| 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 | 57.2 | Low | 79.3 | Confident | 243 Ų | 243 | 157.5 Ų | 157.5 | 100% | 1.197 | 79% | 0.785 | S | S | * | * | 0 | 95.6 | 0 | -75.2 | -66 | -140.3 | 0 | 0 | 108.6 | |||||
| 2 | G | 75.4 | Confident | 80.3 | Confident | 75 Ų | 75 | 150.8 Ų | 150.8 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 144.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R4 | G2-R4 PolarHBondContact O-N 3.25Š|
| 3 | K | 75.1 | Confident | 81.1 | Confident | 212 Ų | 212 | 145 Ų | 145 | 92% | 0.922 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -62 | 124.9 | 175.8 | -66.2 | 171.8 | -177.6 | 176.5 | 0 | 108.8 | ||
| 4 | R | 79.4 | Confident | 81.6 | Confident | 221 Ų | 221 | 141.9 Ų | 141.9 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 134.5 | 172.3 | -76.4 | -177.2 | -95.8 | 105.9 | -5.1 | 108.8 | G2 N6 | G2-R4 PolarHBondContact O-N 3.25Å; R4-N6 PolarHBondContact O-N 3.22Å |
| 5 | D | 81.8 | Confident | 82.2 | Confident | 107 Ų | 107 | 134.8 Ų | 134.8 | 57% | 0.572 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 126.1 | 179.7 | -156.7 | -15.4 | 0 | 0 | 0 | 109.9 | R7 | D5-R7 VanDerWaalsContact C-N 3.35Å; D5-R7 VanDerWaalsContact CG-NE 3.35Å; D5-R7 WeakPolarHBondContact OD1-CG 3.5Å; D5-R7 PolarHBondContact OD1-N 3.36Å; D5-R7 IonicContact OD1-NE 2.84Å; D5-R7 PolarHBondContact OD1-NE 3.25Å; D5-R7 VanDerWaalsContact OD1-NE 3.11Å; D5-R7 IonicContact OD2-CZ 3.8Å; D5-R7 IonicContact OD2-NE 2.87Å; D5-R7 PolarHBondContact OD2-NE 3.34Å; D5-R7 IonicContact OD2-NH2 2.76Å; D5-R7 PolarHBondContact OD2-NH2 3.11Å |
| 6 | N | 81.4 | Confident | 82.7 | Confident | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 67% | 0.674 | S | S | * | * | trans | -94.1 | 8 | -177.5 | -72.6 | -29.7 | 0 | 0 | 0 | 112.5 | R4 V8 | R4-N6 PolarHBondContact O-N 3.22Å; N6-V8 PolarHBondContact O-N 3.45Å | ||
| 7 | R | 83.1 | Confident | 82.9 | Confident | 205 Ų | 205 | 127.9 Ų | 127.9 | 77% | 0.774 | 67% | 0.667 | S | S | * | * | trans | -64.9 | 102.8 | 176.6 | -72.9 | -176.3 | -75.1 | 176.5 | -1.9 | 109.5 | D5 A9 | D5-R7 VanDerWaalsContact C-N 3.35Å; D5-R7 VanDerWaalsContact CG-NE 3.35Å; D5-R7 WeakPolarHBondContact OD1-CG 3.5Å; D5-R7 PolarHBondContact OD1-N 3.36Å; D5-R7 IonicContact OD1-NE 2.84Å; D5-R7 PolarHBondContact OD1-NE 3.25Å; D5-R7 VanDerWaalsContact OD1-NE 3.11Å; D5-R7 IonicContact OD2-CZ 3.8Å; D5-R7 IonicContact OD2-NE 2.87Å; D5-R7 PolarHBondContact OD2-NE 3.34Å; D5-R7 IonicContact OD2-NH2 2.76Å; D5-R7 PolarHBondContact OD2-NH2 3.11Å; R7-A9 PolarHBondContact O-N 3.38Å | ||
| 8 | V | 78.8 | Confident | 83.2 | Confident | 139 Ų | 139 | 132 Ų | 132 | 84% | 0.842 | 67% | 0.672 | S | S | * | * | trans | -66 | 115.9 | 170.7 | 180 | 0 | 0 | 0 | 0 | 107.2 | N6 Y10 | N6-V8 PolarHBondContact O-N 3.45Å; V8-Y10 PolarHBondContact O-N 3.38Å | ||
| 9 | A | 82.4 | Confident | 83.4 | Confident | 73 Ų | 73 | 137.1 Ų | 137.1 | 60% | 0.603 | 68% | 0.682 | S | S | * | * | trans | -62.4 | 111.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | R7 M11 | R7-A9 PolarHBondContact O-N 3.38Å; A9-M11 HydrophobicContact CB-CE 4.03Å; A9-M11 PolarHBondContact O-N 3.14Å | ||
| 10 | Y | 87 | Confident | 83.5 | Confident | 190 Ų | 190 | 139.9 Ų | 139.9 | 75% | 0.745 | 68% | 0.684 | S | S | * | * | trans | -70.4 | 103.9 | 176.1 | 178.7 | -103.2 | 0 | 0 | 0 | 109 | V8 | V8-Y10 PolarHBondContact O-N 3.38Š| ||
| 11 | M | 90.5 | Very high | 83.4 | Confident | 121 Ų | 121 | 135 Ų | 135 | 60% | 0.596 | 67% | 0.669 | S | S | * | * | trans | -86.3 | 125.9 | 173.6 | -70.5 | -64.2 | 101.8 | 0 | 0 | 109.7 | A9 P13 M16 | A9-M11 HydrophobicContact CB-CE 4.03Å; A9-M11 PolarHBondContact O-N 3.14Å; M11-P13 WeakPolarHBondContact O-CD 3.41Å; M11-M16 HydrophobicContact CB-CG 4.22Å; M11-M16 HydrophobicContact CB-SD 4.36Å | ||
| 12 | N | 91.5 | Very high | 84.5 | Confident | 78 Ų | 78 | 129.5 Ų | 129.5 | 42% | 0.417 | 65% | 0.652 | S | S | . | * | trans | -63.4 | 116.4 | 178.2 | -178.7 | -16.4 | 0 | 0 | 0 | 109.6 | I14 A15 M16 | N12-I14 PolarHBondContact O-N 3.45Å; N12-I14 VanDerWaalsContact OD1-CB 3.31Å; N12-I14 WeakPolarHBondContact OD1-CB 3.38Å; N12-I14 PolarHBondContact OD1-N 3.44Å; N12-A15 HydrophobicContact CB-CB 3.94Å; N12-A15 WeakPolarHBondContact O-CB 3.02Å; N12-A15 PolarHBondContact O-N 3.45Å; N12-M16 PolarHBondContact O-N 3.24Å | ||
| 13 | P | 90.9 | Very high | 84.5 | Confident | 75 Ų | 75 | 132.2 Ų | 132.2 | 49% | 0.487 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63 | -29.1 | -177.4 | 25.1 | -34 | 0 | 0 | 0 | 112.5 | M11 M16 A17 | M11-P13 WeakPolarHBondContact O-CD 3.41Å; P13-M16 PolarHBondContact O-N 3.32Å; P13-A17 WeakPolarHBondContact O-CB 3.47Å; P13-A17 PolarHBondContact O-N 3.12Å |
| 14 | I | 88.3 | Confident | 84.5 | Confident | 101 Ų | 101 | 131 Ų | 131 | 52% | 0.518 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68 | -42 | 175.6 | -57.1 | 173.4 | 0 | 0 | 0 | 109.9 | N12 A17 R18 | N12-I14 PolarHBondContact O-N 3.45Å; N12-I14 VanDerWaalsContact OD1-CB 3.31Å; N12-I14 WeakPolarHBondContact OD1-CB 3.38Å; N12-I14 PolarHBondContact OD1-N 3.44Å; I14-A17 PolarHBondContact O-N 3.47Å; I14-R18 WeakPolarHBondContact O-CG 3.44Å; I14-R18 PolarHBondContact O-N 3.04Å; I14-R18 VanDerWaalsContact O-N 3.17Å |
| 15 | A | 89.8 | Confident | 84.5 | Confident | 36 Ų | 36 | 124.1 Ų | 124.1 | 30% | 0.298 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.2 | -47.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | N12 A17 R18 W19 | N12-A15 HydrophobicContact CB-CB 3.94Å; N12-A15 WeakPolarHBondContact O-CB 3.02Å; N12-A15 PolarHBondContact O-N 3.45Å; A15-A17 VanDerWaalsContact C-N 3.31Å; A15-A17 PolarHBondContact O-N 3.44Å; A15-R18 PolarHBondContact O-N 3.01Å; A15-R18 VanDerWaalsContact O-N 3.08Å; A15-W19 PolarHBondContact O-N 3.33Å |
| 16 | M | 90.2 | Very high | 84.7 | Confident | 87 Ų | 87 | 126.8 Ų | 126.8 | 43% | 0.429 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -56.1 | -43.4 | 176.7 | -72.6 | -118.5 | -58.6 | 0 | 0 | 112.7 | M11 N12 P13 R18 W19 R20 | M11-M16 HydrophobicContact CB-CG 4.22Å; M11-M16 HydrophobicContact CB-SD 4.36Å; N12-M16 PolarHBondContact O-N 3.24Å; P13-M16 PolarHBondContact O-N 3.32Å; M16-R18 VanDerWaalsContact C-N 3.31Å; M16-R18 PolarHBondContact O-N 3.35Å; M16-W19 PolarHBondContact O-N 3.22Å; M16-R20 WeakPolarHBondContact O-CB 3.46Å; M16-R20 WeakPolarHBondContact O-CG 3.36Å; M16-R20 PolarHBondContact O-N 3.21Å |
| 17 | A | 86.3 | Confident | 85 | Confident | 66 Ų | 66 | 121.7 Ų | 121.7 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.9 | -36.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P13 I14 A15 | P13-A17 WeakPolarHBondContact O-CB 3.47Å; P13-A17 PolarHBondContact O-N 3.12Å; I14-A17 PolarHBondContact O-N 3.47Å; A15-A17 VanDerWaalsContact C-N 3.31Å; A15-A17 PolarHBondContact O-N 3.44Å |
| 18 | R | 88.2 | Confident | 85.3 | Confident | 201 Ų | 201 | 115.2 Ų | 115.2 | 76% | 0.758 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.6 | -42.7 | 175.3 | -70 | 175.1 | 177.7 | 168.8 | -0.5 | 112.4 | I14 A15 M16 R20 G21 | I14-R18 WeakPolarHBondContact O-CG 3.44Å; I14-R18 PolarHBondContact O-N 3.04Å; I14-R18 VanDerWaalsContact O-N 3.17Å; A15-R18 PolarHBondContact O-N 3.01Å; A15-R18 VanDerWaalsContact O-N 3.08Å; M16-R18 VanDerWaalsContact C-N 3.31Å; M16-R18 PolarHBondContact O-N 3.35Å; R18-R20 PolarHBondContact O-N 3.34Å; R18-G21 PolarHBondContact O-N 3.34Å; R18-G21 VanDerWaalsContact O-N 3.14Å |
| 19 | W | 86.8 | Confident | 85.8 | Confident | 228 Ų | 228 | 111.2 Ų | 111.2 | 86% | 0.864 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.9 | -27.6 | 175.9 | -83.3 | 97.7 | 0 | 0 | 0 | 112.9 | A15 M16 G21 | A15-W19 PolarHBondContact O-N 3.33Å; M16-W19 PolarHBondContact O-N 3.22Å; W19-G21 PolarHBondContact O-N 3.44Å |
| 20 | R | 85.9 | Confident | 86.2 | Confident | 194 Ų | 194 | 114.1 Ų | 114.1 | 73% | 0.732 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -11.4 | 175.2 | -72.1 | -80.2 | -173.1 | -100.3 | -0.6 | 113.6 | M16 R18 | M16-R20 WeakPolarHBondContact O-CB 3.46Å; M16-R20 WeakPolarHBondContact O-CG 3.36Å; M16-R20 PolarHBondContact O-N 3.21Å; R18-R20 PolarHBondContact O-N 3.34Å |
| 21 | G | 80.8 | Confident | 86.4 | Confident | 36 Ų | 36 | 111.4 Ų | 111.4 | 37% | 0.371 | 60% | 0.597 | S | S | . | * | trans | 72.2 | -176.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R18 W19 T23 | R18-G21 PolarHBondContact O-N 3.34Å; R18-G21 VanDerWaalsContact O-N 3.14Å; W19-G21 PolarHBondContact O-N 3.44Å; G21-T23 PolarHBondContact O-N 3.41Å | ||
| 22 | P | 81.7 | Confident | 86.4 | Confident | 129 Ų | 129 | 109.4 Ų | 109.4 | 84% | 0.838 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -52 | 133.3 | 176.6 | -25.2 | 34.6 | 0 | 0 | 0 | 110.8 | Q24 | P22-Q24 PolarHBondContact O-N 2.75Š|
| 23 | T | 74.8 | Confident | 86.4 | Confident | 131 Ų | 131 | 112 Ų | 112 | 80% | 0.804 | 59% | 0.594 | S | S | * | * | trans | -58.1 | 131.7 | -178.4 | 56.7 | 0 | 0 | 0 | 0 | 109.2 | G21 S25 | G21-T23 PolarHBondContact O-N 3.41Å; T23-S25 PolarHBondContact O-N 3Å | ||
| 24 | Q | 75.8 | Confident | 86.4 | Confident | 188 Ų | 188 | 113.5 Ų | 113.5 | 88% | 0.879 | 60% | 0.598 | S | S | * | * | trans | -62.2 | 108.3 | 175.6 | -65.3 | -157.6 | -22.4 | 0 | 0 | 107.8 | P22 V26 | P22-Q24 PolarHBondContact O-N 2.75Å; Q24-V26 PolarHBondContact O-N 3.26Å; Q24-V26 VanDerWaalsContact O-N 3.16Å | ||
| 25 | S | 78.3 | Confident | 86.6 | Confident | 76 Ų | 76 | 114.7 Ų | 114.7 | 53% | 0.531 | 61% | 0.605 | S | S | . | * | trans | -62.3 | 119.5 | -178.8 | 57.9 | 0 | 0 | 0 | 0 | 108.3 | T23 G27 | T23-S25 PolarHBondContact O-N 3Å; S25-G27 PolarHBondContact O-N 3.19Å; S25-G27 PolarHBondContact OG-O 3.42Å | ||
| 26 | V | 85.9 | Confident | 86.7 | Confident | 162 Ų | 162 | 119.7 Ų | 119.7 | 98% | 0.982 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -70.5 | 11.7 | -178.3 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | Q24 | Q24-V26 PolarHBondContact O-N 3.26Å; Q24-V26 VanDerWaalsContact O-N 3.16Å |
