141 Ų | 141 | 102 Ų | 102 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 174.9 | -168.9 | -175.8 | 176.3 | 0 | 0 | 111.6 | A481 K482 R488 S489 | A481-E485 PolarHBondContact O-N 3.43Å; K482-E485 PolarHBondContact O-N 2.9Å; E485-R488 PolarHBondContact O-N 2.9Å; E485-S489 WeakPolarHBondContact O-CB 3.12Å; E485-S489 PolarHBondContact O-N 3Å |
| 486 | I | 88.8 | Confident | 87.8 | Confident | 100 Ų | 100 | 101 Ų | 101 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 175.1 | -68.4 | 165.1 | 0 | 0 | 0 | 110.4 | K482 R488 S489 L490 | K482-I486 VanDerWaalsContact O-CG1 3.32Å; K482-I486 WeakPolarHBondContact O-CG1 3.36Å; K482-I486 PolarHBondContact O-N 2.81Å; I486-R488 PolarHBondContact O-N 3.45Å; I486-S489 WeakPolarHBondContact O-CB 3.38Å; I486-S489 PolarHBondContact O-N 2.79Å; I486-L490 PolarHBondContact O-N 2.67Å |
| 487 | A | 90 | Very high | 87.6 | Confident | 53 Ų | 53 | 98.4 Ų | 98.4 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D483 E484 L490 M491 | D483-A487 WeakPolarHBondContact O-CB 3.42Å; D483-A487 PolarHBondContact O-N 2.84Å; E484-A487 PolarHBondContact O-N 3.3Å; A487-L490 PolarHBondContact O-N 2.76Å; A487-M491 WeakPolarHBondContact O-CB 3.31Å; A487-M491 PolarHBondContact O-N 2.76Å |
| 488 | R | 88.9 | Confident | 87 | Confident | 162 Ų | 162 | 103.4 Ų | 103.4 | 61% | 0.611 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -42.9 | 173.3 | -72.2 | 170 | 178.6 | -153 | 7.8 | 111.4 | E484 E485 I486 M491 E492 | E484-R488 WeakPolarHBondContact O-CB 3.31Å; E484-R488 VanDerWaalsContact O-CG 3.25Å; E484-R488 WeakPolarHBondContact O-CG 3.39Å; E484-R488 PolarHBondContact O-N 3.32Å; E484-R488 IonicContact OE1-CZ 2.67Å; E484-R488 IonicContact OE1-NE 3.6Å; E484-R488 PolarHBondContact OE1-NE 3.09Å; E484-R488 IonicContact OE1-NH2 3.5Å; E484-R488 PolarHBondContact OE1-NH2 3.48Å; E484-R488 IonicContact OE2-NH2 3.62Å; E485-R488 PolarHBondContact O-N 2.9Å; I486-R488 PolarHBondContact O-N 3.45Å; R488-M491 PolarHBondContact O-N 3.17Å; R488-E492 WeakPolarHBondContact O-CB 3.16Å; R488-E492 PolarHBondContact O-N 3.3Å |
| 489 | S | 89.9 | Confident | 86.4 | Confident | 47 Ų | 47 | 108.6 Ų | 108.6 | 33% | 0.329 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 177.1 | -169.8 | 0 | 0 | 0 | 0 | 112.4 | E485 I486 K493 | E485-S489 WeakPolarHBondContact O-CB 3.12Å; E485-S489 PolarHBondContact O-N 3Å; I486-S489 WeakPolarHBondContact O-CB 3.38Å; I486-S489 PolarHBondContact O-N 2.79Å; S489-K493 WeakPolarHBondContact O-CD 3.49Å; S489-K493 VanDerWaalsContact O-CG 3.26Å; S489-K493 WeakPolarHBondContact O-CG 3.21Å; S489-K493 PolarHBondContact O-N 3.31Å; S489-K493 PolarHBondContact OG-NZ 2.84Å |
