| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.5 | Very low | 59 | Low | 254 Ų | 254 | 150.7 Ų | 150.7 | 100% | 1.251 | 76% | 0.755 | S | S | * | * | 0 | 99.8 | 0 | -64.5 | -162.1 | 174 | 0 | 0 | 105.5 | |||||
| 2 | S | 44.7 | Very low | 60.2 | Low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -123.1 | 120.1 | 175.3 | 52 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 3 | D | 48.4 | Very low | 60.9 | Low | 149 Ų | 149 | 136.5 Ų | 136.5 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | trans | -45.1 | 141.5 | -173.7 | -92.6 | -46.1 | 0 | 0 | 0 | 113.8 | E5 | D3-E5 HydrophobicContact CB-CG 4.42Å; D3-E5 PolarHBondContact O-N 3.34Å | ||
| 4 | E | 57.9 | Low | 61.4 | Low | 190 Ų | 190 | 134.4 Ų | 134.4 | 89% | 0.888 | 69% | 0.685 | S | S | * | * | trans | -65.4 | 71.8 | 161.2 | -66.5 | 168.3 | 160 | 0 | 0 | 108.6 | E6 | E4-E6 PolarHBondContact O-N 3.12Š| ||
| 5 | E | 59.3 | Low | 62.1 | Low | 174 Ų | 174 | 131.5 Ų | 131.5 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | trans | -66 | 90 | 166.2 | -71.2 | -175.4 | -172.4 | 0 | 0 | 107.5 | D3 D7 | D3-E5 HydrophobicContact CB-CG 4.42Å; D3-E5 PolarHBondContact O-N 3.34Å; E5-D7 PolarHBondContact O-N 3.18Å | ||
| 6 | E | 57.1 | Low | 62.8 | Low | 141 Ų | 141 | 133.1 Ų | 133.1 | 66% | 0.659 | 68% | 0.682 | S | S | * | * | trans | -45.8 | 104.2 | 170.4 | -84.2 | -175.8 | 166.1 | 0 | 0 | 109.5 | E4 Y8 F13 | E4-E6 PolarHBondContact O-N 3.12Å; E6-Y8 PolarHBondContact O-N 3.19Å; E6-F13 HydrophobicContact CB-CE2 3.84Å; E6-F13 HydrophobicContact CB-CZ 4Å; E6-F13 VanDerWaalsContact OE2-CZ 3.31Å; E6-F13 WeakPolarHBondContact OE2-CZ 2.9Å | ||
| 7 | D | 72.9 | Confident | 63.4 | Low | 106 Ų | 106 | 131.8 Ų | 131.8 | 57% | 0.567 | 68% | 0.675 | S | S | * | * | trans | -49.3 | 108.5 | -176.4 | -179.3 | -4.9 | 0 | 0 | 0 | 109.7 | E5 M9 S10 | E5-D7 PolarHBondContact O-N 3.18Å; D7-M9 PolarHBondContact O-N 3.1Å; D7-M9 PolarHBondContact OD1-N 3.39Å; D7-M9 VanDerWaalsContact OD1-N 3.15Å; D7-S10 VanDerWaalsContact O-CB 3.27Å; D7-S10 WeakPolarHBondContact O-CB 3.41Å; D7-S10 PolarHBondContact O-N 3.42Å; D7-S10 PolarHBondContact O-OG 3.37Å | ||
| 8 | Y | 66.4 | Low | 63.4 | Low | 207 Ų | 207 | 133.4 Ų | 133.4 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -12.4 | -175.1 | 179.8 | -103.8 | 0 | 0 | 0 | 113 | E6 | E6-Y8 PolarHBondContact O-N 3.19Š|
| 9 | M | 63.8 | Low | 63.5 | Low | 157 Ų | 157 | 132.7 Ų | 132.7 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 10.9 | 175.6 | -54.6 | -164.8 | 96.6 | 0 | 0 | 114.1 | D7 | D7-M9 PolarHBondContact O-N 3.1Å; D7-M9 PolarHBondContact OD1-N 3.39Å; D7-M9 VanDerWaalsContact OD1-N 3.15Å |
| 10 | S | 69.8 | Low | 63.6 | Low | 36 Ų | 36 | 132.1 Ų | 132.1 | 25% | 0.252 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -72.8 | 149.3 | 176.9 | 64.9 | 0 | 0 | 0 | 0 | 112.7 | D7 A12 F13 L14 | D7-S10 VanDerWaalsContact O-CB 3.27Å; D7-S10 WeakPolarHBondContact O-CB 3.41Å; D7-S10 PolarHBondContact O-N 3.42Å; D7-S10 PolarHBondContact O-OG 3.37Å; S10-A12 PolarHBondContact O-N 3.4Å; S10-F13 PolarHBondContact O-N 2.94Å; S10-L14 PolarHBondContact O-N 3.15Å |
| 11 | D | 65.4 | Low | 63.5 | Low | 127 Ų | 127 | 132.9 Ų | 132.9 | 68% | 0.679 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -60.8 | -20 | -177.7 | -160.2 | 27.9 | 0 | 0 | 0 | 113.2 | F13 S15 | D11-F13 VanDerWaalsContact C-N 3.31Å; D11-F13 PolarHBondContact O-N 2.98Å; D11-S15 VanDerWaalsContact O-CB 3.31Å; D11-S15 WeakPolarHBondContact O-CB 3.43Å; D11-S15 PolarHBondContact O-N 3.48Å; D11-S15 PolarHBondContact O-OG 2.89Å |
| 12 | A | 73.5 | Confident | 64.4 | Low | 54 Ų | 54 | 127.5 Ų | 127.5 | 45% | 0.446 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -67.2 | -27.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S10 S15 K16 | S10-A12 PolarHBondContact O-N 3.4Å; A12-S15 PolarHBondContact O-OG 3.24Å; A12-K16 WeakPolarHBondContact O-CD 3.48Å; A12-K16 WeakPolarHBondContact O-CE 3.25Å; A12-K16 WeakPolarHBondContact O-CG 3.37Å |
| 13 | F | 68.9 | Low | 64.9 | Low | 63 Ų | 63 | 124.2 Ų | 124.2 | 28% | 0.276 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -85.9 | -43.4 | 172.6 | -78.4 | -91.2 | 0 | 0 | 0 | 111.6 | E6 S10 D11 S15 K16 I17 | E6-F13 HydrophobicContact CB-CE2 3.84Å; E6-F13 HydrophobicContact CB-CZ 4Å; E6-F13 VanDerWaalsContact OE2-CZ 3.31Å; E6-F13 WeakPolarHBondContact OE2-CZ 2.9Å; S10-F13 PolarHBondContact O-N 2.94Å; D11-F13 VanDerWaalsContact C-N 3.31Å; D11-F13 PolarHBondContact O-N 2.98Å; F13-S15 VanDerWaalsContact C-N 3.28Å; F13-S15 PolarHBondContact O-N 3.04Å; F13-K16 PolarHBondContact O-N 3.07Å; F13-K16 VanDerWaalsContact O-N 3.09Å; F13-I17 WeakPolarHBondContact O-CG1 3.34Å; F13-I17 PolarHBondContact O-N 3.37Å |
| 14 | L | 68.1 | Low | 65.5 | Low | 107 Ų | 107 | 123.8 Ų | 123.8 | 56% | 0.56 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -62 | -35.7 | -179.4 | -65.7 | 176.1 | 0 | 0 | 0 | 112.6 | S10 K16 I17 | S10-L14 PolarHBondContact O-N 3.15Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.49Å; L14-I17 PolarHBondContact O-N 3.01Å |
| 15 | S | 71.9 | Confident | 65.8 | Low | 90 Ų | 90 | 122 Ų | 122 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -23.2 | 176 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | D11 A12 F13 | D11-S15 VanDerWaalsContact O-CB 3.31Å; D11-S15 WeakPolarHBondContact O-CB 3.43Å; D11-S15 PolarHBondContact O-N 3.48Å; D11-S15 PolarHBondContact O-OG 2.89Å; A12-S15 PolarHBondContact O-OG 3.24Å; F13-S15 VanDerWaalsContact C-N 3.28Å; F13-S15 PolarHBondContact O-N 3.04Å |
| 16 | K | 73 | Confident | 66.1 | Low | 158 Ų | 158 | 119.4 Ų | 119.4 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -24.2 | 176.8 | -69.5 | 174.1 | -171.6 | 170.5 | 0 | 112.6 | A12 F13 L14 Q18 | A12-K16 WeakPolarHBondContact O-CD 3.48Å; A12-K16 WeakPolarHBondContact O-CE 3.25Å; A12-K16 WeakPolarHBondContact O-CG 3.37Å; F13-K16 PolarHBondContact O-N 3.07Å; F13-K16 VanDerWaalsContact O-N 3.09Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.49Å; K16-Q18 PolarHBondContact O-N 3.33Å |
| 17 | I | 73.1 | Confident | 67.2 | Low | 111 Ų | 111 | 117.4 Ų | 117.4 | 57% | 0.569 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -74.3 | 122.3 | 176.8 | -64.3 | 164.8 | 0 | 0 | 0 | 108 | F13 L14 D19 | F13-I17 WeakPolarHBondContact O-CG1 3.34Å; F13-I17 PolarHBondContact O-N 3.37Å; L14-I17 PolarHBondContact O-N 3.01Å; I17-D19 PolarHBondContact O-N 2.97Å |
| 18 | Q | 64.2 | Low | 67.6 | Low | 161 Ų | 161 | 121.5 Ų | 121.5 | 75% | 0.752 | 64% | 0.64 | S | S | * | * | trans | -60.2 | 127.7 | 167.8 | -75.5 | 179.5 | 0.7 | 0 | 0 | 108 | K16 V20 | K16-Q18 PolarHBondContact O-N 3.33Å; Q18-V20 HydrophobicContact CB-CG2 4.01Å; Q18-V20 WeakPolarHBondContact O-CG2 3.45Å; Q18-V20 PolarHBondContact O-N 3.07Å | ||
| 19 | D | 65.3 | Low | 68.4 | Low | 120 Ų | 120 | 121.6 Ų | 121.6 | 64% | 0.642 | 64% | 0.639 | S | S | * | * | trans | -69.7 | 82.3 | 178.8 | -158.5 | -0.3 | 0 | 0 | 0 | 109 | I17 K21 | I17-D19 PolarHBondContact O-N 2.97Å; D19-K21 VanDerWaalsContact CG-NZ 3.32Å; D19-K21 PolarHBondContact O-N 3.39Å; D19-K21 WeakPolarHBondContact OD1-CD 3.45Å; D19-K21 WeakPolarHBondContact OD1-CE 3.14Å; D19-K21 VanDerWaalsContact OD1-CG 3.26Å; D19-K21 WeakPolarHBondContact OD1-CG 3.46Å; D19-K21 IonicContact OD1-NZ 3.83Å; D19-K21 PolarHBondContact OD1-NZ 3.12Å; D19-K21 IonicContact OD2-NZ 2.61Å; D19-K21 PolarHBondContact OD2-NZ 3.43Å | ||
| 20 | V | 64.3 | Low | 69.4 | Low | 120 Ų | 120 | 117.3 Ų | 117.3 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | trans | -91.2 | 37.2 | 177.8 | -153.2 | 0 | 0 | 0 | 0 | 109.9 | Q18 P22 | Q18-V20 HydrophobicContact CB-CG2 4.01Å; Q18-V20 WeakPolarHBondContact O-CG2 3.45Å; Q18-V20 PolarHBondContact O-N 3.07Å; V20-P22 VanDerWaalsContact O-CD 3.3Å; V20-P22 WeakPolarHBondContact O-CD 3.5Å | ||
| 21 | K | 62.3 | Low | 70 | Confident | 148 Ų | 148 | 122.7 Ų | 122.7 | 64% | 0.643 | 64% | 0.64 | S | S | * | * | trans | -55.8 | 125.8 | 171.8 | -84.3 | 171.7 | -164.8 | 118.3 | 0 | 108.2 | D19 G23 | D19-K21 VanDerWaalsContact CG-NZ 3.32Å; D19-K21 PolarHBondContact O-N 3.39Å; D19-K21 WeakPolarHBondContact OD1-CD 3.45Å; D19-K21 WeakPolarHBondContact OD1-CE 3.14Å; D19-K21 VanDerWaalsContact OD1-CG 3.26Å; D19-K21 WeakPolarHBondContact OD1-CG 3.46Å; D19-K21 IonicContact OD1-NZ 3.83Å; D19-K21 PolarHBondContact OD1-NZ 3.12Å; D19-K21 IonicContact OD2-NZ 2.61Å; D19-K21 PolarHBondContact OD2-NZ 3.43Å; K21-G23 PolarHBondContact O-N 3.02Å | ||
| 22 | P | 61.2 | Low | 71.1 | Confident | 142 Ų | 142 | 121.6 Ų | 121.6 | 92% | 0.922 | 63% | 0.631 | S | S | * | * | trans | -70.8 | 65.2 | 165 | -1.7 | 18.2 | 0 | 0 | 0 | 107.9 | V20 | V20-P22 VanDerWaalsContact O-CD 3.3Å; V20-P22 WeakPolarHBondContact O-CD 3.5Å | ||
| 23 | G | 55.5 | Low | 71.8 | Confident | 47 Ų | 47 | 121.6 Ų | 121.6 | 49% | 0.485 | 63% | 0.631 | S | S | . | * | trans | -96.1 | 134.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109 | K21 N25 | K21-G23 PolarHBondContact O-N 3.02Å; G23-N25 PolarHBondContact O-N 3.18Å; G23-N25 VanDerWaalsContact O-N 3.15Å | ||
| 24 | V | 61.1 | Low | 72.7 | Confident | 140 Ų | 140 | 122.2 Ų | 122.2 | 85% | 0.848 | 64% | 0.636 | S | S | * | * | trans | -34.3 | 121.2 | 169.9 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | M26 | V24-M26 PolarHBondContact O-N 3.23Š| ||
| 25 | N | 64.9 | Low | 73.7 | Confident | 152 Ų | 152 | 124.8 Ų | 124.8 | 81% | 0.813 | 64% | 0.638 | S | S | * | * | trans | -46.3 | 110.9 | -179.1 | -64.2 | -14.3 | 0 | 0 | 0 | 109.2 | G23 V27 | G23-N25 PolarHBondContact O-N 3.18Å; G23-N25 VanDerWaalsContact O-N 3.15Å; N25-V27 PolarHBondContact O-N 3.26Å; N25-V27 VanDerWaalsContact O-N 3.1Å | ||
| 26 | M | 65 | Low | 74.7 | Confident | 120 Ų | 120 | 127.8 Ų | 127.8 | 59% | 0.591 | 64% | 0.64 | S | S | * | * | trans | -50.1 | 124.9 | 176.8 | -71.4 | -71.9 | -89.7 | 0 | 0 | 107.9 | V24 R28 V30 I34 | V24-M26 PolarHBondContact O-N 3.23Å; M26-R28 PolarHBondContact O-N 3.4Å; M26-V30 HydrophobicContact CE-CG1 3.61Å; M26-I34 HydrophobicContact CE-CD1 4.2Å | ||
| 27 | V | 81 | Confident | 75.5 | Confident | 99 Ų | 99 | 125 Ų | 125 | 60% | 0.6 | 63% | 0.629 | S | S | * | * | trans | -49.7 | 130.7 | -178.3 | 177.9 | 0 | 0 | 0 | 0 | 108 | N25 R29 V30 K31 | N25-V27 PolarHBondContact O-N 3.26Å; N25-V27 VanDerWaalsContact O-N 3.1Å; V27-R29 HydrophobicContact CG1-CB 4.47Å; V27-R29 PolarHBondContact O-N 2.96Å; V27-V30 HydrophobicContact CB-CG2 4.22Å; V27-V30 WeakPolarHBondContact O-CA 3.5Å; V27-V30 WeakPolarHBondContact O-CB 3.47Å; V27-V30 PolarHBondContact O-N 2.97Å; V27-K31 PolarHBondContact O-N 3.01Å | ||
| 28 | R | 79.9 | Confident | 76.4 | Confident | 193 Ų | 193 | 124.5 Ų | 124.5 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -47 | -37.4 | -171.2 | -175.1 | 175.8 | 172.6 | 166.4 | 0.7 | 113.4 | M26 V30 K31 E32 | M26-R28 PolarHBondContact O-N 3.4Å; R28-V30 PolarHBondContact O-N 3.43Å; R28-K31 PolarHBondContact O-N 3.34Å; R28-E32 HydrophobicContact CG-CG 4.46Å; R28-E32 WeakPolarHBondContact CG-OE1 3.35Å; R28-E32 IonicContact CZ-OE1 3.69Å; R28-E32 IonicContact NE-OE1 3.61Å; R28-E32 PolarHBondContact NE-OE1 2.86Å; R28-E32 IonicContact NH2-OE1 3.82Å; R28-E32 WeakPolarHBondContact O-CB 3.45Å; R28-E32 WeakPolarHBondContact O-CG 3.4Å; R28-E32 PolarHBondContact O-N 2.67Å |
| 29 | R | 84.4 | Confident | 77.8 | Confident | 209 Ų | 209 | 121.6 Ų | 121.6 | 79% | 0.789 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.2 | -41.3 | 175 | -65.2 | -176.3 | -178.1 | 178.5 | 1 | 113.7 | V27 A33 | V27-R29 HydrophobicContact CG1-CB 4.47Å; V27-R29 PolarHBondContact O-N 2.96Å; R29-A33 WeakPolarHBondContact O-CB 3.13Å; R29-A33 PolarHBondContact O-N 2.81Å |
| 30 | V | 84.7 | Confident | 79 | Confident | 67 Ų | 67 | 121.2 Ų | 121.2 | 41% | 0.406 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.3 | -44.4 | 178.3 | -178 | 0 | 0 | 0 | 0 | 110.2 | M26 V27 R28 E32 A33 I34 | M26-V30 HydrophobicContact CE-CG1 3.61Å; V27-V30 HydrophobicContact CB-CG2 4.22Å; V27-V30 WeakPolarHBondContact O-CA 3.5Å; V27-V30 WeakPolarHBondContact O-CB 3.47Å; V27-V30 PolarHBondContact O-N 2.97Å; R28-V30 PolarHBondContact O-N 3.43Å; V30-E32 PolarHBondContact O-N 3.39Å; V30-A33 PolarHBondContact O-N 2.89Å; V30-I34 HydrophobicContact CG1-CD1 4.12Å; V30-I34 WeakPolarHBondContact O-CG1 3.39Å; V30-I34 PolarHBondContact O-N 3.29Å |