| 27 | G | 87.4 | Confident | 86.7 | Confident | 39 Ų | 39 | 121.5 Ų | 121.5 | 40% | 0.402 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -143.4 | 174.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S25 T29 | S25-G27 PolarHBondContact O-N 3.19Å; S25-G27 PolarHBondContact OG-O 3.42Å; G27-T29 PolarHBondContact O-N 3.1Å |
| 28 | P | 89.3 | Confident | 86.8 | Confident | 70 Ų | 70 | 127.7 Ų | 127.7 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | trans | -53.1 | 129.2 | 178.5 | -23.1 | 33 | 0 | 0 | 0 | 110.1 | D32 Y33 | P28-D32 WeakPolarHBondContact CA-OD2 3.4Å; P28-D32 HydrophobicContact CB-CB 3.85Å; P28-Y33 HydrophobicContact CB-CE2 3.88Å | ||
| 29 | T | 91.1 | Very high | 86.8 | Confident | 55 Ų | 55 | 122 Ų | 122 | 34% | 0.337 | 63% | 0.633 | S | S | . | * | trans | -67 | 162 | 179.2 | -170.8 | 0 | 0 | 0 | 0 | 109.8 | G27 Q31 D32 Y33 | G27-T29 PolarHBondContact O-N 3.1Å; T29-Q31 HydrophobicContact CG2-CB 3.81Å; T29-Q31 PolarHBondContact O-N 3.25Å; T29-D32 HydrophobicContact CG2-CB 4.27Å; T29-D32 VanDerWaalsContact CG2-CG 3.45Å; T29-D32 WeakPolarHBondContact CG2-OD1 3.41Å; T29-D32 WeakPolarHBondContact CG2-OD2 3.16Å; T29-D32 PolarHBondContact N-OD2 3.14Å; T29-D32 WeakPolarHBondContact O-CA 3.37Å; T29-D32 VanDerWaalsContact O-CB 3.24Å; T29-D32 WeakPolarHBondContact O-CB 3.24Å; T29-D32 PolarHBondContact O-N 2.89Å; T29-Y33 WeakPolarHBondContact O-CD2 3.43Å; T29-Y33 PolarHBondContact O-N 2.97Å | ||
| 30 | I | 89.3 | Confident | 87 | Confident | 134 Ų | 134 | 114.4 Ų | 114.4 | 69% | 0.687 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -56.1 | -36.7 | 177.7 | -64.8 | 164.2 | 0 | 0 | 0 | 110.3 | D32 Y33 L34 | I30-D32 VanDerWaalsContact C-N 3.27Å; I30-D32 PolarHBondContact O-N 3.28Å; I30-Y33 PolarHBondContact O-N 2.79Å; I30-Y33 VanDerWaalsContact O-N 3.12Å; I30-L34 HydrophobicContact CG2-CD1 4.29Å; I30-L34 WeakPolarHBondContact O-CG 3.2Å; I30-L34 PolarHBondContact O-N 3.37Å |
| 31 | Q | 91.1 | Very high | 87 | Confident | 132 Ų | 132 | 115 Ų | 115 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.1 | -32.3 | 174.8 | -63.2 | 179.2 | -21.2 | 0 | 0 | 112.6 | T29 Y33 L34 N35 | T29-Q31 HydrophobicContact CG2-CB 3.81Å; T29-Q31 PolarHBondContact O-N 3.25Å; Q31-Y33 PolarHBondContact O-N 3.26Å; Q31-L34 PolarHBondContact O-N 3.5Å; Q31-N35 VanDerWaalsContact O-CB 3.26Å; Q31-N35 WeakPolarHBondContact O-CB 3.38Å; Q31-N35 PolarHBondContact O-N 2.88Å; Q31-N35 PolarHBondContact O-ND2 3.38Å |
| 32 | D | 92 | Very high | 87.2 | Confident | 79 Ų | 79 | 120.8 Ų | 120.8 | 42% | 0.422 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.3 | -26.8 | 177.1 | -61.6 | -25.5 | 0 | 0 | 0 | 111.9 | P28 T29 I30 R36 | P28-D32 WeakPolarHBondContact CA-OD2 3.4Å; P28-D32 HydrophobicContact CB-CB 3.85Å; T29-D32 HydrophobicContact CG2-CB 4.27Å; T29-D32 VanDerWaalsContact CG2-CG 3.45Å; T29-D32 WeakPolarHBondContact CG2-OD1 3.41Å; T29-D32 WeakPolarHBondContact CG2-OD2 3.16Å; T29-D32 PolarHBondContact N-OD2 3.14Å; T29-D32 WeakPolarHBondContact O-CA 3.37Å; T29-D32 VanDerWaalsContact O-CB 3.24Å; T29-D32 WeakPolarHBondContact O-CB 3.24Å; T29-D32 PolarHBondContact O-N 2.89Å; I30-D32 VanDerWaalsContact C-N 3.27Å; I30-D32 PolarHBondContact O-N 3.28Å; D32-R36 WeakPolarHBondContact O-CG 3.38Å |
| 33 | Y | 90.2 | Very high | 87.4 | Confident | 134 Ų | 134 | 119.6 Ų | 119.6 | 53% | 0.525 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -79.4 | -37.8 | 173.6 | -70.3 | -81 | 0 | 0 | 0 | 112 | P28 T29 I30 Q31 | P28-Y33 HydrophobicContact CB-CE2 3.88Å; T29-Y33 WeakPolarHBondContact O-CD2 3.43Å; T29-Y33 PolarHBondContact O-N 2.97Å; I30-Y33 PolarHBondContact O-N 2.79Å; I30-Y33 VanDerWaalsContact O-N 3.12Å; Q31-Y33 PolarHBondContact O-N 3.26Å |
| 34 | L | 92.2 | Very high | 88.2 | Confident | 106 Ų | 106 | 115.4 Ų | 115.4 | 56% | 0.555 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.7 | -36.1 | 178.4 | -64.9 | 175.7 | 0 | 0 | 0 | 112.1 | I30 Q31 R36 | I30-L34 HydrophobicContact CG2-CD1 4.29Å; I30-L34 WeakPolarHBondContact O-CG 3.2Å; I30-L34 PolarHBondContact O-N 3.37Å; Q31-L34 PolarHBondContact O-N 3.5Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 3.39Å |
| 35 | N | 92.1 | Very high | 88.8 | Confident | 125 Ų | 125 | 112.1 Ų | 112.1 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 4.1 | -178.5 | -64.6 | -23.7 | 0 | 0 | 0 | 113.9 | Q31 | Q31-N35 VanDerWaalsContact O-CB 3.26Å; Q31-N35 WeakPolarHBondContact O-CB 3.38Å; Q31-N35 PolarHBondContact O-N 2.88Å; Q31-N35 PolarHBondContact O-ND2 3.38Å |
| 36 | R | 92.6 | Very high | 89.2 | Confident | 141 Ų | 141 | 114.8 Ų | 114.8 | 53% | 0.532 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -63.3 | 135.9 | 175.3 | -89.8 | 159.5 | -172.5 | -116.7 | -1.9 | 109.8 | D32 L34 R38 | D32-R36 WeakPolarHBondContact O-CG 3.38Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 3.39Å; R36-R38 PolarHBondContact O-N 2.83Å |
| 37 | P | 88.8 | Confident | 89 | Confident | 125 Ų | 125 | 111.6 Ų | 111.6 | 81% | 0.812 | 55% | 0.548 | S | S | * | . | trans | -58 | 113.5 | 171.5 | 24.6 | -32 | 0 | 0 | 0 | 107.7 | ||||
| 38 | R | 89.1 | Confident | 88.9 | Confident | 197 Ų | 197 | 113.7 Ų | 113.7 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 131.4 | 173.7 | -62 | -175.3 | -177.7 | -146.3 | 1.1 | 106.5 | R36 T40 | R36-R38 PolarHBondContact O-N 2.83Å; R38-T40 PolarHBondContact O-N 3.33Å |
| 39 | P | 87.8 | Confident | 88.4 | Confident | 82 Ų | 82 | 114.9 Ų | 114.9 | 53% | 0.532 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 133.4 | 176 | 26 | -33.2 | 0 | 0 | 0 | 108.5 | V44 | P39-V44 HydrophobicContact CB-CG2 4Å; P39-V44 HydrophobicContact CG-CG2 4.18Å |
| 40 | T | 90.4 | Very high | 87.9 | Confident | 67 Ų | 67 | 115.3 Ų | 115.3 | 41% | 0.411 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 153.4 | 176.1 | 62.7 | 0 | 0 | 0 | 0 | 109.2 | R38 E42 E43 V44 | R38-T40 PolarHBondContact O-N 3.33Å; T40-E42 PolarHBondContact O-N 3.49Å; T40-E43 PolarHBondContact O-N 3.28Å; T40-E43 VanDerWaalsContact OG1-CG 3.27Å; T40-E43 WeakPolarHBondContact OG1-CG 3.34Å; T40-E43 PolarHBondContact OG1-N 2.95Å; T40-V44 PolarHBondContact O-N 2.99Å |
| 41 | W | 85.5 | Confident | 87.4 | Confident | 206 Ų | 206 | 116.1 Ų | 116.1 | 78% | 0.78 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -57.8 | -33.1 | 178.2 | -172.1 | -115.2 | 0 | 0 | 0 | 112.1 | V44 K45 | W41-V44 PolarHBondContact O-N 2.92Å; W41-K45 VanDerWaalsContact O-CB 3.32Å; W41-K45 WeakPolarHBondContact O-CB 3.41Å; W41-K45 PolarHBondContact O-N 2.82Å |
| 42 | E | 85.6 | Confident | 86.7 | Confident | 159 Ų | 159 | 118.3 Ų | 118.3 | 74% | 0.743 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.6 | -42.6 | 174.7 | -61.3 | -176.8 | 170.9 | 0 | 0 | 112.5 | T40 K45 K46 | T40-E42 PolarHBondContact O-N 3.49Å; E42-K45 PolarHBondContact O-N 2.85Å; E42-K46 VanDerWaalsContact O-CB 3.26Å; E42-K46 WeakPolarHBondContact O-CB 3.14Å; E42-K46 PolarHBondContact O-N 2.86Å |
| 43 | E | 87.3 | Confident | 85.6 | Confident | 103 Ų | 103 | 118.7 Ų | 118.7 | 48% | 0.481 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.9 | -40 | 175.3 | -75.5 | 172 | -168.3 | 0 | 0 | 111.9 | T40 K46 Q47 | T40-E43 PolarHBondContact O-N 3.28Å; T40-E43 VanDerWaalsContact OG1-CG 3.27Å; T40-E43 WeakPolarHBondContact OG1-CG 3.34Å; T40-E43 PolarHBondContact OG1-N 2.95Å; E43-K46 PolarHBondContact O-N 3.27Å; E43-Q47 WeakPolarHBondContact O-CB 3.22Å; E43-Q47 VanDerWaalsContact O-CG 3.28Å; E43-Q47 WeakPolarHBondContact O-CG 3.39Å; E43-Q47 PolarHBondContact O-N 2.94Å |
| 44 | V | 89.6 | Confident | 84.7 | Confident | 44 Ų | 44 | 114.1 Ų | 114.1 | 27% | 0.267 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.7 | -43 | 175.6 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | P39 T40 W41 Q47 L48 | P39-V44 HydrophobicContact CB-CG2 4Å; P39-V44 HydrophobicContact CG-CG2 4.18Å; T40-V44 PolarHBondContact O-N 2.99Å; W41-V44 PolarHBondContact O-N 2.92Å; V44-Q47 PolarHBondContact O-N 3.39Å; V44-L48 HydrophobicContact CG1-CD1 4.31Å; V44-L48 WeakPolarHBondContact O-CG 3.44Å; V44-L48 PolarHBondContact O-N 3.47Å |
| 45 | K | 89 | Confident | 83.2 | Confident | 119 Ų | 119 | 113 Ų | 113 | 52% | 0.517 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.8 | -45.9 | 176.4 | -169.9 | 179.8 | 178 | -175.3 | 0 | 111.2 | W41 E42 Q47 L48 E49 | W41-K45 VanDerWaalsContact O-CB 3.32Å; W41-K45 WeakPolarHBondContact O-CB 3.41Å; W41-K45 PolarHBondContact O-N 2.82Å; E42-K45 PolarHBondContact O-N 2.85Å; K45-Q47 VanDerWaalsContact C-N 3.31Å; K45-Q47 PolarHBondContact O-N 3.1Å; K45-L48 PolarHBondContact O-N 3.01Å; K45-L48 VanDerWaalsContact O-N 3.16Å; K45-E49 WeakPolarHBondContact CE-OE1 3.43Å; K45-E49 WeakPolarHBondContact O-CB 3.26Å; K45-E49 WeakPolarHBondContact O-CG 3.39Å; K45-E49 PolarHBondContact O-N 3.15Å |
| 46 | K | 86.4 | Confident | 82.1 | Confident | 131 Ų | 131 | 113 Ų | 113 | 57% | 0.57 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.7 | -38.6 | 174.1 | -176.3 | 177.5 | 179.4 | 178.9 | 0 | 112.1 | E42 E43 N50 | E42-K46 VanDerWaalsContact O-CB 3.26Å; E42-K46 WeakPolarHBondContact O-CB 3.14Å; E42-K46 PolarHBondContact O-N 2.86Å; E43-K46 PolarHBondContact O-N 3.27Å; K46-N50 VanDerWaalsContact O-CB 3.3Å; K46-N50 WeakPolarHBondContact O-CB 3.36Å; K46-N50 PolarHBondContact O-N 3.29Å; K46-N50 PolarHBondContact O-ND2 3.36Å; K46-N50 VanDerWaalsContact O-ND2 3.14Å |
| 47 | Q | 83.3 | Confident | 80.8 | Confident | 96 Ų | 96 | 110 Ų | 110 | 45% | 0.449 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.5 | -40.3 | 174.4 | -77.1 | -178.2 | 22.2 | 0 | 0 | 112.3 | E43 V44 K45 N50 K51 | E43-Q47 WeakPolarHBondContact O-CB 3.22Å; E43-Q47 VanDerWaalsContact O-CG 3.28Å; E43-Q47 WeakPolarHBondContact O-CG 3.39Å; E43-Q47 PolarHBondContact O-N 2.94Å; V44-Q47 PolarHBondContact O-N 3.39Å; K45-Q47 VanDerWaalsContact C-N 3.31Å; K45-Q47 PolarHBondContact O-N 3.1Å; Q47-N50 PolarHBondContact O-N 3.19Å; Q47-K51 VanDerWaalsContact O-CB 3.26Å; Q47-K51 WeakPolarHBondContact O-CB 3.26Å; Q47-K51 WeakPolarHBondContact O-CD 3.42Å; Q47-K51 WeakPolarHBondContact O-CG 3.49Å; Q47-K51 PolarHBondContact O-N 3.39Å |