| 490 | L | 89.8 | Confident | 85.7 | Confident | 95 Ų | 95 | 111.4 Ų | 111.4 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -53.9 | 174.4 | -104.2 | 161.5 | 0 | 0 | 0 | 111.4 | I486 A487 E492 K493 E494 | I486-L490 PolarHBondContact O-N 2.67Å; A487-L490 PolarHBondContact O-N 2.76Å; L490-E492 VanDerWaalsContact C-N 3.25Å; L490-E492 PolarHBondContact O-N 2.77Å; L490-K493 WeakPolarHBondContact O-CB 3.34Å; L490-K493 PolarHBondContact O-N 3.05Å; L490-E494 PolarHBondContact O-N 2.95Å |
| 491 | M | 85.1 | Confident | 84.8 | Confident | 126 Ų | 126 | 113.4 Ų | 113.4 | 62% | 0.621 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60 | -35.2 | 179.1 | -170.9 | -170.4 | -62.4 | 0 | 0 | 112.2 | A487 R488 K495 | A487-M491 WeakPolarHBondContact O-CB 3.31Å; A487-M491 PolarHBondContact O-N 2.76Å; R488-M491 PolarHBondContact O-N 3.17Å; M491-K495 WeakPolarHBondContact O-CB 3.48Å; M491-K495 PolarHBondContact O-N 3.01Å |
| 492 | E | 87.3 | Confident | 83.9 | Confident | 101 Ų | 101 | 120.1 Ų | 120.1 | 47% | 0.472 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.8 | -33.7 | 176.6 | -150.1 | -146.2 | 175.2 | 0 | 0 | 112.6 | R488 L490 K496 | R488-E492 WeakPolarHBondContact O-CB 3.16Å; R488-E492 PolarHBondContact O-N 3.3Å; L490-E492 VanDerWaalsContact C-N 3.25Å; L490-E492 PolarHBondContact O-N 2.77Å; E492-K496 WeakPolarHBondContact O-CB 3.42Å; E492-K496 WeakPolarHBondContact O-CD 3.27Å; E492-K496 VanDerWaalsContact O-CG 3.22Å; E492-K496 WeakPolarHBondContact O-CG 3.39Å; E492-K496 PolarHBondContact O-N 3.09Å; E492-K496 WeakPolarHBondContact OE1-CE 3.37Å; E492-K496 IonicContact OE1-NZ 3.35Å; E492-K496 PolarHBondContact OE1-NZ 3.23Å; E492-K496 IonicContact OE2-NZ 2.67Å; E492-K496 PolarHBondContact OE2-NZ 3.1Å |
| 493 | K | 86.5 | Confident | 82.1 | Confident | 116 Ų | 116 | 124.8 Ų | 124.8 | 50% | 0.504 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66 | -51.4 | 172.2 | -72.3 | 161.4 | -174.4 | 161.6 | 0 | 111 | S489 L490 K495 K496 E497 | S489-K493 WeakPolarHBondContact O-CD 3.49Å; S489-K493 VanDerWaalsContact O-CG 3.26Å; S489-K493 WeakPolarHBondContact O-CG 3.21Å; S489-K493 PolarHBondContact O-N 3.31Å; S489-K493 PolarHBondContact OG-NZ 2.84Å; L490-K493 WeakPolarHBondContact O-CB 3.34Å; L490-K493 PolarHBondContact O-N 3.05Å; K493-K495 VanDerWaalsContact C-N 3.26Å; K493-K495 PolarHBondContact O-N 3.15Å; K493-K496 CarbonylContact O-C 3.59Å; K493-K496 WeakPolarHBondContact O-CA 3.4Å; K493-K496 WeakPolarHBondContact O-CB 3.3Å; K493-K496 PolarHBondContact O-N 3.48Å; K493-E497 PolarHBondContact O-N 3.47Å |