| 31 | K | 83.3 | Confident | 80.3 | Confident | 149 Ų | 149 | 120.8 Ų | 120.8 | 65% | 0.648 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.4 | -42.6 | 176.5 | -172.2 | 174.9 | -176.2 | 172.6 | 0 | 112.2 | V27 R28 R35 | V27-K31 PolarHBondContact O-N 3.01Å; R28-K31 PolarHBondContact O-N 3.34Å; K31-R35 WeakPolarHBondContact O-CB 3.35Å; K31-R35 PolarHBondContact O-N 2.93Å; K31-R35 VanDerWaalsContact O-N 3.14Å |
| 32 | E | 87.2 | Confident | 81.7 | Confident | 104 Ų | 104 | 119.1 Ų | 119.1 | 49% | 0.486 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.3 | -36.4 | 176 | -74.3 | 173.4 | -175.4 | 0 | 0 | 112 | R28 V30 K36 | R28-E32 HydrophobicContact CG-CG 4.46Å; R28-E32 WeakPolarHBondContact CG-OE1 3.35Å; R28-E32 IonicContact CZ-OE1 3.69Å; R28-E32 IonicContact NE-OE1 3.61Å; R28-E32 PolarHBondContact NE-OE1 2.86Å; R28-E32 IonicContact NH2-OE1 3.82Å; R28-E32 WeakPolarHBondContact O-CB 3.45Å; R28-E32 WeakPolarHBondContact O-CG 3.4Å; R28-E32 PolarHBondContact O-N 2.67Å; V30-E32 PolarHBondContact O-N 3.39Å; E32-K36 VanDerWaalsContact O-CB 3.28Å; E32-K36 WeakPolarHBondContact O-CB 3.33Å; E32-K36 PolarHBondContact O-N 3.26Å |
| 33 | A | 89.5 | Confident | 83.1 | Confident | 54 Ų | 54 | 118.4 Ų | 118.4 | 45% | 0.446 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.7 | -48.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R29 V30 R35 K36 E37 | R29-A33 WeakPolarHBondContact O-CB 3.13Å; R29-A33 PolarHBondContact O-N 2.81Å; V30-A33 PolarHBondContact O-N 2.89Å; A33-R35 PolarHBondContact O-N 3.5Å; A33-K36 WeakPolarHBondContact O-CB 3.32Å; A33-K36 PolarHBondContact O-N 3.27Å; A33-E37 WeakPolarHBondContact O-CB 3.2Å; A33-E37 PolarHBondContact O-N 3.35Å |
| 34 | I | 87.7 | Confident | 84.8 | Confident | 75 Ų | 75 | 120.8 Ų | 120.8 | 39% | 0.385 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -57.8 | -49.8 | 176.9 | -66.1 | 165.4 | 0 | 0 | 0 | 110.2 | M26 V30 K36 E37 E38 | M26-I34 HydrophobicContact CE-CD1 4.2Å; V30-I34 HydrophobicContact CG1-CD1 4.12Å; V30-I34 WeakPolarHBondContact O-CG1 3.39Å; V30-I34 PolarHBondContact O-N 3.29Å; I34-K36 VanDerWaalsContact C-N 3.27Å; I34-K36 PolarHBondContact O-N 2.94Å; I34-E37 WeakPolarHBondContact O-CB 3.4Å; I34-E37 PolarHBondContact O-N 3.39Å; I34-E37 VanDerWaalsContact O-N 3.12Å; I34-E38 HydrophobicContact CG2-CG 4.47Å; I34-E38 WeakPolarHBondContact O-CG 3.24Å; I34-E38 PolarHBondContact O-N 2.88Å |
| 35 | R | 88.9 | Confident | 85.9 | Confident | 161 Ų | 161 | 120.1 Ų | 120.1 | 61% | 0.608 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.9 | -35.2 | 178.9 | -169.6 | -179.2 | -175.5 | -169.2 | 3.1 | 112.6 | K31 A33 K39 | K31-R35 WeakPolarHBondContact O-CB 3.35Å; K31-R35 PolarHBondContact O-N 2.93Å; K31-R35 VanDerWaalsContact O-N 3.14Å; A33-R35 PolarHBondContact O-N 3.5Å; R35-K39 WeakPolarHBondContact O-CB 3.34Å; R35-K39 WeakPolarHBondContact O-CG 3.5Å; R35-K39 PolarHBondContact O-N 3.44Å; R35-K39 VanDerWaalsContact O-N 3.11Å |
| 36 | K | 91.9 | Very high | 86.9 | Confident | 154 Ų | 154 | 120 Ų | 120 | 67% | 0.67 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.2 | -41.1 | 176.2 | -173.1 | 179 | 178.3 | -176.5 | 0 | 110.8 | E32 A33 I34 K39 Q40 | E32-K36 VanDerWaalsContact O-CB 3.28Å; E32-K36 WeakPolarHBondContact O-CB 3.33Å; E32-K36 PolarHBondContact O-N 3.26Å; A33-K36 WeakPolarHBondContact O-CB 3.32Å; A33-K36 PolarHBondContact O-N 3.27Å; I34-K36 VanDerWaalsContact C-N 3.27Å; I34-K36 PolarHBondContact O-N 2.94Å; K36-K39 PolarHBondContact O-N 3.03Å; K36-Q40 WeakPolarHBondContact O-CB 3.45Å; K36-Q40 PolarHBondContact O-N 3.47Å |
| 37 | E | 91.1 | Very high | 87.9 | Confident | 98 Ų | 98 | 120.4 Ų | 120.4 | 46% | 0.458 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.4 | -44.4 | 176.2 | -165.7 | -170.8 | 153.1 | 0 | 0 | 111.6 | A33 I34 Q40 K41 | A33-E37 WeakPolarHBondContact O-CB 3.2Å; A33-E37 PolarHBondContact O-N 3.35Å; I34-E37 WeakPolarHBondContact O-CB 3.4Å; I34-E37 PolarHBondContact O-N 3.39Å; I34-E37 VanDerWaalsContact O-N 3.12Å; E37-Q40 CarbonylContact O-C 3.53Å; E37-Q40 WeakPolarHBondContact O-CB 3.28Å; E37-Q40 PolarHBondContact O-N 2.95Å; E37-K41 WeakPolarHBondContact O-CG 3.2Å; E37-K41 PolarHBondContact O-N 3.29Å; E37-K41 WeakPolarHBondContact OE1-CE 3.25Å; E37-K41 IonicContact OE1-NZ 3.71Å; E37-K41 PolarHBondContact OE1-NZ 3.27Å |
| 38 | E | 91.6 | Very high | 88.3 | Confident | 102 Ų | 102 | 122.6 Ų | 122.6 | 48% | 0.477 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -57.7 | -51.8 | 173.8 | -73.1 | 172.1 | 165.2 | 0 | 0 | 111.5 | I34 Q40 K41 E42 | I34-E38 HydrophobicContact CG2-CG 4.47Å; I34-E38 WeakPolarHBondContact O-CG 3.24Å; I34-E38 PolarHBondContact O-N 2.88Å; E38-Q40 PolarHBondContact O-N 3.49Å; E38-K41 CarbonylContact O-C 3.5Å; E38-K41 WeakPolarHBondContact O-CB 3.41Å; E38-K41 PolarHBondContact O-N 3.17Å; E38-K41 VanDerWaalsContact O-N 3.09Å; E38-E42 WeakPolarHBondContact O-CG 3.49Å; E38-E42 PolarHBondContact O-N 3.17Å |
| 39 | K | 92.5 | Very high | 88.6 | Confident | 100 Ų | 100 | 122.2 Ų | 122.2 | 44% | 0.435 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.5 | -35 | 175.9 | -76 | -179.7 | 178.2 | -174 | 0 | 112.5 | R35 K36 K43 | R35-K39 WeakPolarHBondContact O-CB 3.34Å; R35-K39 WeakPolarHBondContact O-CG 3.5Å; R35-K39 PolarHBondContact O-N 3.44Å; R35-K39 VanDerWaalsContact O-N 3.11Å; K36-K39 PolarHBondContact O-N 3.03Å; K39-K43 WeakPolarHBondContact O-CB 3.43Å; K39-K43 VanDerWaalsContact O-CG 3.24Å; K39-K43 WeakPolarHBondContact O-CG 3.37Å; K39-K43 PolarHBondContact O-N 3.2Å |
| 40 | Q | 91.4 | Very high | 88.7 | Confident | 111 Ų | 111 | 116.6 Ų | 116.6 | 52% | 0.519 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.9 | -41.5 | 176.2 | -173.4 | 172.5 | -3.9 | 0 | 0 | 110.9 | K36 E37 E38 K43 N44 | K36-Q40 WeakPolarHBondContact O-CB 3.45Å; K36-Q40 PolarHBondContact O-N 3.47Å; E37-Q40 CarbonylContact O-C 3.53Å; E37-Q40 WeakPolarHBondContact O-CB 3.28Å; E37-Q40 PolarHBondContact O-N 2.95Å; E38-Q40 PolarHBondContact O-N 3.49Å; Q40-K43 PolarHBondContact O-N 3.11Å; Q40-N44 VanDerWaalsContact O-CB 3.28Å; Q40-N44 WeakPolarHBondContact O-CB 3.5Å; Q40-N44 PolarHBondContact O-N 2.84Å; Q40-N44 PolarHBondContact O-ND2 2.92Å; Q40-N44 PolarHBondContact O-OD1 3.41Å |
| 41 | K | 90.9 | Very high | 89 | Confident | 112 Ų | 112 | 116.7 Ų | 116.7 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 173 | -73.9 | 173.2 | -177.9 | 167.1 | 0 | 111.2 | E37 E38 K43 N44 I45 | E37-K41 WeakPolarHBondContact O-CG 3.2Å; E37-K41 PolarHBondContact O-N 3.29Å; E37-K41 WeakPolarHBondContact OE1-CE 3.25Å; E37-K41 IonicContact OE1-NZ 3.71Å; E37-K41 PolarHBondContact OE1-NZ 3.27Å; E38-K41 CarbonylContact O-C 3.5Å; E38-K41 WeakPolarHBondContact O-CB 3.41Å; E38-K41 PolarHBondContact O-N 3.17Å; E38-K41 VanDerWaalsContact O-N 3.09Å; K41-K43 PolarHBondContact O-N 3.26Å; K41-N44 WeakPolarHBondContact O-CB 3.24Å; K41-N44 PolarHBondContact O-N 3.43Å; K41-I45 WeakPolarHBondContact O-CD1 3.35Å; K41-I45 VanDerWaalsContact O-CG1 3.24Å; K41-I45 WeakPolarHBondContact O-CG1 3.28Å; K41-I45 PolarHBondContact O-N 2.87Å |
| 42 | E | 91.1 | Very high | 89.3 | Confident | 112 Ų | 112 | 118 Ų | 118 | 52% | 0.523 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.4 | -48.9 | 176.2 | -73.6 | 175.5 | 170.1 | 0 | 0 | 111.9 | E38 N44 I45 Q46 | E38-E42 WeakPolarHBondContact O-CG 3.49Å; E38-E42 PolarHBondContact O-N 3.17Å; E42-N44 VanDerWaalsContact C-N 3.31Å; E42-N44 PolarHBondContact O-N 3.2Å; E42-I45 PolarHBondContact O-N 3.45Å; E42-Q46 WeakPolarHBondContact O-CG 3.42Å; E42-Q46 PolarHBondContact O-N 3.45Å |
| 43 | K | 92.3 | Very high | 89.3 | Confident | 128 Ų | 128 | 119.4 Ų | 119.4 | 56% | 0.557 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.7 | -38.7 | 176.2 | -74.5 | 177.2 | 179.8 | -171.5 | 0 | 112.1 | K39 Q40 K41 I45 Q46 N47 | K39-K43 WeakPolarHBondContact O-CB 3.43Å; K39-K43 VanDerWaalsContact O-CG 3.24Å; K39-K43 WeakPolarHBondContact O-CG 3.37Å; K39-K43 PolarHBondContact O-N 3.2Å; Q40-K43 PolarHBondContact O-N 3.11Å; K41-K43 PolarHBondContact O-N 3.26Å; K43-I45 VanDerWaalsContact C-N 3.32Å; K43-Q46 PolarHBondContact O-N 3Å; K43-N47 VanDerWaalsContact O-CB 3.24Å; K43-N47 WeakPolarHBondContact O-CB 3.33Å; K43-N47 VanDerWaalsContact O-CG 3.32Å; K43-N47 PolarHBondContact O-N 3.29Å; K43-N47 PolarHBondContact O-ND2 2.82Å |
| 44 | N | 89.4 | Confident | 89.3 | Confident | 97 Ų | 97 | 120.1 Ų | 120.1 | 52% | 0.519 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64 | -39 | 175.4 | -73 | -7.5 | 0 | 0 | 0 | 111.2 | Q40 K41 E42 R48 | Q40-N44 VanDerWaalsContact O-CB 3.28Å; Q40-N44 WeakPolarHBondContact O-CB 3.5Å; Q40-N44 PolarHBondContact O-N 2.84Å; Q40-N44 PolarHBondContact O-ND2 2.92Å; Q40-N44 PolarHBondContact O-OD1 3.41Å; K41-N44 WeakPolarHBondContact O-CB 3.24Å; K41-N44 PolarHBondContact O-N 3.43Å; E42-N44 VanDerWaalsContact C-N 3.31Å; E42-N44 PolarHBondContact O-N 3.2Å; N44-R48 VanDerWaalsContact O-CB 3.24Å; N44-R48 WeakPolarHBondContact O-CB 3.43Å; N44-R48 PolarHBondContact O-N 2.89Å |
| 45 | I | 86.1 | Confident | 89.4 | Confident | 125 Ų | 125 | 121.3 Ų | 121.3 | 64% | 0.641 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.4 | -44.4 | 175.9 | -67.2 | 161.4 | 0 | 0 | 0 | 110.7 | K41 E42 K43 R48 | K41-I45 WeakPolarHBondContact O-CD1 3.35Å; K41-I45 VanDerWaalsContact O-CG1 3.24Å; K41-I45 WeakPolarHBondContact O-CG1 3.28Å; K41-I45 PolarHBondContact O-N 2.87Å; E42-I45 PolarHBondContact O-N 3.45Å; K43-I45 VanDerWaalsContact C-N 3.32Å; I45-R48 WeakPolarHBondContact O-CB 3.24Å; I45-R48 PolarHBondContact O-N 3.18Å |
| 46 | Q | 84.3 | Confident | 89.4 | Confident | 150 Ų | 150 | 118.6 Ų | 118.6 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.1 | -40.1 | 179.5 | -71.6 | 177.7 | 12.1 | 0 | 0 | 112.7 | E42 K43 R48 | E42-Q46 WeakPolarHBondContact O-CG 3.42Å; E42-Q46 PolarHBondContact O-N 3.45Å; K43-Q46 PolarHBondContact O-N 3Å; Q46-R48 VanDerWaalsContact C-N 3.31Å |
| 47 | N | 87.2 | Confident | 89.3 | Confident | 128 Ų | 128 | 116.7 Ų | 116.7 | 68% | 0.684 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -4.3 | 179.6 | -67 | -26.3 | 0 | 0 | 0 | 113.2 | K43 Q49 | K43-N47 VanDerWaalsContact O-CB 3.24Å; K43-N47 WeakPolarHBondContact O-CB 3.33Å; K43-N47 VanDerWaalsContact O-CG 3.32Å; K43-N47 PolarHBondContact O-N 3.29Å; K43-N47 PolarHBondContact O-ND2 2.82Å; N47-Q49 PolarHBondContact O-N 3.09Å; N47-Q49 VanDerWaalsContact O-N 3.09Å |
| 48 | R | 88.5 | Confident | 89.2 | Confident | 146 Ų | 146 | 116.6 Ų | 116.6 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | trans | -67.5 | 110.3 | 176.8 | 178.3 | 176 | 174.2 | -100 | -10.1 | 108.8 | N44 I45 Q46 K50 E54 | N44-R48 VanDerWaalsContact O-CB 3.24Å; N44-R48 WeakPolarHBondContact O-CB 3.43Å; N44-R48 PolarHBondContact O-N 2.89Å; I45-R48 WeakPolarHBondContact O-CB 3.24Å; I45-R48 PolarHBondContact O-N 3.18Å; Q46-R48 VanDerWaalsContact C-N 3.31Å; R48-K50 PolarHBondContact O-N 3.49Å; R48-E54 IonicContact CZ-OE1 3.38Å; R48-E54 IonicContact CZ-OE2 2.67Å; R48-E54 IonicContact NH1-OE1 3.52Å; R48-E54 PolarHBondContact NH1-OE1 2.95Å; R48-E54 IonicContact NH1-OE2 2.96Å; R48-E54 PolarHBondContact NH1-OE2 2.86Å; R48-E54 IonicContact NH2-OE1 2.87Å; R48-E54 IonicContact NH2-OE2 2.8Å; R48-E54 PolarHBondContact NH2-OE2 3.01Å | ||
| 49 | Q | 85.8 | Confident | 89.2 | Confident | 184 Ų | 184 | 115.1 Ų | 115.1 | 86% | 0.86 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 125.5 | 167 | -67.7 | -175.8 | -12.5 | 0 | 0 | 108.9 | N47 | N47-Q49 PolarHBondContact O-N 3.09Å; N47-Q49 VanDerWaalsContact O-N 3.09Å |
| 50 | K | 88.1 | Confident | 88.9 | Confident | 91 Ų | 91 | 113.9 Ų | 113.9 | 40% | 0.396 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 138.8 | 175.1 | -67.5 | 179.5 | 177.2 | 179.7 | 0 | 109.2 | R48 Q55 E58 | R48-K50 PolarHBondContact O-N 3.49Å; K50-Q55 HydrophobicContact CB-CG 3.83Å; K50-E58 IonicContact NZ-OE1 2.89Å; K50-E58 PolarHBondContact NZ-OE1 2.97Å; K50-E58 IonicContact NZ-OE2 2.93Å; K50-E58 PolarHBondContact NZ-OE2 2.92Å |