| 48 | L | 83.3 | Confident | 79.6 | Confident | 83 Ų | 83 | 108.7 Ų | 108.7 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 175.4 | -74.3 | 172.9 | 0 | 0 | 0 | 111.2 | V44 K45 K51 K52 | V44-L48 HydrophobicContact CG1-CD1 4.31Å; V44-L48 WeakPolarHBondContact O-CG 3.44Å; V44-L48 PolarHBondContact O-N 3.47Å; K45-L48 PolarHBondContact O-N 3.01Å; K45-L48 VanDerWaalsContact O-N 3.16Å; L48-K51 PolarHBondContact O-N 3.5Å; L48-K52 VanDerWaalsContact O-CB 3.22Å; L48-K52 WeakPolarHBondContact O-CB 3.3Å; L48-K52 WeakPolarHBondContact O-CG 3.35Å; L48-K52 PolarHBondContact O-N 3.28Å |
| 49 | E | 80.8 | Confident | 78.8 | Confident | 94 Ų | 94 | 101.7 Ų | 101.7 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -50.6 | 172.6 | -74.1 | 169.6 | -167.3 | 0 | 0 | 110.3 | K45 K51 K52 T53 | K45-E49 WeakPolarHBondContact CE-OE1 3.43Å; K45-E49 WeakPolarHBondContact O-CB 3.26Å; K45-E49 WeakPolarHBondContact O-CG 3.39Å; K45-E49 PolarHBondContact O-N 3.15Å; E49-K51 VanDerWaalsContact C-N 3.25Å; E49-K51 PolarHBondContact O-N 2.88Å; E49-K52 CarbonylContact O-C 3.54Å; E49-K52 PolarHBondContact O-N 2.84Å; E49-T53 WeakPolarHBondContact O-CB 3.48Å; E49-T53 WeakPolarHBondContact O-CG2 3.26Å; E49-T53 PolarHBondContact O-N 3.38Å; E49-T53 PolarHBondContact O-OG1 3.43Å |
| 50 | N | 79.9 | Confident | 78.1 | Confident | 65 Ų | 65 | 103.4 Ų | 103.4 | 35% | 0.348 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -32 | 175.8 | -67.8 | -24.2 | 0 | 0 | 0 | 113.3 | K46 Q47 T53 G54 | K46-N50 VanDerWaalsContact O-CB 3.3Å; K46-N50 WeakPolarHBondContact O-CB 3.36Å; K46-N50 PolarHBondContact O-N 3.29Å; K46-N50 PolarHBondContact O-ND2 3.36Å; K46-N50 VanDerWaalsContact O-ND2 3.14Å; Q47-N50 PolarHBondContact O-N 3.19Å; N50-T53 WeakPolarHBondContact CA-OG1 3.46Å; N50-G54 CarbonylContact O-C 3.52Å; N50-G54 VanDerWaalsContact O-CA 3.29Å; N50-G54 WeakPolarHBondContact O-CA 3.32Å; N50-G54 PolarHBondContact O-N 3.4Å; N50-G54 VanDerWaalsContact O-O 3.11Å |
| 51 | K | 79.4 | Confident | 77.1 | Confident | 151 Ų | 151 | 106.3 Ų | 106.3 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73.7 | -36.7 | 173.4 | -75.3 | 167.6 | -178.9 | 173.8 | 0 | 111.9 | Q47 L48 E49 | Q47-K51 VanDerWaalsContact O-CB 3.26Å; Q47-K51 WeakPolarHBondContact O-CB 3.26Å; Q47-K51 WeakPolarHBondContact O-CD 3.42Å; Q47-K51 WeakPolarHBondContact O-CG 3.49Å; Q47-K51 PolarHBondContact O-N 3.39Å; L48-K51 PolarHBondContact O-N 3.5Å; E49-K51 VanDerWaalsContact C-N 3.25Å; E49-K51 PolarHBondContact O-N 2.88Å |
| 52 | K | 75.6 | Confident | 76.7 | Confident | 177 Ų | 177 | 102 Ų | 102 | 77% | 0.77 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -74.8 | -42.7 | 178 | -76.6 | 173.7 | 177.5 | -174 | 0 | 112 | L48 E49 G54 | L48-K52 VanDerWaalsContact O-CB 3.22Å; L48-K52 WeakPolarHBondContact O-CB 3.3Å; L48-K52 WeakPolarHBondContact O-CG 3.35Å; L48-K52 PolarHBondContact O-N 3.28Å; E49-K52 CarbonylContact O-C 3.54Å; E49-K52 PolarHBondContact O-N 2.84Å; K52-G54 VanDerWaalsContact C-N 3.29Å |
| 53 | T | 69 | Low | 76.3 | Confident | 88 Ų | 88 | 100.1 Ų | 100.1 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -79.6 | -13.1 | 175.9 | 63.5 | 0 | 0 | 0 | 0 | 112.1 | E49 N50 | E49-T53 WeakPolarHBondContact O-CB 3.48Å; E49-T53 WeakPolarHBondContact O-CG2 3.26Å; E49-T53 PolarHBondContact O-N 3.38Å; E49-T53 PolarHBondContact O-OG1 3.43Å; N50-T53 WeakPolarHBondContact CA-OG1 3.46Å |
| 54 | G | 70.1 | Confident | 76 | Confident | 38 Ų | 38 | 101.7 Ų | 101.7 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | trans | 62.3 | -151.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N50 K52 K56 | N50-G54 CarbonylContact O-C 3.52Å; N50-G54 VanDerWaalsContact O-CA 3.29Å; N50-G54 WeakPolarHBondContact O-CA 3.32Å; N50-G54 PolarHBondContact O-N 3.4Å; N50-G54 VanDerWaalsContact O-O 3.11Å; K52-G54 VanDerWaalsContact C-N 3.29Å; G54-K56 PolarHBondContact O-N 2.81Å | ||
| 55 | S | 61.8 | Low | 75.3 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 58% | 0.58 | 52% | 0.523 | S | S | * | . | trans | -62.4 | 90.1 | -179.2 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | A57 L58 A59 | S55-A57 PolarHBondContact O-N 3.16Å; S55-L58 WeakPolarHBondContact O-CB 3.4Å; S55-L58 PolarHBondContact O-N 3.25Å; S55-A59 PolarHBondContact O-N 3.14Å | ||
| 56 | K | 68.1 | Low | 75 | Confident | 125 Ų | 125 | 101.7 Ų | 101.7 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -49.1 | -33.3 | 175.9 | -144.6 | 171.6 | -175.9 | 172.5 | 0 | 113.1 | G54 L58 A59 E60 | G54-K56 PolarHBondContact O-N 2.81Å; K56-L58 PolarHBondContact O-N 2.87Å; K56-A59 PolarHBondContact O-N 2.84Å; K56-E60 WeakPolarHBondContact O-CG 3.27Å; K56-E60 PolarHBondContact O-N 2.77Å |
| 57 | A | 65.6 | Low | 74.9 | Confident | 76 Ų | 76 | 99.6 Ų | 99.6 | 63% | 0.628 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.9 | -27.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S55 F61 | S55-A57 PolarHBondContact O-N 3.16Å; A57-F61 WeakPolarHBondContact O-CB 3.48Å; A57-F61 PolarHBondContact O-N 2.88Å |
| 58 | L | 64.8 | Low | 74.8 | Confident | 98 Ų | 98 | 99 Ų | 99 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -76.7 | -42 | 172.6 | -94.8 | 164.5 | 0 | 0 | 0 | 110.6 | S55 K56 E60 F61 E62 | S55-L58 WeakPolarHBondContact O-CB 3.4Å; S55-L58 PolarHBondContact O-N 3.25Å; K56-L58 PolarHBondContact O-N 2.87Å; L58-E60 PolarHBondContact O-N 3.32Å; L58-F61 PolarHBondContact O-N 2.7Å; L58-E62 WeakPolarHBondContact O-CB 3.47Å; L58-E62 VanDerWaalsContact O-CG 3.31Å; L58-E62 WeakPolarHBondContact O-CG 3.31Å; L58-E62 PolarHBondContact O-N 3.48Å |
| 59 | A | 72.4 | Confident | 74.8 | Confident | 50 Ų | 50 | 101.6 Ų | 101.6 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S55 K56 F61 E62 E63 | S55-A59 PolarHBondContact O-N 3.14Å; K56-A59 PolarHBondContact O-N 2.84Å; A59-F61 VanDerWaalsContact C-N 3.34Å; A59-F61 PolarHBondContact O-N 3.02Å; A59-E62 PolarHBondContact O-N 2.97Å; A59-E63 WeakPolarHBondContact O-CB 3.42Å; A59-E63 PolarHBondContact O-N 3.48Å |
| 60 | E | 71.3 | Confident | 75.2 | Confident | 118 Ų | 118 | 104.2 Ų | 104.2 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.9 | -33.4 | 176.3 | -72.6 | 169.9 | -164.5 | 0 | 0 | 112.7 | K56 L58 K64 | K56-E60 WeakPolarHBondContact O-CG 3.27Å; K56-E60 PolarHBondContact O-N 2.77Å; L58-E60 PolarHBondContact O-N 3.32Å; E60-K64 WeakPolarHBondContact O-CB 3.45Å; E60-K64 PolarHBondContact O-N 2.98Å; E60-K64 VanDerWaalsContact O-N 3.16Å |
| 61 | F | 70.8 | Confident | 75.5 | Confident | 129 Ų | 129 | 105.9 Ų | 105.9 | 57% | 0.566 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.1 | -40.9 | 174.9 | -177.7 | -96.3 | 0 | 0 | 0 | 112.3 | A57 L58 A59 K64 M65 | A57-F61 WeakPolarHBondContact O-CB 3.48Å; A57-F61 PolarHBondContact O-N 2.88Å; L58-F61 PolarHBondContact O-N 2.7Å; A59-F61 VanDerWaalsContact C-N 3.34Å; A59-F61 PolarHBondContact O-N 3.02Å; F61-K64 PolarHBondContact O-N 3.24Å; F61-M65 HydrophobicContact CE1-CG 4.23Å; F61-M65 HydrophobicContact CZ-CG 4.39Å; F61-M65 WeakPolarHBondContact O-CG 3.28Å; F61-M65 PolarHBondContact O-N 2.84Å |
| 62 | E | 77.2 | Confident | 75.8 | Confident | 116 Ų | 116 | 104.6 Ų | 104.6 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 175.4 | -74.2 | 172.8 | -171.2 | 0 | 0 | 111.5 | L58 A59 M65 N66 | L58-E62 WeakPolarHBondContact O-CB 3.47Å; L58-E62 VanDerWaalsContact O-CG 3.31Å; L58-E62 WeakPolarHBondContact O-CG 3.31Å; L58-E62 PolarHBondContact O-N 3.48Å; A59-E62 PolarHBondContact O-N 2.97Å; E62-M65 PolarHBondContact O-N 2.94Å; E62-N66 WeakPolarHBondContact O-CB 3.44Å; E62-N66 PolarHBondContact O-N 3.23Å |
| 63 | E | 76.1 | Confident | 76.2 | Confident | 119 Ų | 119 | 101.2 Ų | 101.2 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 177.2 | -165.6 | 167.8 | -150 | 0 | 0 | 111.7 | A59 M65 N66 E67 | A59-E63 WeakPolarHBondContact O-CB 3.42Å; A59-E63 PolarHBondContact O-N 3.48Å; E63-M65 VanDerWaalsContact C-N 3.28Å; E63-M65 PolarHBondContact O-N 3.36Å; E63-N66 PolarHBondContact O-N 3.47Å; E63-N66 VanDerWaalsContact O-N 3.1Å; E63-E67 WeakPolarHBondContact O-CG 3.12Å; E63-E67 PolarHBondContact O-N 3.16Å |
| 64 | K | 82.3 | Confident | 77 | Confident | 136 Ų | 136 | 103.1 Ų | 103.1 | 59% | 0.591 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.5 | -35.8 | 176.1 | -174.5 | 170.5 | -179.1 | 172.2 | 0 | 113.3 | E60 F61 N68 | E60-K64 WeakPolarHBondContact O-CB 3.45Å; E60-K64 PolarHBondContact O-N 2.98Å; E60-K64 VanDerWaalsContact O-N 3.16Å; F61-K64 PolarHBondContact O-N 3.24Å; K64-N68 PolarHBondContact O-N 3.33Å; K64-N68 PolarHBondContact O-ND2 3.31Å |
| 65 | M | 74.9 | Confident | 77.7 | Confident | 77 Ų | 77 | 107 Ų | 107 | 38% | 0.379 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.8 | -40.7 | 175.1 | -68.1 | -65.5 | -80.1 | 0 | 0 | 111.5 | F61 E62 E63 E67 N68 W69 | F61-M65 HydrophobicContact CE1-CG 4.23Å; F61-M65 HydrophobicContact CZ-CG 4.39Å; F61-M65 WeakPolarHBondContact O-CG 3.28Å; F61-M65 PolarHBondContact O-N 2.84Å; E62-M65 PolarHBondContact O-N 2.94Å; E63-M65 VanDerWaalsContact C-N 3.28Å; E63-M65 PolarHBondContact O-N 3.36Å; M65-E67 PolarHBondContact O-N 3.36Å; M65-N68 PolarHBondContact O-N 3.37Å; M65-W69 HydrophobicContact CB-CE3 4.33Å; M65-W69 HydrophobicContact CB-CH2 3.96Å; M65-W69 HydrophobicContact CB-CZ3 3.8Å; M65-W69 HydrophobicContact CE-CH2 4.28Å; M65-W69 HydrophobicContact CE-CZ2 4.14Å; M65-W69 VanDerWaalsContact O-CE3 3.32Å; M65-W69 PolarHBondContact O-N 2.89Å; M65-W69 VanDerWaalsContact O-N 3.15Å |
| 66 | N | 81.8 | Confident | 78.7 | Confident | 85 Ų | 85 | 105.8 Ų | 105.8 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 176.3 | -82.5 | -18.9 | 0 | 0 | 0 | 113.5 | E62 E63 N68 W69 K70 | E62-N66 WeakPolarHBondContact O-CB 3.44Å; E62-N66 PolarHBondContact O-N 3.23Å; E63-N66 PolarHBondContact O-N 3.47Å; E63-N66 VanDerWaalsContact O-N 3.1Å; N66-N68 VanDerWaalsContact C-N 3.32Å; N66-N68 PolarHBondContact O-N 3.45Å; N66-W69 PolarHBondContact O-N 3.3Å; N66-W69 VanDerWaalsContact OD1-CE3 3.32Å; N66-K70 WeakPolarHBondContact O-CB 3.45Å; N66-K70 WeakPolarHBondContact O-CG 3.26Å; N66-K70 PolarHBondContact O-N 3.22Å |
| 67 | E | 83.7 | Confident | 79.7 | Confident | 87 Ų | 87 | 107.9 Ų | 107.9 | 41% | 0.407 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 174.1 | -75.9 | -178.7 | -163.6 | 0 | 0 | 112.3 | E63 M65 K70 K71 | E63-E67 WeakPolarHBondContact O-CG 3.12Å; E63-E67 PolarHBondContact O-N 3.16Å; M65-E67 PolarHBondContact O-N 3.36Å; E67-K70 PolarHBondContact O-N 3.04Å; E67-K71 WeakPolarHBondContact O-CB 3.49Å; E67-K71 VanDerWaalsContact O-CG 3.26Å; E67-K71 WeakPolarHBondContact O-CG 3.44Å; E67-K71 PolarHBondContact O-N 2.84Å; E67-K71 IonicContact OE2-NZ 3.15Å |
