| 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 | 48.1 | Very low | 55.9 | Low | 208 Ų | 208 | 123.8 Ų | 123.8 | 100% | 1.025 | 65% | 0.654 | S | S | * | * | 0 | 39.5 | 0 | -120.8 | 121.7 | 165.8 | 0 | 0 | 110.4 | |||||
| 2 | E | 51 | Low | 56.6 | Low | 151 Ų | 151 | 124.3 Ų | 124.3 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | trans | -103.1 | -16.7 | -161.8 | -140.1 | 71.8 | -157.6 | 0 | 0 | 114.8 | R4 | E2-R4 PolarHBondContact O-N 3.47Š| ||
| 3 | K | 52.4 | Low | 57.2 | Low | 192 Ų | 192 | 119.2 Ų | 119.2 | 84% | 0.835 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -8.2 | -162.5 | -60.8 | -171.6 | 178.3 | -175.2 | 0 | 115.4 | ||
| 4 | R | 54.4 | Low | 57.8 | Low | 195 Ų | 195 | 116.7 Ų | 116.7 | 74% | 0.736 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -21.3 | -177.4 | -72.1 | -171 | -94.9 | 126.8 | -9.7 | 114.2 | E2 | E2-R4 PolarHBondContact O-N 3.47Š|
| 5 | N | 50.8 | Low | 58.2 | Low | 115 Ų | 115 | 119.3 Ų | 119.3 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -80.4 | -28.9 | -177.3 | -66 | -33.5 | 0 | 0 | 0 | 112.7 | S9 | N5-S9 WeakPolarHBondContact O-CB 3.33Å; N5-S9 PolarHBondContact O-N 3.48Å; N5-S9 VanDerWaalsContact O-N 3.12Å |
| 6 | V | 55.9 | Low | 58.9 | Low | 103 Ų | 103 | 115.3 Ų | 115.3 | 62% | 0.624 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.6 | -41.2 | -178 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | S9 A10 | V6-S9 PolarHBondContact O-N 3Å; V6-A10 WeakPolarHBondContact O-CB 3.3Å; V6-A10 PolarHBondContact O-N 3.03Å |
| 7 | T | 56.9 | Low | 59.4 | Low | 85 Ų | 85 | 117.8 Ų | 117.8 | 52% | 0.521 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.4 | -40.4 | -179.7 | -35.6 | 0 | 0 | 0 | 0 | 112 | S9 A10 I11 | T7-S9 VanDerWaalsContact C-N 3.32Å; T7-S9 PolarHBondContact O-N 2.77Å; T7-A10 PolarHBondContact O-N 2.9Å; T7-I11 HydrophobicContact CG2-CD1 4.26Å; T7-I11 VanDerWaalsContact O-CG1 3.29Å; T7-I11 WeakPolarHBondContact O-CG1 3.16Å; T7-I11 PolarHBondContact O-N 3.42Å |
| 8 | A | 56.7 | Low | 59.6 | Low | 63 Ų | 63 | 118 Ų | 118 | 52% | 0.521 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.1 | -38.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F12 | A8-F12 WeakPolarHBondContact O-CB 3.3Å; A8-F12 PolarHBondContact O-N 3.28Å |
| 9 | S | 63.5 | Low | 59.7 | Low | 81 Ų | 81 | 116 Ų | 116 | 57% | 0.566 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.7 | -34.7 | 177.1 | -159 | 0 | 0 | 0 | 0 | 112.5 | N5 V6 T7 A13 | N5-S9 WeakPolarHBondContact O-CB 3.33Å; N5-S9 PolarHBondContact O-N 3.48Å; N5-S9 VanDerWaalsContact O-N 3.12Å; V6-S9 PolarHBondContact O-N 3Å; T7-S9 VanDerWaalsContact C-N 3.32Å; T7-S9 PolarHBondContact O-N 2.77Å; S9-A13 WeakPolarHBondContact O-CB 3.28Å; S9-A13 PolarHBondContact O-N 2.78Å; S9-A13 VanDerWaalsContact O-N 3.09Å |
| 10 | A | 61.7 | Low | 59.7 | Low | 58 Ų | 58 | 115.1 Ų | 115.1 | 48% | 0.479 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V6 T7 F12 A13 D14 | V6-A10 WeakPolarHBondContact O-CB 3.3Å; V6-A10 PolarHBondContact O-N 3.03Å; T7-A10 PolarHBondContact O-N 2.9Å; A10-F12 VanDerWaalsContact C-N 3.31Å; A10-F12 PolarHBondContact O-N 2.86Å; A10-A13 PolarHBondContact O-N 2.94Å; A10-D14 PolarHBondContact O-N 3.04Å |
| 11 | I | 63.8 | Low | 59.7 | Low | 111 Ų | 111 | 115.6 Ų | 115.6 | 57% | 0.569 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.2 | -39 | 176.3 | -65.6 | 165.4 | 0 | 0 | 0 | 110.8 | T7 D14 W15 | T7-I11 HydrophobicContact CG2-CD1 4.26Å; T7-I11 VanDerWaalsContact O-CG1 3.29Å; T7-I11 WeakPolarHBondContact O-CG1 3.16Å; T7-I11 PolarHBondContact O-N 3.42Å; I11-D14 PolarHBondContact O-N 3.09Å; I11-W15 WeakPolarHBondContact O-CB 3.23Å; I11-W15 PolarHBondContact O-N 2.86Å |
| 12 | F | 64 | Low | 60.1 | Low | 129 Ų | 129 | 112.9 Ų | 112.9 | 57% | 0.566 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.2 | -41.4 | 176.1 | -174 | -96.7 | 0 | 0 | 0 | 112.6 | A8 A10 T16 | A8-F12 WeakPolarHBondContact O-CB 3.3Å; A8-F12 PolarHBondContact O-N 3.28Å; A10-F12 VanDerWaalsContact C-N 3.31Å; A10-F12 PolarHBondContact O-N 2.86Å; F12-T16 WeakPolarHBondContact O-CB 3.4Å; F12-T16 PolarHBondContact O-N 2.99Å; F12-T16 VanDerWaalsContact O-N 3.08Å; F12-T16 PolarHBondContact O-OG1 3.33Å |
| 13 | A | 64.8 | Low | 60.4 | Low | 59 Ų | 59 | 112.4 Ų | 112.4 | 49% | 0.488 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | S9 A10 T16 R17 | S9-A13 WeakPolarHBondContact O-CB 3.28Å; S9-A13 PolarHBondContact O-N 2.78Å; S9-A13 VanDerWaalsContact O-N 3.09Å; A10-A13 PolarHBondContact O-N 2.94Å; A13-T16 PolarHBondContact O-N 3Å; A13-R17 WeakPolarHBondContact O-CB 3.46Å; A13-R17 PolarHBondContact O-N 2.82Å; A13-R17 VanDerWaalsContact O-N 3.08Å |
| 14 | D | 64.8 | Low | 60.6 | Low | 84 Ų | 84 | 106.9 Ų | 106.9 | 45% | 0.449 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -75.2 | -33.2 | -178.2 | -142.2 | 37.3 | 0 | 0 | 0 | 112.4 | A10 I11 R17 M18 | A10-D14 PolarHBondContact O-N 3.04Å; I11-D14 PolarHBondContact O-N 3.09Å; D14-R17 PolarHBondContact O-N 2.98Å; D14-R17 IonicContact OD1-CZ 2.68Å; D14-R17 IonicContact OD1-NH1 3.41Å; D14-R17 PolarHBondContact OD1-NH1 3.39Å; D14-M18 PolarHBondContact O-N 2.8Å |
| 15 | W | 64.4 | Low | 60.9 | Low | 155 Ų | 155 | 104.1 Ų | 104.1 | 59% | 0.587 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.2 | -41.2 | 170 | -175.4 | 70.1 | 0 | 0 | 0 | 112.4 | I11 R17 M18 V19 | I11-W15 WeakPolarHBondContact O-CB 3.23Å; I11-W15 PolarHBondContact O-N 2.86Å; W15-R17 VanDerWaalsContact C-N 3.3Å; W15-R17 PolarHBondContact O-N 2.93Å; W15-M18 PolarHBondContact O-N 3.11Å; W15-M18 VanDerWaalsContact O-N 3.16Å; W15-V19 HydrophobicContact CD2-CG2 4.49Å; W15-V19 HydrophobicContact CZ2-CG2 4.33Å; W15-V19 WeakPolarHBondContact O-CG2 3.29Å; W15-V19 PolarHBondContact O-N 2.85Å |
| 16 | T | 68.6 | Low | 61.4 | Low | 56 Ų | 56 | 106.9 Ų | 106.9 | 34% | 0.344 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60 | -43.3 | 176.2 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | F12 A13 M18 V19 D20 | F12-T16 WeakPolarHBondContact O-CB 3.4Å; F12-T16 PolarHBondContact O-N 2.99Å; F12-T16 VanDerWaalsContact O-N 3.08Å; F12-T16 PolarHBondContact O-OG1 3.33Å; A13-T16 PolarHBondContact O-N 3Å; T16-M18 VanDerWaalsContact C-N 3.34Å; T16-M18 PolarHBondContact O-N 3.34Å; T16-V19 PolarHBondContact O-N 3.22Å; T16-D20 PolarHBondContact O-N 2.9Å; T16-D20 VanDerWaalsContact O-N 3.07Å |
| 17 | R | 68.6 | Low | 61.7 | Low | 157 Ų | 157 | 108.3 Ų | 108.3 | 59% | 0.592 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.2 | -33.6 | 175.6 | 179.2 | 177.7 | 154.9 | -144.6 | 0.4 | 113.4 | A13 D14 W15 V19 N21 | A13-R17 WeakPolarHBondContact O-CB 3.46Å; A13-R17 PolarHBondContact O-N 2.82Å; A13-R17 VanDerWaalsContact O-N 3.08Å; D14-R17 PolarHBondContact O-N 2.98Å; D14-R17 IonicContact OD1-CZ 2.68Å; D14-R17 IonicContact OD1-NH1 3.41Å; D14-R17 PolarHBondContact OD1-NH1 3.39Å; W15-R17 VanDerWaalsContact C-N 3.3Å; W15-R17 PolarHBondContact O-N 2.93Å; R17-V19 VanDerWaalsContact C-N 3.34Å; R17-N21 PolarHBondContact O-N 3.47Å; R17-N21 PolarHBondContact O-OD1 3Å; R17-N21 VanDerWaalsContact O-OD1 3.09Å |
| 18 | M | 61.9 | Low | 62.3 | Low | 122 Ų | 122 | 109 Ų | 109 | 60% | 0.601 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69 | -32.6 | 175.6 | -167.9 | -178.7 | 77.5 | 0 | 0 | 112.5 | D14 W15 T16 | D14-M18 PolarHBondContact O-N 2.8Å; W15-M18 PolarHBondContact O-N 3.11Å; W15-M18 VanDerWaalsContact O-N 3.16Å; T16-M18 VanDerWaalsContact C-N 3.34Å; T16-M18 PolarHBondContact O-N 3.34Å |
| 19 | V | 61.6 | Low | 63.4 | Low | 80 Ų | 80 | 109.5 Ų | 109.5 | 49% | 0.485 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -77.2 | -36.8 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | W15 T16 R17 N21 F22 | W15-V19 HydrophobicContact CD2-CG2 4.49Å; W15-V19 HydrophobicContact CZ2-CG2 4.33Å; W15-V19 WeakPolarHBondContact O-CG2 3.29Å; W15-V19 PolarHBondContact O-N 2.85Å; T16-V19 PolarHBondContact O-N 3.22Å; R17-V19 VanDerWaalsContact C-N 3.34Å; V19-N21 PolarHBondContact O-N 3.28Å; V19-F22 PolarHBondContact O-N 3.31Å |
| 20 | D | 60.2 | Low | 64.1 | Low | 97 Ų | 97 | 109.8 Ų | 109.8 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.9 | -25.5 | 174.4 | -85.5 | -45.1 | 0 | 0 | 0 | 113.2 | T16 F22 D23 | T16-D20 PolarHBondContact O-N 2.9Å; T16-D20 VanDerWaalsContact O-N 3.07Å; D20-F22 PolarHBondContact O-N 2.92Å; D20-F22 VanDerWaalsContact O-N 3.16Å; D20-D23 PolarHBondContact O-N 2.99Å; D20-D23 VanDerWaalsContact O-N 3.17Å |
| 21 | N | 58.7 | Low | 65.2 | Low | 127 Ų | 127 | 109 Ų | 109 | 68% | 0.679 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -12.9 | 177.9 | -83.3 | 27.1 | 0 | 0 | 0 | 113.9 | R17 V19 | R17-N21 PolarHBondContact O-N 3.47Å; R17-N21 PolarHBondContact O-OD1 3Å; R17-N21 VanDerWaalsContact O-OD1 3.09Å; V19-N21 PolarHBondContact O-N 3.28Å |
| 22 | F | 57.1 | Low | 66.2 | Low | 150 Ų | 150 | 109 Ų | 109 | 66% | 0.658 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -17.1 | 174.7 | -99.2 | -90.3 | 0 | 0 | 0 | 113.7 | V19 D20 G24 Q25 | V19-F22 PolarHBondContact O-N 3.31Å; D20-F22 PolarHBondContact O-N 2.92Å; D20-F22 VanDerWaalsContact O-N 3.16Å; F22-G24 PolarHBondContact O-N 3.08Å; F22-Q25 PolarHBondContact O-N 2.76Å |
| 23 | D | 57 | Low | 67.3 | Low | 141 Ų | 141 | 106.4 Ų | 106.4 | 75% | 0.754 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -8.2 | -178.8 | -95.1 | -40.7 | 0 | 0 | 0 | 113.6 | D20 | D20-D23 PolarHBondContact O-N 2.99Å; D20-D23 VanDerWaalsContact O-N 3.17Å |
| 24 | G | 57.2 | Low | 68.3 | Low | 76 Ų | 76 | 111.4 Ų | 111.4 | 78% | 0.784 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -7.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F22 | F22-G24 PolarHBondContact O-N 3.08Š|
| 25 | Q | 60.3 | Low | 69.3 | Low | 137 Ų | 137 | 111.1 Ų | 111.1 | 64% | 0.64 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -88.8 | 124.1 | 177.1 | -169.6 | 170.2 | -22.6 | 0 | 0 | 108.1 | F22 V27 | F22-Q25 PolarHBondContact O-N 2.76Å; Q25-V27 PolarHBondContact O-N 2.79Å |
| 26 | E | 61 | Low | 70.3 | Confident | 174 Ų | 174 | 109.3 Ų | 109.3 | 81% | 0.813 | 58% | 0.583 | S | S | * | * | trans | -50.1 | 111.9 | 172.3 | -83.5 | -175.6 | 164.5 | 0 | 0 | 108.5 | Q28 | E26-Q28 PolarHBondContact O-N 3.31Š| ||