| 51 | S | 90.3 | Very high | 88.7 | Confident | 69 Ų | 69 | 112.6 Ų | 112.6 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 153 | 173.6 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | K53 E54 Q55 | S51-K53 PolarHBondContact O-N 3.39Å; S51-E54 WeakPolarHBondContact O-CB 3.5Å; S51-E54 PolarHBondContact O-N 3.01Å; S51-Q55 PolarHBondContact O-N 3.35Å |
| 52 | Y | 88.6 | Confident | 88.7 | Confident | 177 Ų | 177 | 109.7 Ų | 109.7 | 69% | 0.694 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -50.8 | -42.2 | 174.4 | -178.1 | -94.2 | 0 | 0 | 0 | 112.2 | E54 Q55 E56 | Y52-E54 VanDerWaalsContact C-N 3.3Å; Y52-E54 PolarHBondContact O-N 3.01Å; Y52-Q55 PolarHBondContact O-N 3.43Å; Y52-E56 WeakPolarHBondContact O-CB 3.43Å; Y52-E56 PolarHBondContact O-N 2.9Å |
| 53 | K | 88.3 | Confident | 88.4 | Confident | 134 Ų | 134 | 107.4 Ų | 107.4 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.8 | -34 | 178 | -170.5 | -180 | -179.2 | -178.6 | 0 | 113.1 | S51 K57 | S51-K53 PolarHBondContact O-N 3.39Å; K53-K57 WeakPolarHBondContact O-CB 3.24Å; K53-K57 PolarHBondContact O-N 3.38Å; K53-K57 VanDerWaalsContact O-N 3.14Å |
| 54 | E | 88.6 | Confident | 88 | Confident | 68 Ų | 68 | 105.4 Ų | 105.4 | 32% | 0.318 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74.5 | -42.7 | 179.5 | -168.8 | 173 | 176.7 | 0 | 0 | 110.4 | R48 S51 Y52 K57 E58 | R48-E54 IonicContact CZ-OE1 3.38Å; R48-E54 IonicContact CZ-OE2 2.67Å; R48-E54 IonicContact NH1-OE1 3.52Å; R48-E54 PolarHBondContact NH1-OE1 2.95Å; R48-E54 IonicContact NH1-OE2 2.96Å; R48-E54 PolarHBondContact NH1-OE2 2.86Å; R48-E54 IonicContact NH2-OE1 2.87Å; R48-E54 IonicContact NH2-OE2 2.8Å; R48-E54 PolarHBondContact NH2-OE2 3.01Å; S51-E54 WeakPolarHBondContact O-CB 3.5Å; S51-E54 PolarHBondContact O-N 3.01Å; Y52-E54 VanDerWaalsContact C-N 3.3Å; Y52-E54 PolarHBondContact O-N 3.01Å; E54-K57 PolarHBondContact O-N 2.88Å; E54-E58 WeakPolarHBondContact O-CB 3.47Å; E54-E58 PolarHBondContact O-N 3.2Å |
| 55 | Q | 90.5 | Very high | 87.8 | Confident | 101 Ų | 101 | 108.7 Ų | 108.7 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 173.6 | -66.4 | 177.1 | -7.1 | 0 | 0 | 112 | K50 S51 Y52 K57 E58 S59 | K50-Q55 HydrophobicContact CB-CG 3.83Å; S51-Q55 PolarHBondContact O-N 3.35Å; Y52-Q55 PolarHBondContact O-N 3.43Å; Q55-K57 VanDerWaalsContact C-N 3.34Å; Q55-K57 PolarHBondContact O-N 3.26Å; Q55-E58 PolarHBondContact O-N 3.47Å; Q55-S59 WeakPolarHBondContact O-CB 3.39Å; Q55-S59 PolarHBondContact O-N 3.36Å; Q55-S59 PolarHBondContact O-OG 3.14Å |
| 56 | E | 89.1 | Confident | 87.7 | Confident | 103 Ų | 103 | 106.4 Ų | 106.4 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 176.5 | -172.7 | -175 | 168.1 | 0 | 0 | 110.8 | Y52 S59 R60 | Y52-E56 WeakPolarHBondContact O-CB 3.43Å; Y52-E56 PolarHBondContact O-N 2.9Å; E56-S59 PolarHBondContact O-N 3.49Å; E56-S59 PolarHBondContact O-OG 2.93Å; E56-R60 WeakPolarHBondContact O-CB 3.42Å; E56-R60 PolarHBondContact O-N 3.38Å |
| 57 | K | 88.8 | Confident | 87.6 | Confident | 115 Ų | 115 | 104.6 Ų | 104.6 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 177.5 | -176.4 | 179.4 | 170.5 | -174.9 | 0 | 112 | K53 E54 Q55 R60 E61 | K53-K57 WeakPolarHBondContact O-CB 3.24Å; K53-K57 PolarHBondContact O-N 3.38Å; K53-K57 VanDerWaalsContact O-N 3.14Å; E54-K57 PolarHBondContact O-N 2.88Å; Q55-K57 VanDerWaalsContact C-N 3.34Å; Q55-K57 PolarHBondContact O-N 3.26Å; K57-R60 PolarHBondContact O-N 2.95Å; K57-E61 WeakPolarHBondContact CE-OE1 3.39Å; K57-E61 WeakPolarHBondContact CG-OE1 3.34Å; K57-E61 IonicContact NZ-OE1 3.52Å; K57-E61 WeakPolarHBondContact O-CG 3.19Å; K57-E61 PolarHBondContact O-N 3.36Å |
| 58 | E | 90.9 | Very high | 87.5 | Confident | 95 Ų | 95 | 103.8 Ų | 103.8 | 44% | 0.444 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 178.7 | -175.7 | 176.5 | -165.5 | 0 | 0 | 111.5 | K50 E54 Q55 R60 E61 A62 | K50-E58 IonicContact NZ-OE1 2.89Å; K50-E58 PolarHBondContact NZ-OE1 2.97Å; K50-E58 IonicContact NZ-OE2 2.93Å; K50-E58 PolarHBondContact NZ-OE2 2.92Å; E54-E58 WeakPolarHBondContact O-CB 3.47Å; E54-E58 PolarHBondContact O-N 3.2Å; Q55-E58 PolarHBondContact O-N 3.47Å; E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 2.98Å; E58-E61 PolarHBondContact O-N 3.37Å; E58-A62 WeakPolarHBondContact O-CB 3.42Å; E58-A62 PolarHBondContact O-N 3.32Å |
| 59 | S | 90.6 | Very high | 87.3 | Confident | 71 Ų | 71 | 100 Ų | 100 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 177.5 | 72 | 0 | 0 | 0 | 0 | 112.2 | Q55 E56 A63 | Q55-S59 WeakPolarHBondContact O-CB 3.39Å; Q55-S59 PolarHBondContact O-N 3.36Å; Q55-S59 PolarHBondContact O-OG 3.14Å; E56-S59 PolarHBondContact O-N 3.49Å; E56-S59 PolarHBondContact O-OG 2.93Å; S59-A63 WeakPolarHBondContact O-CB 3.36Å; S59-A63 PolarHBondContact O-N 2.75Å |
| 60 | R | 86.9 | Confident | 87.3 | Confident | 74 Ų | 74 | 96.7 Ų | 96.7 | 28% | 0.279 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 174.7 | -178 | 176.3 | 64.6 | 123.4 | 2.1 | 112.1 | E56 K57 E58 A63 L64 I104 | E56-R60 WeakPolarHBondContact O-CB 3.42Å; E56-R60 PolarHBondContact O-N 3.38Å; K57-R60 PolarHBondContact O-N 2.95Å; E58-R60 VanDerWaalsContact C-N 3.3Å; E58-R60 PolarHBondContact O-N 2.98Å; R60-A63 PolarHBondContact O-N 3.21Å; R60-L64 HydrophobicContact CG-CD1 4.15Å; R60-L64 WeakPolarHBondContact O-CB 3.34Å; R60-L64 WeakPolarHBondContact O-CG 3.34Å; R60-L64 PolarHBondContact O-N 2.96Å; R60-I104 VanDerWaalsContact CZ-CD1 3.48Å; R60-I104 VanDerWaalsContact NH1-CG1 3.25Å |
| 61 | E | 87.1 | Confident | 87.3 | Confident | 85 Ų | 85 | 101.1 Ų | 101.1 | 40% | 0.397 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 177.6 | -75 | 171.9 | -174.9 | 0 | 0 | 111.2 | K57 E58 A63 L64 Q65 | K57-E61 WeakPolarHBondContact CE-OE1 3.39Å; K57-E61 WeakPolarHBondContact CG-OE1 3.34Å; K57-E61 IonicContact NZ-OE1 3.52Å; K57-E61 WeakPolarHBondContact O-CG 3.19Å; K57-E61 PolarHBondContact O-N 3.36Å; E58-E61 PolarHBondContact O-N 3.37Å; E61-A63 PolarHBondContact O-N 3.27Å; E61-L64 PolarHBondContact O-N 3.24Å; E61-Q65 WeakPolarHBondContact O-CB 3.34Å; E61-Q65 VanDerWaalsContact O-CG 3.32Å; E61-Q65 WeakPolarHBondContact O-CG 3.47Å; E61-Q65 PolarHBondContact O-N 2.89Å |
| 62 | A | 90 | Very high | 87.4 | Confident | 51 Ų | 51 | 101.4 Ų | 101.4 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | E58 L64 Q65 S66 | E58-A62 WeakPolarHBondContact O-CB 3.42Å; E58-A62 PolarHBondContact O-N 3.32Å; A62-L64 PolarHBondContact O-N 2.97Å; A62-Q65 PolarHBondContact O-N 3.14Å; A62-S66 WeakPolarHBondContact O-CB 3.44Å; A62-S66 PolarHBondContact O-N 3.46Å; A62-S66 PolarHBondContact O-OG 3.01Å |
| 63 | A | 85.9 | Confident | 87.6 | Confident | 64 Ų | 64 | 101.8 Ų | 101.8 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.2 | -35.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | S59 R60 E61 S66 | S59-A63 WeakPolarHBondContact O-CB 3.36Å; S59-A63 PolarHBondContact O-N 2.75Å; R60-A63 PolarHBondContact O-N 3.21Å; E61-A63 PolarHBondContact O-N 3.27Å; A63-S66 PolarHBondContact O-OG 3.47Å |
| 64 | L | 83.3 | Confident | 87.7 | Confident | 85 Ų | 85 | 97.1 Ų | 97.1 | 45% | 0.445 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.8 | -32.5 | 174.6 | -76 | 167.5 | 0 | 0 | 0 | 112.4 | R60 E61 A62 | R60-L64 HydrophobicContact CG-CD1 4.15Å; R60-L64 WeakPolarHBondContact O-CB 3.34Å; R60-L64 WeakPolarHBondContact O-CG 3.34Å; R60-L64 PolarHBondContact O-N 2.96Å; E61-L64 PolarHBondContact O-N 3.24Å; A62-L64 PolarHBondContact O-N 2.97Å |
| 65 | Q | 84.1 | Confident | 87.8 | Confident | 167 Ų | 167 | 95.2 Ų | 95.2 | 78% | 0.78 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -78.9 | -32.1 | 177.1 | -74.4 | 176.7 | -13 | 0 | 0 | 112.7 | E61 A62 | E61-Q65 WeakPolarHBondContact O-CB 3.34Å; E61-Q65 VanDerWaalsContact O-CG 3.32Å; E61-Q65 WeakPolarHBondContact O-CG 3.47Å; E61-Q65 PolarHBondContact O-N 2.89Å; A62-Q65 PolarHBondContact O-N 3.14Å |
| 66 | S | 85.6 | Confident | 87.9 | Confident | 76 Ų | 76 | 92.1 Ų | 92.1 | 53% | 0.531 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -77.6 | 123.5 | -180 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | A62 A63 | A62-S66 WeakPolarHBondContact O-CB 3.44Å; A62-S66 PolarHBondContact O-N 3.46Å; A62-S66 PolarHBondContact O-OG 3.01Å; A63-S66 PolarHBondContact O-OG 3.47Å |
| 67 | S | 81.1 | Confident | 88 | Confident | 113 Ų | 113 | 92.1 Ų | 92.1 | 79% | 0.79 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 152.7 | 169.4 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | S69 | S67-S69 PolarHBondContact O-N 2.87Š|
| 68 | I | 84.6 | Confident | 88.1 | Confident | 110 Ų | 110 | 90.1 Ų | 90.1 | 56% | 0.564 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 129.3 | 177.4 | -61 | 174.8 | 0 | 0 | 0 | 109 | N72 F75 | I68-N72 HydrophobicContact CG2-CB 3.48Å; I68-N72 VanDerWaalsContact CG2-CB 3.48Å; I68-N72 VanDerWaalsContact CG2-ND2 3.34Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.34Å; I68-F75 HydrophobicContact CG2-CB 4.15Å |
| 69 | S | 86.1 | Confident | 88.1 | Confident | 67 Ų | 67 | 91 Ų | 91 | 47% | 0.469 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 155.1 | -179.2 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | S67 Q71 N72 | S67-S69 PolarHBondContact O-N 2.87Å; S69-Q71 PolarHBondContact O-N 2.88Å; S69-Q71 VanDerWaalsContact O-N 3.12Å; S69-N72 VanDerWaalsContact O-CB 3.25Å; S69-N72 WeakPolarHBondContact O-CB 3.4Å; S69-N72 PolarHBondContact O-N 3.12Å |
| 70 | N | 85.1 | Confident | 88.3 | Confident | 115 Ų | 115 | 96.1 Ų | 96.1 | 62% | 0.615 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.3 | 176.9 | -64.5 | -15.4 | 0 | 0 | 0 | 113.9 | N72 F75 | N70-N72 PolarHBondContact O-N 3.09Å; N70-F75 HydrophobicContact CB-CD1 4.32Å; N70-F75 HydrophobicContact CB-CE1 4.39Å; N70-F75 WeakPolarHBondContact OD1-CD1 3.42Å; N70-F75 WeakPolarHBondContact OD1-CE1 3.39Å; N70-F75 WeakPolarHBondContact OD1-CZ 3.45Å |
| 71 | Q | 88.9 | Confident | 88.5 | Confident | 183 Ų | 183 | 99.9 Ų | 99.9 | 86% | 0.855 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -18.3 | 175.9 | -66.3 | 177.6 | -4.9 | 0 | 0 | 112 | S69 K73 | S69-Q71 PolarHBondContact O-N 2.88Å; S69-Q71 VanDerWaalsContact O-N 3.12Å; Q71-K73 PolarHBondContact O-N 2.8Å |
| 72 | N | 91.4 | Very high | 88.6 | Confident | 75 Ų | 75 | 98.4 Ų | 98.4 | 40% | 0.401 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -67.9 | 124.9 | 176.3 | -170.2 | -32.7 | 0 | 0 | 0 | 109.9 | I68 S69 N70 G74 F75 A76 | I68-N72 HydrophobicContact CG2-CB 3.48Å; I68-N72 VanDerWaalsContact CG2-CB 3.48Å; I68-N72 VanDerWaalsContact CG2-ND2 3.34Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.34Å; S69-N72 VanDerWaalsContact O-CB 3.25Å; S69-N72 WeakPolarHBondContact O-CB 3.4Å; S69-N72 PolarHBondContact O-N 3.12Å; N70-N72 PolarHBondContact O-N 3.09Å; N72-G74 PolarHBondContact O-N 2.72Å; N72-G74 VanDerWaalsContact O-N 3.15Å; N72-G74 PolarHBondContact OD1-N 2.76Å; N72-F75 HydrophobicContact CB-CB 4.36Å; N72-F75 PolarHBondContact O-N 3.35Å; N72-A76 PolarHBondContact O-N 3.33Å |
| 73 | K | 93.3 | Very high | 88.6 | Confident | 186 Ų | 186 | 98.6 Ų | 98.6 | 81% | 0.809 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -53.8 | -35.4 | 178.6 | -64.4 | 179.3 | -179.5 | 177.5 | 0 | 112.6 | Q71 A76 L77 | Q71-K73 PolarHBondContact O-N 2.8Å; K73-A76 PolarHBondContact O-N 3.44Å; K73-L77 WeakPolarHBondContact O-CB 3.42Å; K73-L77 PolarHBondContact O-N 3.09Å |
| 74 | G | 90.3 | Very high | 88.7 | Confident | 36 Ų | 36 | 102.5 Ų | 102.5 | 37% | 0.371 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N72 L77 L78 | N72-G74 PolarHBondContact O-N 2.72Å; N72-G74 VanDerWaalsContact O-N 3.15Å; N72-G74 PolarHBondContact OD1-N 2.76Å; G74-L77 PolarHBondContact O-N 2.74Å; G74-L78 PolarHBondContact O-N 3.28Å |