| 68 | N | 82.6 | Confident | 80.4 | Confident | 83 Ų | 83 | 110.4 Ų | 110.4 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 178.8 | -69.2 | -21 | 0 | 0 | 0 | 111.1 | K64 M65 N66 K71 E72 | K64-N68 PolarHBondContact O-N 3.33Å; K64-N68 PolarHBondContact O-ND2 3.31Å; M65-N68 PolarHBondContact O-N 3.37Å; N66-N68 VanDerWaalsContact C-N 3.32Å; N66-N68 PolarHBondContact O-N 3.45Å; N68-K71 PolarHBondContact O-N 3.47Å; N68-E72 WeakPolarHBondContact O-CB 3.29Å; N68-E72 PolarHBondContact O-N 3.3Å |
| 69 | W | 83.7 | Confident | 81 | Confident | 138 Ų | 138 | 113.1 Ų | 113.1 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 173.5 | -69.7 | -44.1 | 0 | 0 | 0 | 112.6 | M65 N66 E72 L73 | M65-W69 HydrophobicContact CB-CE3 4.33Å; M65-W69 HydrophobicContact CB-CH2 3.96Å; M65-W69 HydrophobicContact CB-CZ3 3.8Å; M65-W69 HydrophobicContact CE-CH2 4.28Å; M65-W69 HydrophobicContact CE-CZ2 4.14Å; M65-W69 VanDerWaalsContact O-CE3 3.32Å; M65-W69 PolarHBondContact O-N 2.89Å; M65-W69 VanDerWaalsContact O-N 3.15Å; N66-W69 PolarHBondContact O-N 3.3Å; N66-W69 VanDerWaalsContact OD1-CE3 3.32Å; W69-E72 PolarHBondContact O-N 2.82Å; W69-L73 WeakPolarHBondContact O-CG 3.39Å; W69-L73 PolarHBondContact O-N 3.44Å |
| 70 | K | 87.4 | Confident | 81.1 | Confident | 150 Ų | 150 | 117 Ų | 117 | 65% | 0.652 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.9 | -47 | 173.7 | -79.2 | -179 | 179 | 178.4 | 0 | 111.5 | N66 E67 E72 L73 E74 | N66-K70 WeakPolarHBondContact O-CB 3.45Å; N66-K70 WeakPolarHBondContact O-CG 3.26Å; N66-K70 PolarHBondContact O-N 3.22Å; E67-K70 PolarHBondContact O-N 3.04Å; K70-E72 VanDerWaalsContact C-N 3.28Å; K70-E72 PolarHBondContact O-N 3.06Å; K70-L73 PolarHBondContact O-N 3.31Å; K70-E74 VanDerWaalsContact O-CB 3.24Å; K70-E74 WeakPolarHBondContact O-CB 3.46Å; K70-E74 PolarHBondContact O-N 2.84Å |
| 71 | K | 86.4 | Confident | 80.9 | Confident | 99 Ų | 99 | 117.3 Ų | 117.3 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -36 | 176.2 | -74.3 | 168 | -178.6 | 162.6 | 0 | 111.9 | E67 N68 K75 | E67-K71 WeakPolarHBondContact O-CB 3.49Å; E67-K71 VanDerWaalsContact O-CG 3.26Å; E67-K71 WeakPolarHBondContact O-CG 3.44Å; E67-K71 PolarHBondContact O-N 2.84Å; E67-K71 IonicContact OE2-NZ 3.15Å; N68-K71 PolarHBondContact O-N 3.47Å; K71-K75 WeakPolarHBondContact O-CB 3.24Å; K71-K75 WeakPolarHBondContact O-CD 3.35Å; K71-K75 WeakPolarHBondContact O-CG 3.45Å; K71-K75 PolarHBondContact O-N 3.3Å |
| 72 | E | 85.4 | Confident | 80.8 | Confident | 124 Ų | 124 | 115 Ų | 115 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73.3 | -40 | 177.8 | -171.4 | 161.4 | -152.6 | 0 | 0 | 112.8 | N68 W69 K70 S76 | N68-E72 WeakPolarHBondContact O-CB 3.29Å; N68-E72 PolarHBondContact O-N 3.3Å; W69-E72 PolarHBondContact O-N 2.82Å; K70-E72 VanDerWaalsContact C-N 3.28Å; K70-E72 PolarHBondContact O-N 3.06Å; E72-S76 WeakPolarHBondContact O-CB 3.47Å; E72-S76 PolarHBondContact O-N 3.26Å; E72-S76 PolarHBondContact O-OG 3.04Å |
| 73 | L | 85.1 | Confident | 79.9 | Confident | 106 Ų | 106 | 111.2 Ų | 111.2 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -40.2 | 171.6 | -71.1 | -176.6 | 0 | 0 | 0 | 111.9 | W69 K70 S76 R77 | W69-L73 WeakPolarHBondContact O-CG 3.39Å; W69-L73 PolarHBondContact O-N 3.44Å; K70-L73 PolarHBondContact O-N 3.31Å; L73-S76 PolarHBondContact O-N 3.37Å; L73-R77 WeakPolarHBondContact O-CG 3.32Å; L73-R77 PolarHBondContact O-N 3.48Å |
| 74 | E | 86.1 | Confident | 79 | Confident | 128 Ų | 128 | 111 Ų | 111 | 60% | 0.598 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64 | -47.7 | 176.5 | -175.2 | 167.2 | -121.9 | 0 | 0 | 111.3 | K70 S76 R77 E78 | K70-E74 VanDerWaalsContact O-CB 3.24Å; K70-E74 WeakPolarHBondContact O-CB 3.46Å; K70-E74 PolarHBondContact O-N 2.84Å; E74-S76 PolarHBondContact O-N 3.37Å; E74-R77 WeakPolarHBondContact O-CB 3.46Å; E74-R77 PolarHBondContact O-N 2.76Å; E74-R77 VanDerWaalsContact O-N 3.14Å; E74-E78 WeakPolarHBondContact O-CB 3.5Å; E74-E78 PolarHBondContact O-N 3.19Å |
| 75 | K | 85.1 | Confident | 77.8 | Confident | 121 Ų | 121 | 112.1 Ų | 112.1 | 53% | 0.526 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.4 | -36.7 | 172.5 | -74.6 | 167.3 | -174.8 | 177 | 0 | 112.6 | K71 K79 | K71-K75 WeakPolarHBondContact O-CB 3.24Å; K71-K75 WeakPolarHBondContact O-CD 3.35Å; K71-K75 WeakPolarHBondContact O-CG 3.45Å; K71-K75 PolarHBondContact O-N 3.3Å; K75-K79 WeakPolarHBondContact O-CB 3.17Å; K75-K79 WeakPolarHBondContact O-CG 3.34Å; K75-K79 PolarHBondContact O-N 3.4Å |
| 76 | S | 82.7 | Confident | 76.8 | Confident | 57 Ų | 57 | 112.9 Ų | 112.9 | 40% | 0.399 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.5 | -39.1 | 177.9 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | E72 L73 E74 L80 | E72-S76 WeakPolarHBondContact O-CB 3.47Å; E72-S76 PolarHBondContact O-N 3.26Å; E72-S76 PolarHBondContact O-OG 3.04Å; L73-S76 PolarHBondContact O-N 3.37Å; E74-S76 PolarHBondContact O-N 3.37Å; S76-L80 WeakPolarHBondContact O-CG 3.43Å; S76-L80 PolarHBondContact O-N 2.93Å |
| 77 | R | 88.3 | Confident | 75.3 | Confident | 169 Ų | 169 | 111.5 Ų | 111.5 | 64% | 0.638 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65 | -44.3 | 172 | -74.9 | 173.7 | 175.7 | 161.2 | -1 | 111.8 | L73 E74 K79 L80 L81 | L73-R77 WeakPolarHBondContact O-CG 3.32Å; L73-R77 PolarHBondContact O-N 3.48Å; E74-R77 WeakPolarHBondContact O-CB 3.46Å; E74-R77 PolarHBondContact O-N 2.76Å; E74-R77 VanDerWaalsContact O-N 3.14Å; R77-K79 PolarHBondContact O-N 3.48Å; R77-L80 PolarHBondContact O-N 3.39Å; R77-L81 WeakPolarHBondContact O-CG 3.3Å; R77-L81 PolarHBondContact O-N 3.21Å |
| 78 | E | 79.6 | Confident | 73.8 | Confident | 128 Ų | 128 | 110.5 Ų | 110.5 | 60% | 0.598 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.8 | -43.5 | 178 | -171.2 | -173.5 | 178.3 | 0 | 0 | 111.2 | E74 L80 L81 S82 | E74-E78 WeakPolarHBondContact O-CB 3.5Å; E74-E78 PolarHBondContact O-N 3.19Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.4Å; E78-L81 PolarHBondContact O-N 3.25Å; E78-S82 WeakPolarHBondContact O-CA 3.47Å; E78-S82 WeakPolarHBondContact O-CB 3.4Å; E78-S82 PolarHBondContact O-N 3.5Å |
| 79 | K | 78.8 | Confident | 72.6 | Confident | 156 Ų | 156 | 114.1 Ų | 114.1 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.4 | -39 | 175.5 | -75.1 | 170.1 | -177.1 | -178.5 | 0 | 113 | K75 R77 G83 | K75-K79 WeakPolarHBondContact O-CB 3.17Å; K75-K79 WeakPolarHBondContact O-CG 3.34Å; K75-K79 PolarHBondContact O-N 3.4Å; R77-K79 PolarHBondContact O-N 3.48Å; K79-G83 PolarHBondContact O-N 2.86Å; K79-G83 VanDerWaalsContact O-N 3.1Å |
| 80 | L | 72.9 | Confident | 71.4 | Confident | 130 Ų | 130 | 115.8 Ų | 115.8 | 68% | 0.681 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.4 | -39.5 | 177 | -71.7 | 176.9 | 0 | 0 | 0 | 112.4 | S76 R77 E78 | S76-L80 WeakPolarHBondContact O-CG 3.43Å; S76-L80 PolarHBondContact O-N 2.93Å; R77-L80 PolarHBondContact O-N 3.39Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.4Å |
| 81 | L | 68.5 | Low | 70.1 | Confident | 125 Ų | 125 | 117.8 Ų | 117.8 | 65% | 0.654 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -74.3 | -43.3 | 178.7 | -69.2 | 167.8 | 0 | 0 | 0 | 111.7 | R77 E78 G83 N84 E85 | R77-L81 WeakPolarHBondContact O-CG 3.3Å; R77-L81 PolarHBondContact O-N 3.21Å; E78-L81 PolarHBondContact O-N 3.25Å; L81-G83 PolarHBondContact O-N 3.21Å; L81-N84 PolarHBondContact O-N 3.33Å; L81-E85 PolarHBondContact O-N 3.19Å |
| 82 | S | 67.7 | Low | 68.7 | Low | 80 Ų | 80 | 119.2 Ų | 119.2 | 56% | 0.559 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.6 | -38.6 | 176.3 | 176 | 0 | 0 | 0 | 0 | 112.8 | E78 N84 | E78-S82 WeakPolarHBondContact O-CA 3.47Å; E78-S82 WeakPolarHBondContact O-CB 3.4Å; E78-S82 PolarHBondContact O-N 3.5Å; S82-N84 VanDerWaalsContact C-N 3.31Å; S82-N84 PolarHBondContact O-N 3.19Å |
| 83 | G | 58.8 | Low | 67.5 | Low | 37 Ų | 37 | 121.5 Ų | 121.5 | 38% | 0.381 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.1 | -23.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K79 L81 S87 | K79-G83 PolarHBondContact O-N 2.86Å; K79-G83 VanDerWaalsContact O-N 3.1Å; L81-G83 PolarHBondContact O-N 3.21Å; G83-S87 PolarHBondContact O-OG 3.46Å |
| 84 | N | 57.5 | Low | 66.2 | Low | 116 Ų | 116 | 123.4 Ų | 123.4 | 62% | 0.62 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -87.1 | -25 | -178.1 | -83 | 8.3 | 0 | 0 | 0 | 113.5 | L81 S82 S88 | L81-N84 PolarHBondContact O-N 3.33Å; S82-N84 VanDerWaalsContact C-N 3.31Å; S82-N84 PolarHBondContact O-N 3.19Å; N84-S88 PolarHBondContact O-OG 3.35Å |
| 85 | E | 56.8 | Low | 65 | Low | 158 Ų | 158 | 126.8 Ų | 126.8 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.5 | -32.3 | -177 | -158.4 | 165.5 | 122.1 | 0 | 0 | 112.9 | L81 | L81-E85 PolarHBondContact O-N 3.19Å |
| 86 | S | 52.9 | Low | 63.8 | Low | 93 Ų | 93 | 128.9 Ų | 128.9 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -87.1 | -26.6 | -179.1 | 61.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 87 | S | 51.5 | Low | 62.7 | Low | 56 Ų | 56 | 134.1 Ų | 134.1 | 39% | 0.392 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -88.2 | -25.1 | -174.1 | 69.6 | 0 | 0 | 0 | 0 | 114.3 | G83 R91 | G83-S87 PolarHBondContact O-OG 3.46Å; S87-R91 PolarHBondContact O-N 3.12Å |
| 88 | S | 53 | Low | 61.3 | Low | 67 Ų | 67 | 133 Ų | 133 | 47% | 0.469 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -69.1 | -46.3 | -178.8 | 61 | 0 | 0 | 0 | 0 | 112.7 | N84 K90 R91 E92 | N84-S88 PolarHBondContact O-OG 3.35Å; S88-K90 VanDerWaalsContact C-N 3.32Å; S88-K90 PolarHBondContact O-N 3.34Å; S88-R91 PolarHBondContact O-N 3.28Å; S88-E92 PolarHBondContact O-N 3.21Å; S88-E92 VanDerWaalsContact O-N 3.12Å |
| 89 | K | 56.9 | Low | 60.3 | Low | 159 Ų | 159 | 135.8 Ų | 135.8 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.9 | -33.9 | 176.6 | -88.3 | 172.7 | 178.1 | 163.2 | 0 | 113.5 | ||