| 27 | V | 62.8 | Low | 71.2 | Confident | 132 Ų | 132 | 110.3 Ų | 110.3 | 80% | 0.8 | 59% | 0.585 | S | S | * | * | trans | -70.2 | 85.3 | 177.3 | -178.2 | 0 | 0 | 0 | 0 | 106.3 | Q25 T29 | Q25-V27 PolarHBondContact O-N 2.79Å; V27-T29 PolarHBondContact O-N 3.33Å | ||
| 28 | Q | 69.4 | Low | 71.6 | Confident | 101 Ų | 101 | 106.5 Ų | 106.5 | 47% | 0.472 | 58% | 0.582 | S | S | . | * | trans | -55.3 | 127.5 | 168.4 | -72.5 | -175 | -18.1 | 0 | 0 | 107.2 | E26 L33 | E26-Q28 PolarHBondContact O-N 3.31Å; Q28-L33 HydrophobicContact CB-CD1 4.46Å; Q28-L33 HydrophobicContact CB-CG 4.27Å | ||
| 29 | T | 81.1 | Confident | 72.5 | Confident | 72 Ų | 72 | 105.1 Ų | 105.1 | 44% | 0.442 | 58% | 0.584 | S | S | . | * | trans | -63.6 | 144.9 | 177.9 | 66.4 | 0 | 0 | 0 | 0 | 108.1 | V27 G31 E32 L33 | V27-T29 PolarHBondContact O-N 3.33Å; T29-G31 PolarHBondContact O-N 3.31Å; T29-E32 VanDerWaalsContact CB-OE2 3.3Å; T29-E32 WeakPolarHBondContact CB-OE2 3.41Å; T29-E32 WeakPolarHBondContact CG2-OE2 3.42Å; T29-E32 PolarHBondContact N-OE2 3.4Å; T29-E32 PolarHBondContact O-N 3.42Å; T29-E32 VanDerWaalsContact OG1-CG 3.31Å; T29-E32 WeakPolarHBondContact OG1-CG 3.46Å; T29-E32 PolarHBondContact OG1-N 2.96Å; T29-E32 PolarHBondContact OG1-OE2 3.34Å; T29-L33 PolarHBondContact O-N 3.05Å; T29-L33 VanDerWaalsContact O-N 3.12Å | ||
| 30 | S | 76.9 | Confident | 73.2 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 62% | 0.615 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -53.5 | -31.5 | 174.8 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | W34 | S30-W34 PolarHBondContact O-N 2.85Å |
| 31 | G | 84.4 | Confident | 74.2 | Confident | 40 Ų | 40 | 106.5 Ų | 106.5 | 41% | 0.412 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65 | -39.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T29 S35 | T29-G31 PolarHBondContact O-N 3.31Å; G31-S35 WeakPolarHBondContact O-CB 3.48Å; G31-S35 PolarHBondContact O-N 3.19Å; G31-S35 PolarHBondContact O-OG 3.43Å |
| 32 | E | 85 | Confident | 75 | Confident | 111 Ų | 111 | 105.6 Ų | 105.6 | 52% | 0.519 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.4 | -41 | 176.4 | -75.4 | 150 | 163.1 | 0 | 0 | 111.4 | T29 S35 Q36 | T29-E32 VanDerWaalsContact CB-OE2 3.3Å; T29-E32 WeakPolarHBondContact CB-OE2 3.41Å; T29-E32 WeakPolarHBondContact CG2-OE2 3.42Å; T29-E32 PolarHBondContact N-OE2 3.4Å; T29-E32 PolarHBondContact O-N 3.42Å; T29-E32 VanDerWaalsContact OG1-CG 3.31Å; T29-E32 WeakPolarHBondContact OG1-CG 3.46Å; T29-E32 PolarHBondContact OG1-N 2.96Å; T29-E32 PolarHBondContact OG1-OE2 3.34Å; E32-S35 WeakPolarHBondContact O-CB 3.23Å; E32-S35 PolarHBondContact O-N 3.13Å; E32-Q36 PolarHBondContact O-N 3.29Å |
| 33 | L | 87.4 | Confident | 75.2 | Confident | 76 Ų | 76 | 107.2 Ų | 107.2 | 40% | 0.398 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.3 | -47.8 | 172.9 | -86.8 | 165.6 | 0 | 0 | 0 | 111.7 | Q28 T29 S35 Q36 I37 | Q28-L33 HydrophobicContact CB-CD1 4.46Å; Q28-L33 HydrophobicContact CB-CG 4.27Å; T29-L33 PolarHBondContact O-N 3.05Å; T29-L33 VanDerWaalsContact O-N 3.12Å; L33-S35 VanDerWaalsContact C-N 3.31Å; L33-S35 PolarHBondContact O-N 2.85Å; L33-Q36 PolarHBondContact O-N 2.78Å; L33-I37 WeakPolarHBondContact O-CD1 3.38Å; L33-I37 VanDerWaalsContact O-CG1 3.25Å; L33-I37 WeakPolarHBondContact O-CG1 3.43Å; L33-I37 PolarHBondContact O-N 3.28Å |
| 34 | W | 85.6 | Confident | 75.2 | Confident | 164 Ų | 164 | 106.6 Ų | 106.6 | 62% | 0.621 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.5 | -36.8 | 176.9 | -77.5 | 117.1 | 0 | 0 | 0 | 112.2 | S30 Q36 I37 C38 | S30-W34 PolarHBondContact O-N 2.85Å; W34-Q36 VanDerWaalsContact C-N 3.34Å; W34-I37 HydrophobicContact CD2-CD1 4.41Å; W34-I37 HydrophobicContact CE3-CB 4.44Å; W34-I37 HydrophobicContact CE3-CD1 3.95Å; W34-I37 HydrophobicContact CE3-CG2 4.41Å; W34-I37 HydrophobicContact CZ3-CD1 4.2Å; W34-I37 HydrophobicContact CZ3-CG2 4.48Å; W34-I37 PolarHBondContact O-N 2.68Å; W34-C38 WeakPolarHBondContact O-CB 3.32Å; W34-C38 PolarHBondContact O-N 3.22Å; W34-C38 PolarHBondContact O-SG 3.39Å |
| 35 | S | 86.1 | Confident | 75.1 | Confident | 78 Ų | 78 | 111.2 Ų | 111.2 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.4 | -41.8 | 175.2 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | G31 E32 L33 C38 S39 | G31-S35 WeakPolarHBondContact O-CB 3.48Å; G31-S35 PolarHBondContact O-N 3.19Å; G31-S35 PolarHBondContact O-OG 3.43Å; E32-S35 WeakPolarHBondContact O-CB 3.23Å; E32-S35 PolarHBondContact O-N 3.13Å; L33-S35 VanDerWaalsContact C-N 3.31Å; L33-S35 PolarHBondContact O-N 2.85Å; S35-C38 PolarHBondContact O-N 3.33Å; S35-S39 WeakPolarHBondContact O-CB 3.37Å; S35-S39 PolarHBondContact O-N 3.25Å; S35-S39 PolarHBondContact O-OG 3.28Å |
| 36 | Q | 86.3 | Confident | 74.9 | Confident | 117 Ų | 117 | 108.5 Ų | 108.5 | 55% | 0.547 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.1 | -44 | 174.4 | -175.3 | 174.4 | -7.3 | 0 | 0 | 111.7 | E32 L33 W34 S39 S40 | E32-Q36 PolarHBondContact O-N 3.29Å; L33-Q36 PolarHBondContact O-N 2.78Å; W34-Q36 VanDerWaalsContact C-N 3.34Å; Q36-S39 WeakPolarHBondContact CA-OG 3.37Å; Q36-S39 PolarHBondContact O-N 2.76Å; Q36-S39 PolarHBondContact O-OG 2.98Å; Q36-S40 PolarHBondContact O-N 3.48Å |
| 37 | I | 86 | Confident | 74.6 | Confident | 76 Ų | 76 | 105.4 Ų | 105.4 | 39% | 0.39 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61 | -47.9 | 175.8 | -66.7 | 162.8 | 0 | 0 | 0 | 110.5 | L33 W34 S39 S40 | L33-I37 WeakPolarHBondContact O-CD1 3.38Å; L33-I37 VanDerWaalsContact O-CG1 3.25Å; L33-I37 WeakPolarHBondContact O-CG1 3.43Å; L33-I37 PolarHBondContact O-N 3.28Å; W34-I37 HydrophobicContact CD2-CD1 4.41Å; W34-I37 HydrophobicContact CE3-CB 4.44Å; W34-I37 HydrophobicContact CE3-CD1 3.95Å; W34-I37 HydrophobicContact CE3-CG2 4.41Å; W34-I37 HydrophobicContact CZ3-CD1 4.2Å; W34-I37 HydrophobicContact CZ3-CG2 4.48Å; W34-I37 PolarHBondContact O-N 2.68Å; I37-S39 VanDerWaalsContact C-N 3.32Å; I37-S39 PolarHBondContact O-N 2.94Å; I37-S40 PolarHBondContact O-N 3.42Å; I37-S40 VanDerWaalsContact O-N 3.13Å; I37-S40 PolarHBondContact O-OG 2.88Å |
| 38 | C | 77.2 | Confident | 74.2 | Confident | 78 Ų | 78 | 107 Ų | 107 | 53% | 0.527 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.5 | -35.8 | 179.1 | -70 | 0 | 0 | 0 | 0 | 112.7 | W34 S35 S40 L41 | W34-C38 WeakPolarHBondContact O-CB 3.32Å; W34-C38 PolarHBondContact O-N 3.22Å; W34-C38 PolarHBondContact O-SG 3.39Å; S35-C38 PolarHBondContact O-N 3.33Å; C38-S40 PolarHBondContact O-N 2.97Å; C38-L41 PolarHBondContact O-N 2.91Å |
| 39 | S | 81.9 | Confident | 73.8 | Confident | 93 Ų | 93 | 108.5 Ų | 108.5 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71 | -16 | 176.6 | 62.6 | 0 | 0 | 0 | 0 | 114.3 | S35 Q36 I37 | S35-S39 WeakPolarHBondContact O-CB 3.37Å; S35-S39 PolarHBondContact O-N 3.25Å; S35-S39 PolarHBondContact O-OG 3.28Å; Q36-S39 WeakPolarHBondContact CA-OG 3.37Å; Q36-S39 PolarHBondContact O-N 2.76Å; Q36-S39 PolarHBondContact O-OG 2.98Å; I37-S39 VanDerWaalsContact C-N 3.32Å; I37-S39 PolarHBondContact O-N 2.94Å |
| 40 | S | 75.8 | Confident | 72.1 | Confident | 93 Ų | 93 | 109.8 Ų | 109.8 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -7.6 | 176.1 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | Q36 I37 C38 | Q36-S40 PolarHBondContact O-N 3.48Å; I37-S40 PolarHBondContact O-N 3.42Å; I37-S40 VanDerWaalsContact O-N 3.13Å; I37-S40 PolarHBondContact O-OG 2.88Å; C38-S40 PolarHBondContact O-N 2.97Å |
| 41 | L | 82.2 | Confident | 70.8 | Confident | 112 Ų | 112 | 111.9 Ų | 111.9 | 59% | 0.586 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -77.5 | 141.2 | 175.1 | -66.3 | 172 | 0 | 0 | 0 | 109.8 | C38 E43 | C38-L41 PolarHBondContact O-N 2.91Å; L41-E43 PolarHBondContact O-N 3.24Å |
| 42 | P | 74.3 | Confident | 69.4 | Low | 109 Ų | 109 | 117.9 Ų | 117.9 | 71% | 0.708 | 66% | 0.66 | S | S | * | * | trans | -59.8 | 129.5 | 174.4 | 24.6 | -31.7 | 0 | 0 | 0 | 109.3 | V44 | P42-V44 PolarHBondContact O-N 2.79Š| ||
| 43 | E | 60.8 | Low | 68 | Low | 184 Ų | 184 | 121.8 Ų | 121.8 | 86% | 0.86 | 68% | 0.676 | S | S | * | * | trans | -60.6 | 103.1 | 174.6 | -174.6 | 147.9 | -174.7 | 0 | 0 | 108.7 | L41 Q45 | L41-E43 PolarHBondContact O-N 3.24Å; E43-Q45 VanDerWaalsContact C-N 3.3Å; E43-Q45 PolarHBondContact O-N 2.64Å | ||
| 44 | V | 57.6 | Low | 66.6 | Low | 127 Ų | 127 | 123 Ų | 123 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | trans | -69.5 | 95.9 | 173.8 | 180 | 0 | 0 | 0 | 0 | 105.8 | P42 A46 | P42-V44 PolarHBondContact O-N 2.79Å; V44-A46 PolarHBondContact O-N 2.86Å | ||
| 45 | Q | 55.9 | Low | 64.8 | Low | 173 Ų | 173 | 119.9 Ų | 119.9 | 81% | 0.808 | 68% | 0.682 | S | S | * | * | trans | -52.9 | 126 | 167.3 | -67.4 | -171.7 | 18.8 | 0 | 0 | 107.6 | E43 P47 | E43-Q45 VanDerWaalsContact C-N 3.3Å; E43-Q45 PolarHBondContact O-N 2.64Å; Q45-P47 WeakPolarHBondContact O-CD 3.4Å; Q45-P47 VanDerWaalsContact O-N 3.15Å | ||
| 46 | A | 55.5 | Low | 63.7 | Low | 80 Ų | 80 | 121.3 Ų | 121.3 | 66% | 0.661 | 69% | 0.692 | S | S | * | * | trans | -49 | 123.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | V44 E48 | V44-A46 PolarHBondContact O-N 2.86Å; A46-E48 PolarHBondContact O-N 3.21Å | ||
| 47 | P | 54 | Low | 62.2 | Low | 109 Ų | 109 | 124.1 Ų | 124.1 | 71% | 0.708 | 70% | 0.703 | S | S | * | * | trans | -65.6 | 103.3 | 174.6 | 23.5 | -29.4 | 0 | 0 | 0 | 108.3 | Q45 T49 | Q45-P47 WeakPolarHBondContact O-CD 3.4Å; Q45-P47 VanDerWaalsContact O-N 3.15Å; P47-T49 PolarHBondContact O-N 2.96Å | ||
| 48 | E | 55.7 | Low | 60.7 | Low | 165 Ų | 165 | 127.9 Ų | 127.9 | 77% | 0.771 | 72% | 0.718 | S | S | * | * | trans | -49.2 | 121.4 | 159.7 | -72.2 | -74.2 | 137.4 | 0 | 0 | 108.5 | A46 | A46-E48 PolarHBondContact O-N 3.21Š| ||
| 49 | T | 60.7 | Low | 59.4 | Low | 134 Ų | 134 | 130.1 Ų | 130.1 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | 68 | 86.2 | 163.7 | 69.8 | 0 | 0 | 0 | 0 | 117.5 | P47 | P47-T49 PolarHBondContact O-N 2.96Š| ||
| 50 | S | 45.4 | Very low | 57.8 | Low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | trans | -146.7 | 151 | 149.7 | 69.7 | 0 | 0 | 0 | 0 | 109.8 | E52 | S50-E52 PolarHBondContact O-N 3.07Š| ||
| 51 | P | 49.5 | Very low | 56.6 | Low | 132 Ų | 132 | 130.2 Ų | 130.2 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | trans | -72 | 120.4 | -144.8 | 27.4 | -34.2 | 0 | 0 | 0 | 113.8 | F53 | P51-F53 PolarHBondContact O-N 3.17Š| ||