| 494 | E | 87.3 | Confident | 81.7 | Confident | 121 Ų | 121 | 127.2 Ų | 127.2 | 57% | 0.565 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -54.8 | -43 | 174.8 | -69.2 | 178.8 | 158.8 | 0 | 0 | 111.6 | L490 K496 E497 Y498 | L490-E494 PolarHBondContact O-N 2.95Å; E494-K496 VanDerWaalsContact C-N 3.32Å; E494-K496 PolarHBondContact O-N 3.17Å; E494-E497 PolarHBondContact O-N 3.27Å; E494-Y498 VanDerWaalsContact O-CB 3.3Å; E494-Y498 WeakPolarHBondContact O-CB 3.26Å; E494-Y498 PolarHBondContact O-N 3.36Å |
| 495 | K | 88.1 | Confident | 81.4 | Confident | 129 Ų | 129 | 128.6 Ų | 128.6 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.2 | -25.7 | 177.6 | -171.4 | 174.1 | -174.6 | 174.3 | 0 | 113.6 | M491 K493 R499 | M491-K495 WeakPolarHBondContact O-CB 3.48Å; M491-K495 PolarHBondContact O-N 3.01Å; K493-K495 VanDerWaalsContact C-N 3.26Å; K493-K495 PolarHBondContact O-N 3.15Å; K495-R499 WeakPolarHBondContact O-CD 3.48Å; K495-R499 VanDerWaalsContact O-CG 3.29Å; K495-R499 WeakPolarHBondContact O-CG 3.27Å |
| 496 | K | 83.8 | Confident | 81 | Confident | 102 Ų | 102 | 127.9 Ų | 127.9 | 44% | 0.443 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -78.7 | -39.1 | 171.4 | -77 | 164.6 | 178.8 | 168.1 | 0 | 111.2 | E492 K493 E494 R499 K500 | E492-K496 WeakPolarHBondContact O-CB 3.42Å; E492-K496 WeakPolarHBondContact O-CD 3.27Å; E492-K496 VanDerWaalsContact O-CG 3.22Å; E492-K496 WeakPolarHBondContact O-CG 3.39Å; E492-K496 PolarHBondContact O-N 3.09Å; E492-K496 WeakPolarHBondContact OE1-CE 3.37Å; E492-K496 IonicContact OE1-NZ 3.35Å; E492-K496 PolarHBondContact OE1-NZ 3.23Å; E492-K496 IonicContact OE2-NZ 2.67Å; E492-K496 PolarHBondContact OE2-NZ 3.1Å; K493-K496 CarbonylContact O-C 3.59Å; K493-K496 WeakPolarHBondContact O-CA 3.4Å; K493-K496 WeakPolarHBondContact O-CB 3.3Å; K493-K496 PolarHBondContact O-N 3.48Å; E494-K496 VanDerWaalsContact C-N 3.32Å; E494-K496 PolarHBondContact O-N 3.17Å; K496-R499 PolarHBondContact O-N 3.44Å; K496-K500 WeakPolarHBondContact O-CG 3.39Å; K496-K500 PolarHBondContact O-N 3.17Å; K496-K500 VanDerWaalsContact O-N 3.07Å |
| 497 | E | 79.4 | Confident | 80.6 | Confident | 117 Ų | 117 | 129.6 Ų | 129.6 | 55% | 0.547 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.9 | -41.6 | 176.4 | -70.3 | -179.5 | 174.4 | 0 | 0 | 112.2 | K493 E494 R499 K500 N501 | K493-E497 PolarHBondContact O-N 3.47Å; E494-E497 PolarHBondContact O-N 3.27Å; E497-R499 PolarHBondContact O-N 2.84Å; E497-K500 CarbonylContact O-C 3.58Å; E497-K500 PolarHBondContact O-N 3.17Å; E497-K500 VanDerWaalsContact O-N 3.08Å; E497-N501 WeakPolarHBondContact O-CB 3.14Å; E497-N501 VanDerWaalsContact O-CG 3.32Å; E497-N501 PolarHBondContact O-N 2.92Å |