| 90 | K | 58.2 | Low | 59.1 | Low | 173 Ų | 173 | 137.6 Ų | 137.6 | 75% | 0.752 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -76.9 | -35.8 | 179.2 | -164.7 | 171.4 | -176.4 | 174.9 | 0 | 112.2 | S88 K94 | S88-K90 VanDerWaalsContact C-N 3.32Å; S88-K90 PolarHBondContact O-N 3.34Å; K90-K94 PolarHBondContact O-N 3.33Å |
| 91 | R | 59.1 | Low | 57.9 | Low | 191 Ų | 191 | 135.8 Ų | 135.8 | 72% | 0.721 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.9 | -34.3 | 174.3 | -97 | 178 | 160.8 | -179.5 | -4.9 | 112.6 | S87 S88 K94 R95 | S87-R91 PolarHBondContact O-N 3.12Å; S88-R91 PolarHBondContact O-N 3.28Å; R91-K94 PolarHBondContact O-N 3.21Å; R91-R95 PolarHBondContact O-N 3.34Å |
| 92 | E | 58.2 | Low | 56.7 | Low | 130 Ų | 130 | 135 Ų | 135 | 61% | 0.607 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.7 | -47.2 | 178.7 | -164.2 | -176.2 | 167.8 | 0 | 0 | 112.6 | S88 K94 R95 K96 | S88-E92 PolarHBondContact O-N 3.21Å; S88-E92 VanDerWaalsContact O-N 3.12Å; E92-K94 VanDerWaalsContact C-N 3.29Å; E92-K94 PolarHBondContact O-N 3.1Å; E92-R95 PolarHBondContact O-N 3.07Å; E92-K96 PolarHBondContact O-N 3.4Å; E92-K96 VanDerWaalsContact O-N 3.11Å |
| 93 | K | 59.4 | Low | 55.9 | Low | 172 Ų | 172 | 142.4 Ų | 142.4 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -60.2 | -36.7 | 173.6 | -81.7 | -178.3 | 176.3 | 175.7 | 0 | 112.4 | K96 K97 | K93-K96 PolarHBondContact O-N 2.85Å; K93-K97 PolarHBondContact O-N 3.44Å; K93-K97 VanDerWaalsContact O-N 3.14Å |
| 94 | K | 59.1 | Low | 54.9 | Low | 146 Ų | 146 | 146.1 Ų | 146.1 | 64% | 0.635 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -70.5 | -35.5 | 178.3 | -166.2 | 173.9 | -179.2 | 176.5 | 0 | 112.7 | K90 R91 E92 K97 K98 | K90-K94 PolarHBondContact O-N 3.33Å; R91-K94 PolarHBondContact O-N 3.21Å; E92-K94 VanDerWaalsContact C-N 3.29Å; E92-K94 PolarHBondContact O-N 3.1Å; K94-K97 PolarHBondContact O-N 3.29Å; K94-K98 PolarHBondContact O-N 3.15Å |
| 95 | R | 60.7 | Low | 53.9 | Low | 198 Ų | 198 | 146 Ų | 146 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -67.5 | -38.9 | 173.1 | -78.2 | 176.7 | 80.3 | -170.3 | 5.6 | 112 | R91 E92 K97 K98 K99 | R91-R95 PolarHBondContact O-N 3.34Å; E92-R95 PolarHBondContact O-N 3.07Å; R95-K97 VanDerWaalsContact C-N 3.32Å; R95-K97 PolarHBondContact O-N 3.19Å; R95-K98 PolarHBondContact O-N 3.26Å; R95-K99 PolarHBondContact O-N 3.17Å |
| 96 | K | 59.7 | Low | 53.1 | Low | 165 Ų | 165 | 143.6 Ų | 143.6 | 72% | 0.717 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -63.1 | -35.1 | 173.1 | -109.9 | 179.2 | 177.2 | 174.8 | 0 | 112.7 | E92 K93 | E92-K96 PolarHBondContact O-N 3.4Å; E92-K96 VanDerWaalsContact O-N 3.11Å; K93-K96 PolarHBondContact O-N 2.85Å |
| 97 | K | 58.5 | Low | 52.3 | Low | 168 Ų | 168 | 144.7 Ų | 144.7 | 73% | 0.73 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -73.4 | -40 | 176.3 | -167.7 | 174.3 | 179.2 | 177.7 | 0 | 113.1 | K93 K94 R95 K99 K100 | K93-K97 PolarHBondContact O-N 3.44Å; K93-K97 VanDerWaalsContact O-N 3.14Å; K94-K97 PolarHBondContact O-N 3.29Å; R95-K97 VanDerWaalsContact C-N 3.32Å; R95-K97 PolarHBondContact O-N 3.19Å; K97-K99 VanDerWaalsContact C-N 3.34Å; K97-K99 PolarHBondContact O-N 3.07Å; K97-K100 PolarHBondContact O-N 3.34Å |
| 98 | K | 59.1 | Low | 51.8 | Low | 145 Ų | 145 | 147.3 Ų | 147.3 | 63% | 0.63 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -67.9 | -27.8 | 177.8 | -91.2 | -164.9 | 170.1 | -167.4 | 0 | 114 | K94 R95 K100 S101 C102 | K94-K98 PolarHBondContact O-N 3.15Å; R95-K98 PolarHBondContact O-N 3.26Å; K98-K100 PolarHBondContact O-N 3.16Å; K98-S101 PolarHBondContact O-N 3.48Å; K98-S101 PolarHBondContact O-OG 3.38Å; K98-C102 PolarHBondContact O-SG 2.87Å |
| 99 | K | 58.5 | Low | 51 | Low | 187 Ų | 187 | 149.4 Ų | 149.4 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -13.8 | 174.2 | -78.4 | -163.8 | 172.1 | -168.7 | 0 | 114.3 | R95 K97 | R95-K99 PolarHBondContact O-N 3.17Å; K97-K99 VanDerWaalsContact C-N 3.34Å; K97-K99 PolarHBondContact O-N 3.07Å |
| 100 | K | 54.8 | Low | 50.3 | Low | 193 Ų | 193 | 146.9 Ų | 146.9 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -6.9 | 176.7 | -86 | -177.6 | 172.7 | -179.3 | 0 | 114.4 | K97 K98 | K97-K100 PolarHBondContact O-N 3.34Å; K98-K100 PolarHBondContact O-N 3.16Å |
| 101 | S | 46.7 | Very low | 49.7 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -110.4 | 13.2 | -175.4 | 71.2 | 0 | 0 | 0 | 0 | 114.4 | K98 R103 | K98-S101 PolarHBondContact O-N 3.48Å; K98-S101 PolarHBondContact O-OG 3.38Å; S101-R103 PolarHBondContact O-N 3.26Å |
| 102 | C | 43.2 | Very low | 49.2 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | trans | -95 | 72.2 | -179.2 | -50.3 | 0 | 0 | 0 | 0 | 110.8 | K98 | K98-C102 PolarHBondContact O-SG 2.87Š| ||
| 103 | R | 52.3 | Low | 48.3 | Very low | 236 Ų | 236 | 140 Ų | 140 | 89% | 0.891 | 75% | 0.752 | S | S | * | * | trans | -154 | 92.8 | 164.4 | -156.1 | 175.9 | -172.7 | -143 | 1.5 | 108.6 | S101 | S101-R103 PolarHBondContact O-N 3.26Š| ||
| 104 | S | 36.8 | Very low | 47.5 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 166.3 | 104.3 | 150.7 | -69.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 105 | S | 37.5 | Very low | 47.1 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 43.2 | 114.1 | 130.3 | -32.8 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 106 | S | 38.1 | Very low | 46.1 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 52.5 | 139 | 125.6 | 53.9 | 0 | 0 | 0 | 0 | 128.6 | |||||
| 107 | S | 37.5 | Very low | 45.2 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 68.9 | 145.4 | 151.4 | 46.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 108 | S | 40.7 | Very low | 44.8 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -171.2 | 147.9 | 6.5 | 37.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 109 | S | 36.1 | Very low | 43.9 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | 166.8 | 129.7 | 100.7 | 56.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 110 | S | 42.6 | Very low | 43.1 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | 43.8 | 125.1 | 135.7 | 67.1 | 0 | 0 | 0 | 0 | 127.5 | ||||
| 111 | S | 45.7 | Very low | 42.6 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 51 | 152.7 | 132.8 | 54 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 112 | D | 49.2 | Very low | 42.2 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | cis | -166.2 | 156.4 | 7.6 | -132 | -64.3 | 0 | 0 | 0 | 111.2 | ||||
| 113 | S | 38.9 | Very low | 42.5 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | 70.3 | 120.6 | 146.4 | -69.1 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 114 | S | 41.9 | Very low | 42.2 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | 93.5 | 134.1 | 127.3 | -57.2 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 115 | S | 50.7 | Low | 42.9 | Very low | 124 Ų | 124 | 127 Ų | 127 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -82.6 | 141.8 | -177.6 | 164.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 116 | S | 39.5 | Very low | 43.7 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -156.3 | 146.1 | 155.4 | -173.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 117 | S | 41.8 | Very low | 44.3 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -77.8 | 151.2 | -164.2 | 48.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 118 | S | 49.1 | Very low | 44.8 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -48.6 | 126.3 | 168.1 | -165.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 119 | D | 41.2 | Very low | 45.7 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -157.8 | 124.6 | 148.7 | -153.3 | -66.3 | 0 | 0 | 0 | 108.4 | ||||
| 120 | S | 41.2 | Very low | 46.8 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -132.4 | 109.4 | 174.7 | -169.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 121 | E | 43.7 | Very low | 47.8 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -83.1 | 162.6 | 176.3 | -63.7 | -137.1 | 107.7 | 0 | 0 | 112.7 | ||||
| 122 | D | 37.9 | Very low | 48.7 | Very low | 135 Ų | 135 | 151.7 Ų | 151.7 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 89 | 102 | 151.2 | -152 | -172.7 | 0 | 0 | 0 | 119.6 | E124 | D122-E124 PolarHBondContact OD2-N 2.76Š| ||
| 123 | E | 49.9 | Very low | 49.2 | Very low | 161 Ų | 161 | 154.7 Ų | 154.7 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | -155.7 | 102 | 119.1 | -99.8 | -67.6 | 152.7 | 0 | 0 | 108.9 | |||||
| 124 | E | 47.4 | Very low | 50.3 | Low | 162 Ų | 162 | 159.1 Ų | 159.1 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | trans | -77.7 | 117.6 | 168 | -173.4 | -171.4 | -177.9 | 0 | 0 | 110.7 | D122 | D122-E124 PolarHBondContact OD2-N 2.76Š| ||
| 125 | K | 51.5 | Low | 51 | Low | 165 Ų | 165 | 162.9 Ų | 162.9 | 72% | 0.717 | 82% | 0.815 | S | S | * | * | trans | -164.3 | 109.7 | 140.7 | -98.2 | 137.6 | -155.1 | 164.4 | 0 | 114.4 | ||||
| 126 | K | 52.3 | Low | 51 | Low | 178 Ų | 178 | 164.4 Ų | 164.4 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | 80 | 118.3 | 127 | -67 | -173.9 | 178.5 | -178 | 0 | 120.3 | |||||
| 127 | Q | 51.8 | Low | 51.5 | Low | 161 Ų | 161 | 169.3 Ų | 169.3 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | 101.9 | 67.4 | 144.6 | -53.3 | -119.2 | -4.7 | 0 | 0 | 116.9 | K129 | Q127-K129 PolarHBondContact O-N 3.43Š| ||
| 128 | G | 47.3 | Very low | 51.7 | Low | 79 Ų | 79 | 169 Ų | 169 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -63.2 | 118.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 129 | K | 60.2 | Low | 51.2 | Low | 182 Ų | 182 | 173.3 Ų | 173.3 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -107.2 | 95.2 | 157.2 | -74.4 | -176.8 | -179.3 | 174.7 | 0 | 108.9 | Q127 R131 | Q127-K129 PolarHBondContact O-N 3.43Å; K129-R131 PolarHBondContact O-N 3.16Å; K129-R131 VanDerWaalsContact O-N 3.07Å | ||
| 130 | R | 60 | Low | 51.4 | Low | 249 Ų | 249 | 175.1 Ų | 175.1 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | trans | -61.4 | 104.9 | 170.9 | -65.1 | 171.7 | 78.8 | 175.4 | 5.1 | 109 | K132 | R130-K132 PolarHBondContact O-N 3.22Š| ||