| 52 | E | 55.2 | Low | 55 | Low | 165 Ų | 165 | 134 Ų | 134 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | trans | -3 | 99.1 | 158.1 | -162.3 | 149.7 | 177.5 | 0 | 0 | 117 | S50 T54 | S50-E52 PolarHBondContact O-N 3.07Å; E52-T54 HydrophobicContact CG-CG2 3.96Å; E52-T54 PolarHBondContact O-N 3.2Å | ||
| 53 | F | 54 | Low | 53.3 | Low | 194 Ų | 194 | 137.8 Ų | 137.8 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | -72.1 | 105.3 | 154.9 | -166.6 | -93.6 | 0 | 0 | 0 | 107.3 | P51 D55 | P51-F53 PolarHBondContact O-N 3.17Å; F53-D55 PolarHBondContact O-N 3.44Å; F53-D55 VanDerWaalsContact O-N 3.09Å | ||
| 54 | T | 58 | Low | 52.5 | Low | 102 Ų | 102 | 137.1 Ų | 137.1 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | trans | -74.5 | 98.9 | 179.9 | 33.2 | 0 | 0 | 0 | 0 | 110.1 | E52 S56 | E52-T54 HydrophobicContact CG-CG2 3.96Å; E52-T54 PolarHBondContact O-N 3.2Å; T54-S56 PolarHBondContact O-N 2.89Å | ||
| 55 | D | 49 | Very low | 51.8 | Low | 97 Ų | 97 | 137.1 Ų | 137.1 | 52% | 0.519 | 76% | 0.763 | S | S | . | * | trans | -68.2 | 112.6 | 169.8 | -166.5 | 11.8 | 0 | 0 | 0 | 109.4 | F53 F57 H58 | F53-D55 PolarHBondContact O-N 3.44Å; F53-D55 VanDerWaalsContact O-N 3.09Å; D55-F57 PolarHBondContact O-N 3.47Å; D55-F57 WeakPolarHBondContact OD1-CD2 3.46Å; D55-H58 PolarHBondContact O-CE1 3.29Å; D55-H58 VanDerWaalsContact O-CE1 3.28Å; D55-H58 PolarHBondContact O-ND1 3.32Å | ||
| 56 | S | 62.9 | Low | 51.3 | Low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -77.6 | 30.3 | -173 | -72.2 | 0 | 0 | 0 | 0 | 113.9 | T54 | T54-S56 PolarHBondContact O-N 2.89Š|
| 57 | F | 54.3 | Low | 50.6 | Low | 176 Ų | 176 | 138.7 Ų | 138.7 | 77% | 0.772 | 77% | 0.774 | S | S | * | * | trans | -117.7 | 46.7 | 179.2 | -68.4 | -74.6 | 0 | 0 | 0 | 112.7 | D55 P59 | D55-F57 PolarHBondContact O-N 3.47Å; D55-F57 WeakPolarHBondContact OD1-CD2 3.46Å; F57-P59 WeakPolarHBondContact O-CD 3.37Å | ||
| 58 | H | 55.4 | Low | 49.8 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -91.3 | 111.5 | 168.9 | -66.7 | 82.7 | 0 | 0 | 0 | 109.4 | D55 A60 | D55-H58 PolarHBondContact O-CE1 3.29Å; D55-H58 VanDerWaalsContact O-CE1 3.28Å; D55-H58 PolarHBondContact O-ND1 3.32Å; H58-A60 PolarHBondContact O-N 3.38Å | ||
| 59 | P | 48.5 | Very low | 48.9 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -67.8 | 122.4 | 170.4 | -4.6 | 21.2 | 0 | 0 | 0 | 107.2 | F57 A61 | F57-P59 WeakPolarHBondContact O-CD 3.37Å; P59-A61 PolarHBondContact O-N 3.33Å | ||
| 60 | A | 49.7 | Very low | 48.4 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -56.4 | 114.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | H58 H62 | H58-A60 PolarHBondContact O-N 3.38Å; A60-H62 PolarHBondContact O-N 2.97Å | ||
| 61 | A | 50.3 | Low | 48.2 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -57.3 | 129.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109 | P59 H63 | P59-A61 PolarHBondContact O-N 3.33Å; A61-H63 PolarHBondContact O-N 2.92Å | ||
| 62 | H | 48.6 | Very low | 48.1 | Very low | 193 Ų | 193 | 140.5 Ų | 140.5 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -50.5 | 108.5 | 177.7 | -83 | -103.6 | 0 | 0 | 0 | 110.7 | A60 | A60-H62 PolarHBondContact O-N 2.97Š| ||
| 63 | H | 37.3 | Very low | 47.9 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -108.9 | 107.3 | 162.6 | -138.5 | 72.9 | 0 | 0 | 0 | 107.6 | A61 | A61-H63 PolarHBondContact O-N 2.92Š| ||
| 64 | E | 45.3 | Very low | 47.1 | Very low | 170 Ų | 170 | 133 Ų | 133 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -62.1 | 136.6 | 164.3 | -66.5 | -177.8 | 148.9 | 0 | 0 | 108.8 | ||||
| 65 | V | 41.9 | Very low | 46.7 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | 158.2 | 107.9 | 129.8 | 167.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 66 | Q | 46.2 | Very low | 46.7 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | 31.4 | 119.5 | 143.5 | -73.9 | 173.2 | -25.8 | 0 | 0 | 122.6 | ||||
| 67 | A | 41.6 | Very low | 46.2 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | 75.2 | 115.2 | 120.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 68 | G | 37.4 | Very low | 46.1 | Very low | 79 Ų | 79 | 130.4 Ų | 130.4 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | 121.1 | 84.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 69 | A | 36.4 | Very low | 46.3 | Very low | 96 Ų | 96 | 126.1 Ų | 126.1 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | 171 | 123.9 | 138.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V71 | A69-V71 PolarHBondContact O-N 3.24Š| ||
| 70 | Q | 50.5 | Low | 47 | Very low | 208 Ų | 208 | 129.3 Ų | 129.3 | 97% | 0.972 | 80% | 0.798 | S | S | * | * | trans | -64.2 | 122.4 | 169.4 | -68.8 | -145.1 | -65.2 | 0 | 0 | 109.9 | ||||
| 71 | V | 39.8 | Very low | 47.4 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | -137.9 | 136.8 | 154.6 | 79.8 | 0 | 0 | 0 | 0 | 108.6 | A69 | A69-V71 PolarHBondContact O-N 3.24Š| ||
| 72 | N | 48.3 | Very low | 48.5 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -41.1 | 142.9 | 178.9 | -97.4 | -24 | 0 | 0 | 0 | 114.5 | ||
| 73 | G | 51.1 | Low | 49.6 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 97 | 77 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 74 | T | 36.9 | Very low | 51.1 | Low | 128 Ų | 128 | 132.9 Ų | 132.9 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -139.2 | 101.5 | 169.6 | 14.1 | 0 | 0 | 0 | 0 | 109.7 | S76 | T74-S76 PolarHBondContact O-N 3.15Š| ||
| 75 | S | 50.5 | Low | 52.4 | Low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -55.9 | 93 | 152.2 | 46.9 | 0 | 0 | 0 | 0 | 107.9 | P77 | S75-P77 WeakPolarHBondContact O-CD 3.43Š| ||
| 76 | S | 49 | Very low | 54.2 | Low | 88 Ų | 88 | 131.6 Ų | 131.6 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | trans | -73.1 | 119.2 | 172.6 | -152.7 | 0 | 0 | 0 | 0 | 108 | T74 S78 | T74-S76 PolarHBondContact O-N 3.15Å; S76-S78 PolarHBondContact O-N 2.83Å | ||
| 77 | P | 51.7 | Low | 56.1 | Low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -82.2 | 62.7 | 167.8 | 35.8 | -29.6 | 0 | 0 | 0 | 107.3 | S75 | S75-P77 WeakPolarHBondContact O-CD 3.43Š| ||
| 78 | S | 52 | Low | 58.2 | Low | 93 Ų | 93 | 127.7 Ų | 127.7 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | trans | -103.4 | 17.3 | 176.9 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | S76 Q80 | S76-S78 PolarHBondContact O-N 2.83Å; S78-Q80 VanDerWaalsContact C-N 3.26Å; S78-Q80 PolarHBondContact O-N 2.89Å | ||
| 79 | A | 60.2 | Low | 60.6 | Low | 66 Ų | 66 | 127.9 Ų | 127.9 | 55% | 0.545 | 73% | 0.727 | S | S | . | * | trans | -68.8 | 95.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | W81 | A79-W81 PolarHBondContact O-N 2.74Š| ||
| 80 | Q | 62.3 | Low | 63.2 | Low | 192 Ų | 192 | 130.1 Ų | 130.1 | 90% | 0.897 | 72% | 0.716 | S | S | * | * | trans | -62.6 | 92.8 | 165.8 | -163.8 | 175.6 | 4.3 | 0 | 0 | 105.5 | S78 K82 | S78-Q80 VanDerWaalsContact C-N 3.26Å; S78-Q80 PolarHBondContact O-N 2.89Å; Q80-K82 VanDerWaalsContact C-N 3.29Å; Q80-K82 PolarHBondContact O-N 3.15Å | ||
| 81 | W | 59.1 | Low | 65.2 | Low | 228 Ų | 228 | 124.4 Ų | 124.4 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | trans | -59.5 | 95.7 | -179.1 | -67.9 | 88.7 | 0 | 0 | 0 | 107.5 | A79 P83 | A79-W81 PolarHBondContact O-N 2.74Å; W81-P83 WeakPolarHBondContact O-CD 3.14Å | ||
| 82 | K | 71.9 | Confident | 67.6 | Low | 176 Ų | 176 | 120.8 Ų | 120.8 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -66 | 121.3 | 166.8 | -175.4 | 176.2 | 177 | 178.8 | 0 | 105.4 | Q80 M84 | Q80-K82 VanDerWaalsContact C-N 3.29Å; Q80-K82 PolarHBondContact O-N 3.15Å; K82-M84 PolarHBondContact O-N 2.94Å; K82-M84 VanDerWaalsContact O-N 3.09Å |
| 83 | P | 71.7 | Confident | 69.6 | Low | 104 Ų | 104 | 115.9 Ų | 115.9 | 68% | 0.675 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -51 | 123.5 | 173.6 | -25.4 | 34.6 | 0 | 0 | 0 | 108.4 | W81 E85 | W81-P83 WeakPolarHBondContact O-CD 3.14Å; P83-E85 PolarHBondContact O-N 3.35Å |
| 84 | M | 68.9 | Low | 71.5 | Confident | 135 Ų | 135 | 115.5 Ų | 115.5 | 67% | 0.665 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 135.3 | 176.5 | -143.4 | 175.4 | -44.2 | 0 | 0 | 107.6 | K82 D86 S87 | K82-M84 PolarHBondContact O-N 2.94Å; K82-M84 VanDerWaalsContact O-N 3.09Å; M84-D86 VanDerWaalsContact CG-OD1 3.23Å; M84-D86 WeakPolarHBondContact CG-OD1 3.28Å; M84-D86 PolarHBondContact O-N 3.39Å; M84-S87 VanDerWaalsContact O-CB 3.28Å; M84-S87 WeakPolarHBondContact O-CB 3.33Å; M84-S87 PolarHBondContact O-N 3.27Å; M84-S87 PolarHBondContact O-OG 3.35Å |
| 85 | E | 72.3 | Confident | 74 | Confident | 187 Ų | 187 | 114.8 Ų | 114.8 | 87% | 0.874 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -26.6 | -174.4 | -164.6 | 73.6 | -152.3 | 0 | 0 | 112.6 | P83 | P83-E85 PolarHBondContact O-N 3.35Š|
| 86 | D | 81.4 | Confident | 75.7 | Confident | 84 Ų | 84 | 112.2 Ų | 112.2 | 45% | 0.449 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.1 | 5.1 | -179.1 | 65.5 | -27.5 | 0 | 0 | 0 | 113.9 | M84 E88 S89 Y90 | M84-D86 VanDerWaalsContact CG-OD1 3.23Å; M84-D86 WeakPolarHBondContact CG-OD1 3.28Å; M84-D86 PolarHBondContact O-N 3.39Å; D86-E88 VanDerWaalsContact C-N 3.32Å; D86-E88 PolarHBondContact O-N 3.12Å; D86-S89 WeakPolarHBondContact O-CB 3.31Å; D86-S89 PolarHBondContact O-N 3.31Å; D86-Y90 PolarHBondContact O-N 3.45Å |
| 87 | S | 84.9 | Confident | 77.7 | Confident | 40 Ų | 40 | 115.4 Ų | 115.4 | 28% | 0.28 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -56.7 | -42.6 | -176 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | M84 S89 Y90 L91 | M84-S87 VanDerWaalsContact O-CB 3.28Å; M84-S87 WeakPolarHBondContact O-CB 3.33Å; M84-S87 PolarHBondContact O-N 3.27Å; M84-S87 PolarHBondContact O-OG 3.35Å; S87-S89 PolarHBondContact O-N 2.93Å; S87-Y90 PolarHBondContact O-N 3.4Å; S87-L91 VanDerWaalsContact O-CB 3.3Å; S87-L91 WeakPolarHBondContact O-CB 3.37Å; S87-L91 WeakPolarHBondContact O-CG 3.28Å; S87-L91 PolarHBondContact O-N 3.31Å |
| 88 | E | 86.6 | Confident | 79.4 | Confident | 162 Ų | 162 | 113.5 Ų | 113.5 | 76% | 0.757 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65 | -38.5 | 176.1 | -63.8 | -169.1 | 163.8 | 0 | 0 | 112.6 | D86 A92 | D86-E88 VanDerWaalsContact C-N 3.32Å; D86-E88 PolarHBondContact O-N 3.12Å; E88-A92 VanDerWaalsContact O-CB 3.3Å; E88-A92 WeakPolarHBondContact O-CB 3.37Å; E88-A92 PolarHBondContact O-N 2.86Å |