| 498 | Y | 74.1 | Confident | 80 | Confident | 167 Ų | 167 | 134.4 Ų | 134.4 | 66% | 0.655 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.8 | -26 | 173 | -172.9 | -94.8 | 0 | 0 | 0 | 113.1 | E494 R502 | E494-Y498 VanDerWaalsContact O-CB 3.3Å; E494-Y498 WeakPolarHBondContact O-CB 3.26Å; E494-Y498 PolarHBondContact O-N 3.36Å; Y498-R502 WeakPolarHBondContact O-CB 3.45Å |
| 499 | R | 75.8 | Confident | 79.4 | Confident | 158 Ų | 158 | 132.5 Ų | 132.5 | 60% | 0.596 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.8 | -49.5 | 169.5 | -75.3 | 170.6 | 174 | -167.4 | -4.9 | 111.2 | K495 K496 E497 N501 R502 E503 | K495-R499 WeakPolarHBondContact O-CD 3.48Å; K495-R499 VanDerWaalsContact O-CG 3.29Å; K495-R499 WeakPolarHBondContact O-CG 3.27Å; K496-R499 PolarHBondContact O-N 3.44Å; E497-R499 PolarHBondContact O-N 2.84Å; R499-N501 PolarHBondContact O-N 2.84Å; R499-R502 PolarHBondContact O-N 3.39Å; R499-E503 PolarHBondContact O-N 2.96Å; R499-E503 VanDerWaalsContact O-N 3.17Å |
| 500 | K | 73.4 | Confident | 78.6 | Confident | 151 Ų | 151 | 138.6 Ų | 138.6 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.3 | -28.2 | 177 | -73 | 179.5 | 174.6 | -175.1 | 0 | 114.5 | K496 E497 R502 | K496-K500 WeakPolarHBondContact O-CG 3.39Å; K496-K500 PolarHBondContact O-N 3.17Å; K496-K500 VanDerWaalsContact O-N 3.07Å; E497-K500 CarbonylContact O-C 3.58Å; E497-K500 PolarHBondContact O-N 3.17Å; E497-K500 VanDerWaalsContact O-N 3.08Å; K500-R502 VanDerWaalsContact C-N 3.29Å |
| 501 | N | 69.3 | Low | 77.8 | Confident | 139 Ų | 139 | 142 Ų | 142 | 74% | 0.743 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 5.9 | 177.9 | -65.1 | -6.4 | 0 | 0 | 0 | 113 | E497 R499 | E497-N501 WeakPolarHBondContact O-CB 3.14Å; E497-N501 VanDerWaalsContact O-CG 3.32Å; E497-N501 PolarHBondContact O-N 2.92Å; R499-N501 PolarHBondContact O-N 2.84Å |
| 502 | R | 69.3 | Low | 77.2 | Confident | 199 Ų | 199 | 143.3 Ų | 143.3 | 75% | 0.751 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | -17.9 | -179.5 | 174 | 175.8 | 165.9 | -179.6 | -3.3 | 112.8 | Y498 R499 K500 | Y498-R502 WeakPolarHBondContact O-CB 3.45Å; R499-R502 PolarHBondContact O-N 3.39Å; K500-R502 VanDerWaalsContact C-N 3.29Å |
| 503 | E | 51.6 | Low | 76.2 | Confident | 220 Ų | 220 | 147.2 Ų | 147.2 | 100% | 1.028 | 64% | 0.641 | S | S | * | * | trans | -84.1 | 0 | 164.7 | -68.9 | 174.8 | 171.2 | 0 | 0 | 110.5 | R499 | R499-E503 PolarHBondContact O-N 2.96Å; R499-E503 VanDerWaalsContact O-N 3.17Å |
Retrieved 503 of 503 residues in 260.2 ms
(Link to these results)