| 131 | R | 63.1 | Low | 51.1 | Low | 240 Ų | 240 | 174.6 Ų | 174.6 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -73.3 | 113.7 | 168.4 | -88.6 | 177 | 142.4 | 177.2 | -5.6 | 109.1 | K129 K133 | K129-R131 PolarHBondContact O-N 3.16Å; K129-R131 VanDerWaalsContact O-N 3.07Å; R131-K133 PolarHBondContact O-N 3.01Å; R131-K133 VanDerWaalsContact O-N 3.1Å | ||
| 132 | K | 63.6 | Low | 51.1 | Low | 202 Ų | 202 | 171.5 Ų | 171.5 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -58.5 | 109.5 | 172.2 | -78.5 | -180 | 175 | 176.5 | 0 | 110 | R130 K134 | R130-K132 PolarHBondContact O-N 3.22Å; K132-K134 PolarHBondContact O-N 3.35Å | ||
| 133 | K | 61.1 | Low | 50.8 | Low | 208 Ų | 208 | 174.2 Ų | 174.2 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -71 | 102.6 | 169.8 | -169.2 | 173.9 | -178.1 | 177.1 | 0 | 108.3 | R131 K135 | R131-K133 PolarHBondContact O-N 3.01Å; R131-K133 VanDerWaalsContact O-N 3.1Å; K133-K135 PolarHBondContact O-N 3.22Å | ||
| 134 | K | 60.8 | Low | 50.3 | Low | 191 Ų | 191 | 171.6 Ų | 171.6 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | trans | -69.6 | 114.4 | 171 | -77.2 | -172.5 | 175.5 | -177.1 | 0 | 108.7 | K132 N136 | K132-K134 PolarHBondContact O-N 3.35Å; K134-N136 PolarHBondContact O-N 3.44Å | ||
| 135 | K | 57.1 | Low | 50 | Low | 204 Ų | 204 | 169.5 Ų | 169.5 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | -77.3 | 105.9 | 173 | -167.8 | 175.9 | -176.7 | 177.9 | 0 | 107.5 | K133 R137 | K133-K135 PolarHBondContact O-N 3.22Å; K135-R137 PolarHBondContact O-N 3.11Å | ||
| 136 | N | 50.6 | Low | 49.5 | Very low | 155 Ų | 155 | 167.8 Ų | 167.8 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | trans | -74.3 | 116.3 | 170.8 | -75.3 | -25.3 | 0 | 0 | 0 | 108.4 | K134 S138 | K134-N136 PolarHBondContact O-N 3.44Å; N136-S138 PolarHBondContact O-N 2.84Å | ||
| 137 | R | 49.7 | Very low | 48.6 | Very low | 219 Ų | 219 | 169.5 Ų | 169.5 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -78.9 | 111.9 | 176.5 | -173.7 | 166.2 | -177.7 | 91 | -1.5 | 108.1 | K135 | K135-R137 PolarHBondContact O-N 3.11Š| ||
| 138 | S | 45.6 | Very low | 48 | Very low | 103 Ų | 103 | 168.7 Ų | 168.7 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -73 | 125.9 | 163.5 | 49.8 | 0 | 0 | 0 | 0 | 109.3 | N136 | N136-S138 PolarHBondContact O-N 2.84Š| ||
| 139 | Y | 38.9 | Very low | 47.6 | Very low | 214 Ų | 214 | 170.8 Ų | 170.8 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -148.6 | 135.7 | 149.2 | -113.2 | -83.2 | 0 | 0 | 0 | 110.7 | ||||
| 140 | K | 46.1 | Very low | 46.8 | Very low | 179 Ų | 179 | 170.3 Ų | 170.3 | 78% | 0.778 | 82% | 0.822 | S | S | * | * | trans | -81.2 | 162.1 | 176 | -176.3 | 83.2 | 174.5 | -171.2 | 0 | 109.7 | ||||
| 141 | S | 34.1 | Very low | 45.7 | Very low | 107 Ų | 107 | 163.9 Ų | 163.9 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | 115.3 | 110.6 | 168.9 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 142 | S | 43.9 | Very low | 44.7 | Very low | 107 Ų | 107 | 161.2 Ų | 161.2 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | 52.7 | 86.6 | 58.2 | -60.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 143 | Q | 31.9 | Very low | 43.5 | Very low | 193 Ų | 193 | 157.1 Ų | 157.1 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -155.3 | 144.9 | 142.1 | -78.4 | -155.5 | -29.8 | 0 | 0 | 110.7 | ||||
| 144 | S | 38.4 | Very low | 42.7 | Very low | 106 Ų | 106 | 156 Ų | 156 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -47 | 150.5 | 172.8 | 48.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 145 | S | 42.1 | Very low | 41.7 | Very low | 117 Ų | 117 | 155.5 Ų | 155.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -156.6 | 106.9 | 146.1 | 66.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 146 | T | 41.5 | Very low | 41 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -51 | 133.8 | 149.9 | -25.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 147 | Y | 33.3 | Very low | 40.7 | Very low | 215 Ų | 215 | 150 Ų | 150 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | 177.6 | 121.3 | 135.7 | -105.7 | -80.2 | 0 | 0 | 0 | 111.1 | ||||
| 148 | E | 39.7 | Very low | 40.6 | Very low | 144 Ų | 144 | 148.8 Ų | 148.8 | 67% | 0.673 | 80% | 0.8 | S | S | * | * | trans | 35.9 | 113.3 | 139.9 | -64.4 | -67.2 | 98.8 | 0 | 0 | 119.6 | ||||
| 149 | S | 38 | Very low | 41.1 | Very low | 122 Ų | 122 | 154 Ų | 154 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -131 | 104.2 | 144.3 | -78.6 | 0 | 0 | 0 | 0 | 108.3 | S151 | S149-S151 PolarHBondContact O-N 3.35Š| ||
| 150 | E | 42.6 | Very low | 41.6 | Very low | 172 Ų | 172 | 153.2 Ų | 153.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -52.8 | 126.2 | 167.6 | -59 | 176.4 | 99.2 | 0 | 0 | 109.5 | ||||
| 151 | S | 36.7 | Very low | 41.9 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -148.4 | 97.1 | 160.6 | -78.2 | 0 | 0 | 0 | 0 | 107.9 | S149 S153 | S149-S151 PolarHBondContact O-N 3.35Å; S151-S153 PolarHBondContact O-N 2.91Å | ||
| 152 | E | 43.3 | Very low | 42.2 | Very low | 185 Ų | 185 | 158.1 Ų | 158.1 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -47.4 | 121.5 | 164.9 | -72.8 | 178.1 | 114.5 | 0 | 0 | 110.6 | ||||
| 153 | S | 38.8 | Very low | 42.6 | Very low | 115 Ų | 115 | 157.5 Ų | 157.5 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -144.9 | 119.6 | 145.6 | 49.9 | 0 | 0 | 0 | 0 | 108.5 | S151 | S151-S153 PolarHBondContact O-N 2.91Š| ||
| 154 | K | 43.7 | Very low | 43.4 | Very low | 186 Ų | 186 | 156.2 Ų | 156.2 | 81% | 0.809 | 81% | 0.805 | S | S | * | * | trans | -68.5 | 155 | -176.1 | -65.8 | -178.4 | 175.3 | 177.8 | 0 | 110.9 | ||||
| 155 | E | 40.7 | Very low | 43.2 | Very low | 180 Ų | 180 | 157.6 Ų | 157.6 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | 82 | 84.6 | 148.9 | -154.1 | 161.7 | -156.5 | 0 | 0 | 117.4 | ||||
| 156 | S | 41.3 | Very low | 43 | Very low | 114 Ų | 114 | 159.4 Ų | 159.4 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -124.7 | 112.9 | 149.5 | 55.3 | 0 | 0 | 0 | 0 | 109.6 | K158 | S156-K158 PolarHBondContact O-N 3.16Š| ||
| 157 | V | 45.1 | Very low | 43.2 | Very low | 129 Ų | 129 | 159 Ų | 159 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -71 | 120.6 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 158 | K | 47.9 | Very low | 43.5 | Very low | 193 Ų | 193 | 158.3 Ų | 158.3 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -62.8 | 132.6 | 174.2 | -65.5 | 169.6 | 177.3 | 172.5 | 0 | 110.7 | S156 | S156-K158 PolarHBondContact O-N 3.16Š| ||
| 159 | K | 54.3 | Low | 44.1 | Very low | 212 Ų | 212 | 161.4 Ų | 161.4 | 92% | 0.922 | 81% | 0.813 | S | S | * | * | trans | -131.6 | 142.5 | 141.1 | -76.6 | -162.9 | 179 | 179.4 | 0 | 110.9 | ||||
| 160 | K | 50.4 | Low | 44.6 | Very low | 198 Ų | 198 | 163.8 Ų | 163.8 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -109.7 | 132.3 | -150.3 | -165.7 | -174.7 | -177.5 | -175.4 | 0 | 109 | ||||
| 161 | K | 51.5 | Low | 45.2 | Very low | 183 Ų | 183 | 164.3 Ų | 164.3 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | trans | 33.8 | 120.9 | 140 | -164.6 | 174 | -178.5 | 176.3 | 0 | 119.4 | ||||
| 162 | K | 42 | Very low | 45.5 | Very low | 206 Ų | 206 | 166 Ų | 166 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -151.2 | 118.2 | 132 | -165.2 | 92.9 | 176.5 | -172 | 0 | 109.5 | ||||
| 163 | S | 51.3 | Low | 45.9 | Very low | 95 Ų | 95 | 165.6 Ų | 165.6 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | trans | -84.4 | 140.8 | 167 | 46.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 164 | K | 48.1 | Very low | 46.4 | Very low | 165 Ų | 165 | 171.4 Ų | 171.4 | 72% | 0.717 | 82% | 0.817 | S | S | * | * | trans | -146.3 | 122.7 | 147.1 | -166.8 | 167.8 | -174.2 | -147.3 | 0 | 110.4 | E166 | K164-E166 WeakPolarHBondContact CE-OE1 3.39Å; K164-E166 IonicContact NZ-OE1 2.87Å; K164-E166 PolarHBondContact NZ-OE1 3.31Å; K164-E166 IonicContact NZ-OE2 3.11Å; K164-E166 PolarHBondContact NZ-OE2 2.91Å | ||
| 165 | D | 35.8 | Very low | 46.6 | Very low | 136 Ų | 136 | 166.5 Ų | 166.5 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -84.4 | 134.2 | 170.1 | -160.9 | -58.6 | 0 | 0 | 0 | 107.6 | ||||
| 166 | E | 36.3 | Very low | 47.1 | Very low | 154 Ų | 154 | 166.5 Ų | 166.5 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -162.2 | 108 | 156.2 | -114.9 | 154.7 | -156 | 0 | 0 | 109.2 | K164 | K164-E166 WeakPolarHBondContact CE-OE1 3.39Å; K164-E166 IonicContact NZ-OE1 2.87Å; K164-E166 PolarHBondContact NZ-OE1 3.31Å; K164-E166 IonicContact NZ-OE2 3.11Å; K164-E166 PolarHBondContact NZ-OE2 2.91Å | ||
| 167 | T | 45.4 | Very low | 47.4 | Very low | 121 Ų | 121 | 166 Ų | 166 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | -51 | 124.9 | 166.6 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 168 | E | 41.4 | Very low | 47.6 | Very low | 200 Ų | 200 | 169.2 Ų | 169.2 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | trans | -159 | 84.3 | 149.7 | -111.3 | 179.2 | -168.3 | 0 | 0 | 109.4 | ||||
| 169 | K | 51.9 | Low | 47.5 | Very low | 209 Ų | 209 | 169.5 Ų | 169.5 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -103.7 | 90 | 160 | -75.2 | -173.1 | 179.5 | -180 | 0 | 107.4 | ||||
| 170 | E | 47.1 | Very low | 47.1 | Very low | 172 Ų | 172 | 171.2 Ų | 171.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -166.2 | 138.8 | 157.2 | -134.7 | 179.9 | 150.7 | 0 | 0 | 110.6 | ||||
| 171 | K | 56.3 | Low | 47 | Very low | 184 Ų | 184 | 172 Ų | 172 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | trans | 91.6 | 74.6 | 171.6 | -49.7 | 158.6 | -171.5 | 173.9 | 0 | 115.7 | ||||
| 172 | D | 43.7 | Very low | 46.2 | Very low | 149 Ų | 149 | 172.4 Ų | 172.4 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -151.8 | 41.6 | 149 | -111.2 | -13.8 | 0 | 0 | 0 | 113.8 | ||||
| 173 | I | 50.6 | Low | 45.9 | Very low | 177 Ų | 177 | 167.8 Ų | 167.8 | 91% | 0.908 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -113.1 | 13.9 | 173.2 | -35.7 | 179.7 | 0 | 0 | 0 | 111.5 | ||
| 174 | R | 50.3 | Low | 45.2 | Very low | 237 Ų | 237 | 172.3 Ų | 172.3 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -120.6 | 37.1 | -171.8 | -156.7 | -176.5 | 178.4 | 174.2 | -0.1 | 114.1 | ||