| 89 | S | 87.9 | Confident | 80.8 | Confident | 84 Ų | 84 | 114.8 Ų | 114.8 | 59% | 0.587 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.5 | -40.6 | 178.5 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | D86 S87 S93 | D86-S89 WeakPolarHBondContact O-CB 3.31Å; D86-S89 PolarHBondContact O-N 3.31Å; S87-S89 PolarHBondContact O-N 2.93Å; S89-S93 WeakPolarHBondContact O-CB 3.5Å; S89-S93 PolarHBondContact O-N 3.27Å |
| 90 | Y | 90.8 | Very high | 81.8 | Confident | 143 Ų | 143 | 118 Ų | 118 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.4 | -45.1 | 175.2 | -177.9 | -100.2 | 0 | 0 | 0 | 111.4 | D86 S87 S93 L94 | D86-Y90 PolarHBondContact O-N 3.45Å; S87-Y90 PolarHBondContact O-N 3.4Å; Y90-S93 WeakPolarHBondContact O-CB 3.4Å; Y90-S93 PolarHBondContact O-N 3.21Å; Y90-L94 HydrophobicContact CE1-CD1 4.5Å; Y90-L94 WeakPolarHBondContact O-CB 3.3Å; Y90-L94 PolarHBondContact O-N 2.95Å |
| 91 | L | 92.1 | Very high | 82.7 | Confident | 88 Ų | 88 | 115.5 Ų | 115.5 | 46% | 0.461 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.6 | -48.3 | 174.7 | -74.9 | 169 | 0 | 0 | 0 | 111 | S87 S93 L94 E95 | S87-L91 VanDerWaalsContact O-CB 3.3Å; S87-L91 WeakPolarHBondContact O-CB 3.37Å; S87-L91 WeakPolarHBondContact O-CG 3.28Å; S87-L91 PolarHBondContact O-N 3.31Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.09Å; L91-L94 WeakPolarHBondContact O-CB 3.18Å; L91-L94 PolarHBondContact O-N 2.98Å; L91-L94 VanDerWaalsContact O-N 3.11Å; L91-E95 WeakPolarHBondContact O-CB 3.47Å; L91-E95 VanDerWaalsContact O-CG 3.29Å; L91-E95 WeakPolarHBondContact O-CG 3.41Å; L91-E95 PolarHBondContact O-N 3.16Å |
| 92 | A | 89.6 | Confident | 83.7 | Confident | 53 Ų | 53 | 111 Ų | 111 | 44% | 0.438 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E88 N96 | E88-A92 VanDerWaalsContact O-CB 3.3Å; E88-A92 WeakPolarHBondContact O-CB 3.37Å; E88-A92 PolarHBondContact O-N 2.86Å; A92-N96 VanDerWaalsContact O-CB 3.23Å; A92-N96 WeakPolarHBondContact O-CB 3.48Å; A92-N96 PolarHBondContact O-N 3.43Å |
| 93 | S | 90.2 | Very high | 83.6 | Confident | 63 Ų | 63 | 104.5 Ų | 104.5 | 44% | 0.441 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 174.1 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | S89 Y90 L91 N96 R97 | S89-S93 WeakPolarHBondContact O-CB 3.5Å; S89-S93 PolarHBondContact O-N 3.27Å; Y90-S93 WeakPolarHBondContact O-CB 3.4Å; Y90-S93 PolarHBondContact O-N 3.21Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.09Å; S93-N96 PolarHBondContact O-N 3.16Å; S93-R97 WeakPolarHBondContact O-CB 3.27Å; S93-R97 WeakPolarHBondContact O-CG 3.4Å; S93-R97 PolarHBondContact O-N 3.09Å |
| 94 | L | 92 | Very high | 83.4 | Confident | 65 Ų | 65 | 104.7 Ų | 104.7 | 34% | 0.34 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 178.2 | -155.6 | 77.3 | 0 | 0 | 0 | 111.2 | Y90 L91 N96 R97 L98 | Y90-L94 HydrophobicContact CE1-CD1 4.5Å; Y90-L94 WeakPolarHBondContact O-CB 3.3Å; Y90-L94 PolarHBondContact O-N 2.95Å; L91-L94 WeakPolarHBondContact O-CB 3.18Å; L91-L94 PolarHBondContact O-N 2.98Å; L91-L94 VanDerWaalsContact O-N 3.11Å; L94-N96 VanDerWaalsContact C-N 3.34Å; L94-N96 PolarHBondContact O-N 3.35Å; L94-R97 PolarHBondContact O-N 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 VanDerWaalsContact O-CG 3.28Å; L94-L98 WeakPolarHBondContact O-CG 3.25Å; L94-L98 PolarHBondContact O-N 3.07Å |
| 95 | E | 88.3 | Confident | 83.1 | Confident | 113 Ų | 113 | 101.7 Ų | 101.7 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 174.9 | -72.7 | 172.5 | -171.6 | 0 | 0 | 112.1 | L91 L98 R99 | L91-E95 WeakPolarHBondContact O-CB 3.47Å; L91-E95 VanDerWaalsContact O-CG 3.29Å; L91-E95 WeakPolarHBondContact O-CG 3.41Å; L91-E95 PolarHBondContact O-N 3.16Å; E95-L98 PolarHBondContact O-N 3.04Å; E95-R99 WeakPolarHBondContact O-CB 3.36Å; E95-R99 WeakPolarHBondContact O-CG 3.47Å; E95-R99 PolarHBondContact O-N 3.45Å |
| 96 | N | 86.9 | Confident | 82.5 | Confident | 66 Ų | 66 | 96.8 Ų | 96.8 | 35% | 0.353 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 174.4 | -170.6 | -4.5 | 0 | 0 | 0 | 111.3 | A92 S93 L94 L98 R99 K100 | A92-N96 VanDerWaalsContact O-CB 3.23Å; A92-N96 WeakPolarHBondContact O-CB 3.48Å; A92-N96 PolarHBondContact O-N 3.43Å; S93-N96 PolarHBondContact O-N 3.16Å; L94-N96 VanDerWaalsContact C-N 3.34Å; L94-N96 PolarHBondContact O-N 3.35Å; N96-L98 VanDerWaalsContact C-N 3.34Å; N96-L98 PolarHBondContact O-N 3.18Å; N96-R99 PolarHBondContact O-N 3.42Å; N96-K100 WeakPolarHBondContact O-CG 3.49Å; N96-K100 PolarHBondContact O-N 3.08Å; N96-K100 WeakPolarHBondContact OD1-CE 3.36Å |
| 97 | R | 90.4 | Very high | 81.8 | Confident | 155 Ų | 155 | 98.9 Ų | 98.9 | 59% | 0.585 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -42.4 | 173.8 | -73.5 | 173.2 | 71.3 | 179.9 | 2.1 | 111.6 | S93 L94 K100 I101 | S93-R97 WeakPolarHBondContact O-CB 3.27Å; S93-R97 WeakPolarHBondContact O-CG 3.4Å; S93-R97 PolarHBondContact O-N 3.09Å; L94-R97 PolarHBondContact O-N 3.28Å; R97-K100 PolarHBondContact O-N 2.73Å; R97-I101 VanDerWaalsContact O-CG1 3.28Å; R97-I101 WeakPolarHBondContact O-CG1 3.41Å; R97-I101 PolarHBondContact O-N 3.32Å |
| 98 | L | 87.1 | Confident | 81.2 | Confident | 86 Ų | 86 | 102 Ų | 102 | 45% | 0.45 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 176.8 | -77.9 | 171.3 | 0 | 0 | 0 | 111.8 | L94 E95 N96 K100 I101 K102 | L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 VanDerWaalsContact O-CG 3.28Å; L94-L98 WeakPolarHBondContact O-CG 3.25Å; L94-L98 PolarHBondContact O-N 3.07Å; E95-L98 PolarHBondContact O-N 3.04Å; N96-L98 VanDerWaalsContact C-N 3.34Å; N96-L98 PolarHBondContact O-N 3.18Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.3Å; L98-I101 PolarHBondContact O-N 3.22Å; L98-K102 WeakPolarHBondContact O-CB 3.5Å; L98-K102 PolarHBondContact O-N 3.08Å |
| 99 | R | 82 | Confident | 81.1 | Confident | 121 Ų | 121 | 97.6 Ų | 97.6 | 46% | 0.457 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 175.5 | -79 | -173.5 | -65.2 | 139 | -4.5 | 112.3 | E95 N96 G103 Q104 S105 | E95-R99 WeakPolarHBondContact O-CB 3.36Å; E95-R99 WeakPolarHBondContact O-CG 3.47Å; E95-R99 PolarHBondContact O-N 3.45Å; N96-R99 PolarHBondContact O-N 3.42Å; R99-G103 PolarHBondContact O-N 3.43Å; R99-Q104 HydrophobicContact CB-CB 4.39Å; R99-Q104 HydrophobicContact CG-CB 4.39Å; R99-Q104 PolarHBondContact O-N 3.44Å; R99-S105 PolarHBondContact O-N 2.99Å |
| 100 | K | 80.9 | Confident | 81.1 | Confident | 132 Ų | 132 | 97.7 Ų | 97.7 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -47.7 | 175.4 | -73.7 | 176.1 | 178 | -177.5 | 0 | 112.5 | N96 R97 L98 K102 G103 | N96-K100 WeakPolarHBondContact O-CG 3.49Å; N96-K100 PolarHBondContact O-N 3.08Å; N96-K100 WeakPolarHBondContact OD1-CE 3.36Å; R97-K100 PolarHBondContact O-N 2.73Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.3Å; K100-K102 VanDerWaalsContact C-N 3.33Å; K100-G103 PolarHBondContact O-N 3.43Å |
| 101 | I | 81.5 | Confident | 81.1 | Confident | 141 Ų | 141 | 98.6 Ų | 98.6 | 72% | 0.723 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.4 | -38.2 | 179.6 | -66.6 | 164.8 | 0 | 0 | 0 | 110.9 | R97 L98 G103 | R97-I101 VanDerWaalsContact O-CG1 3.28Å; R97-I101 WeakPolarHBondContact O-CG1 3.41Å; R97-I101 PolarHBondContact O-N 3.32Å; L98-I101 PolarHBondContact O-N 3.22Å; I101-G103 PolarHBondContact O-N 2.86Å |
| 102 | K | 80.4 | Confident | 81 | Confident | 134 Ų | 134 | 96.8 Ų | 96.8 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 1.9 | -179.1 | -151.1 | -178.9 | -47.3 | 174.6 | 0 | 113.4 | L98 K100 Q104 | L98-K102 WeakPolarHBondContact O-CB 3.5Å; L98-K102 PolarHBondContact O-N 3.08Å; K100-K102 VanDerWaalsContact C-N 3.33Å; K102-Q104 HydrophobicContact CB-CG 4.07Å; K102-Q104 HydrophobicContact CD-CG 4.19Å; K102-Q104 HydrophobicContact CG-CG 4.19Å; K102-Q104 PolarHBondContact O-N 3.44Å; K102-Q104 VanDerWaalsContact O-N 3.13Å |
| 103 | G | 70.6 | Confident | 81.2 | Confident | 39 Ų | 39 | 98.2 Ų | 98.2 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 3.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R99 K100 I101 S105 S106 | R99-G103 PolarHBondContact O-N 3.43Å; K100-G103 PolarHBondContact O-N 3.43Å; I101-G103 PolarHBondContact O-N 2.86Å; G103-S105 PolarHBondContact O-N 2.69Å; G103-S106 PolarHBondContact O-N 2.86Å |
| 104 | Q | 66.7 | Low | 81.5 | Confident | 107 Ų | 107 | 100.7 Ų | 100.7 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -6 | -177.7 | -65.2 | -176.6 | -47.5 | 0 | 0 | 113.5 | R99 K102 | R99-Q104 HydrophobicContact CB-CB 4.39Å; R99-Q104 HydrophobicContact CG-CB 4.39Å; R99-Q104 PolarHBondContact O-N 3.44Å; K102-Q104 HydrophobicContact CB-CG 4.07Å; K102-Q104 HydrophobicContact CD-CG 4.19Å; K102-Q104 HydrophobicContact CG-CG 4.19Å; K102-Q104 PolarHBondContact O-N 3.44Å; K102-Q104 VanDerWaalsContact O-N 3.13Å |
| 105 | S | 61.7 | Low | 81.6 | Confident | 72 Ų | 72 | 103 Ų | 103 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -8.6 | 175.6 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | R99 G103 | R99-S105 PolarHBondContact O-N 2.99Å; G103-S105 PolarHBondContact O-N 2.69Å |
| 106 | S | 60.5 | Low | 82 | Confident | 85 Ų | 85 | 101.2 Ų | 101.2 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -145.4 | 87.9 | 176.8 | 60.1 | 0 | 0 | 0 | 0 | 108.9 | G103 V108 | G103-S106 PolarHBondContact O-N 2.86Å; S106-V108 PolarHBondContact O-N 3.2Å |
| 107 | D | 67.2 | Low | 82.4 | Confident | 128 Ų | 128 | 103.3 Ų | 103.3 | 68% | 0.684 | 53% | 0.532 | S | S | * | . | trans | -57.7 | 132 | 166.9 | -63.8 | -51.7 | 0 | 0 | 0 | 108.4 | T109 | D107-T109 VanDerWaalsContact C-N 3.28Å; D107-T109 PolarHBondContact O-N 2.96Å; D107-T109 PolarHBondContact O-OG1 3.28Å | ||
| 108 | V | 72.1 | Confident | 82.7 | Confident | 106 Ų | 106 | 99.3 Ų | 99.3 | 64% | 0.642 | 53% | 0.527 | S | S | * | . | trans | -63.8 | 97.8 | 174.5 | -166 | 0 | 0 | 0 | 0 | 106.4 | S106 D112 I113 | S106-V108 PolarHBondContact O-N 3.2Å; V108-D112 HydrophobicContact CG1-CB 4.36Å; V108-I113 HydrophobicContact CB-CG1 4.39Å; V108-I113 HydrophobicContact CG1-CD1 4.2Å; V108-I113 HydrophobicContact CG1-CG1 3.46Å; V108-I113 VanDerWaalsContact CG1-CG1 3.46Å | ||