| 75 | F | 90.4 | Very high | 88.8 | Confident | 27 Ų | 27 | 102.2 Ų | 102.2 | 12% | 0.118 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -65.4 | -43 | 175.7 | -175.2 | -86.1 | 0 | 0 | 0 | 111.3 | I68 N70 N72 L77 L78 Q79 Y83 A85 | I68-F75 HydrophobicContact CG2-CB 4.15Å; N70-F75 HydrophobicContact CB-CD1 4.32Å; N70-F75 HydrophobicContact CB-CE1 4.39Å; N70-F75 WeakPolarHBondContact OD1-CD1 3.42Å; N70-F75 WeakPolarHBondContact OD1-CE1 3.39Å; N70-F75 WeakPolarHBondContact OD1-CZ 3.45Å; N72-F75 HydrophobicContact CB-CB 4.36Å; N72-F75 PolarHBondContact O-N 3.35Å; F75-L77 VanDerWaalsContact C-N 3.29Å; F75-L77 PolarHBondContact O-N 3.49Å; F75-L78 WeakPolarHBondContact O-CB 3.38Å; F75-L78 PolarHBondContact O-N 3.2Å; F75-Q79 WeakPolarHBondContact O-CB 3.44Å; F75-Q79 PolarHBondContact O-N 3.49Å; F75-Y83 HydrophobicContact CE2-CD1 4.39Å; F75-Y83 AromaticContact CE2-CE1 3.98Å; F75-Y83 HydrophobicContact CE2-CE1 3.98Å; F75-A85 HydrophobicContact CE2-CB 4.46Å; F75-A85 HydrophobicContact CZ-CB 4.04Å |
| 76 | A | 91.9 | Very high | 88.8 | Confident | 36 Ų | 36 | 96.9 Ų | 96.9 | 30% | 0.298 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62 | -35.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N72 K73 K80 | N72-A76 PolarHBondContact O-N 3.33Å; K73-A76 PolarHBondContact O-N 3.44Å; A76-K80 WeakPolarHBondContact O-CG 3.48Å; A76-K80 PolarHBondContact O-N 3.4Å |
| 77 | L | 92.4 | Very high | 88.9 | Confident | 103 Ų | 103 | 97.5 Ų | 97.5 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.5 | -46.1 | 174.2 | -176.2 | 66 | 0 | 0 | 0 | 111.6 | K73 G74 F75 Q79 K80 M81 | K73-L77 WeakPolarHBondContact O-CB 3.42Å; K73-L77 PolarHBondContact O-N 3.09Å; G74-L77 PolarHBondContact O-N 2.74Å; F75-L77 VanDerWaalsContact C-N 3.29Å; F75-L77 PolarHBondContact O-N 3.49Å; L77-Q79 VanDerWaalsContact C-N 3.31Å; L77-Q79 PolarHBondContact O-N 3.44Å; L77-K80 WeakPolarHBondContact O-CB 3.41Å; L77-K80 PolarHBondContact O-N 2.81Å; L77-M81 HydrophobicContact CD1-CE 4.37Å; L77-M81 WeakPolarHBondContact O-CG 3.47Å; L77-M81 PolarHBondContact O-N 3.33Å; L77-M81 VanDerWaalsContact O-N 3.12Å |
| 78 | L | 90.5 | Very high | 89.3 | Confident | 74 Ų | 74 | 92.5 Ų | 92.5 | 39% | 0.387 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.7 | -47 | 174.5 | -96.3 | 148 | 0 | 0 | 0 | 111.2 | G74 F75 K80 M81 G82 Y83 L89 | G74-L78 PolarHBondContact O-N 3.28Å; F75-L78 WeakPolarHBondContact O-CB 3.38Å; F75-L78 PolarHBondContact O-N 3.2Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3.15Å; L78-M81 CarbonylContact O-C 3.55Å; L78-M81 WeakPolarHBondContact O-CA 3.38Å; L78-M81 WeakPolarHBondContact O-CB 3.47Å; L78-M81 PolarHBondContact O-N 2.76Å; L78-G82 PolarHBondContact O-N 3.39Å; L78-Y83 HydrophobicContact CB-CD1 4.1Å; L78-Y83 HydrophobicContact CB-CG 4.2Å; L78-Y83 HydrophobicContact CD2-CD1 4.38Å; L78-Y83 HydrophobicContact CD2-CD2 4.18Å; L78-Y83 HydrophobicContact CD2-CG 3.89Å; L78-Y83 WeakPolarHBondContact O-CB 3.31Å; L78-Y83 PolarHBondContact O-N 3.01Å; L78-L89 HydrophobicContact CD2-CD1 4.06Å |
| 79 | Q | 91.1 | Very high | 89.5 | Confident | 114 Ų | 114 | 92.5 Ų | 92.5 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 178.5 | -170.5 | 178.7 | -5 | 0 | 0 | 112.2 | F75 L77 M81 G82 Y83 | F75-Q79 WeakPolarHBondContact O-CB 3.44Å; F75-Q79 PolarHBondContact O-N 3.49Å; L77-Q79 VanDerWaalsContact C-N 3.31Å; L77-Q79 PolarHBondContact O-N 3.44Å; Q79-M81 VanDerWaalsContact C-N 3.26Å; Q79-M81 PolarHBondContact O-N 2.99Å; Q79-G82 PolarHBondContact O-N 3.06Å; Q79-G82 VanDerWaalsContact O-N 3.1Å; Q79-Y83 WeakPolarHBondContact CA-O 3.43Å |
| 80 | K | 94.1 | Very high | 89.6 | Confident | 177 Ų | 177 | 92.1 Ų | 92.1 | 77% | 0.77 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.4 | -28 | 174.4 | -74.6 | 177.6 | -179.8 | -176.1 | 0 | 113.3 | A76 L77 L78 G82 | A76-K80 WeakPolarHBondContact O-CG 3.48Å; A76-K80 PolarHBondContact O-N 3.4Å; L77-K80 WeakPolarHBondContact O-CB 3.41Å; L77-K80 PolarHBondContact O-N 2.81Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3.15Å; K80-G82 PolarHBondContact O-N 3.1Å |
| 81 | M | 91.4 | Very high | 89.7 | Confident | 153 Ų | 153 | 97 Ų | 97 | 75% | 0.754 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 7 | 174.7 | -63.4 | -63.3 | 178.8 | 0 | 0 | 113 | L77 L78 Q79 | L77-M81 HydrophobicContact CD1-CE 4.37Å; L77-M81 WeakPolarHBondContact O-CG 3.47Å; L77-M81 PolarHBondContact O-N 3.33Å; L77-M81 VanDerWaalsContact O-N 3.12Å; L78-M81 CarbonylContact O-C 3.55Å; L78-M81 WeakPolarHBondContact O-CA 3.38Å; L78-M81 WeakPolarHBondContact O-CB 3.47Å; L78-M81 PolarHBondContact O-N 2.76Å; Q79-M81 VanDerWaalsContact C-N 3.26Å; Q79-M81 PolarHBondContact O-N 2.99Å |
| 82 | G | 89.1 | Confident | 89.6 | Confident | 54 Ų | 54 | 96.5 Ų | 96.5 | 56% | 0.557 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | 7.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L78 Q79 K80 | L78-G82 PolarHBondContact O-N 3.39Å; Q79-G82 PolarHBondContact O-N 3.06Å; Q79-G82 VanDerWaalsContact O-N 3.1Å; K80-G82 PolarHBondContact O-N 3.1Å |
| 83 | Y | 89.8 | Confident | 89.3 | Confident | 55 Ų | 55 | 93.9 Ų | 93.9 | 22% | 0.216 | 52% | 0.516 | C | S | . | . | trans | -68.3 | 134.6 | 172.9 | -179.3 | -104.6 | 0 | 0 | 0 | 111.4 | F75 L78 Q79 Q87 L89 | F75-Y83 HydrophobicContact CE2-CD1 4.39Å; F75-Y83 AromaticContact CE2-CE1 3.98Å; F75-Y83 HydrophobicContact CE2-CE1 3.98Å; L78-Y83 HydrophobicContact CB-CD1 4.1Å; L78-Y83 HydrophobicContact CB-CG 4.2Å; L78-Y83 HydrophobicContact CD2-CD1 4.38Å; L78-Y83 HydrophobicContact CD2-CD2 4.18Å; L78-Y83 HydrophobicContact CD2-CG 3.89Å; L78-Y83 WeakPolarHBondContact O-CB 3.31Å; L78-Y83 PolarHBondContact O-N 3.01Å; Q79-Y83 WeakPolarHBondContact CA-O 3.43Å; Y83-Q87 WeakPolarHBondContact CE2-O 2.82Å; Y83-Q87 PolarHBondContact OH-O 2.69Å; Y83-L89 HydrophobicContact CD2-CD1 3.57Å; Y83-L89 HydrophobicContact CE2-CD1 3.97Å | ||
| 84 | K | 88 | Confident | 89.1 | Confident | 146 Ų | 146 | 89.4 Ų | 89.4 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | trans | -110.8 | 137 | 172.5 | -64.9 | 177.1 | -178.5 | 175.6 | 0 | 109.3 | G86 Q87 | K84-G86 PolarHBondContact O-N 2.89Å; K84-Q87 HydrophobicContact CB-CB 4.31Å; K84-Q87 WeakPolarHBondContact O-CB 3.48Å; K84-Q87 PolarHBondContact O-N 2.93Å | ||
| 85 | A | 86.4 | Confident | 89.1 | Confident | 79 Ų | 79 | 89.1 Ų | 89.1 | 65% | 0.653 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 126.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F75 Q87 | F75-A85 HydrophobicContact CE2-CB 4.46Å; F75-A85 HydrophobicContact CZ-CB 4.04Å; A85-Q87 VanDerWaalsContact C-N 3.35Å |
| 86 | G | 83.9 | Confident | 88.9 | Confident | 55 Ų | 55 | 96.4 Ų | 96.4 | 57% | 0.567 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -0.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K84 | K84-G86 PolarHBondContact O-N 2.89Š|
| 87 | Q | 87.8 | Confident | 88.7 | Confident | 89 Ų | 89 | 98.2 Ų | 98.2 | 42% | 0.416 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 142.4 | 172.9 | -165.2 | 176 | -4.1 | 0 | 0 | 110.8 | Y83 K84 A85 | Y83-Q87 WeakPolarHBondContact CE2-O 2.82Å; Y83-Q87 PolarHBondContact OH-O 2.69Å; K84-Q87 HydrophobicContact CB-CB 4.31Å; K84-Q87 WeakPolarHBondContact O-CB 3.48Å; K84-Q87 PolarHBondContact O-N 2.93Å; A85-Q87 VanDerWaalsContact C-N 3.35Å |
| 88 | G | 89.3 | Confident | 88.3 | Confident | 8 Ų | 8 | 98.9 Ų | 98.9 | 8% | 0.082 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 149.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G93 G95 | G88-G93 WeakPolarHBondContact CA-O 3.3Å; G88-G93 VanDerWaalsContact O-CA 3.25Å; G88-G93 WeakPolarHBondContact O-CA 3.31Å; G88-G95 WeakPolarHBondContact CA-O 3.33Å |
| 89 | L | 88.3 | Confident | 88 | Confident | 110 Ų | 110 | 99.8 Ų | 99.8 | 58% | 0.576 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -78.7 | 151.5 | 176.4 | -137.3 | 72.7 | 0 | 0 | 0 | 111.1 | L78 Y83 G95 | L78-L89 HydrophobicContact CD2-CD1 4.06Å; Y83-L89 HydrophobicContact CD2-CD1 3.57Å; Y83-L89 HydrophobicContact CE2-CD1 3.97Å; L89-G95 WeakPolarHBondContact O-CA 3.1Å; L89-G95 PolarHBondContact O-N 2.85Å |
| 90 | G | 88.6 | Confident | 87.9 | Confident | 59 Ų | 59 | 100.5 Ų | 100.5 | 61% | 0.608 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 120.6 | 170.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E92 G93 | G90-E92 VanDerWaalsContact C-N 3.25Å; G90-E92 PolarHBondContact O-N 2.94Å; G90-G93 PolarHBondContact O-N 3.15Å |
| 91 | K | 86.8 | Confident | 87.4 | Confident | 217 Ų | 217 | 96.9 Ų | 96.9 | 94% | 0.943 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -37.4 | -173.2 | -172.5 | -178.3 | 177.7 | -171.6 | 0 | 113.5 | ||
| 92 | E | 87.2 | Confident | 87 | Confident | 174 Ų | 174 | 95.3 Ų | 95.3 | 81% | 0.813 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 6.2 | 178.4 | -63.9 | 176.8 | -176.2 | 0 | 0 | 112.2 | G90 A94 | G90-E92 VanDerWaalsContact C-N 3.25Å; G90-E92 PolarHBondContact O-N 2.94Å; E92-A94 VanDerWaalsContact C-N 3.28Å; E92-A94 PolarHBondContact O-N 2.77Å |
| 93 | G | 85.2 | Confident | 86.6 | Confident | 19 Ų | 19 | 98 Ų | 98 | 20% | 0.196 | 57% | 0.565 | C | S | . | * | S | Bend | trans | 69.8 | 19.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | G88 G90 G95 | G88-G93 WeakPolarHBondContact CA-O 3.3Å; G88-G93 VanDerWaalsContact O-CA 3.25Å; G88-G93 WeakPolarHBondContact O-CA 3.31Å; G90-G93 PolarHBondContact O-N 3.15Å; G93-G95 PolarHBondContact O-N 2.94Å |
| 94 | A | 88.5 | Confident | 86.3 | Confident | 92 Ų | 92 | 100.1 Ų | 100.1 | 76% | 0.76 | 58% | 0.579 | S | S | * | * | trans | -73.2 | -4.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | E92 | E92-A94 VanDerWaalsContact C-N 3.28Å; E92-A94 PolarHBondContact O-N 2.77Å | ||
| 95 | G | 89.7 | Confident | 86 | Confident | 31 Ų | 31 | 99.3 Ų | 99.3 | 32% | 0.32 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -66.8 | 153 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G88 L89 G93 V97 | G88-G95 WeakPolarHBondContact CA-O 3.33Å; L89-G95 WeakPolarHBondContact O-CA 3.1Å; L89-G95 PolarHBondContact O-N 2.85Å; G93-G95 PolarHBondContact O-N 2.94Å; G95-V97 PolarHBondContact O-N 2.9Å |
| 96 | R | 87.2 | Confident | 85.7 | Confident | 180 Ų | 180 | 98.4 Ų | 98.4 | 68% | 0.679 | 57% | 0.568 | S | S | * | * | trans | -63.6 | 130 | 177.9 | -155.4 | 177.9 | -161.5 | 175 | 5 | 110.4 | D98 | R96-D98 WeakPolarHBondContact CD-O 3.33Å; R96-D98 WeakPolarHBondContact CG-O 3.26Å | ||
| 97 | V | 87.4 | Confident | 85.5 | Confident | 74 Ų | 74 | 101.5 Ų | 101.5 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -77.6 | -39.6 | 177.8 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | G95 | G95-V97 PolarHBondContact O-N 2.9Š|
| 98 | D | 84.4 | Confident | 85.4 | Confident | 116 Ų | 116 | 109.7 Ų | 109.7 | 62% | 0.62 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -91.9 | 142.7 | -177.3 | -57.8 | -39.4 | 0 | 0 | 0 | 112.3 | R96 | R96-D98 WeakPolarHBondContact CD-O 3.33Å; R96-D98 WeakPolarHBondContact CG-O 3.26Å |
| 99 | P | 84.8 | Confident | 85.1 | Confident | 94 Ų | 94 | 111.2 Ų | 111.2 | 61% | 0.61 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 152 | 172.6 | -23.1 | 33.3 | 0 | 0 | 0 | 112.8 | P101 | P99-P101 WeakPolarHBondContact O-CD 3.27Š|
| 100 | I | 87.4 | Confident | 84.9 | Confident | 128 Ų | 128 | 108.7 Ų | 108.7 | 66% | 0.656 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -68 | 127.1 | 175.9 | -60.1 | 173.5 | 0 | 0 | 0 | 109.2 | L102 | I100-L102 PolarHBondContact O-N 2.86Š|
| 101 | P | 83.3 | Confident | 84.5 | Confident | 102 Ų | 102 | 113.2 Ų | 113.2 | 66% | 0.662 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 131.6 | 177.2 | -23.2 | 33.1 | 0 | 0 | 0 | 112.2 | P99 | P99-P101 WeakPolarHBondContact O-CD 3.27Š|
| 102 | L | 83.1 | Confident | 84.2 | Confident | 119 Ų | 119 | 105.2 Ų | 105.2 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | trans | -92.8 | 112 | 176.7 | -90.4 | 123.1 | 0 | 0 | 0 | 111.5 | I100 | I100-L102 PolarHBondContact O-N 2.86Š| ||
| 103 | S | 82.1 | Confident | 84.1 | Confident | 111 Ų | 111 | 100.6 Ų | 100.6 | 78% | 0.776 | 58% | 0.583 | S | S | * | * | trans | -91.2 | 103.2 | 168.4 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 104 | I | 82.6 | Confident | 84 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 51% | 0.513 | 61% | 0.607 | S | S | . | * | trans | -89.7 | 115 | 174.3 | -62.8 | -178.6 | 0 | 0 | 0 | 108.5 | R60 A106 | R60-I104 VanDerWaalsContact CZ-CD1 3.48Å; R60-I104 VanDerWaalsContact NH1-CG1 3.25Å; I104-A106 PolarHBondContact O-N 3.43Å | ||