| 175 | S | 47.4 | Very low | 45.5 | Very low | 83 Ų | 83 | 169.5 Ų | 169.5 | 58% | 0.58 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -147.4 | 11.1 | -173.3 | 18 | 0 | 0 | 0 | 0 | 117.1 | ||
| 176 | L | 50.5 | Low | 45.4 | Very low | 179 Ų | 179 | 170 Ų | 170 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -125.3 | 9.8 | 175.2 | -73.3 | 169 | 0 | 0 | 0 | 115.8 | ||
| 177 | S | 47.7 | Very low | 45.1 | Very low | 103 Ų | 103 | 169.4 Ų | 169.4 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -98.5 | 88.7 | 174 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 178 | K | 50.3 | Low | 45.1 | Very low | 197 Ų | 197 | 173.2 Ų | 173.2 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | -157.5 | 115.7 | 160.8 | -106.5 | 150.8 | -171.4 | -178.9 | 0 | 112.7 | ||||
| 179 | K | 45.5 | Very low | 46 | Very low | 199 Ų | 199 | 168.7 Ų | 168.7 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | 89.6 | 86.4 | 151.4 | -55.6 | -172.8 | 179.5 | -178.8 | 0 | 119.1 | ||||
| 180 | R | 46.3 | Very low | 45 | Very low | 249 Ų | 249 | 166.2 Ų | 166.2 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | -129 | 127.3 | 126.5 | -79.5 | 179.9 | 68.8 | 142.7 | -3.4 | 108.5 | |||||
| 181 | K | 47.4 | Very low | 44.2 | Very low | 214 Ų | 214 | 162.9 Ų | 162.9 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -69.2 | 139.7 | 180 | -75.5 | -130.9 | 177.6 | -176.7 | 0 | 110.5 | ||||
| 182 | K | 35.7 | Very low | 43.1 | Very low | 191 Ų | 191 | 158.6 Ų | 158.6 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -90.6 | 131.2 | 171.8 | -176.5 | 156.6 | 177.6 | 172.2 | 0 | 108.6 | ||||
| 183 | S | 35.8 | Very low | 42.5 | Very low | 110 Ų | 110 | 160 Ų | 160 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -117.3 | 122.9 | 159.4 | 52.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 184 | Y | 36.5 | Very low | 42.1 | Very low | 189 Ų | 189 | 157.3 Ų | 157.3 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -152.6 | 149.1 | 164.5 | -125.6 | -104.9 | 0 | 0 | 0 | 104.5 | ||||
| 185 | P | 53.8 | Low | 41.5 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | -151.5 | -168.7 | 64 | 37.5 | -13.6 | 0 | 0 | 0 | 117 | |||||
| 186 | E | 33 | Very low | 41.4 | Very low | 147 Ų | 147 | 153.8 Ų | 153.8 | 69% | 0.687 | 80% | 0.804 | S | S | * | * | trans | 91.4 | 116.4 | -178.9 | -51.8 | -71.3 | 116.6 | 0 | 0 | 112.9 | ||||
| 187 | D | 31.4 | Very low | 40.9 | Very low | 141 Ų | 141 | 154.5 Ų | 154.5 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | cis | -153 | 155.7 | 20.6 | -87.9 | -48.3 | 0 | 0 | 0 | 112.8 | ||||
| 188 | K | 44.2 | Very low | 40.8 | Very low | 200 Ų | 200 | 154.6 Ų | 154.6 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | trans | -80.8 | -175 | 176.9 | -75.5 | 170.6 | 177.4 | 170.2 | 0 | 112.4 | ||||
| 189 | P | 60.4 | Low | 40.3 | Very low | 105 Ų | 105 | 152.1 Ų | 152.1 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | cis | -131 | 177.4 | -36.4 | 28.7 | -8.1 | 0 | 0 | 0 | 112.7 | ||||
| 190 | L | 31.8 | Very low | 40.2 | Very low | 157 Ų | 157 | 152.5 Ų | 152.5 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 154.3 | 136 | 132 | -78.5 | 167.2 | 0 | 0 | 0 | 115.2 | ||||
| 191 | S | 29.4 | Very low | 40.2 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | 73.2 | 121 | 142.2 | -71.7 | 0 | 0 | 0 | 0 | 125 | ||||
| 192 | S | 33.8 | Very low | 40.2 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | 100.7 | 113.2 | 125.1 | -69.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 193 | E | 31.4 | Very low | 40.8 | Very low | 177 Ų | 177 | 139.6 Ų | 139.6 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | 70.5 | 118.4 | 124.1 | -58.2 | -167.4 | 105.6 | 0 | 0 | 122 | |||||
| 194 | S | 41.4 | Very low | 41.5 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | 8.7 | 129.4 | 143.2 | -67 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 195 | S | 38.2 | Very low | 42.2 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | -170.2 | 112.4 | 119.7 | -158.7 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 196 | S | 44.9 | Very low | 42.2 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 87% | 0.867 | 72% | 0.723 | S | S | * | * | trans | -136.7 | 60.6 | 179.7 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 197 | E | 39.8 | Very low | 43.3 | Very low | 194 Ų | 194 | 132 Ų | 132 | 91% | 0.907 | 72% | 0.719 | S | S | * | * | trans | -150.3 | 78.6 | 167.5 | -84.8 | -169.4 | 96.4 | 0 | 0 | 110.1 | ||||
| 198 | S | 45.6 | Very low | 44.4 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | trans | -147.5 | -1.7 | 165.9 | 74.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 199 | D | 40.4 | Very low | 45 | Very low | 144 Ų | 144 | 131 Ų | 131 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -86.1 | -7.3 | -172.1 | -125.2 | -41.3 | 0 | 0 | 0 | 114.5 | ||
| 200 | Y | 44 | Very low | 44.6 | Very low | 208 Ų | 208 | 135.8 Ų | 135.8 | 82% | 0.816 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -93.2 | -22.8 | -173.4 | -156.5 | -101.9 | 0 | 0 | 0 | 114.6 | ||
| 201 | E | 46.3 | Very low | 45.7 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -81.9 | -31.8 | -178.1 | -89.6 | -105.1 | 159.1 | 0 | 0 | 113.1 | ||
| 202 | E | 46.9 | Very low | 46.6 | Very low | 148 Ų | 148 | 135 Ų | 135 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -70.1 | -39 | -175.7 | -170.4 | 170.7 | 177.2 | 0 | 0 | 112.4 | V204 Q205 A206 | E202-V204 VanDerWaalsContact C-N 3.32Å; E202-V204 PolarHBondContact O-N 3.16Å; E202-Q205 PolarHBondContact O-N 3.37Å; E202-A206 PolarHBondContact O-N 3.3Å |
| 203 | D | 47.8 | Very low | 47.5 | Very low | 89 Ų | 89 | 136.5 Ų | 136.5 | 48% | 0.476 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -72.8 | -25.1 | -174.4 | -155.9 | 40.3 | 0 | 0 | 0 | 112.9 | K207 | D203-K207 PolarHBondContact O-N 3.1Å; D203-K207 IonicContact OD2-NZ 2.64Å; D203-K207 PolarHBondContact OD2-NZ 3.07Å |
| 204 | V | 50.5 | Low | 48.4 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 56% | 0.558 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -75.2 | -36.5 | 175.6 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | E202 K208 | E202-V204 VanDerWaalsContact C-N 3.32Å; E202-V204 PolarHBondContact O-N 3.16Å; V204-K208 PolarHBondContact O-N 3.35Å |
| 205 | Q | 51.2 | Low | 49.1 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 54% | 0.537 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -72.5 | -36.1 | 177.6 | -64.9 | -161.5 | 23.4 | 0 | 0 | 112.5 | E202 K207 K208 K209 | E202-Q205 PolarHBondContact O-N 3.37Å; Q205-K207 PolarHBondContact O-N 3.36Å; Q205-K208 PolarHBondContact O-N 2.88Å; Q205-K209 PolarHBondContact O-N 3.14Å |
| 206 | A | 54.5 | Low | 49.9 | Very low | 51 Ų | 51 | 137.1 Ų | 137.1 | 42% | 0.421 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -63.4 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E202 R210 | E202-A206 PolarHBondContact O-N 3.3Å; A206-R210 PolarHBondContact O-N 3.47Å |
| 207 | K | 54.4 | Low | 50.6 | Low | 136 Ų | 136 | 136 Ų | 136 | 59% | 0.591 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.1 | -31.2 | 178.5 | -72.8 | 174.2 | 178.6 | 143.6 | 0 | 113.2 | D203 Q205 | D203-K207 PolarHBondContact O-N 3.1Å; D203-K207 IonicContact OD2-NZ 2.64Å; D203-K207 PolarHBondContact OD2-NZ 3.07Å; Q205-K207 PolarHBondContact O-N 3.36Å |
| 208 | K | 55.3 | Low | 51.5 | Low | 166 Ų | 166 | 129.3 Ų | 129.3 | 72% | 0.722 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.7 | -33.9 | 176.7 | -162.4 | 173.1 | -179.1 | 178.4 | 0 | 112.7 | V204 Q205 | V204-K208 PolarHBondContact O-N 3.35Å; Q205-K208 PolarHBondContact O-N 2.88Å |
| 209 | K | 56.6 | Low | 52.2 | Low | 153 Ų | 153 | 131 Ų | 131 | 67% | 0.665 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.3 | -40.6 | 176.6 | -77.3 | -178.2 | 177.5 | 172.4 | 0 | 113 | Q205 R211 C212 | Q205-K209 PolarHBondContact O-N 3.14Å; K209-R211 VanDerWaalsContact C-N 3.26Å; K209-R211 PolarHBondContact O-N 3.3Å; K209-C212 PolarHBondContact O-N 2.99Å |
| 210 | R | 52.7 | Low | 53.1 | Low | 205 Ų | 205 | 130.4 Ų | 130.4 | 77% | 0.774 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58.8 | -33.5 | 176.3 | -81.1 | -176.5 | 170.3 | 171.7 | -0.5 | 113.6 | A206 | A206-R210 PolarHBondContact O-N 3.47Å |
| 211 | R | 53.7 | Low | 54 | Low | 153 Ų | 153 | 126.9 Ų | 126.9 | 58% | 0.577 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.2 | -21.9 | -179.3 | -163 | 177 | -173 | -124.6 | 7.6 | 114.4 | K209 | K209-R211 VanDerWaalsContact C-N 3.26Å; K209-R211 PolarHBondContact O-N 3.3Å |
| 212 | C | 50.3 | Low | 54.7 | Low | 89 Ų | 89 | 124.8 Ų | 124.8 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -78.1 | -41.3 | 177.3 | -84.6 | 0 | 0 | 0 | 0 | 112 | K209 R215 E216 | K209-C212 PolarHBondContact O-N 2.99Å; C212-R215 PolarHBondContact O-N 3.17Å; C212-E216 PolarHBondContact O-N 3.08Å |
| 213 | E | 52.4 | Low | 55.4 | Low | 128 Ų | 128 | 125.2 Ų | 125.2 | 60% | 0.598 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.9 | -37.1 | -176.2 | -164.5 | 146 | -162 | 0 | 0 | 112.4 | R215 E216 Q217 | E213-R215 PolarHBondContact O-N 3.42Å; E213-E216 PolarHBondContact O-N 3.33Å; E213-Q217 PolarHBondContact O-N 3.38Å |
| 214 | E | 50 | Low | 56 | Low | 148 Ų | 148 | 128.9 Ų | 128.9 | 69% | 0.692 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.4 | -37.5 | 174.5 | -166.3 | -175.4 | 172.5 | 0 | 0 | 112.5 | E216 A218 | E214-E216 VanDerWaalsContact C-N 3.33Å; E214-E216 PolarHBondContact O-N 3.31Å; E214-A218 WeakPolarHBondContact O-CB 3.49Å; E214-A218 PolarHBondContact O-N 3.35Å; E214-A218 VanDerWaalsContact O-N 3.16Å |
| 215 | R | 56.6 | Low | 56.3 | Low | 143 Ų | 143 | 132.1 Ų | 132.1 | 54% | 0.54 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70 | -28.7 | 177.4 | -83.9 | 178.4 | 168.2 | -171.7 | -4.7 | 112.9 | C212 E213 K219 | C212-R215 PolarHBondContact O-N 3.17Å; E213-R215 PolarHBondContact O-N 3.42Å; R215-K219 WeakPolarHBondContact O-CG 3.43Å; R215-K219 PolarHBondContact O-N 3.29Å |