| 109 | T | 85.1 | Confident | 83.2 | Confident | 68 Ų | 68 | 101.3 Ų | 101.3 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | trans | -69.2 | 148.7 | -176.2 | -59.4 | 0 | 0 | 0 | 0 | 107.8 | D107 R111 D112 I113 | D107-T109 VanDerWaalsContact C-N 3.28Å; D107-T109 PolarHBondContact O-N 2.96Å; D107-T109 PolarHBondContact O-OG1 3.28Å; T109-R111 HydrophobicContact CG2-CB 4Å; T109-R111 PolarHBondContact O-N 2.92Å; T109-D112 WeakPolarHBondContact O-CA 3.45Å; T109-D112 PolarHBondContact O-N 2.88Å; T109-I113 PolarHBondContact O-N 3.26Å; T109-I113 VanDerWaalsContact O-N 3.08Å | ||
| 110 | S | 86.9 | Confident | 83.9 | Confident | 87 Ų | 87 | 98 Ų | 98 | 61% | 0.608 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -46.2 | -37.3 | 173.2 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | D112 I113 L114 | S110-D112 PolarHBondContact O-N 2.9Å; S110-I113 PolarHBondContact O-N 3.13Å; S110-L114 WeakPolarHBondContact O-CB 3.49Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 3.25Å |
| 111 | R | 90.9 | Very high | 84.6 | Confident | 161 Ų | 161 | 98 Ų | 98 | 61% | 0.608 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.1 | -40.8 | 172.8 | -168.8 | -175.7 | 69.2 | 148.1 | 0.5 | 114.5 | T109 R115 | T109-R111 HydrophobicContact CG2-CB 4Å; T109-R111 PolarHBondContact O-N 2.92Å; R111-R115 WeakPolarHBondContact O-CB 3.41Å; R111-R115 PolarHBondContact O-N 3.46Å |
| 112 | D | 90.4 | Very high | 85.2 | Confident | 51 Ų | 51 | 98.8 Ų | 98.8 | 27% | 0.273 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -77.1 | -35.4 | -178.6 | -60.1 | -31.6 | 0 | 0 | 0 | 111 | V108 T109 S110 R115 S116 | V108-D112 HydrophobicContact CG1-CB 4.36Å; T109-D112 WeakPolarHBondContact O-CA 3.45Å; T109-D112 PolarHBondContact O-N 2.88Å; S110-D112 PolarHBondContact O-N 2.9Å; D112-R115 PolarHBondContact O-N 3Å; D112-R115 IonicContact OD1-CZ 3.91Å; D112-R115 IonicContact OD1-NH1 3.83Å; D112-R115 PolarHBondContact OD1-NH1 3.31Å; D112-R115 IonicContact OD1-NH2 3.75Å; D112-R115 PolarHBondContact OD1-NH2 2.69Å; D112-S116 WeakPolarHBondContact O-CB 3.36Å; D112-S116 PolarHBondContact O-N 3.19Å |
| 113 | I | 94.1 | Very high | 85.9 | Confident | 82 Ų | 82 | 97.2 Ų | 97.2 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -51.4 | 169.3 | -56.4 | 178.6 | 0 | 0 | 0 | 109.8 | V108 T109 S110 R115 S116 L117 | V108-I113 HydrophobicContact CB-CG1 4.39Å; V108-I113 HydrophobicContact CG1-CD1 4.2Å; V108-I113 HydrophobicContact CG1-CG1 3.46Å; V108-I113 VanDerWaalsContact CG1-CG1 3.46Å; T109-I113 PolarHBondContact O-N 3.26Å; T109-I113 VanDerWaalsContact O-N 3.08Å; S110-I113 PolarHBondContact O-N 3.13Å; I113-R115 VanDerWaalsContact C-N 3.28Å; I113-R115 PolarHBondContact O-N 3.28Å; I113-S116 PolarHBondContact O-N 3.33Å; I113-S116 VanDerWaalsContact O-N 3.15Å; I113-L117 HydrophobicContact CG2-CD1 3.88Å; I113-L117 HydrophobicContact CG2-CG 4.2Å; I113-L117 WeakPolarHBondContact O-CB 3.31Å; I113-L117 WeakPolarHBondContact O-CG 3.43Å; I113-L117 PolarHBondContact O-N 3.27Å |
| 114 | L | 95.1 | Very high | 86.8 | Confident | 115 Ų | 115 | 99.3 Ų | 99.3 | 60% | 0.602 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.6 | -39.5 | 178.8 | -72.6 | 170.4 | 0 | 0 | 0 | 111.8 | S110 S118 | S110-L114 WeakPolarHBondContact O-CB 3.49Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 3.25Å; L114-S118 VanDerWaalsContact O-CB 3.27Å; L114-S118 WeakPolarHBondContact O-CB 3.46Å; L114-S118 PolarHBondContact O-N 2.94Å; L114-S118 PolarHBondContact O-OG 2.99Å |
| 115 | R | 94.9 | Very high | 88 | Confident | 113 Ų | 113 | 101.4 Ų | 101.4 | 43% | 0.426 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 174.8 | -164.5 | -174.7 | -54.2 | 103.9 | 7.1 | 111.3 | R111 D112 I113 S118 Q119 | R111-R115 WeakPolarHBondContact O-CB 3.41Å; R111-R115 PolarHBondContact O-N 3.46Å; D112-R115 PolarHBondContact O-N 3Å; D112-R115 IonicContact OD1-CZ 3.91Å; D112-R115 IonicContact OD1-NH1 3.83Å; D112-R115 PolarHBondContact OD1-NH1 3.31Å; D112-R115 IonicContact OD1-NH2 3.75Å; D112-R115 PolarHBondContact OD1-NH2 2.69Å; I113-R115 VanDerWaalsContact C-N 3.28Å; I113-R115 PolarHBondContact O-N 3.28Å; R115-S118 WeakPolarHBondContact CA-OG 3.45Å; R115-S118 PolarHBondContact O-N 3.12Å; R115-S118 PolarHBondContact O-OG 3.09Å; R115-Q119 PolarHBondContact O-N 3.02Å |
| 116 | S | 96.2 | Very high | 89.4 | Confident | 77 Ų | 77 | 102.1 Ų | 102.1 | 54% | 0.538 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 177.9 | -177.7 | 0 | 0 | 0 | 0 | 112 | D112 I113 S118 Q119 A120 | D112-S116 WeakPolarHBondContact O-CB 3.36Å; D112-S116 PolarHBondContact O-N 3.19Å; I113-S116 PolarHBondContact O-N 3.33Å; I113-S116 VanDerWaalsContact O-N 3.15Å; S116-S118 PolarHBondContact O-N 3.42Å; S116-Q119 PolarHBondContact O-N 3.43Å; S116-A120 WeakPolarHBondContact O-CB 3.49Å; S116-A120 PolarHBondContact O-N 3.32Å |
| 117 | L | 96.6 | Very high | 90.7 | Very high | 110 Ų | 110 | 105.3 Ų | 105.3 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.6 | -41.3 | 176.2 | -69.7 | 177.4 | 0 | 0 | 0 | 112.1 | I113 Q119 A120 K121 | I113-L117 HydrophobicContact CG2-CD1 3.88Å; I113-L117 HydrophobicContact CG2-CG 4.2Å; I113-L117 WeakPolarHBondContact O-CB 3.31Å; I113-L117 WeakPolarHBondContact O-CG 3.43Å; I113-L117 PolarHBondContact O-N 3.27Å; L117-Q119 VanDerWaalsContact C-N 3.31Å; L117-Q119 PolarHBondContact O-N 2.99Å; L117-A120 PolarHBondContact O-N 3.06Å; L117-K121 VanDerWaalsContact O-CB 3.31Å; L117-K121 WeakPolarHBondContact O-CB 3.43Å; L117-K121 PolarHBondContact O-N 3.37Å |
| 118 | S | 96 | Very high | 91.4 | Very high | 70 Ų | 70 | 105.4 Ų | 105.4 | 49% | 0.49 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 177 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | L114 R115 S116 K122 | L114-S118 VanDerWaalsContact O-CB 3.27Å; L114-S118 WeakPolarHBondContact O-CB 3.46Å; L114-S118 PolarHBondContact O-N 2.94Å; L114-S118 PolarHBondContact O-OG 2.99Å; R115-S118 WeakPolarHBondContact CA-OG 3.45Å; R115-S118 PolarHBondContact O-N 3.12Å; R115-S118 PolarHBondContact O-OG 3.09Å; S116-S118 PolarHBondContact O-N 3.42Å; S118-K122 WeakPolarHBondContact O-CB 3.32Å; S118-K122 PolarHBondContact O-N 2.95Å |
| 119 | Q | 96.8 | Very high | 92 | Very high | 129 Ų | 129 | 105.6 Ų | 105.6 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.6 | -45.9 | 176.5 | -175.6 | 175.3 | -17.5 | 0 | 0 | 111.2 | R115 S116 L117 K121 K122 E123 | R115-Q119 PolarHBondContact O-N 3.02Å; S116-Q119 PolarHBondContact O-N 3.43Å; L117-Q119 VanDerWaalsContact C-N 3.31Å; L117-Q119 PolarHBondContact O-N 2.99Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.32Å; Q119-K122 PolarHBondContact O-N 2.87Å; Q119-K122 VanDerWaalsContact O-N 3.13Å; Q119-E123 WeakPolarHBondContact O-CB 3.29Å; Q119-E123 PolarHBondContact O-N 3.45Å |
| 120 | A | 96.3 | Very high | 91.7 | Very high | 52 Ų | 52 | 107.7 Ų | 107.7 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S116 L117 E123 C124 | S116-A120 WeakPolarHBondContact O-CB 3.49Å; S116-A120 PolarHBondContact O-N 3.32Å; L117-A120 PolarHBondContact O-N 3.06Å; A120-E123 PolarHBondContact O-N 3.48Å; A120-C124 WeakPolarHBondContact O-CB 3.26Å; A120-C124 PolarHBondContact O-N 2.84Å |
| 121 | K | 95.7 | Very high | 90.6 | Very high | 132 Ų | 132 | 107.9 Ų | 107.9 | 57% | 0.574 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57.3 | -56.3 | 170.3 | 175.6 | 178.2 | 171.6 | 166.8 | 0 | 109.8 | L117 Q119 E123 C124 W125 | L117-K121 VanDerWaalsContact O-CB 3.31Å; L117-K121 WeakPolarHBondContact O-CB 3.43Å; L117-K121 PolarHBondContact O-N 3.37Å; Q119-K121 VanDerWaalsContact C-N 3.31Å; Q119-K121 PolarHBondContact O-N 3.32Å; K121-E123 VanDerWaalsContact C-N 3.28Å; K121-E123 PolarHBondContact O-N 3Å; K121-C124 WeakPolarHBondContact O-CB 3.35Å; K121-C124 PolarHBondContact O-N 3.15Å; K121-C124 VanDerWaalsContact O-N 3.15Å; K121-W125 PolarHBondContact O-N 3.29Å |
| 122 | K | 95.8 | Very high | 89.2 | Confident | 157 Ų | 157 | 102.6 Ų | 102.6 | 68% | 0.683 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -55 | -45.6 | -177.9 | -173.6 | -178.5 | 175.6 | -175.5 | 0 | 111.5 | S118 Q119 W125 D126 | S118-K122 WeakPolarHBondContact O-CB 3.32Å; S118-K122 PolarHBondContact O-N 2.95Å; Q119-K122 PolarHBondContact O-N 2.87Å; Q119-K122 VanDerWaalsContact O-N 3.13Å; K122-W125 PolarHBondContact O-N 3.13Å; K122-D126 VanDerWaalsContact O-CB 3.26Å; K122-D126 WeakPolarHBondContact O-CB 3.47Å; K122-D126 PolarHBondContact O-N 3.47Å |
| 123 | E | 94.6 | Very high | 87.6 | Confident | 101 Ų | 101 | 107.6 Ų | 107.6 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 179.5 | -170.1 | -173.1 | 153.8 | 0 | 0 | 112.9 | Q119 A120 K121 D126 R127 | Q119-E123 WeakPolarHBondContact O-CB 3.29Å; Q119-E123 PolarHBondContact O-N 3.45Å; A120-E123 PolarHBondContact O-N 3.48Å; K121-E123 VanDerWaalsContact C-N 3.28Å; K121-E123 PolarHBondContact O-N 3Å; E123-D126 PolarHBondContact O-N 2.89Å; E123-R127 WeakPolarHBondContact O-CB 3.47Å; E123-R127 PolarHBondContact O-N 3.34Å; E123-R127 IonicContact OE1-NH1 3.03Å |
| 124 | C | 88.4 | Confident | 85.7 | Confident | 82 Ų | 82 | 108.2 Ų | 108.2 | 55% | 0.554 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.2 | -44.8 | 174.5 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | A120 K121 F128 | A120-C124 WeakPolarHBondContact O-CB 3.26Å; A120-C124 PolarHBondContact O-N 2.84Å; K121-C124 WeakPolarHBondContact O-CB 3.35Å; K121-C124 PolarHBondContact O-N 3.15Å; K121-C124 VanDerWaalsContact O-N 3.15Å; C124-F128 WeakPolarHBondContact O-CB 3.46Å; C124-F128 PolarHBondContact O-N 3.47Å |
| 125 | W | 91.9 | Very high | 83.8 | Confident | 152 Ų | 152 | 105.7 Ų | 105.7 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.4 | -37.6 | 175.9 | -78.3 | 92.3 | 0 | 0 | 0 | 112.3 | K121 K122 F128 L129 | K121-W125 PolarHBondContact O-N 3.29Å; K122-W125 PolarHBondContact O-N 3.13Å; W125-F128 PolarHBondContact O-N 3.04Å; W125-L129 PolarHBondContact O-N 2.98Å |
| 126 | D | 90.9 | Very high | 81.8 | Confident | 86 Ų | 86 | 106.6 Ų | 106.6 | 46% | 0.46 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 178.1 | -159.4 | 58.7 | 0 | 0 | 0 | 111.1 | K122 E123 L129 H130 | K122-D126 VanDerWaalsContact O-CB 3.26Å; K122-D126 WeakPolarHBondContact O-CB 3.47Å; K122-D126 PolarHBondContact O-N 3.47Å; E123-D126 PolarHBondContact O-N 2.89Å; D126-L129 PolarHBondContact O-N 3.08Å; D126-H130 WeakPolarHBondContact O-CB 3.48Å; D126-H130 PolarHBondContact O-CD2 3.5Å; D126-H130 PolarHBondContact O-N 3.09Å; D126-H130 VanDerWaalsContact O-N 3.09Å; D126-H130 IonicContact OD1-CD2 3.22Å; D126-H130 IonicContact OD1-NE2 3.91Å |