| 105 | K | 81.9 | Confident | 83.9 | Confident | 128 Ų | 128 | 108.4 Ų | 108.4 | 56% | 0.557 | 60% | 0.599 | S | S | * | * | trans | -75.8 | 103.6 | 168.7 | -69.8 | -174.1 | 173.8 | 177.1 | 0 | 108.8 | I111 | K105-I111 VanDerWaalsContact NZ-CG1 3.34Š| ||
| 106 | A | 80.9 | Confident | 83.7 | Confident | 61 Ų | 61 | 112.3 Ų | 112.3 | 50% | 0.504 | 61% | 0.61 | S | S | . | * | trans | -82 | -5.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | I104 | I104-A106 PolarHBondContact O-N 3.43Š| ||
| 107 | D | 79.7 | Confident | 83.8 | Confident | 119 Ų | 119 | 109.8 Ų | 109.8 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -100.5 | 151.3 | -174.5 | -62.4 | -23.8 | 0 | 0 | 0 | 111.8 | G109 | D107-G109 PolarHBondContact O-N 3.2Š|
| 108 | R | 84.8 | Confident | 83.9 | Confident | 262 Ų | 262 | 111.8 Ų | 111.8 | 99% | 0.989 | 61% | 0.607 | S | S | * | * | trans | -86.1 | 11.4 | 172.2 | -61.1 | -177.8 | 179.9 | -178.3 | -0.4 | 112.9 | ||||
| 109 | G | 82.7 | Confident | 84.2 | Confident | 40 Ų | 40 | 113.1 Ų | 113.1 | 41% | 0.412 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -76.5 | 151 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D107 | D107-G109 PolarHBondContact O-N 3.2Š|
| 110 | G | 85.1 | Confident | 84.6 | Confident | 57 Ų | 57 | 114.3 Ų | 114.3 | 59% | 0.588 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 150.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G112 L113 | G110-G112 PolarHBondContact O-N 3.25Å; G110-L113 WeakPolarHBondContact O-CB 3.37Å; G110-L113 PolarHBondContact O-N 3.46Å |
| 111 | I | 79.6 | Confident | 84.9 | Confident | 153 Ų | 153 | 110.6 Ų | 110.6 | 79% | 0.785 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 122.4 | 173.2 | -51.8 | -170.3 | 0 | 0 | 0 | 108.3 | K105 | K105-I111 VanDerWaalsContact NZ-CG1 3.34Š|
| 112 | G | 81.2 | Confident | 85.3 | Confident | 50 Ų | 50 | 110.9 Ų | 110.9 | 52% | 0.515 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 103.3 | -6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G110 E115 M116 | G110-G112 PolarHBondContact O-N 3.25Å; G112-E115 PolarHBondContact O-N 3.29Å; G112-M116 PolarHBondContact O-N 3.39Å |
| 113 | L | 85.4 | Confident | 85.9 | Confident | 76 Ų | 76 | 110.5 Ų | 110.5 | 40% | 0.398 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.8 | -37.1 | 179 | -175.7 | 66.1 | 0 | 0 | 0 | 113.1 | G110 M116 K117 | G110-L113 WeakPolarHBondContact O-CB 3.37Å; G110-L113 PolarHBondContact O-N 3.46Å; L113-M116 PolarHBondContact O-N 2.89Å; L113-K117 HydrophobicContact CG-CD 4.35Å; L113-K117 WeakPolarHBondContact O-CG 3.1Å; L113-K117 PolarHBondContact O-N 3.41Å |
| 114 | E | 83 | Confident | 86.5 | Confident | 149 Ų | 149 | 110.7 Ų | 110.7 | 70% | 0.696 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.3 | -43.8 | 176.6 | -89.3 | -179.9 | 142.3 | 0 | 0 | 112.2 | M116 K117 K118 | E114-M116 VanDerWaalsContact C-N 3.35Å; E114-M116 PolarHBondContact O-N 3.46Å; E114-K117 PolarHBondContact O-N 2.84Å; E114-K118 WeakPolarHBondContact O-CB 3.35Å; E114-K118 PolarHBondContact O-N 3.26Å |
| 115 | E | 85.6 | Confident | 87 | Confident | 127 Ų | 127 | 110.5 Ų | 110.5 | 59% | 0.593 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63 | -43.1 | 179.4 | -163.4 | 65 | -148.8 | 0 | 0 | 111.1 | G112 K117 K118 R119 | G112-E115 PolarHBondContact O-N 3.29Å; E115-K117 VanDerWaalsContact C-N 3.35Å; E115-K117 PolarHBondContact O-N 2.95Å; E115-K118 PolarHBondContact O-N 3.35Å; E115-R119 WeakPolarHBondContact O-CB 3.41Å; E115-R119 PolarHBondContact O-N 2.98Å |
| 116 | M | 86.2 | Confident | 87.6 | Confident | 112 Ų | 112 | 109.6 Ų | 109.6 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.5 | -41.1 | 177.1 | -165.4 | -137.1 | -161.1 | 0 | 0 | 111.9 | G112 L113 E114 K120 | G112-M116 PolarHBondContact O-N 3.39Å; L113-M116 PolarHBondContact O-N 2.89Å; E114-M116 VanDerWaalsContact C-N 3.35Å; E114-M116 PolarHBondContact O-N 3.46Å; M116-K120 WeakPolarHBondContact O-CB 3.5Å; M116-K120 PolarHBondContact O-N 3.44Å |
| 117 | K | 88.1 | Confident | 88.4 | Confident | 128 Ų | 128 | 111.3 Ų | 111.3 | 56% | 0.557 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.1 | -43.4 | 175.9 | -75.2 | 176.5 | 177.2 | -179.5 | 0 | 111.6 | L113 E114 E115 K120 A121 | L113-K117 HydrophobicContact CG-CD 4.35Å; L113-K117 WeakPolarHBondContact O-CG 3.1Å; L113-K117 PolarHBondContact O-N 3.41Å; E114-K117 PolarHBondContact O-N 2.84Å; E115-K117 VanDerWaalsContact C-N 3.35Å; E115-K117 PolarHBondContact O-N 2.95Å; K117-K120 PolarHBondContact O-N 2.95Å; K117-A121 WeakPolarHBondContact O-CB 3.35Å; K117-A121 PolarHBondContact O-N 3.19Å |
| 118 | K | 89.9 | Confident | 89.1 | Confident | 116 Ų | 116 | 113 Ų | 113 | 50% | 0.504 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.2 | -49.9 | 177.7 | -175.8 | -177.7 | 172.2 | -168.1 | 0 | 110.7 | E114 E115 K120 A121 E122 | E114-K118 WeakPolarHBondContact O-CB 3.35Å; E114-K118 PolarHBondContact O-N 3.26Å; E115-K118 PolarHBondContact O-N 3.35Å; K118-K120 PolarHBondContact O-N 3.45Å; K118-A121 PolarHBondContact O-N 2.9Å; K118-E122 WeakPolarHBondContact CE-OE1 3.36Å; K118-E122 WeakPolarHBondContact O-CG 3.34Å; K118-E122 PolarHBondContact O-N 3.42Å |
| 119 | R | 90.6 | Very high | 89.6 | Confident | 144 Ų | 144 | 108.8 Ų | 108.8 | 54% | 0.543 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.2 | -46.5 | 176.8 | -169.6 | -177.5 | 68.6 | -167.9 | -1.2 | 112 | E115 A121 E122 E123 | E115-R119 WeakPolarHBondContact O-CB 3.41Å; E115-R119 PolarHBondContact O-N 2.98Å; R119-A121 VanDerWaalsContact C-N 3.34Å; R119-A121 PolarHBondContact O-N 3.27Å; R119-E122 PolarHBondContact O-N 2.99Å; R119-E123 WeakPolarHBondContact CG-OE1 3.35Å; R119-E123 IonicContact NE-OE1 3.44Å; R119-E123 WeakPolarHBondContact O-CG 3.34Å; R119-E123 PolarHBondContact O-N 2.92Å |
| 120 | K | 94.1 | Very high | 90.2 | Very high | 119 Ų | 119 | 111.9 Ų | 111.9 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 177.3 | -174 | 176.5 | 178.8 | -177.7 | 0 | 112 | M116 K117 K118 E123 E124 | M116-K120 WeakPolarHBondContact O-CB 3.5Å; M116-K120 PolarHBondContact O-N 3.44Å; K117-K120 PolarHBondContact O-N 2.95Å; K118-K120 PolarHBondContact O-N 3.45Å; K120-E123 PolarHBondContact O-N 2.9Å; K120-E124 WeakPolarHBondContact CE-OE1 3.43Å; K120-E124 WeakPolarHBondContact O-CG 3.48Å; K120-E124 PolarHBondContact O-N 3.32Å |
| 121 | A | 92.9 | Very high | 90.7 | Very high | 50 Ų | 50 | 115.4 Ų | 115.4 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K117 K118 R119 E124 L125 | K117-A121 WeakPolarHBondContact O-CB 3.35Å; K117-A121 PolarHBondContact O-N 3.19Å; K118-A121 PolarHBondContact O-N 2.9Å; R119-A121 VanDerWaalsContact C-N 3.34Å; R119-A121 PolarHBondContact O-N 3.27Å; A121-E124 PolarHBondContact O-N 3.42Å; A121-L125 WeakPolarHBondContact O-CB 3.42Å; A121-L125 PolarHBondContact O-N 3.04Å |
| 122 | E | 92.6 | Very high | 91.5 | Very high | 108 Ų | 108 | 110.4 Ų | 110.4 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.9 | -73.1 | 171.9 | -178.7 | 0 | 0 | 112.2 | K118 R119 L125 H126 | K118-E122 WeakPolarHBondContact CE-OE1 3.36Å; K118-E122 WeakPolarHBondContact O-CG 3.34Å; K118-E122 PolarHBondContact O-N 3.42Å; R119-E122 PolarHBondContact O-N 2.99Å; E122-L125 PolarHBondContact O-N 3.46Å; E122-H126 WeakPolarHBondContact O-CB 3.4Å; E122-H126 PolarHBondContact O-N 3.38Å |
| 123 | E | 94.7 | Very high | 92.2 | Very high | 111 Ų | 111 | 116.1 Ų | 116.1 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 175 | -73.6 | 168.6 | -168.3 | 0 | 0 | 111.8 | R119 K120 H126 H127 | R119-E123 WeakPolarHBondContact CG-OE1 3.35Å; R119-E123 IonicContact NE-OE1 3.44Å; R119-E123 WeakPolarHBondContact O-CG 3.34Å; R119-E123 PolarHBondContact O-N 2.92Å; K120-E123 PolarHBondContact O-N 2.9Å; E123-H126 PolarHBondContact O-N 2.98Å; E123-H127 WeakPolarHBondContact O-CB 3.37Å; E123-H127 PolarHBondContact O-N 2.91Å |
| 124 | E | 95.3 | Very high | 92.7 | Very high | 114 Ų | 114 | 115.2 Ų | 115.2 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.7 | -76 | 176.2 | -174.3 | 0 | 0 | 111.8 | K120 A121 H127 Y128 | K120-E124 WeakPolarHBondContact CE-OE1 3.43Å; K120-E124 WeakPolarHBondContact O-CG 3.48Å; K120-E124 PolarHBondContact O-N 3.32Å; A121-E124 PolarHBondContact O-N 3.42Å; E124-H127 PolarHBondContact O-N 2.96Å; E124-Y128 WeakPolarHBondContact O-CB 3.18Å; E124-Y128 PolarHBondContact O-N 3.47Å |
| 125 | L | 93.5 | Very high | 93.3 | Very high | 96 Ų | 96 | 114.7 Ų | 114.7 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 177.3 | -123.4 | 150.8 | 0 | 0 | 0 | 111.7 | A121 E122 Y128 R129 | A121-L125 WeakPolarHBondContact O-CB 3.42Å; A121-L125 PolarHBondContact O-N 3.04Å; E122-L125 PolarHBondContact O-N 3.46Å; L125-Y128 PolarHBondContact O-N 3.43Å; L125-R129 WeakPolarHBondContact O-CG 3.39Å; L125-R129 PolarHBondContact O-N 3.32Å |
| 126 | H | 94.5 | Very high | 93.7 | Very high | 110 Ų | 110 | 114.3 Ų | 114.3 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 176.4 | 176.9 | -106.1 | 0 | 0 | 0 | 111.4 | E122 E123 Y128 R129 Q130 | E122-H126 WeakPolarHBondContact O-CB 3.4Å; E122-H126 PolarHBondContact O-N 3.38Å; E123-H126 PolarHBondContact O-N 2.98Å; H126-Y128 VanDerWaalsContact C-N 3.34Å; H126-Y128 PolarHBondContact O-N 3.47Å; H126-R129 PolarHBondContact O-N 3Å; H126-Q130 PolarHBondContact CE1-NE2 3.39Å; H126-Q130 PolarHBondContact NE2-NE2 2.98Å; H126-Q130 WeakPolarHBondContact O-CG 3.4Å; H126-Q130 PolarHBondContact O-N 3.31Å |
| 127 | H | 96.8 | Very high | 94 | Very high | 96 Ų | 96 | 113.4 Ų | 113.4 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 177.3 | -179.3 | -116.8 | 0 | 0 | 0 | 112.4 | E123 E124 Q130 K131 | E123-H127 WeakPolarHBondContact O-CB 3.37Å; E123-H127 PolarHBondContact O-N 2.91Å; E124-H127 PolarHBondContact O-N 2.96Å; H127-Q130 PolarHBondContact O-N 3.27Å; H127-K131 WeakPolarHBondContact CE1-CE 3.5Å; H127-K131 PolarHBondContact CE1-NZ 2.93Å; H127-K131 WeakPolarHBondContact NE2-CE 3.36Å; H127-K131 WeakPolarHBondContact O-CG 3.36Å; H127-K131 PolarHBondContact O-N 3.24Å |
| 128 | Y | 94.7 | Very high | 94.3 | Very high | 154 Ų | 154 | 112.7 Ų | 112.7 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -47.8 | 172.8 | 178.5 | -99.7 | 0 | 0 | 0 | 111.6 | E124 L125 H126 Q130 K131 V132 | E124-Y128 WeakPolarHBondContact O-CB 3.18Å; E124-Y128 PolarHBondContact O-N 3.47Å; L125-Y128 PolarHBondContact O-N 3.43Å; H126-Y128 VanDerWaalsContact C-N 3.34Å; H126-Y128 PolarHBondContact O-N 3.47Å; Y128-Q130 VanDerWaalsContact C-N 3.34Å; Y128-Q130 PolarHBondContact O-N 3.49Å; Y128-K131 PolarHBondContact O-N 2.97Å; Y128-V132 HydrophobicContact CD1-CG2 4.31Å; Y128-V132 HydrophobicContact CE1-CG2 3.89Å; Y128-V132 HydrophobicContact CE2-CG2 4.22Å; Y128-V132 WeakPolarHBondContact O-CG2 3.45Å; Y128-V132 PolarHBondContact O-N 3.24Å |
| 129 | R | 94.8 | Very high | 94.5 | Very high | 175 Ų | 175 | 111.6 Ų | 111.6 | 66% | 0.66 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.1 | -43.6 | 176.3 | -75 | 175.1 | 176.2 | -171.2 | -1.4 | 112.1 | L125 H126 V132 R133 | L125-R129 WeakPolarHBondContact O-CG 3.39Å; L125-R129 PolarHBondContact O-N 3.32Å; H126-R129 PolarHBondContact O-N 3Å; R129-V132 PolarHBondContact O-N 3.45Å; R129-R133 PolarHBondContact O-N 2.99Å |
| 130 | Q | 95.6 | Very high | 94.6 | Very high | 105 Ų | 105 | 107.5 Ų | 107.5 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.4 | -74 | -171.2 | -13.2 | 0 | 0 | 112.2 | H126 H127 Y128 V132 R133 A134 | H126-Q130 PolarHBondContact CE1-NE2 3.39Å; H126-Q130 PolarHBondContact NE2-NE2 2.98Å; H126-Q130 WeakPolarHBondContact O-CG 3.4Å; H126-Q130 PolarHBondContact O-N 3.31Å; H127-Q130 PolarHBondContact O-N 3.27Å; Y128-Q130 VanDerWaalsContact C-N 3.34Å; Y128-Q130 PolarHBondContact O-N 3.49Å; Q130-V132 PolarHBondContact O-N 2.88Å; Q130-R133 PolarHBondContact O-N 3.41Å; Q130-A134 WeakPolarHBondContact O-CB 3.3Å; Q130-A134 PolarHBondContact O-N 3.4Å |