| 216 | E | 54.3 | Low | 56.7 | Low | 142 Ų | 142 | 133.5 Ų | 133.5 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.3 | -45.1 | 179.5 | -161.7 | 169.6 | -170.2 | 0 | 0 | 111.3 | C212 E213 E214 A218 K219 E220 | C212-E216 PolarHBondContact O-N 3.08Å; E213-E216 PolarHBondContact O-N 3.33Å; E214-E216 VanDerWaalsContact C-N 3.33Å; E214-E216 PolarHBondContact O-N 3.31Å; E216-A218 VanDerWaalsContact C-N 3.29Å; E216-A218 PolarHBondContact O-N 3.45Å; E216-K219 PolarHBondContact O-N 3.24Å; E216-K219 VanDerWaalsContact O-N 3.15Å; E216-E220 PolarHBondContact O-N 3.06Å |
| 217 | Q | 58.8 | Low | 56.8 | Low | 101 Ų | 101 | 139.3 Ų | 139.3 | 47% | 0.472 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -61.4 | -35.9 | 174.1 | -66.5 | -169.1 | 28.2 | 0 | 0 | 112.7 | E213 K221 | E213-Q217 PolarHBondContact O-N 3.38Å; Q217-K221 WeakPolarHBondContact O-CG 3.11Å; Q217-K221 PolarHBondContact O-N 3.35Å; Q217-K221 VanDerWaalsContact O-N 3.16Å |
| 218 | A | 58.4 | Low | 56.9 | Low | 54 Ų | 54 | 140.4 Ų | 140.4 | 45% | 0.446 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E214 E216 V222 | E214-A218 WeakPolarHBondContact O-CB 3.49Å; E214-A218 PolarHBondContact O-N 3.35Å; E214-A218 VanDerWaalsContact O-N 3.16Å; E216-A218 VanDerWaalsContact C-N 3.29Å; E216-A218 PolarHBondContact O-N 3.45Å; A218-V222 VanDerWaalsContact O-CG2 3.3Å; A218-V222 WeakPolarHBondContact O-CG2 3.33Å; A218-V222 PolarHBondContact O-N 2.95Å |
| 219 | K | 61.3 | Low | 57 | Low | 139 Ų | 139 | 138.8 Ų | 138.8 | 60% | 0.604 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.6 | -35.5 | 179.1 | -71.2 | 172.2 | -176.1 | 179.2 | 0 | 112.4 | R215 E216 V222 K223 | R215-K219 WeakPolarHBondContact O-CG 3.43Å; R215-K219 PolarHBondContact O-N 3.29Å; E216-K219 PolarHBondContact O-N 3.24Å; E216-K219 VanDerWaalsContact O-N 3.15Å; K219-V222 PolarHBondContact O-N 3.24Å; K219-K223 WeakPolarHBondContact O-CG 3.35Å; K219-K223 PolarHBondContact O-N 2.92Å; K219-K223 VanDerWaalsContact O-N 3.11Å |
| 220 | E | 58.6 | Low | 56.8 | Low | 132 Ų | 132 | 137.6 Ų | 137.6 | 62% | 0.617 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.3 | -44.4 | 176.6 | -164.2 | -168.6 | 156.8 | 0 | 0 | 111.9 | E216 V222 K223 K224 | E216-E220 PolarHBondContact O-N 3.06Å; E220-V222 VanDerWaalsContact C-N 3.29Å; E220-V222 PolarHBondContact O-N 2.89Å; E220-K223 PolarHBondContact O-N 3.42Å; E220-K224 PolarHBondContact O-N 3.32Å |
| 221 | K | 64.5 | Low | 56.9 | Low | 135 Ų | 135 | 135.2 Ų | 135.2 | 59% | 0.587 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.2 | -36.4 | 175.9 | -71.2 | 174.6 | -176.9 | 174.2 | 0 | 112.1 | Q217 K225 | Q217-K221 WeakPolarHBondContact O-CG 3.11Å; Q217-K221 PolarHBondContact O-N 3.35Å; Q217-K221 VanDerWaalsContact O-N 3.16Å; K221-K225 WeakPolarHBondContact O-CG 3.31Å; K221-K225 PolarHBondContact O-N 3.32Å; K221-K225 VanDerWaalsContact O-N 3.16Å |
| 222 | V | 60.6 | Low | 57 | Low | 101 Ų | 101 | 135.4 Ų | 135.4 | 61% | 0.612 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.9 | -41.3 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111.9 | A218 K219 E220 K225 K226 | A218-V222 VanDerWaalsContact O-CG2 3.3Å; A218-V222 WeakPolarHBondContact O-CG2 3.33Å; A218-V222 PolarHBondContact O-N 2.95Å; K219-V222 PolarHBondContact O-N 3.24Å; E220-V222 VanDerWaalsContact C-N 3.29Å; E220-V222 PolarHBondContact O-N 2.89Å; V222-K225 PolarHBondContact O-N 3.4Å; V222-K226 PolarHBondContact O-N 3.03Å; V222-K226 VanDerWaalsContact O-N 3.07Å |
| 223 | K | 60.6 | Low | 57.1 | Low | 158 Ų | 158 | 141.7 Ų | 141.7 | 69% | 0.687 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.3 | -40.6 | 175.8 | -72.1 | 176.4 | -179.7 | 178.7 | 0 | 112.2 | K219 E220 K226 K227 | K219-K223 WeakPolarHBondContact O-CG 3.35Å; K219-K223 PolarHBondContact O-N 2.92Å; K219-K223 VanDerWaalsContact O-N 3.11Å; E220-K223 PolarHBondContact O-N 3.42Å; K223-K226 PolarHBondContact O-N 3.48Å; K223-K227 PolarHBondContact O-N 3.03Å; K223-K227 VanDerWaalsContact O-N 3.1Å |
| 224 | K | 59.8 | Low | 57.2 | Low | 166 Ų | 166 | 139.5 Ų | 139.5 | 72% | 0.722 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.5 | -38.5 | 176.8 | -166.4 | 172.2 | -177.4 | 173.4 | 0 | 112.2 | E220 K228 | E220-K224 PolarHBondContact O-N 3.32Å; K224-K228 PolarHBondContact O-N 2.95Å |
| 225 | K | 58.7 | Low | 57.6 | Low | 159 Ų | 159 | 140.9 Ų | 140.9 | 69% | 0.691 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.1 | -40.9 | 173.8 | -75.3 | -176.8 | 178 | -177.1 | 0 | 112.3 | K221 V222 K228 Q229 | K221-K225 WeakPolarHBondContact O-CG 3.31Å; K221-K225 PolarHBondContact O-N 3.32Å; K221-K225 VanDerWaalsContact O-N 3.16Å; V222-K225 PolarHBondContact O-N 3.4Å; K225-K228 PolarHBondContact O-N 2.64Å; K225-Q229 PolarHBondContact O-N 3.11Å |
| 226 | K | 57.7 | Low | 57.6 | Low | 144 Ų | 144 | 143.6 Ų | 143.6 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -64.3 | -41.1 | 177.7 | -164.8 | 172.9 | -179.6 | 178.1 | 0 | 112.4 | V222 K223 K228 Q229 H230 | V222-K226 PolarHBondContact O-N 3.03Å; V222-K226 VanDerWaalsContact O-N 3.07Å; K223-K226 PolarHBondContact O-N 3.48Å; K226-K228 VanDerWaalsContact C-N 3.31Å; K226-K228 PolarHBondContact O-N 2.87Å; K226-Q229 PolarHBondContact O-N 3.43Å; K226-H230 PolarHBondContact O-CD2 3.21Å; K226-H230 VanDerWaalsContact O-CD2 3.24Å |
| 227 | K | 57.5 | Low | 57.9 | Low | 174 Ų | 174 | 146.2 Ų | 146.2 | 76% | 0.757 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -63.6 | -32.1 | 176.9 | -167.4 | 172.9 | -179.2 | 176.8 | 0 | 113.1 | K223 | K223-K227 PolarHBondContact O-N 3.03Å; K223-K227 VanDerWaalsContact O-N 3.1Å |
| 228 | K | 56.8 | Low | 57.9 | Low | 158 Ų | 158 | 151 Ų | 151 | 69% | 0.687 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73.4 | -28.3 | 179.2 | -154.2 | 173.9 | -176 | 179 | 0 | 113 | K224 K225 K226 | K224-K228 PolarHBondContact O-N 2.95Å; K225-K228 PolarHBondContact O-N 2.64Å; K226-K228 VanDerWaalsContact C-N 3.31Å; K226-K228 PolarHBondContact O-N 2.87Å |
| 229 | Q | 56.2 | Low | 58 | Low | 132 Ų | 132 | 157.9 Ų | 157.9 | 62% | 0.617 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -73 | -39.8 | 178.4 | -68 | -72.6 | 10.2 | 0 | 0 | 112.7 | K225 K226 K231 K232 | K225-Q229 PolarHBondContact O-N 3.11Å; K226-Q229 PolarHBondContact O-N 3.43Å; Q229-K231 VanDerWaalsContact C-N 3.3Å; Q229-K231 PolarHBondContact O-N 3.43Å; Q229-K232 PolarHBondContact O-N 3.38Å |
| 230 | H | 52.6 | Low | 57.7 | Low | 129 Ų | 129 | 161 Ų | 161 | 60% | 0.597 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -68.6 | -25.4 | 179.9 | -71.6 | -76.1 | 0 | 0 | 0 | 113.7 | K226 | K226-H230 PolarHBondContact O-CD2 3.21Å; K226-H230 VanDerWaalsContact O-CD2 3.24Å |
| 231 | K | 54.7 | Low | 57.3 | Low | 154 Ų | 154 | 161 Ų | 161 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -76.7 | -21.8 | 177.4 | -169.4 | 164.4 | -179.7 | 173.8 | 0 | 113.7 | Q229 | Q229-K231 VanDerWaalsContact C-N 3.3Å; Q229-K231 PolarHBondContact O-N 3.43Å |
| 232 | K | 56 | Low | 56.3 | Low | 157 Ų | 157 | 158.1 Ų | 158.1 | 68% | 0.683 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -81.9 | -29.2 | 177.6 | -70.7 | -170 | 176.2 | -171.6 | 0 | 113.1 | Q229 | Q229-K232 PolarHBondContact O-N 3.38Å |
| 233 | R | 52.7 | Low | 55.5 | Low | 221 Ų | 221 | 158.3 Ų | 158.3 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -81 | -20.1 | -179.4 | -77.9 | -177 | 158.5 | -166.3 | -5.3 | 114.5 | ||
| 234 | S | 54.7 | Low | 55 | Low | 83 Ų | 83 | 155.9 Ų | 155.9 | 58% | 0.58 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -82.9 | -16.5 | -178.3 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 235 | K | 58.9 | Low | 54.3 | Low | 176 Ų | 176 | 157.1 Ų | 157.1 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -81.1 | -14.9 | -178.7 | -74.3 | -169.3 | 174 | -170.1 | 0 | 114.9 | ||
| 236 | K | 57.2 | Low | 54 | Low | 201 Ų | 201 | 159 Ų | 159 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -90.4 | -0.3 | -175.4 | -151.5 | 172.4 | -178.9 | 178.7 | 0 | 114.6 | ||
| 237 | K | 59.4 | Low | 53.6 | Low | 197 Ų | 197 | 157.9 Ų | 157.9 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -108 | 7.3 | -175.8 | -84.7 | -163 | 175.1 | -171.3 | 0 | 116.7 | ||
| 238 | K | 59.7 | Low | 52.9 | Low | 200 Ų | 200 | 164.9 Ų | 164.9 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -112.5 | 49.6 | 178.5 | -86.1 | -162 | 174 | -170.9 | 0 | 114.3 | ||||
| 239 | K | 60.6 | Low | 52.7 | Low | 199 Ų | 199 | 165.2 Ų | 165.2 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -139.3 | 82.9 | 161.2 | -73.2 | -159.6 | 177.9 | -169.6 | 0 | 110 | ||||
| 240 | K | 54.6 | Low | 52.5 | Low | 206 Ų | 206 | 166.9 Ų | 166.9 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | trans | -179.5 | 95.3 | 154.1 | -105.8 | -178.8 | -179.9 | -173.6 | 0 | 108.5 | ||||
| 241 | S | 49.8 | Very low | 52.5 | Low | 132 Ų | 132 | 169.1 Ų | 169.1 | 92% | 0.923 | 83% | 0.826 | S | S | * | * | trans | 166.7 | 125.1 | 149.4 | 55 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 242 | G | 44.2 | Very low | 52.4 | Low | 73 Ų | 73 | 169.9 Ų | 169.9 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | trans | 144.5 | 58.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 243 | S | 42.5 | Very low | 52.2 | Low | 105 Ų | 105 | 170.8 Ų | 170.8 | 73% | 0.734 | 84% | 0.844 | S | S | * | * | 60.4 | 101.1 | 78.5 | -167.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 244 | S | 50.1 | Low | 52.2 | Low | 108 Ų | 108 | 167.4 Ų | 167.4 | 76% | 0.755 | 85% | 0.845 | S | S | * | * | trans | -44 | 133.7 | 167.5 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 245 | H | 46.1 | Very low | 52 | Low | 191 Ų | 191 | 173.4 Ų | 173.4 | 88% | 0.884 | 86% | 0.864 | S | S | * | * | trans | -142.9 | 133.7 | 149.9 | -95.5 | -71.5 | 0 | 0 | 0 | 110.9 | ||||
| 246 | K | 52.5 | Low | 51.4 | Low | 198 Ų | 198 | 173.2 Ų | 173.2 | 86% | 0.861 | 87% | 0.871 | S | S | * | * | trans | -72 | 173.4 | -177.7 | -86.6 | 169.7 | 169.2 | 175.2 | 0 | 113.6 | ||||
| 247 | S | 48.8 | Very low | 51 | Low | 121 Ų | 121 | 170.9 Ų | 170.9 | 85% | 0.846 | 87% | 0.871 | S | S | * | * | trans | 91 | 128.7 | 167.3 | 73.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 248 | R | 43.5 | Very low | 50.2 | Low | 321 Ų | 321 | 168.5 Ų | 168.5 | 100% | 1.211 | 87% | 0.873 | S | S | * | * | cis | -147.3 | 0 | 27.5 | -133.1 | 175.5 | -173.3 | -176.4 | 0.6 | 110.2 |
Retrieved 248 of 248 residues in 71 ms
(Link to these results)