| 127 | R | 88.2 | Confident | 79.7 | Confident | 152 Ų | 152 | 110.1 Ų | 110.1 | 57% | 0.574 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.2 | -43.6 | 174 | -81.3 | 164.6 | 64.1 | 169.6 | -1.1 | 112.2 | E123 L129 H130 D131 | E123-R127 WeakPolarHBondContact O-CB 3.47Å; E123-R127 PolarHBondContact O-N 3.34Å; E123-R127 IonicContact OE1-NH1 3.03Å; R127-L129 VanDerWaalsContact C-N 3.34Å; R127-L129 PolarHBondContact O-N 3.03Å; R127-H130 PolarHBondContact O-N 3.13Å; R127-D131 VanDerWaalsContact O-CB 3.28Å; R127-D131 WeakPolarHBondContact O-CB 3.49Å; R127-D131 PolarHBondContact O-N 3.06Å |
| 128 | F | 82.4 | Confident | 77.7 | Confident | 131 Ų | 131 | 113.2 Ų | 113.2 | 58% | 0.575 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.2 | -44 | 177.6 | 176.4 | -100.8 | 0 | 0 | 0 | 112.3 | C124 W125 H130 A132 | C124-F128 WeakPolarHBondContact O-CB 3.46Å; C124-F128 PolarHBondContact O-N 3.47Å; W125-F128 PolarHBondContact O-N 3.04Å; F128-H130 VanDerWaalsContact C-N 3.33Å; F128-H130 PolarHBondContact O-N 3.37Å; F128-A132 WeakPolarHBondContact O-CB 3.48Å; F128-A132 PolarHBondContact O-N 3.39Å |
| 129 | L | 84.1 | Confident | 75.9 | Confident | 110 Ų | 110 | 116 Ų | 116 | 58% | 0.576 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.9 | -36.2 | 179.6 | -130.4 | 81.1 | 0 | 0 | 0 | 112.5 | W125 D126 R127 | W125-L129 PolarHBondContact O-N 2.98Å; D126-L129 PolarHBondContact O-N 3.08Å; R127-L129 VanDerWaalsContact C-N 3.34Å; R127-L129 PolarHBondContact O-N 3.03Å |
| 130 | H | 79.6 | Confident | 74.1 | Confident | 112 Ų | 112 | 114 Ų | 114 | 52% | 0.519 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -80.1 | -38.8 | -179.8 | -72.8 | -51.3 | 0 | 0 | 0 | 112.9 | D126 R127 F128 Q133 | D126-H130 WeakPolarHBondContact O-CB 3.48Å; D126-H130 PolarHBondContact O-CD2 3.5Å; D126-H130 PolarHBondContact O-N 3.09Å; D126-H130 VanDerWaalsContact O-N 3.09Å; D126-H130 IonicContact OD1-CD2 3.22Å; D126-H130 IonicContact OD1-NE2 3.91Å; R127-H130 PolarHBondContact O-N 3.13Å; F128-H130 VanDerWaalsContact C-N 3.33Å; F128-H130 PolarHBondContact O-N 3.37Å; H130-Q133 PolarHBondContact O-N 3.48Å |
| 131 | D | 64.3 | Low | 72.2 | Confident | 90 Ų | 90 | 119.5 Ų | 119.5 | 48% | 0.481 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.6 | -30.5 | 174.9 | -83.8 | -15.6 | 0 | 0 | 0 | 112.1 | R127 Q133 T134 S135 | R127-D131 VanDerWaalsContact O-CB 3.28Å; R127-D131 WeakPolarHBondContact O-CB 3.49Å; R127-D131 PolarHBondContact O-N 3.06Å; D131-Q133 PolarHBondContact O-N 2.97Å; D131-T134 WeakPolarHBondContact CA-OG1 3.22Å; D131-T134 PolarHBondContact O-N 3.48Å; D131-T134 VanDerWaalsContact O-N 3.09Å; D131-T134 PolarHBondContact O-OG1 2.97Å; D131-S135 VanDerWaalsContact O-CB 3.31Å; D131-S135 WeakPolarHBondContact O-CB 3.2Å; D131-S135 PolarHBondContact O-N 3.48Å; D131-S135 PolarHBondContact O-OG 3.45Å |
| 132 | A | 62 | Low | 70.5 | Confident | 51 Ų | 51 | 119.8 Ų | 119.8 | 42% | 0.421 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61 | -29.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | F128 | F128-A132 WeakPolarHBondContact O-CB 3.48Å; F128-A132 PolarHBondContact O-N 3.39Å |
| 133 | Q | 56.6 | Low | 69.3 | Low | 156 Ų | 156 | 119.7 Ų | 119.7 | 73% | 0.729 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -80.5 | -24.9 | 175 | -65.1 | -166.3 | 22.2 | 0 | 0 | 113.2 | H130 D131 | H130-Q133 PolarHBondContact O-N 3.48Å; D131-Q133 PolarHBondContact O-N 2.97Å |
| 134 | T | 53.9 | Low | 68.4 | Low | 94 Ų | 94 | 120 Ų | 120 | 58% | 0.577 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -85.5 | -19.8 | 174.5 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | D131 E136 | D131-T134 WeakPolarHBondContact CA-OG1 3.22Å; D131-T134 PolarHBondContact O-N 3.48Å; D131-T134 VanDerWaalsContact O-N 3.09Å; D131-T134 PolarHBondContact O-OG1 2.97Å; T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 PolarHBondContact O-N 3.27Å |
| 135 | S | 54.3 | Low | 68 | Low | 63 Ų | 63 | 122 Ų | 122 | 44% | 0.441 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -78.3 | -5.1 | 179.8 | -56.7 | 0 | 0 | 0 | 0 | 114.3 | D131 L137 F138 | D131-S135 VanDerWaalsContact O-CB 3.31Å; D131-S135 WeakPolarHBondContact O-CB 3.2Å; D131-S135 PolarHBondContact O-N 3.48Å; D131-S135 PolarHBondContact O-OG 3.45Å; S135-L137 PolarHBondContact O-N 2.79Å; S135-L137 VanDerWaalsContact O-N 3.11Å; S135-F138 PolarHBondContact O-N 2.76Å |
| 136 | E | 53.4 | Low | 67.3 | Low | 131 Ų | 131 | 118.1 Ų | 118.1 | 61% | 0.612 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -60.6 | -18.7 | 171.7 | -63.4 | -154.3 | 155.4 | 0 | 0 | 112.7 | T134 F138 Q139 | T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 PolarHBondContact O-N 3.27Å; E136-F138 PolarHBondContact O-N 3.41Å; E136-Q139 PolarHBondContact O-N 2.82Å |
| 137 | L | 53 | Low | 66.9 | Low | 151 Ų | 151 | 116.7 Ų | 116.7 | 79% | 0.791 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -67.9 | -15.6 | 172.8 | -160.3 | 72.9 | 0 | 0 | 0 | 113.3 | S135 | S135-L137 PolarHBondContact O-N 2.79Å; S135-L137 VanDerWaalsContact O-N 3.11Å |
| 138 | F | 53.3 | Low | 66.6 | Low | 176 Ų | 176 | 113.1 Ų | 113.1 | 77% | 0.772 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -121.8 | 28.8 | -179.6 | -65.9 | -80.3 | 0 | 0 | 0 | 112.5 | S135 E136 S140 | S135-F138 PolarHBondContact O-N 2.76Å; E136-F138 PolarHBondContact O-N 3.41Å; F138-S140 VanDerWaalsContact C-N 3.32Å; F138-S140 PolarHBondContact O-N 3.01Å |
| 139 | Q | 58.3 | Low | 66.5 | Low | 128 Ų | 128 | 111.4 Ų | 111.4 | 60% | 0.598 | 59% | 0.594 | S | S | * | * | trans | -64.1 | 91.7 | 173.9 | -85.6 | 176.1 | 8.7 | 0 | 0 | 111.5 | E136 D141 | E136-Q139 PolarHBondContact O-N 2.82Å; Q139-D141 PolarHBondContact O-N 3.21Å | ||
| 140 | S | 58.6 | Low | 66.5 | Low | 87 Ų | 87 | 112.1 Ų | 112.1 | 61% | 0.608 | 60% | 0.595 | S | S | * | * | 34.8 | 72 | 126.3 | 67.6 | 0 | 0 | 0 | 0 | 116.9 | F138 | F138-S140 VanDerWaalsContact C-N 3.32Å; F138-S140 PolarHBondContact O-N 3.01Å | |||
| 141 | D | 56.3 | Low | 66.7 | Low | 168 Ų | 168 | 112 Ų | 112 | 90% | 0.898 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -107.7 | -7.4 | 152.9 | -159.3 | 34.3 | 0 | 0 | 0 | 111.7 | Q139 | Q139-D141 PolarHBondContact O-N 3.21Š|
| 142 | D | 61.8 | Low | 67.6 | Low | 138 Ų | 138 | 112.5 Ų | 112.5 | 74% | 0.738 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -130 | 40.1 | -174.2 | -163.8 | 31.4 | 0 | 0 | 0 | 111.6 | ||
| 143 | M | 68.5 | Low | 68.7 | Low | 154 Ų | 154 | 113.6 Ų | 113.6 | 76% | 0.759 | 58% | 0.584 | S | S | * | * | trans | -97.7 | 113.1 | 165.4 | -79.9 | -75.6 | 104.4 | 0 | 0 | 107.5 | E145 | M143-E145 PolarHBondContact O-N 3.04Š| ||
| 144 | D | 77.4 | Confident | 70.1 | Confident | 108 Ų | 108 | 115.4 Ų | 115.4 | 58% | 0.578 | 58% | 0.584 | S | S | * | * | trans | -54.5 | 113.9 | 179.3 | -67.2 | -40.8 | 0 | 0 | 0 | 110.4 | S146 A147 L148 | D144-S146 PolarHBondContact O-N 3.4Å; D144-S146 VanDerWaalsContact O-N 3.08Å; D144-A147 HydrophobicContact CB-CB 4.26Å; D144-A147 WeakPolarHBondContact O-CB 3.28Å; D144-A147 PolarHBondContact O-N 3.28Å; D144-L148 PolarHBondContact O-N 3.5Å | ||
| 145 | E | 78.7 | Confident | 71.6 | Confident | 124 Ų | 124 | 115.7 Ų | 115.7 | 58% | 0.579 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -54.8 | -31.1 | 179.9 | -177.1 | 64.7 | -137.1 | 0 | 0 | 111.4 | M143 L148 E149 K152 | M143-E145 PolarHBondContact O-N 3.04Å; E145-L148 PolarHBondContact O-N 3.01Å; E145-E149 PolarHBondContact O-N 3.24Å; E145-K152 IonicContact OE1-NZ 2.94Å |
| 146 | S | 77.7 | Confident | 73.1 | Confident | 70 Ų | 70 | 116.4 Ų | 116.4 | 49% | 0.49 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.5 | -43 | 175.2 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | D144 L148 E149 H150 | D144-S146 PolarHBondContact O-N 3.4Å; D144-S146 VanDerWaalsContact O-N 3.08Å; S146-L148 VanDerWaalsContact C-N 3.3Å; S146-L148 PolarHBondContact O-N 2.98Å; S146-E149 PolarHBondContact O-N 2.64Å; S146-H150 PolarHBondContact O-CD2 3.09Å; S146-H150 PolarHBondContact O-N 2.87Å |
| 147 | A | 82 | Confident | 74.5 | Confident | 57 Ų | 57 | 114.6 Ų | 114.6 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.4 | -38.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | D144 H150 F151 | D144-A147 HydrophobicContact CB-CB 4.26Å; D144-A147 WeakPolarHBondContact O-CB 3.28Å; D144-A147 PolarHBondContact O-N 3.28Å; A147-H150 PolarHBondContact O-N 2.92Å; A147-F151 WeakPolarHBondContact O-CB 3.39Å; A147-F151 PolarHBondContact O-N 3.05Å |
| 148 | L | 82.2 | Confident | 75.7 | Confident | 76 Ų | 76 | 114 Ų | 114 | 40% | 0.398 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.3 | -37.4 | 176.2 | -173.3 | 63.4 | 0 | 0 | 0 | 111.9 | D144 E145 S146 F151 K152 | D144-L148 PolarHBondContact O-N 3.5Å; E145-L148 PolarHBondContact O-N 3.01Å; S146-L148 VanDerWaalsContact C-N 3.3Å; S146-L148 PolarHBondContact O-N 2.98Å; L148-F151 PolarHBondContact O-N 2.75Å; L148-K152 HydrophobicContact CG-CD 4.47Å; L148-K152 WeakPolarHBondContact O-CD 3.36Å; L148-K152 VanDerWaalsContact O-CG 3.25Å; L148-K152 WeakPolarHBondContact O-CG 3.23Å; L148-K152 PolarHBondContact O-N 3.42Å |
| 149 | E | 81.6 | Confident | 76.8 | Confident | 95 Ų | 95 | 112.7 Ų | 112.7 | 44% | 0.444 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.3 | -44.9 | 174.9 | -162.8 | -169.4 | 147.9 | 0 | 0 | 112.1 | E145 S146 F151 K152 R153 | E145-E149 PolarHBondContact O-N 3.24Å; S146-E149 PolarHBondContact O-N 2.64Å; E149-F151 VanDerWaalsContact C-N 3.33Å; E149-F151 PolarHBondContact O-N 3.23Å; E149-K152 WeakPolarHBondContact O-CB 3.48Å; E149-K152 PolarHBondContact O-N 2.83Å; E149-R153 PolarHBondContact O-N 3.29Å; E149-R153 IonicContact OE1-NH1 3.9Å; E149-R153 PolarHBondContact OE1-NH1 3.43Å |
| 150 | H | 83.8 | Confident | 77.9 | Confident | 126 Ų | 126 | 109 Ų | 109 | 58% | 0.583 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62 | -40.4 | 175.1 | -72.9 | -60.2 | 0 | 0 | 0 | 112.3 | S146 A147 K152 R153 W154 | S146-H150 PolarHBondContact O-CD2 3.09Å; S146-H150 PolarHBondContact O-N 2.87Å; A147-H150 PolarHBondContact O-N 2.92Å; H150-K152 PolarHBondContact O-N 2.99Å; H150-R153 WeakPolarHBondContact O-CB 3.41Å; H150-R153 PolarHBondContact O-N 2.97Å; H150-W154 PolarHBondContact O-N 3.28Å |