| 131 | K | 96.6 | Very high | 94.6 | Very high | 130 Ų | 130 | 107.8 Ų | 107.8 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -43.6 | 176.7 | -79.8 | -179.3 | 166.9 | 179.3 | 0 | 112.6 | H127 Y128 A134 K135 | H127-K131 WeakPolarHBondContact CE1-CE 3.5Å; H127-K131 PolarHBondContact CE1-NZ 2.93Å; H127-K131 WeakPolarHBondContact NE2-CE 3.36Å; H127-K131 WeakPolarHBondContact O-CG 3.36Å; H127-K131 PolarHBondContact O-N 3.24Å; Y128-K131 PolarHBondContact O-N 2.97Å; K131-A134 PolarHBondContact O-N 3.42Å; K131-K135 WeakPolarHBondContact O-CB 3.36Å; K131-K135 PolarHBondContact O-N 3.38Å |
| 132 | V | 96 | Very high | 94.7 | Very high | 49 Ų | 49 | 108.9 Ų | 108.9 | 30% | 0.297 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | Y128 R129 Q130 A134 K135 Q136 | Y128-V132 HydrophobicContact CD1-CG2 4.31Å; Y128-V132 HydrophobicContact CE1-CG2 3.89Å; Y128-V132 HydrophobicContact CE2-CG2 4.22Å; Y128-V132 WeakPolarHBondContact O-CG2 3.45Å; Y128-V132 PolarHBondContact O-N 3.24Å; R129-V132 PolarHBondContact O-N 3.45Å; Q130-V132 PolarHBondContact O-N 2.88Å; V132-A134 PolarHBondContact O-N 3.41Å; V132-K135 PolarHBondContact O-N 2.94Å; V132-Q136 WeakPolarHBondContact O-CG 3.43Å; V132-Q136 PolarHBondContact O-N 3.26Å |
| 133 | R | 95.6 | Very high | 94.7 | Very high | 170 Ų | 170 | 109.3 Ų | 109.3 | 64% | 0.642 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 177.2 | -171 | 178.5 | -176.1 | -178.8 | 2.4 | 112.1 | R129 Q130 K135 Q136 Q137 | R129-R133 PolarHBondContact O-N 2.99Å; Q130-R133 PolarHBondContact O-N 3.41Å; R133-K135 VanDerWaalsContact C-N 3.32Å; R133-K135 PolarHBondContact O-N 3.33Å; R133-Q136 PolarHBondContact O-N 3.01Å; R133-Q137 WeakPolarHBondContact O-CB 3.41Å; R133-Q137 WeakPolarHBondContact O-CG 3.11Å; R133-Q137 PolarHBondContact O-N 2.92Å |
| 134 | A | 95.9 | Very high | 94.6 | Very high | 56 Ų | 56 | 110.6 Ų | 110.6 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q130 K131 V132 Q137 N138 | Q130-A134 WeakPolarHBondContact O-CB 3.3Å; Q130-A134 PolarHBondContact O-N 3.4Å; K131-A134 PolarHBondContact O-N 3.42Å; V132-A134 PolarHBondContact O-N 3.41Å; A134-Q137 PolarHBondContact O-N 3.44Å; A134-N138 WeakPolarHBondContact O-CB 3.47Å; A134-N138 PolarHBondContact O-N 2.89Å |
| 135 | K | 95.5 | Very high | 94.5 | Very high | 138 Ų | 138 | 109.2 Ų | 109.2 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.1 | -48.9 | 176.2 | -168.4 | -175.5 | -176.5 | -155.4 | 0 | 111.7 | K131 V132 R133 Q137 N138 E139 | K131-K135 WeakPolarHBondContact O-CB 3.36Å; K131-K135 PolarHBondContact O-N 3.38Å; V132-K135 PolarHBondContact O-N 2.94Å; R133-K135 VanDerWaalsContact C-N 3.32Å; R133-K135 PolarHBondContact O-N 3.33Å; K135-Q137 VanDerWaalsContact C-N 3.33Å; K135-Q137 PolarHBondContact O-N 3.08Å; K135-N138 PolarHBondContact O-N 3.35Å; K135-E139 WeakPolarHBondContact CE-OE1 3.32Å; K135-E139 IonicContact NZ-OE1 2.95Å; K135-E139 WeakPolarHBondContact O-CG 3.44Å; K135-E139 PolarHBondContact O-N 3.19Å |
| 136 | Q | 93.7 | Very high | 94.5 | Very high | 119 Ų | 119 | 111.2 Ų | 111.2 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60 | -42.3 | 177.5 | -71.6 | 175.9 | 10.3 | 0 | 0 | 112.1 | V132 R133 E139 A140 | V132-Q136 WeakPolarHBondContact O-CG 3.43Å; V132-Q136 PolarHBondContact O-N 3.26Å; R133-Q136 PolarHBondContact O-N 3.01Å; Q136-E139 PolarHBondContact O-N 3.42Å; Q136-A140 WeakPolarHBondContact O-CB 3.37Å; Q136-A140 PolarHBondContact O-N 3.37Å |
| 137 | Q | 93.8 | Very high | 94.4 | Very high | 94 Ų | 94 | 115.4 Ų | 115.4 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 176.1 | -74.9 | -179.7 | -4.3 | 0 | 0 | 112.2 | R133 A134 K135 A140 K141 | R133-Q137 WeakPolarHBondContact O-CB 3.41Å; R133-Q137 WeakPolarHBondContact O-CG 3.11Å; R133-Q137 PolarHBondContact O-N 2.92Å; A134-Q137 PolarHBondContact O-N 3.44Å; K135-Q137 VanDerWaalsContact C-N 3.33Å; K135-Q137 PolarHBondContact O-N 3.08Å; Q137-A140 PolarHBondContact O-N 3.41Å; Q137-K141 WeakPolarHBondContact O-CB 3.46Å; Q137-K141 VanDerWaalsContact O-CG 3.29Å; Q137-K141 WeakPolarHBondContact O-CG 3.13Å; Q137-K141 PolarHBondContact O-N 2.98Å |
| 138 | N | 94.4 | Very high | 94.2 | Very high | 112 Ų | 112 | 113.4 Ų | 113.4 | 60% | 0.599 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67 | -41.1 | 177.8 | -167.5 | 58 | 0 | 0 | 0 | 111.8 | A134 K135 K141 S142 | A134-N138 WeakPolarHBondContact O-CB 3.47Å; A134-N138 PolarHBondContact O-N 2.89Å; K135-N138 PolarHBondContact O-N 3.35Å; N138-K141 PolarHBondContact O-N 2.91Å; N138-S142 VanDerWaalsContact O-CB 3.32Å; N138-S142 WeakPolarHBondContact O-CB 3.29Å; N138-S142 PolarHBondContact O-N 3.49Å |
| 139 | E | 93.7 | Very high | 94.2 | Very high | 94 Ų | 94 | 114.4 Ų | 114.4 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 173.7 | -73.1 | 171.1 | -179.5 | 0 | 0 | 111.2 | K135 Q136 S142 L143 | K135-E139 WeakPolarHBondContact CE-OE1 3.32Å; K135-E139 IonicContact NZ-OE1 2.95Å; K135-E139 WeakPolarHBondContact O-CG 3.44Å; K135-E139 PolarHBondContact O-N 3.19Å; Q136-E139 PolarHBondContact O-N 3.42Å; E139-S142 PolarHBondContact O-N 2.94Å; E139-L143 WeakPolarHBondContact O-CG 3.38Å; E139-L143 PolarHBondContact O-N 3.21Å |
| 140 | A | 92.5 | Very high | 94.1 | Very high | 57 Ų | 57 | 109 Ų | 109 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q136 Q137 S142 L143 E144 | Q136-A140 WeakPolarHBondContact O-CB 3.37Å; Q136-A140 PolarHBondContact O-N 3.37Å; Q137-A140 PolarHBondContact O-N 3.41Å; A140-S142 PolarHBondContact O-N 3.23Å; A140-L143 PolarHBondContact O-N 3.48Å; A140-E144 PolarHBondContact O-N 3.41Å |
| 141 | K | 94 | Very high | 93.9 | Very high | 126 Ų | 126 | 112 Ų | 112 | 55% | 0.548 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.8 | -74.4 | 177.1 | 179.7 | -172.4 | 0 | 111.7 | Q137 N138 L143 E144 D145 | Q137-K141 WeakPolarHBondContact O-CB 3.46Å; Q137-K141 VanDerWaalsContact O-CG 3.29Å; Q137-K141 WeakPolarHBondContact O-CG 3.13Å; Q137-K141 PolarHBondContact O-N 2.98Å; N138-K141 PolarHBondContact O-N 2.91Å; K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 PolarHBondContact O-N 2.93Å; K141-E144 PolarHBondContact O-N 2.89Å; K141-D145 WeakPolarHBondContact O-CB 3.4Å; K141-D145 VanDerWaalsContact O-CG 3.27Å; K141-D145 PolarHBondContact O-N 3.49Å |
| 142 | S | 93.8 | Very high | 93.7 | Very high | 72 Ų | 72 | 108.9 Ų | 108.9 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 178 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | N138 E139 A140 F146 | N138-S142 VanDerWaalsContact O-CB 3.32Å; N138-S142 WeakPolarHBondContact O-CB 3.29Å; N138-S142 PolarHBondContact O-N 3.49Å; E139-S142 PolarHBondContact O-N 2.94Å; A140-S142 PolarHBondContact O-N 3.23Å; S142-F146 PolarHBondContact O-N 3.17Å; S142-F146 VanDerWaalsContact O-N 3.12Å |
| 143 | L | 93.3 | Very high | 93.4 | Very high | 118 Ų | 118 | 112.6 Ų | 112.6 | 62% | 0.618 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.6 | -39.8 | 176.3 | -73.4 | 171.7 | 0 | 0 | 0 | 111.8 | E139 A140 K141 F146 R147 | E139-L143 WeakPolarHBondContact O-CG 3.38Å; E139-L143 PolarHBondContact O-N 3.21Å; A140-L143 PolarHBondContact O-N 3.48Å; K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 PolarHBondContact O-N 2.93Å; L143-F146 PolarHBondContact O-N 3.43Å; L143-R147 VanDerWaalsContact O-CG 3.3Å; L143-R147 WeakPolarHBondContact O-CG 3.42Å; L143-R147 PolarHBondContact O-N 2.92Å; L143-R147 VanDerWaalsContact O-N 3.08Å |
| 144 | E | 93.4 | Very high | 93.3 | Very high | 138 Ų | 138 | 113 Ų | 113 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.9 | -44.9 | 175.9 | -171.8 | 168.1 | -163.9 | 0 | 0 | 111.5 | A140 K141 F146 R147 S148 | A140-E144 PolarHBondContact O-N 3.41Å; K141-E144 PolarHBondContact O-N 2.89Å; E144-F146 VanDerWaalsContact C-N 3.31Å; E144-F146 PolarHBondContact O-N 3.45Å; E144-R147 PolarHBondContact O-N 3.14Å; E144-R147 VanDerWaalsContact O-N 3.14Å; E144-S148 PolarHBondContact O-N 3.43Å; E144-S148 PolarHBondContact O-OG 2.87Å |
| 145 | D | 93.6 | Very high | 93 | Very high | 85 Ų | 85 | 114.3 Ų | 114.3 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 175.4 | -72.1 | -18.6 | 0 | 0 | 0 | 112.5 | K141 S148 R149 | K141-D145 WeakPolarHBondContact O-CB 3.4Å; K141-D145 VanDerWaalsContact O-CG 3.27Å; K141-D145 PolarHBondContact O-N 3.49Å; D145-S148 WeakPolarHBondContact CA-OG 3.4Å; D145-S148 PolarHBondContact O-OG 2.99Å; D145-R149 VanDerWaalsContact O-CG 3.24Å; D145-R149 WeakPolarHBondContact O-CG 3.4Å; D145-R149 PolarHBondContact O-N 3.49Å; D145-R149 VanDerWaalsContact O-N 3.14Å |
| 146 | F | 91.8 | Very high | 92.7 | Very high | 138 Ų | 138 | 113.7 Ų | 113.7 | 61% | 0.605 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.4 | -42.9 | 174.6 | 179.2 | -101.4 | 0 | 0 | 0 | 111.5 | S142 L143 E144 R149 V150 | S142-F146 PolarHBondContact O-N 3.17Å; S142-F146 VanDerWaalsContact O-N 3.12Å; L143-F146 PolarHBondContact O-N 3.43Å; E144-F146 VanDerWaalsContact C-N 3.31Å; E144-F146 PolarHBondContact O-N 3.45Å; F146-R149 PolarHBondContact O-N 3.06Å; F146-V150 HydrophobicContact CD1-CG2 4.35Å; F146-V150 HydrophobicContact CD2-CG2 4.49Å; F146-V150 HydrophobicContact CE1-CG2 3.91Å; F146-V150 HydrophobicContact CE2-CG2 4.06Å; F146-V150 HydrophobicContact CZ-CG2 3.75Å; F146-V150 WeakPolarHBondContact O-CG2 3.44Å; F146-V150 PolarHBondContact O-N 3.14Å |
| 147 | R | 94 | Very high | 92.7 | Very high | 197 Ų | 197 | 117.5 Ų | 117.5 | 74% | 0.743 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.1 | -38.8 | 179.8 | -69 | 174.3 | 91.4 | 148.6 | 6.9 | 112.1 | L143 E144 R151 | L143-R147 VanDerWaalsContact O-CG 3.3Å; L143-R147 WeakPolarHBondContact O-CG 3.42Å; L143-R147 PolarHBondContact O-N 2.92Å; L143-R147 VanDerWaalsContact O-N 3.08Å; E144-R147 PolarHBondContact O-N 3.14Å; E144-R147 VanDerWaalsContact O-N 3.14Å; R147-R151 WeakPolarHBondContact O-CB 3.38Å; R147-R151 PolarHBondContact O-N 2.9Å |
| 148 | S | 92.7 | Very high | 92.6 | Very high | 55 Ų | 55 | 118.1 Ų | 118.1 | 39% | 0.385 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 175.9 | 64 | 0 | 0 | 0 | 0 | 110.8 | E144 D145 V150 R151 T152 | E144-S148 PolarHBondContact O-N 3.43Å; E144-S148 PolarHBondContact O-OG 2.87Å; D145-S148 WeakPolarHBondContact CA-OG 3.4Å; D145-S148 PolarHBondContact O-OG 2.99Å; S148-V150 PolarHBondContact O-N 2.92Å; S148-R151 WeakPolarHBondContact O-CB 3.41Å; S148-R151 PolarHBondContact O-N 2.86Å; S148-R151 VanDerWaalsContact O-N 3.16Å; S148-T152 WeakPolarHBondContact O-CG2 3.35Å; S148-T152 PolarHBondContact O-N 3.12Å; S148-T152 PolarHBondContact O-OG1 3.39Å |
| 149 | R | 93.2 | Very high | 92.6 | Very high | 174 Ų | 174 | 115.1 Ų | 115.1 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.4 | -47.1 | 176.6 | -72.8 | 174.1 | -171.1 | -171.1 | 3.2 | 113.4 | D145 F146 R151 T152 E153 | D145-R149 VanDerWaalsContact O-CG 3.24Å; D145-R149 WeakPolarHBondContact O-CG 3.4Å; D145-R149 PolarHBondContact O-N 3.49Å; D145-R149 VanDerWaalsContact O-N 3.14Å; F146-R149 PolarHBondContact O-N 3.06Å; R149-R151 VanDerWaalsContact C-N 3.26Å; R149-R151 PolarHBondContact O-N 3.16Å; R149-T152 WeakPolarHBondContact CA-OG1 3.17Å; R149-T152 PolarHBondContact O-N 3.06Å; R149-T152 PolarHBondContact O-OG1 3.28Å; R149-E153 VanDerWaalsContact O-CB 3.3Å; R149-E153 WeakPolarHBondContact O-CB 3.49Å; R149-E153 PolarHBondContact O-N 2.89Å |
| 150 | V | 93.4 | Very high | 92.6 | Very high | 61 Ų | 61 | 114.8 Ų | 114.8 | 37% | 0.37 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -34.6 | 178.9 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | F146 S148 R154 | F146-V150 HydrophobicContact CD1-CG2 4.35Å; F146-V150 HydrophobicContact CD2-CG2 4.49Å; F146-V150 HydrophobicContact CE1-CG2 3.91Å; F146-V150 HydrophobicContact CE2-CG2 4.06Å; F146-V150 HydrophobicContact CZ-CG2 3.75Å; F146-V150 WeakPolarHBondContact O-CG2 3.44Å; F146-V150 PolarHBondContact O-N 3.14Å; S148-V150 PolarHBondContact O-N 2.92Å; V150-R154 WeakPolarHBondContact O-CB 3.43Å; V150-R154 PolarHBondContact O-N 3.42Å; V150-R154 VanDerWaalsContact O-N 3.17Å |