| 151 | F | 84 | Confident | 79.1 | Confident | 109 Ų | 109 | 108.9 Ų | 108.9 | 48% | 0.478 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -39.3 | 176 | -177.9 | -108.6 | 0 | 0 | 0 | 112.3 | A147 L148 E149 W154 L155 | A147-F151 WeakPolarHBondContact O-CB 3.39Å; A147-F151 PolarHBondContact O-N 3.05Å; L148-F151 PolarHBondContact O-N 2.75Å; E149-F151 VanDerWaalsContact C-N 3.33Å; E149-F151 PolarHBondContact O-N 3.23Å; F151-W154 HydrophobicContact CE2-CE3 4.31Å; F151-W154 PolarHBondContact O-N 3.06Å; F151-L155 HydrophobicContact CD1-CD1 3.87Å; F151-L155 HydrophobicContact CD1-CG 4.43Å; F151-L155 HydrophobicContact CE1-CD1 3.22Å; F151-L155 HydrophobicContact CE1-CG 3.99Å; F151-L155 HydrophobicContact CE2-CD1 4.3Å; F151-L155 HydrophobicContact CE2-CG 4.22Å; F151-L155 HydrophobicContact CZ-CD1 3.48Å; F151-L155 VanDerWaalsContact CZ-CD1 3.48Å; F151-L155 HydrophobicContact CZ-CD2 4.24Å; F151-L155 HydrophobicContact CZ-CG 3.86Å; F151-L155 PolarHBondContact O-N 3.26Å |
| 152 | K | 81.7 | Confident | 80.4 | Confident | 101 Ų | 101 | 105.5 Ų | 105.5 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 173.2 | -72.6 | 164 | -177.8 | 161.6 | 0 | 111.8 | E145 L148 E149 H150 W154 L155 I156 | E145-K152 IonicContact OE1-NZ 2.94Å; L148-K152 HydrophobicContact CG-CD 4.47Å; L148-K152 WeakPolarHBondContact O-CD 3.36Å; L148-K152 VanDerWaalsContact O-CG 3.25Å; L148-K152 WeakPolarHBondContact O-CG 3.23Å; L148-K152 PolarHBondContact O-N 3.42Å; E149-K152 WeakPolarHBondContact O-CB 3.48Å; E149-K152 PolarHBondContact O-N 2.83Å; H150-K152 PolarHBondContact O-N 2.99Å; K152-W154 VanDerWaalsContact C-N 3.27Å; K152-W154 PolarHBondContact O-N 3.49Å; K152-L155 PolarHBondContact O-N 3.16Å; K152-I156 PolarHBondContact O-N 3.5Å |
| 153 | R | 86.4 | Confident | 81.4 | Confident | 73 Ų | 73 | 100.2 Ų | 100.2 | 28% | 0.275 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.6 | -37.7 | 172.7 | -84.7 | 172.2 | 133.6 | 130.8 | -12.4 | 112.5 | E149 H150 P157 V160 E166 | E149-R153 PolarHBondContact O-N 3.29Å; E149-R153 IonicContact OE1-NH1 3.9Å; E149-R153 PolarHBondContact OE1-NH1 3.43Å; H150-R153 WeakPolarHBondContact O-CB 3.41Å; H150-R153 PolarHBondContact O-N 2.97Å; R153-P157 VanDerWaalsContact O-CA 3.22Å; R153-P157 WeakPolarHBondContact O-CA 3.31Å; R153-P157 WeakPolarHBondContact O-CG 3.36Å; R153-V160 HydrophobicContact CB-CG2 4.32Å; R153-V160 HydrophobicContact CG-CB 3.84Å; R153-V160 HydrophobicContact CG-CG1 3.56Å; R153-V160 HydrophobicContact CG-CG2 3.68Å; R153-E166 IonicContact NH2-OE1 3.73Å; R153-E166 IonicContact NH2-OE2 2.99Å; R153-E166 PolarHBondContact NH2-OE2 3.45Å |
| 154 | W | 85.9 | Confident | 82.1 | Confident | 195 Ų | 195 | 97 Ų | 97 | 74% | 0.739 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -75.5 | -44.3 | 179.8 | -171.5 | 68.1 | 0 | 0 | 0 | 113.3 | H150 F151 K152 I156 P157 | H150-W154 PolarHBondContact O-N 3.28Å; F151-W154 HydrophobicContact CE2-CE3 4.31Å; F151-W154 PolarHBondContact O-N 3.06Å; K152-W154 VanDerWaalsContact C-N 3.27Å; K152-W154 PolarHBondContact O-N 3.49Å; W154-I156 VanDerWaalsContact C-N 3.34Å; W154-I156 PolarHBondContact O-N 3.16Å; W154-P157 WeakPolarHBondContact O-CD 3.35Å |
| 155 | L | 85.4 | Confident | 82.4 | Confident | 100 Ų | 100 | 97.9 Ų | 97.9 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.3 | -35.6 | 179.8 | -79.1 | -179.8 | 0 | 0 | 0 | 112.7 | F151 K152 | F151-L155 HydrophobicContact CD1-CD1 3.87Å; F151-L155 HydrophobicContact CD1-CG 4.43Å; F151-L155 HydrophobicContact CE1-CD1 3.22Å; F151-L155 HydrophobicContact CE1-CG 3.99Å; F151-L155 HydrophobicContact CE2-CD1 4.3Å; F151-L155 HydrophobicContact CE2-CG 4.22Å; F151-L155 HydrophobicContact CZ-CD1 3.48Å; F151-L155 VanDerWaalsContact CZ-CD1 3.48Å; F151-L155 HydrophobicContact CZ-CD2 4.24Å; F151-L155 HydrophobicContact CZ-CG 3.86Å; F151-L155 PolarHBondContact O-N 3.26Å; K152-L155 PolarHBondContact O-N 3.16Å |
| 156 | I | 85.9 | Confident | 82.7 | Confident | 78 Ų | 78 | 95.9 Ų | 95.9 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | trans | -139.3 | 71.8 | -176.6 | -35.4 | 175.9 | 0 | 0 | 0 | 110.8 | K152 W154 E158 K159 | K152-I156 PolarHBondContact O-N 3.5Å; W154-I156 VanDerWaalsContact C-N 3.34Å; W154-I156 PolarHBondContact O-N 3.16Å; I156-E158 HydrophobicContact CG2-CG 3.76Å; I156-E158 PolarHBondContact O-N 3.38Å; I156-E158 VanDerWaalsContact O-N 3.13Å; I156-K159 HydrophobicContact CB-CB 4.24Å; I156-K159 HydrophobicContact CB-CG 4.26Å; I156-K159 HydrophobicContact CG2-CB 3.75Å; I156-K159 HydrophobicContact CG2-CG 3.29Å; I156-K159 PolarHBondContact O-N 2.96Å | ||
| 157 | P | 81.1 | Confident | 83.1 | Confident | 92 Ų | 92 | 96.7 Ų | 96.7 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -58.3 | -32.7 | -177.5 | -20.5 | 31.8 | 0 | 0 | 0 | 112.1 | R153 W154 K159 V160 | R153-P157 VanDerWaalsContact O-CA 3.22Å; R153-P157 WeakPolarHBondContact O-CA 3.31Å; R153-P157 WeakPolarHBondContact O-CG 3.36Å; W154-P157 WeakPolarHBondContact O-CD 3.35Å; P157-K159 VanDerWaalsContact C-N 3.31Å; P157-K159 PolarHBondContact O-N 3.16Å; P157-V160 PolarHBondContact O-N 3.18Å |
| 158 | E | 79 | Confident | 83.3 | Confident | 140 Ų | 140 | 99 Ų | 99 | 65% | 0.654 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -73.1 | -14.5 | -179.7 | 57.7 | 164.2 | -131.4 | 0 | 0 | 115.1 | I156 | I156-E158 HydrophobicContact CG2-CG 3.76Å; I156-E158 PolarHBondContact O-N 3.38Å; I156-E158 VanDerWaalsContact O-N 3.13Å |
| 159 | K | 77.4 | Confident | 83.3 | Confident | 147 Ų | 147 | 102.8 Ų | 102.8 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -102.8 | -5.9 | 178.8 | -62.1 | -60.8 | 177.2 | -118.2 | 0 | 112.8 | I156 P157 | I156-K159 HydrophobicContact CB-CB 4.24Å; I156-K159 HydrophobicContact CB-CG 4.26Å; I156-K159 HydrophobicContact CG2-CB 3.75Å; I156-K159 HydrophobicContact CG2-CG 3.29Å; I156-K159 PolarHBondContact O-N 2.96Å; P157-K159 VanDerWaalsContact C-N 3.31Å; P157-K159 PolarHBondContact O-N 3.16Å |
| 160 | V | 81.1 | Confident | 83.4 | Confident | 50 Ų | 50 | 104.3 Ų | 104.3 | 30% | 0.303 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -96.2 | 120.1 | 174.5 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | R153 P157 | R153-V160 HydrophobicContact CB-CG2 4.32Å; R153-V160 HydrophobicContact CG-CB 3.84Å; R153-V160 HydrophobicContact CG-CG1 3.56Å; R153-V160 HydrophobicContact CG-CG2 3.68Å; P157-V160 PolarHBondContact O-N 3.18Å |
| 161 | A | 84.3 | Confident | 83.5 | Confident | 85 Ų | 85 | 104.4 Ų | 104.4 | 70% | 0.702 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 138.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 162 | I | 81.7 | Confident | 83.3 | Confident | 97 Ų | 97 | 104.8 Ų | 104.8 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 136.2 | 172.7 | -58.9 | 171.6 | 0 | 0 | 0 | 107.9 | E166 L167 L170 | I162-E166 HydrophobicContact CG2-CB 3.54Å; I162-L167 HydrophobicContact CG2-CB 4.3Å; I162-L170 HydrophobicContact CD1-CD1 4.37Å; I162-L170 HydrophobicContact CG2-CD1 4.46Å |
| 163 | S | 82.8 | Confident | 83 | Confident | 27 Ų | 27 | 105.4 Ų | 105.4 | 19% | 0.189 | 54% | 0.537 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 158.5 | 177.4 | 87.2 | 0 | 0 | 0 | 0 | 111.3 | E165 E166 L167 | S163-E165 WeakPolarHBondContact CB-OE1 3.32Å; S163-E165 PolarHBondContact O-N 3.03Å; S163-E165 WeakPolarHBondContact OG-CG 3.39Å; S163-E165 PolarHBondContact OG-N 3.03Å; S163-E165 PolarHBondContact OG-OE1 3.28Å; S163-E166 WeakPolarHBondContact CB-OE2 3.46Å; S163-E166 PolarHBondContact N-OE2 3.47Å; S163-E166 PolarHBondContact O-N 2.62Å; S163-E166 WeakPolarHBondContact OG-CG 3.36Å; S163-E166 PolarHBondContact OG-N 2.99Å; S163-E166 VanDerWaalsContact OG-N 3.16Å; S163-E166 PolarHBondContact OG-OE2 2.97Å; S163-L167 WeakPolarHBondContact O-CB 3.36Å; S163-L167 PolarHBondContact O-N 3.43Å |
| 164 | A | 83.8 | Confident | 81.6 | Confident | 86 Ų | 86 | 108.4 Ų | 108.4 | 71% | 0.711 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.7 | -33.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | E168 | A164-E168 PolarHBondContact O-N 3.36Å; A164-E168 VanDerWaalsContact O-N 3.16Å |
| 165 | E | 83.9 | Confident | 80.2 | Confident | 128 Ų | 128 | 107.7 Ų | 107.7 | 60% | 0.598 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.4 | -42.6 | 175.9 | 75.1 | -103.4 | 147.3 | 0 | 0 | 112.2 | S163 L167 E168 Y169 | S163-E165 WeakPolarHBondContact CB-OE1 3.32Å; S163-E165 PolarHBondContact O-N 3.03Å; S163-E165 WeakPolarHBondContact OG-CG 3.39Å; S163-E165 PolarHBondContact OG-N 3.03Å; S163-E165 PolarHBondContact OG-OE1 3.28Å; E165-L167 VanDerWaalsContact C-N 3.27Å; E165-L167 PolarHBondContact O-N 3.04Å; E165-E168 WeakPolarHBondContact O-CB 3.32Å; E165-E168 PolarHBondContact O-N 3.27Å; E165-Y169 VanDerWaalsContact O-CD2 3.24Å; E165-Y169 WeakPolarHBondContact O-CD2 3.5Å; E165-Y169 PolarHBondContact O-N 3.11Å; E165-Y169 VanDerWaalsContact O-N 3.16Å |
| 166 | E | 85.7 | Confident | 78.4 | Confident | 82 Ų | 82 | 107.8 Ų | 107.8 | 38% | 0.383 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.1 | -38.7 | 176.6 | -70.8 | 175.8 | 114.2 | 0 | 0 | 111 | R153 I162 S163 E168 Y169 L170 | R153-E166 IonicContact NH2-OE1 3.73Å; R153-E166 IonicContact NH2-OE2 2.99Å; R153-E166 PolarHBondContact NH2-OE2 3.45Å; I162-E166 HydrophobicContact CG2-CB 3.54Å; S163-E166 WeakPolarHBondContact CB-OE2 3.46Å; S163-E166 PolarHBondContact N-OE2 3.47Å; S163-E166 PolarHBondContact O-N 2.62Å; S163-E166 WeakPolarHBondContact OG-CG 3.36Å; S163-E166 PolarHBondContact OG-N 2.99Å; S163-E166 VanDerWaalsContact OG-N 3.16Å; S163-E166 PolarHBondContact OG-OE2 2.97Å; E166-E168 PolarHBondContact O-N 2.94Å; E166-Y169 PolarHBondContact O-N 3.29Å; E166-L170 WeakPolarHBondContact O-CG 3.25Å; E166-L170 PolarHBondContact O-N 2.95Å |
| 167 | L | 86.2 | Confident | 76.5 | Confident | 86 Ų | 86 | 110.7 Ų | 110.7 | 45% | 0.45 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64 | -39.8 | 176.5 | -165.3 | 111.9 | 0 | 0 | 0 | 111.9 | I162 S163 E165 Y169 L170 L171 | I162-L167 HydrophobicContact CG2-CB 4.3Å; S163-L167 WeakPolarHBondContact O-CB 3.36Å; S163-L167 PolarHBondContact O-N 3.43Å; E165-L167 VanDerWaalsContact C-N 3.27Å; E165-L167 PolarHBondContact O-N 3.04Å; L167-Y169 VanDerWaalsContact C-N 3.33Å; L167-Y169 PolarHBondContact O-N 3.42Å; L167-L170 PolarHBondContact O-N 2.71Å; L167-L171 HydrophobicContact CD2-CD1 3.5Å; L167-L171 VanDerWaalsContact CD2-CD1 3.5Å; L167-L171 HydrophobicContact CD2-CG 4.5Å; L167-L171 HydrophobicContact CG-CD1 3.91Å; L167-L171 HydrophobicContact CG-CG 4.42Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.35Å; L167-L171 PolarHBondContact O-N 3.44Å |
| 168 | E | 85.1 | Confident | 74.3 | Confident | 106 Ų | 106 | 113.4 Ų | 113.4 | 50% | 0.495 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.6 | -42.7 | 174.8 | -166 | -167.7 | 143.4 | 0 | 0 | 111.1 | A164 E165 E166 L170 L171 R172 | A164-E168 PolarHBondContact O-N 3.36Å; A164-E168 VanDerWaalsContact O-N 3.16Å; E165-E168 WeakPolarHBondContact O-CB 3.32Å; E165-E168 PolarHBondContact O-N 3.27Å; E166-E168 PolarHBondContact O-N 2.94Å; E168-L170 VanDerWaalsContact C-N 3.33Å; E168-L170 PolarHBondContact O-N 3.35Å; E168-L171 PolarHBondContact O-N 3.32Å; E168-R172 VanDerWaalsContact O-CG 3.32Å; E168-R172 WeakPolarHBondContact O-CG 3.45Å; E168-R172 PolarHBondContact O-N 3.02Å; E168-R172 IonicContact OE1-CZ 3.44Å; E168-R172 IonicContact OE1-NE 3.35Å; E168-R172 PolarHBondContact OE1-NE 3.27Å; E168-R172 IonicContact OE1-NH2 2.71Å; E168-R172 PolarHBondContact OE1-NH2 3.3Å |
| 169 | Y | 83.3 | Confident | 72.9 | Confident | 156 Ų | 156 | 112.5 Ų | 112.5 | 61% | 0.612 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.9 | -38 | 175.7 | -83.7 | -78.4 | 0 | 0 | 0 | 113.2 | E165 E166 L167 | E165-Y169 VanDerWaalsContact O-CD2 3.24Å; E165-Y169 WeakPolarHBondContact O-CD2 3.5Å; E165-Y169 PolarHBondContact O-N 3.11Å; E165-Y169 VanDerWaalsContact O-N 3.16Å; E166-Y169 PolarHBondContact O-N 3.29Å; L167-Y169 VanDerWaalsContact C-N 3.33Å; L167-Y169 PolarHBondContact O-N 3.42Å |
| 170 | L | 83.9 | Confident | 70.9 | Confident | 127 Ų | 127 | 111.2 Ų | 111.2 | 67% | 0.665 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.4 | -28.9 | 177.9 | -66.7 | 174.6 | 0 | 0 | 0 | 113.2 | I162 E166 L167 E168 | I162-L170 HydrophobicContact CD1-CD1 4.37Å; I162-L170 HydrophobicContact CG2-CD1 4.46Å; E166-L170 WeakPolarHBondContact O-CG 3.25Å; E166-L170 PolarHBondContact O-N 2.95Å; L167-L170 PolarHBondContact O-N 2.71Å; E168-L170 VanDerWaalsContact C-N 3.33Å; E168-L170 PolarHBondContact O-N 3.35Å |
| 171 | L | 84.1 | Confident | 69.2 | Low | 127 Ų | 127 | 112.7 Ų | 112.7 | 67% | 0.665 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -88.5 | -18 | -178.8 | -71.4 | 174.1 | 0 | 0 | 0 | 113.7 | L167 E168 P173 | L167-L171 HydrophobicContact CD2-CD1 3.5Å; L167-L171 VanDerWaalsContact CD2-CD1 3.5Å; L167-L171 HydrophobicContact CD2-CG 4.5Å; L167-L171 HydrophobicContact CG-CD1 3.91Å; L167-L171 HydrophobicContact CG-CG 4.42Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.35Å; L167-L171 PolarHBondContact O-N 3.44Å; E168-L171 PolarHBondContact O-N 3.32Å; L171-P173 WeakPolarHBondContact O-CD 3.24Å |
| 172 | R | 81.1 | Confident | 67 | Low | 118 Ų | 118 | 113.9 Ų | 113.9 | 45% | 0.445 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -57.3 | 122 | 171.5 | -80.5 | 171 | -171.4 | -178.4 | 4.1 | 107.8 | E168 T174 | E168-R172 VanDerWaalsContact O-CG 3.32Å; E168-R172 WeakPolarHBondContact O-CG 3.45Å; E168-R172 PolarHBondContact O-N 3.02Å; E168-R172 IonicContact OE1-CZ 3.44Å; E168-R172 IonicContact OE1-NE 3.35Å; E168-R172 PolarHBondContact OE1-NE 3.27Å; E168-R172 IonicContact OE1-NH2 2.71Å; E168-R172 PolarHBondContact OE1-NH2 3.3Å; R172-T174 PolarHBondContact O-N 3.46Å |
| 173 | P | 74.6 | Confident | 64.8 | Low | 113 Ų | 113 | 114.9 Ų | 114.9 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | trans | -51.6 | 120.8 | 173.7 | -24.5 | 33.3 | 0 | 0 | 0 | 107.7 | L171 Q175 | L171-P173 WeakPolarHBondContact O-CD 3.24Å; P173-Q175 PolarHBondContact O-N 2.95Å | ||
| 174 | T | 56.8 | Low | 62.5 | Low | 136 Ų | 136 | 124.5 Ų | 124.5 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | trans | -60.8 | 98.2 | 170.9 | 46.6 | 0 | 0 | 0 | 0 | 105.3 | R172 S176 | R172-T174 PolarHBondContact O-N 3.46Å; T174-S176 VanDerWaalsContact C-N 3.25Å; T174-S176 PolarHBondContact O-N 3.24Å | ||
| 175 | Q | 57.5 | Low | 60 | Low | 180 Ų | 180 | 126.1 Ų | 126.1 | 84% | 0.841 | 69% | 0.687 | S | S | * | * | trans | -56.3 | 106.2 | 164.1 | -52.7 | -165.6 | 92.4 | 0 | 0 | 103 | P173 T177 | P173-Q175 PolarHBondContact O-N 2.95Å; Q175-T177 PolarHBondContact O-N 3.08Å; Q175-T177 PolarHBondContact O-OG1 3.07Å | ||
| 176 | S | 47 | Very low | 58 | Low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 70% | 0.697 | S | S | * | * | trans | -55.4 | 105.3 | -179 | 53.2 | 0 | 0 | 0 | 0 | 106.4 | T174 E178 | T174-S176 VanDerWaalsContact C-N 3.25Å; T174-S176 PolarHBondContact O-N 3.24Å; S176-E178 PolarHBondContact O-N 2.8Å | ||
| 177 | T | 45.8 | Very low | 55.4 | Low | 139 Ų | 139 | 129.7 Ų | 129.7 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -73.1 | 77.3 | 173.4 | -31.3 | 0 | 0 | 0 | 0 | 107 | Q175 | Q175-T177 PolarHBondContact O-N 3.08Å; Q175-T177 PolarHBondContact O-OG1 3.07Å | ||
| 178 | E | 36 | Very low | 53.2 | Low | 149 Ų | 149 | 134.1 Ų | 134.1 | 70% | 0.696 | 73% | 0.733 | S | S | * | * | trans | -63.5 | 128 | 154.4 | -169 | 177.5 | 136.2 | 0 | 0 | 106.7 | S176 T180 | S176-E178 PolarHBondContact O-N 2.8Å; E178-T180 PolarHBondContact O-N 3.49Å | ||
| 179 | P | 48.8 | Very low | 50.9 | Low | 121 Ų | 121 | 137.1 Ų | 137.1 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | -81.4 | 94.5 | -174.6 | 32.4 | -31 | 0 | 0 | 0 | 108.8 | ||||
| 180 | T | 36.2 | Very low | 48.8 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | -121.4 | 111.7 | 160.1 | 20.2 | 0 | 0 | 0 | 0 | 109.6 | E178 | E178-T180 PolarHBondContact O-N 3.49Š| ||
| 181 | G | 43.7 | Very low | 46.3 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -69.2 | 151.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 182 | S | 38.2 | Very low | 44 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -166.8 | 94.4 | 148.8 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 183 | V | 35.9 | Very low | 41.6 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | 49.8 | 119.9 | 123.9 | -179 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 184 | R | 34.3 | Very low | 39.7 | Very low | 229 Ų | 229 | 138.4 Ų | 138.4 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 70.6 | 143.7 | 147.3 | -76.1 | 174.1 | 166.6 | 177.5 | -5.2 | 118.7 | ||||
| 185 | T | 31.1 | Very low | 38.6 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | cis | -168.4 | 165.2 | -2 | 16.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 186 | P | 42.4 | Very low | 37.5 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -79.2 | 142.4 | -170.6 | 33.3 | -33 | 0 | 0 | 0 | 112.5 | ||||
| 187 | H | 30.5 | Very low | 37.3 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -124.9 | 110.8 | 170.4 | -165.6 | -85.3 | 0 | 0 | 0 | 108.8 | ||||
| 188 | E | 41.1 | Very low | 37.2 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -65.5 | 138.4 | 165.7 | -64.2 | 164.9 | 161.6 | 0 | 0 | 108.8 | ||||
| 189 | E | 37.4 | Very low | 37.6 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -145.4 | 106.2 | 155.4 | -130 | 172.8 | -176.4 | 0 | 0 | 109.3 | ||||
| 190 | E | 37.7 | Very low | 37 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -56.1 | 143.1 | 158 | -71.8 | 179.2 | 121 | 0 | 0 | 109.9 | ||||
| 191 | T | 32.9 | Very low | 37.2 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -148.7 | 105.6 | 148.3 | -0.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 192 | A | 34.3 | Very low | 37.4 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -53.1 | 156.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 193 | G | 32.1 | Very low | 37.7 | Very low | 60 Ų | 60 | 145.7 Ų | 145.7 | 62% | 0.619 | 80% | 0.796 | S | S | * | * | cis | 154.5 | 148.5 | 11.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 194 | E | 34.5 | Very low | 38.6 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -176.4 | 98.7 | 156.2 | -112.2 | 146 | 79.1 | 0 | 0 | 107 | ||||
| 195 | Q | 33.4 | Very low | 40 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | 59.6 | 102.1 | 89.3 | -69.4 | -170.5 | -28 | 0 | 0 | 113 | |||||
| 196 | N | 33.6 | Very low | 41 | Very low | 175 Ų | 175 | 144 Ų | 144 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -138.4 | 118.8 | 135 | -101 | -38.5 | 0 | 0 | 0 | 108.5 | ||||
| 197 | E | 42.5 | Very low | 41.2 | Very low | 161 Ų | 161 | 151.2 Ų | 151.2 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | trans | -85.9 | -174.8 | 175.2 | -64.9 | 179.2 | 163.3 | 0 | 0 | 110.1 | ||||
| 198 | E | 44.9 | Very low | 41.7 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 77% | 0.771 | 83% | 0.828 | S | S | * | * | trans | 90.5 | 91.8 | 173.9 | -58 | -168.7 | 162.8 | 0 | 0 | 115.6 | ||||
| 199 | E | 44.4 | Very low | 41.7 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | 105.6 | 123.9 | 81.7 | -91.1 | -168.7 | 173.6 | 0 | 0 | 105.7 | |||||
| 200 | G | 36.7 | Very low | 42 | Very low | 75 Ų | 75 | 148.2 Ų | 148.2 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | cis | 143.8 | 118.7 | 21.8 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 201 | N | 39.7 | Very low | 42.2 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | trans | -159.3 | 111.5 | 146.5 | -158.6 | 52.8 | 0 | 0 | 0 | 110.7 | ||||
| 202 | S | 47.8 | Very low | 42.8 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 69% | 0.685 | 83% | 0.825 | S | S | * | * | trans | -47.9 | 142.2 | 164.9 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 203 | S | 44.3 | Very low | 43.4 | Very low | 121 Ų | 121 | 149.4 Ų | 149.4 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | -172.7 | 135.8 | 108.4 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 204 | S | 54.5 | Low | 44.2 | Very low | 112 Ų | 112 | 155.8 Ų | 155.8 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | trans | -63.8 | 169 | -170.8 | -76.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 205 | P | 63.7 | Low | 44.9 | Very low | 125 Ų | 125 | 153.8 Ų | 153.8 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | trans | -89.7 | 158.5 | -177 | 37 | -33.6 | 0 | 0 | 0 | 112.2 | ||||
| 206 | E | 52.6 | Low | 45.9 | Very low | 194 Ų | 194 | 153.8 Ų | 153.8 | 91% | 0.907 | 85% | 0.848 | S | S | * | * | trans | -132.5 | 131.8 | 165.2 | -135.7 | 174 | 126.5 | 0 | 0 | 111.2 | ||||
| 207 | K | 46.3 | Very low | 47 | Very low | 276 Ų | 276 | 151.8 Ų | 151.8 | 100% | 1.2 | 84% | 0.84 | S | S | * | * | trans | -5.2 | 0 | 171.5 | -80.3 | 175.2 | 171.4 | 176.6 | 0 | 120.7 |
Retrieved 207 of 207 residues in 34.3 ms
(Link to these results)