| 151 | R | 92.2 | Very high | 92.6 | Very high | 168 Ų | 168 | 113.5 Ų | 113.5 | 63% | 0.634 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.8 | -50.3 | 175.2 | -179.5 | -179 | 174.3 | -177.9 | -0.1 | 111.2 | R147 S148 R149 E153 R154 E155 | R147-R151 WeakPolarHBondContact O-CB 3.38Å; R147-R151 PolarHBondContact O-N 2.9Å; S148-R151 WeakPolarHBondContact O-CB 3.41Å; S148-R151 PolarHBondContact O-N 2.86Å; S148-R151 VanDerWaalsContact O-N 3.16Å; R149-R151 VanDerWaalsContact C-N 3.26Å; R149-R151 PolarHBondContact O-N 3.16Å; R151-E153 PolarHBondContact O-N 3.38Å; R151-R154 PolarHBondContact O-N 2.82Å; R151-E155 WeakPolarHBondContact CG-OE1 3.45Å; R151-E155 IonicContact CZ-OE1 3.46Å; R151-E155 IonicContact NE-OE1 2.96Å; R151-E155 PolarHBondContact NE-OE1 3.3Å; R151-E155 IonicContact NH2-OE1 3.32Å; R151-E155 PolarHBondContact NH2-OE1 3.4Å; R151-E155 WeakPolarHBondContact O-CG 3.3Å; R151-E155 PolarHBondContact O-N 3.43Å |
| 152 | T | 90.4 | Very high | 92.6 | Very high | 65 Ų | 65 | 108.1 Ų | 108.1 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | -179.6 | 55.6 | 0 | 0 | 0 | 0 | 111.2 | S148 R149 R154 E155 E156 | S148-T152 WeakPolarHBondContact O-CG2 3.35Å; S148-T152 PolarHBondContact O-N 3.12Å; S148-T152 PolarHBondContact O-OG1 3.39Å; R149-T152 WeakPolarHBondContact CA-OG1 3.17Å; R149-T152 PolarHBondContact O-N 3.06Å; R149-T152 PolarHBondContact O-OG1 3.28Å; T152-R154 VanDerWaalsContact C-N 3.32Å; T152-R154 PolarHBondContact O-N 3.23Å; T152-E155 PolarHBondContact O-N 3.19Å; T152-E155 VanDerWaalsContact O-N 3.14Å; T152-E156 WeakPolarHBondContact O-CB 3.44Å; T152-E156 WeakPolarHBondContact O-CG 3.35Å; T152-E156 PolarHBondContact O-N 3.38Å |
| 153 | E | 91.4 | Very high | 92.6 | Very high | 128 Ų | 128 | 105.4 Ų | 105.4 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.2 | -39.3 | 177.5 | -173.6 | -175.1 | 173.1 | 0 | 0 | 112 | R149 R151 R157 | R149-E153 VanDerWaalsContact O-CB 3.3Å; R149-E153 WeakPolarHBondContact O-CB 3.49Å; R149-E153 PolarHBondContact O-N 2.89Å; R151-E153 PolarHBondContact O-N 3.38Å; E153-R157 WeakPolarHBondContact O-CB 3.24Å; E153-R157 PolarHBondContact O-N 2.8Å |
| 154 | R | 92 | Very high | 92.7 | Very high | 179 Ų | 179 | 105.7 Ų | 105.7 | 68% | 0.675 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.2 | -41 | 174.9 | -180 | -179.4 | -79.4 | 179.3 | -5.5 | 111.9 | V150 R151 T152 R157 K158 | V150-R154 WeakPolarHBondContact O-CB 3.43Å; V150-R154 PolarHBondContact O-N 3.42Å; V150-R154 VanDerWaalsContact O-N 3.17Å; R151-R154 PolarHBondContact O-N 2.82Å; T152-R154 VanDerWaalsContact C-N 3.32Å; T152-R154 PolarHBondContact O-N 3.23Å; R154-R157 PolarHBondContact O-N 3.04Å; R154-K158 PolarHBondContact O-N 2.67Å |
| 155 | E | 90.1 | Very high | 92.7 | Very high | 83 Ų | 83 | 105.8 Ų | 105.8 | 39% | 0.388 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 177 | -73.5 | 170.1 | -177.4 | 0 | 0 | 110.6 | R151 T152 R157 K158 I159 | R151-E155 WeakPolarHBondContact CG-OE1 3.45Å; R151-E155 IonicContact CZ-OE1 3.46Å; R151-E155 IonicContact NE-OE1 2.96Å; R151-E155 PolarHBondContact NE-OE1 3.3Å; R151-E155 IonicContact NH2-OE1 3.32Å; R151-E155 PolarHBondContact NH2-OE1 3.4Å; R151-E155 WeakPolarHBondContact O-CG 3.3Å; R151-E155 PolarHBondContact O-N 3.43Å; T152-E155 PolarHBondContact O-N 3.19Å; T152-E155 VanDerWaalsContact O-N 3.14Å; E155-R157 PolarHBondContact O-N 3.45Å; E155-K158 WeakPolarHBondContact O-CB 3.44Å; E155-K158 PolarHBondContact O-N 3.02Å; E155-I159 WeakPolarHBondContact O-CG1 3.34Å; E155-I159 PolarHBondContact O-N 3.04Å |
| 156 | E | 90.3 | Very high | 92.7 | Very high | 124 Ų | 124 | 101.7 Ų | 101.7 | 58% | 0.579 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.8 | -43.9 | 174.7 | -73.7 | 172.7 | -179.5 | 0 | 0 | 112 | T152 K158 I159 E160 | T152-E156 WeakPolarHBondContact O-CB 3.44Å; T152-E156 WeakPolarHBondContact O-CG 3.35Å; T152-E156 PolarHBondContact O-N 3.38Å; E156-K158 VanDerWaalsContact C-N 3.33Å; E156-K158 PolarHBondContact O-N 3.36Å; E156-I159 WeakPolarHBondContact O-CB 3.36Å; E156-I159 PolarHBondContact O-N 3.17Å; E156-E160 PolarHBondContact O-N 2.83Å |
| 157 | R | 92.9 | Very high | 92.9 | Very high | 199 Ų | 199 | 96.5 Ų | 96.5 | 75% | 0.751 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.1 | -35.2 | 177 | -172.6 | 174.6 | 179.1 | 147.8 | 2.2 | 112.8 | E153 R154 E155 G161 | E153-R157 WeakPolarHBondContact O-CB 3.24Å; E153-R157 PolarHBondContact O-N 2.8Å; R154-R157 PolarHBondContact O-N 3.04Å; E155-R157 PolarHBondContact O-N 3.45Å; R157-G161 PolarHBondContact O-N 3.26Å |
| 158 | K | 92.4 | Very high | 92.9 | Very high | 107 Ų | 107 | 94.4 Ų | 94.4 | 47% | 0.465 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.1 | -49 | 171.6 | -80.4 | -172.7 | 173.4 | -166.8 | 0 | 110 | R154 E155 E156 E160 G161 D162 E263 | R154-K158 PolarHBondContact O-N 2.67Å; E155-K158 WeakPolarHBondContact O-CB 3.44Å; E155-K158 PolarHBondContact O-N 3.02Å; E156-K158 VanDerWaalsContact C-N 3.33Å; E156-K158 PolarHBondContact O-N 3.36Å; K158-E160 VanDerWaalsContact C-N 3.33Å; K158-E160 PolarHBondContact O-N 3.28Å; K158-G161 PolarHBondContact O-N 3.03Å; K158-G161 VanDerWaalsContact O-N 3.17Å; K158-D162 PolarHBondContact O-N 2.68Å; K158-E263 IonicContact NZ-OE1 2.76Å; K158-E263 PolarHBondContact NZ-OE1 3.12Å |
| 159 | I | 93.9 | Very high | 92.9 | Very high | 49 Ų | 49 | 92.7 Ų | 92.7 | 25% | 0.251 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 178.6 | -68.9 | 166.3 | 0 | 0 | 0 | 111 | E155 E156 D162 L163 P219 L223 | E155-I159 WeakPolarHBondContact O-CG1 3.34Å; E155-I159 PolarHBondContact O-N 3.04Å; E156-I159 WeakPolarHBondContact O-CB 3.36Å; E156-I159 PolarHBondContact O-N 3.17Å; I159-D162 PolarHBondContact O-N 3.49Å; I159-L163 VanDerWaalsContact O-CB 3.31Å; I159-L163 WeakPolarHBondContact O-CB 3.36Å; I159-L163 PolarHBondContact O-N 3.44Å; I159-P219 HydrophobicContact CG2-CB 3.93Å; I159-L223 HydrophobicContact CG2-CB 4.39Å; I159-L223 HydrophobicContact CG2-CD2 4.11Å |
| 160 | E | 92.8 | Very high | 93 | Very high | 87 Ų | 87 | 84.4 Ų | 84.4 | 41% | 0.407 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 178.3 | -166 | -170.4 | 163.6 | 0 | 0 | 111.8 | E156 K158 L163 R164 | E156-E160 PolarHBondContact O-N 2.83Å; K158-E160 VanDerWaalsContact C-N 3.33Å; K158-E160 PolarHBondContact O-N 3.28Å; E160-L163 PolarHBondContact O-N 3.43Å; E160-R164 WeakPolarHBondContact O-CG 3.48Å; E160-R164 PolarHBondContact O-N 3.2Å; E160-R164 IonicContact OE1-CZ 3.42Å; E160-R164 IonicContact OE1-NE 2.76Å; E160-R164 PolarHBondContact OE1-NE 3.27Å; E160-R164 IonicContact OE1-NH2 3.33Å; E160-R164 PolarHBondContact OE1-NH2 2.91Å |
| 161 | G | 93.4 | Very high | 93 | Very high | 30 Ų | 30 | 84.8 Ų | 84.8 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R157 K158 L163 R164 R165 | R157-G161 PolarHBondContact O-N 3.26Å; K158-G161 PolarHBondContact O-N 3.03Å; K158-G161 VanDerWaalsContact O-N 3.17Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-R164 PolarHBondContact O-N 3.02Å; G161-R165 WeakPolarHBondContact O-CG 2.95Å; G161-R165 PolarHBondContact O-N 2.92Å |
| 162 | D | 94.1 | Very high | 93 | Very high | 14 Ų | 14 | 82.6 Ų | 82.6 | 8% | 0.075 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 175.8 | -73.3 | 13.1 | 0 | 0 | 0 | 111.6 | K158 I159 R165 S166 L223 W239 | K158-D162 PolarHBondContact O-N 2.68Å; I159-D162 PolarHBondContact O-N 3.49Å; D162-R165 PolarHBondContact O-N 3.35Å; D162-R165 IonicContact OD1-CZ 3.71Å; D162-R165 IonicContact OD1-NE 3.83Å; D162-R165 IonicContact OD1-NH2 3.01Å; D162-R165 PolarHBondContact OD1-NH2 2.61Å; D162-S166 WeakPolarHBondContact O-CB 3.47Å; D162-S166 PolarHBondContact O-N 3.18Å; D162-S166 PolarHBondContact O-OG 3.2Å; D162-L223 HydrophobicContact CB-CD1 3.83Å; D162-L223 HydrophobicContact CB-CD2 3.71Å; D162-L223 HydrophobicContact CB-CG 4.46Å; D162-W239 PolarHBondContact OD2-NE1 2.96Å |
| 163 | L | 94.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 80.3 Ų | 80.3 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -48.8 | 176.9 | 178.2 | 60.8 | 0 | 0 | 0 | 110.5 | I159 E160 G161 R165 S166 Q167 W186 P219 K222 L223 I226 | I159-L163 VanDerWaalsContact O-CB 3.31Å; I159-L163 WeakPolarHBondContact O-CB 3.36Å; I159-L163 PolarHBondContact O-N 3.44Å; E160-L163 PolarHBondContact O-N 3.43Å; G161-L163 VanDerWaalsContact C-N 3.34Å; L163-R165 VanDerWaalsContact C-N 3.32Å; L163-R165 PolarHBondContact O-N 3.38Å; L163-S166 PolarHBondContact O-N 2.97Å; L163-Q167 HydrophobicContact CD1-CG 4.26Å; L163-Q167 HydrophobicContact CG-CG 4.48Å; L163-Q167 WeakPolarHBondContact O-CB 3.3Å; L163-Q167 VanDerWaalsContact O-CG 3.28Å; L163-Q167 WeakPolarHBondContact O-CG 3.42Å; L163-Q167 PolarHBondContact O-N 3.4Å; L163-W186 HydrophobicContact CD1-CZ3 4.26Å; L163-P219 HydrophobicContact CD2-CB 4.49Å; L163-K222 HydrophobicContact CD1-CB 3.94Å; L163-K222 HydrophobicContact CD2-CB 3.97Å; L163-K222 HydrophobicContact CD2-CD 4.37Å; L163-L223 HydrophobicContact CB-CD1 4.4Å; L163-L223 HydrophobicContact CD1-CB 4.48Å; L163-I226 HydrophobicContact CD1-CG2 3.96Å |
| 164 | R | 94.2 | Very high | 93.2 | Very high | 124 Ų | 124 | 74.2 Ų | 74.2 | 47% | 0.468 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 176.9 | -72.2 | 179.3 | -172.9 | -148.3 | 5 | 112.2 | E160 G161 Q167 R168 | E160-R164 WeakPolarHBondContact O-CG 3.48Å; E160-R164 PolarHBondContact O-N 3.2Å; E160-R164 IonicContact OE1-CZ 3.42Å; E160-R164 IonicContact OE1-NE 2.76Å; E160-R164 PolarHBondContact OE1-NE 3.27Å; E160-R164 IonicContact OE1-NH2 3.33Å; E160-R164 PolarHBondContact OE1-NH2 2.91Å; G161-R164 PolarHBondContact O-N 3.02Å; R164-Q167 PolarHBondContact O-N 3.36Å; R164-R168 WeakPolarHBondContact O-CG 3.41Å; R164-R168 PolarHBondContact O-N 2.83Å; R164-R168 VanDerWaalsContact O-N 3.14Å |
| 165 | R | 93.6 | Very high | 93.2 | Very high | 140 Ų | 140 | 69.8 Ų | 69.8 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 175.1 | -74.3 | -170.6 | -74 | -178.3 | -2.1 | 112 | G161 D162 L163 S169 V238 | G161-R165 WeakPolarHBondContact O-CG 2.95Å; G161-R165 PolarHBondContact O-N 2.92Å; D162-R165 PolarHBondContact O-N 3.35Å; D162-R165 IonicContact OD1-CZ 3.71Å; D162-R165 IonicContact OD1-NE 3.83Å; D162-R165 IonicContact OD1-NH2 3.01Å; D162-R165 PolarHBondContact OD1-NH2 2.61Å; L163-R165 VanDerWaalsContact C-N 3.32Å; L163-R165 PolarHBondContact O-N 3.38Å; R165-S169 WeakPolarHBondContact O-CB 3.23Å; R165-S169 PolarHBondContact O-N 2.89Å; R165-S169 PolarHBondContact O-OG 2.89Å; R165-V238 HydrophobicContact CB-CG2 4.22Å |
| 166 | S | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65 | -42.9 | 177.2 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | D162 L163 R168 S169 C170 | D162-S166 WeakPolarHBondContact O-CB 3.47Å; D162-S166 PolarHBondContact O-N 3.18Å; D162-S166 PolarHBondContact O-OG 3.2Å; L163-S166 PolarHBondContact O-N 2.97Å; S166-R168 PolarHBondContact O-N 3.14Å; S166-S169 PolarHBondContact O-N 3.46Å; S166-C170 VanDerWaalsContact O-CB 3.3Å; S166-C170 WeakPolarHBondContact O-CB 3.49Å; S166-C170 PolarHBondContact O-N 2.99Å |
| 167 | Q | 94.6 | Very high | 93.3 | Very high | 29 Ų | 29 | 72.8 Ų | 72.8 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 178.1 | -74.2 | 170.2 | -27 | 0 | 0 | 112.2 | L163 R164 S169 C170 E171 W186 Y187 P189 I226 | L163-Q167 HydrophobicContact CD1-CG 4.26Å; L163-Q167 HydrophobicContact CG-CG 4.48Å; L163-Q167 WeakPolarHBondContact O-CB 3.3Å; L163-Q167 VanDerWaalsContact O-CG 3.28Å; L163-Q167 WeakPolarHBondContact O-CG 3.42Å; L163-Q167 PolarHBondContact O-N 3.4Å; R164-Q167 PolarHBondContact O-N 3.36Å; Q167-S169 VanDerWaalsContact C-N 3.35Å; Q167-S169 PolarHBondContact O-N 3.43Å; Q167-C170 WeakPolarHBondContact O-CB 3.37Å; Q167-C170 PolarHBondContact O-N 3.13Å; Q167-E171 PolarHBondContact O-N 2.88Å; Q167-W186 PolarHBondContact NE2-O 2.83Å; Q167-Y187 VanDerWaalsContact CA-O 3.26Å; Q167-Y187 WeakPolarHBondContact CA-O 2.9Å; Q167-Y187 WeakPolarHBondContact CB-O 3.01Å; Q167-Y187 WeakPolarHBondContact CG-O 3.35Å; Q167-P189 HydrophobicContact CB-CG 4.08Å; Q167-I226 HydrophobicContact CB-CD1 4.28Å; Q167-I226 HydrophobicContact CG-CD1 3.74Å |
| 168 | R | 93.9 | Very high | 93.1 | Very high | 153 Ų | 153 | 66.1 Ų | 66.1 | 58% | 0.577 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.3 | -41.9 | 176.5 | -70.1 | 177.9 | -176.1 | -174.5 | -0.8 | 112.3 | R164 S166 C170 Q172 P189 | R164-R168 WeakPolarHBondContact O-CG 3.41Å; R164-R168 PolarHBondContact O-N 2.83Å; R164-R168 VanDerWaalsContact O-N 3.14Å; S166-R168 PolarHBondContact O-N 3.14Å; R168-C170 VanDerWaalsContact C-N 3.32Å; R168-Q172 WeakPolarHBondContact O-CB 3.49Å; R168-Q172 PolarHBondContact O-N 3.16Å; R168-Q172 VanDerWaalsContact O-N 3.07Å; R168-P189 HydrophobicContact CG-CG 3.75Å |
| 169 | S | 93.6 | Very high | 92.9 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.5 | -39 | 177.5 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | R165 S166 Q167 Q172 L173 | R165-S169 WeakPolarHBondContact O-CB 3.23Å; R165-S169 PolarHBondContact O-N 2.89Å; R165-S169 PolarHBondContact O-OG 2.89Å; S166-S169 PolarHBondContact O-N 3.46Å; Q167-S169 VanDerWaalsContact C-N 3.35Å; Q167-S169 PolarHBondContact O-N 3.43Å; S169-Q172 PolarHBondContact O-N 3.33Å; S169-L173 WeakPolarHBondContact O-CB 3.41Å; S169-L173 VanDerWaalsContact O-CG 3.24Å; S169-L173 WeakPolarHBondContact O-CG 3.39Å; S169-L173 PolarHBondContact O-N 2.93Å |
| 170 | C | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -53.3 | 176.6 | -165.7 | 0 | 0 | 0 | 0 | 111 | S166 Q167 R168 Q172 L173 D174 I226 Y229 L230 | S166-C170 VanDerWaalsContact O-CB 3.3Å; S166-C170 WeakPolarHBondContact O-CB 3.49Å; S166-C170 PolarHBondContact O-N 2.99Å; Q167-C170 WeakPolarHBondContact O-CB 3.37Å; Q167-C170 PolarHBondContact O-N 3.13Å; R168-C170 VanDerWaalsContact C-N 3.32Å; C170-Q172 VanDerWaalsContact C-N 3.3Å; C170-Q172 PolarHBondContact O-N 3.21Å; C170-L173 PolarHBondContact O-N 3.21Å; C170-D174 VanDerWaalsContact O-CB 3.25Å; C170-D174 WeakPolarHBondContact O-CB 3.14Å; C170-D174 VanDerWaalsContact O-CG 3.26Å; C170-D174 PolarHBondContact O-N 3.44Å; C170-D174 PolarHBondContact SG-OD2 3.04Å; C170-I226 HydrophobicContact CB-CD1 3.99Å; C170-I226 HydrophobicContact CB-CG1 4.33Å; C170-Y229 VanDerWaalsContact SG-CD1 3.58Å; C170-Y229 WeakPolarHBondContact SG-CE1 3.32Å; C170-L230 HydrophobicContact CB-CD2 3.98Å; C170-L230 HydrophobicContact CB-CG 4.48Å |
| 171 | E | 93.6 | Very high | 92 | Very high | 69 Ų | 69 | 66.2 Ų | 66.2 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -54.6 | -46.2 | 176.4 | -178.6 | -176.7 | -166.6 | 0 | 0 | 111.8 | Q167 L173 N175 W188 P189 | Q167-E171 PolarHBondContact O-N 2.88Å; E171-L173 PolarHBondContact O-N 3.48Å; E171-N175 VanDerWaalsContact O-CB 3.29Å; E171-N175 WeakPolarHBondContact O-CB 3.45Å; E171-N175 PolarHBondContact O-N 3.49Å; E171-N175 PolarHBondContact O-ND2 2.97Å; E171-W188 HydrophobicContact CB-CB 4.27Å; E171-W188 HydrophobicContact CB-CD2 4.09Å; E171-W188 HydrophobicContact CB-CG 3.8Å; E171-W188 HydrophobicContact CG-CB 4.5Å; E171-W188 HydrophobicContact CG-CD2 3.94Å; E171-W188 HydrophobicContact CG-CE3 4.16Å; E171-W188 HydrophobicContact CG-CG 4.08Å; E171-P189 VanDerWaalsContact OE2-CD 3.28Å; E171-P189 WeakPolarHBondContact OE2-CD 3.31Å |
| 172 | Q | 93.1 | Very high | 91.7 | Very high | 121 Ų | 121 | 67 Ų | 67 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 179.2 | -176.3 | -179.7 | -2.3 | 0 | 0 | 112.6 | R168 S169 C170 Q176 | R168-Q172 WeakPolarHBondContact O-CB 3.49Å; R168-Q172 PolarHBondContact O-N 3.16Å; R168-Q172 VanDerWaalsContact O-N 3.07Å; S169-Q172 PolarHBondContact O-N 3.33Å; C170-Q172 VanDerWaalsContact C-N 3.3Å; C170-Q172 PolarHBondContact O-N 3.21Å; Q172-Q176 WeakPolarHBondContact O-CG 3.43Å; Q172-Q176 PolarHBondContact O-N 3.38Å |
| 173 | L | 92.6 | Very high | 91.2 | Very high | 18 Ų | 18 | 75 Ų | 75 | 9% | 0.094 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -75.9 | -34.2 | -176.8 | -70 | 169.6 | 0 | 0 | 0 | 112.5 | S169 C170 E171 Q176 R177 L230 H234 Y236 T243 | S169-L173 WeakPolarHBondContact O-CB 3.41Å; S169-L173 VanDerWaalsContact O-CG 3.24Å; S169-L173 WeakPolarHBondContact O-CG 3.39Å; S169-L173 PolarHBondContact O-N 2.93Å; C170-L173 PolarHBondContact O-N 3.21Å; E171-L173 PolarHBondContact O-N 3.48Å; L173-Q176 PolarHBondContact O-N 3.36Å; L173-R177 PolarHBondContact O-N 3.45Å; L173-L230 HydrophobicContact CD1-CD2 3.93Å; L173-H234 VanDerWaalsContact C-CE1 3.48Å; L173-H234 HydrophobicContact CB-CB 4.41Å; L173-H234 HydrophobicContact CD1-CB 3.97Å; L173-H234 PolarHBondContact O-CE1 2.89Å; L173-Y236 HydrophobicContact CD1-CD1 3.76Å; L173-Y236 HydrophobicContact CD1-CD2 4.1Å; L173-Y236 HydrophobicContact CD1-CE1 4.41Å; L173-Y236 HydrophobicContact CD1-CG 3.57Å; L173-T243 HydrophobicContact CD2-CG2 4.21Å |
| 174 | D | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 172.6 | -78.4 | -32.7 | 0 | 0 | 0 | 110.3 | C170 Q176 R177 G178 I179 W188 Y229 H234 | C170-D174 VanDerWaalsContact O-CB 3.25Å; C170-D174 WeakPolarHBondContact O-CB 3.14Å; C170-D174 VanDerWaalsContact O-CG 3.26Å; C170-D174 PolarHBondContact O-N 3.44Å; C170-D174 PolarHBondContact SG-OD2 3.04Å; D174-Q176 VanDerWaalsContact C-N 3.31Å; D174-Q176 PolarHBondContact O-N 3.04Å; D174-R177 CarbonylContact O-C 3.6Å; D174-R177 WeakPolarHBondContact O-CA 3.42Å; D174-R177 PolarHBondContact O-N 3.09Å; D174-G178 PolarHBondContact O-N 3.49Å; D174-G178 VanDerWaalsContact O-N 3.15Å; D174-I179 HydrophobicContact CB-CB 3.93Å; D174-I179 HydrophobicContact CB-CD1 4.49Å; D174-I179 HydrophobicContact CB-CG2 4.19Å; D174-I179 PolarHBondContact O-N 3.44Å; D174-I179 WeakPolarHBondContact OD1-CD1 3.39Å; D174-W188 HydrophobicContact CB-CZ2 3.69Å; D174-W188 PolarHBondContact OD2-NE1 2.86Å; D174-Y229 PolarHBondContact OD1-OH 2.94Å; D174-H234 IonicContact OD1-CE1 3.88Å; D174-H234 PolarHBondContact OD1-CE1 3.33Å; D174-H234 IonicContact OD1-NE2 2.69Å; D174-H234 PolarHBondContact OD1-NE2 3.46Å |
| 175 | N | 91.8 | Very high | 90.4 | Very high | 85 Ų | 85 | 75.5 Ų | 75.5 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 176.5 | -78.5 | -37.5 | 0 | 0 | 0 | 112.4 | E171 R177 G178 | E171-N175 VanDerWaalsContact O-CB 3.29Å; E171-N175 WeakPolarHBondContact O-CB 3.45Å; E171-N175 PolarHBondContact O-N 3.49Å; E171-N175 PolarHBondContact O-ND2 2.97Å; N175-R177 PolarHBondContact O-N 3.17Å; N175-G178 PolarHBondContact O-N 3.47Å; N175-G178 VanDerWaalsContact O-N 3.09Å |
| 176 | Q | 91.1 | Very high | 90.1 | Very high | 136 Ų | 136 | 70.9 Ų | 70.9 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.1 | -28.8 | 175.5 | -75.3 | 174.8 | 25.5 | 0 | 0 | 113.3 | Q172 L173 D174 G178 | Q172-Q176 WeakPolarHBondContact O-CG 3.43Å; Q172-Q176 PolarHBondContact O-N 3.38Å; L173-Q176 PolarHBondContact O-N 3.36Å; D174-Q176 VanDerWaalsContact C-N 3.31Å; D174-Q176 PolarHBondContact O-N 3.04Å; Q176-G178 VanDerWaalsContact C-N 3.35Å |
| 177 | R | 89.8 | Confident | 89.8 | Confident | 135 Ų | 135 | 71.6 Ų | 71.6 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 4.7 | 176.5 | -67.9 | -166.1 | 176.2 | -173.8 | 0.8 | 113.5 | L173 D174 N175 I179 V233 H234 | L173-R177 PolarHBondContact O-N 3.45Å; D174-R177 CarbonylContact O-C 3.6Å; D174-R177 WeakPolarHBondContact O-CA 3.42Å; D174-R177 PolarHBondContact O-N 3.09Å; N175-R177 PolarHBondContact O-N 3.17Å; R177-I179 VanDerWaalsContact C-N 3.29Å; R177-I179 HydrophobicContact CB-CD1 4.35Å; R177-I179 HydrophobicContact CB-CG1 4.41Å; R177-V233 PolarHBondContact NH1-O 3.03Å; R177-V233 PolarHBondContact NH2-O 2.66Å; R177-H234 PolarHBondContact NE-ND1 3.33Å |
| 178 | G | 89.1 | Confident | 89.7 | Confident | 58 Ų | 58 | 72 Ų | 72 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 20.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | D174 N175 Q176 T180 | D174-G178 PolarHBondContact O-N 3.49Å; D174-G178 VanDerWaalsContact O-N 3.15Å; N175-G178 PolarHBondContact O-N 3.47Å; N175-G178 VanDerWaalsContact O-N 3.09Å; Q176-G178 VanDerWaalsContact C-N 3.35Å; G178-T180 PolarHBondContact O-N 2.94Å |
| 179 | I | 88.6 | Confident | 89.3 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 28% | 0.282 | 35% | 0.348 | S | S | . | . | trans | -81.6 | 109 | 173 | -61.7 | 168.3 | 0 | 0 | 0 | 107.1 | D174 R177 A181 | D174-I179 HydrophobicContact CB-CB 3.93Å; D174-I179 HydrophobicContact CB-CD1 4.49Å; D174-I179 HydrophobicContact CB-CG2 4.19Å; D174-I179 PolarHBondContact O-N 3.44Å; D174-I179 WeakPolarHBondContact OD1-CD1 3.39Å; R177-I179 VanDerWaalsContact C-N 3.29Å; R177-I179 HydrophobicContact CB-CD1 4.35Å; R177-I179 HydrophobicContact CB-CG1 4.41Å; I179-A181 VanDerWaalsContact CG2-O 3.28Å; I179-A181 WeakPolarHBondContact CG2-O 3.28Å | ||
| 180 | T | 82.8 | Confident | 88.7 | Confident | 129 Ų | 129 | 73.2 Ų | 73.2 | 79% | 0.791 | 38% | 0.375 | S | S | * | . | trans | -91.9 | -4.9 | -173.2 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | G178 | G178-T180 PolarHBondContact O-N 2.94Š| ||
| 181 | A | 84.6 | Confident | 87.4 | Confident | 61 Ų | 61 | 77 Ų | 77 | 50% | 0.504 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -138.8 | 138 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I179 | I179-A181 VanDerWaalsContact CG2-O 3.28Å; I179-A181 WeakPolarHBondContact CG2-O 3.28Å |
| 182 | P | 87.8 | Confident | 85.2 | Confident | 47 Ų | 47 | 80.6 Ų | 80.6 | 31% | 0.305 | 44% | 0.435 | S | S | . | . | trans | -69 | 143.2 | 179.2 | 28.3 | -33.5 | 0 | 0 | 0 | 111 | E184 W188 | P182-E184 VanDerWaalsContact C-N 3.28Å; P182-E184 WeakPolarHBondContact CB-O 3.49Å; P182-E184 PolarHBondContact O-N 3.34Å; P182-W188 HydrophobicContact CB-CB 4.38Å; P182-W188 HydrophobicContact CB-CD2 3.74Å; P182-W188 HydrophobicContact CB-CE3 4.34Å; P182-W188 HydrophobicContact CB-CG 3.75Å; P182-W188 HydrophobicContact CG-CD2 4.11Å; P182-W188 HydrophobicContact CG-CE3 4.22Å; P182-W188 HydrophobicContact CG-CG 4.34Å | ||
| 183 | R | 84.3 | Confident | 82.7 | Confident | 183 Ų | 183 | 78.6 Ų | 78.6 | 69% | 0.691 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -62 | -36.2 | 178.5 | -177.9 | 165.1 | -178.9 | 154.2 | -1.1 | 113.1 | Y187 | R183-Y187 HydrophobicContact CB-CD1 4.09Å; R183-Y187 HydrophobicContact CB-CE1 3.99Å |
| 184 | E | 84.9 | Confident | 80.2 | Confident | 76 Ų | 76 | 85.2 Ų | 85.2 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -128.3 | 145.4 | 171.1 | -69.2 | -74 | 158.5 | 0 | 0 | 108.7 | P182 W186 Y187 | P182-E184 VanDerWaalsContact C-N 3.28Å; P182-E184 WeakPolarHBondContact CB-O 3.49Å; P182-E184 PolarHBondContact O-N 3.34Å; E184-W186 PolarHBondContact O-N 3.17Å; E184-Y187 HydrophobicContact CB-CD2 3.55Å; E184-Y187 HydrophobicContact CB-CE2 3.7Å; E184-Y187 HydrophobicContact CB-CG 4.17Å; E184-Y187 HydrophobicContact CG-CD2 4.12Å; E184-Y187 HydrophobicContact CG-CE2 3.73Å; E184-Y187 WeakPolarHBondContact O-CB 3.24Å; E184-Y187 PolarHBondContact O-N 2.78Å |
| 185 | P | 85.2 | Confident | 77.9 | Confident | 71 Ų | 71 | 92.3 Ų | 92.3 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -13.6 | -175.7 | -27 | 34.8 | 0 | 0 | 0 | 116.1 | I209 | P185-I209 HydrophobicContact CG-CD1 4.47Š|
| 186 | W | 87.9 | Confident | 75.7 | Confident | 44 Ų | 44 | 97.1 Ų | 97.1 | 17% | 0.167 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 2.4 | 179.1 | 61 | -91.1 | 0 | 0 | 0 | 113.4 | L163 Q167 E184 W188 L217 K222 I225 I226 | L163-W186 HydrophobicContact CD1-CZ3 4.26Å; Q167-W186 PolarHBondContact NE2-O 2.83Å; E184-W186 PolarHBondContact O-N 3.17Å; W186-W188 VanDerWaalsContact C-N 3.32Å; W186-L217 HydrophobicContact CZ2-CD2 4.06Å; W186-K222 HydrophobicContact CD2-CB 4.48Å; W186-K222 HydrophobicContact CD2-CD 4.21Å; W186-K222 HydrophobicContact CD2-CG 4.05Å; W186-K222 HydrophobicContact CE3-CB 3.82Å; W186-K222 HydrophobicContact CE3-CD 4.15Å; W186-K222 HydrophobicContact CE3-CG 3.89Å; W186-K222 VanDerWaalsContact CH2-CA 3.49Å; W186-K222 HydrophobicContact CH2-CB 3.85Å; W186-K222 HydrophobicContact CH2-CG 4.08Å; W186-K222 WeakPolarHBondContact CH2-O 3.36Å; W186-K222 HydrophobicContact CZ2-CB 4.45Å; W186-K222 HydrophobicContact CZ2-CG 4.18Å; W186-K222 HydrophobicContact CZ3-CB 3.49Å; W186-K222 VanDerWaalsContact CZ3-CB 3.49Å; W186-K222 HydrophobicContact CZ3-CG 3.93Å; W186-K222 WeakPolarHBondContact CZ3-O 3.24Å; W186-I225 HydrophobicContact CH2-CB 3.82Å; W186-I225 HydrophobicContact CH2-CG2 3.7Å; W186-I225 HydrophobicContact CZ2-CB 4.27Å; W186-I225 HydrophobicContact CZ2-CG2 3.88Å; W186-I226 HydrophobicContact CH2-CB 4.39Å; W186-I226 HydrophobicContact CZ3-CB 4.01Å |
| 187 | Y | 88.9 | Confident | 72.9 | Confident | 14 Ų | 14 | 100.2 Ų | 100.2 | 6% | 0.055 | 55% | 0.554 | C | S | . | * | S | Bend | trans | -69 | -31.6 | 176.3 | -90 | -150 | 0 | 0 | 0 | 112.6 | Q167 R183 E184 I225 I226 Y229 | Q167-Y187 VanDerWaalsContact CA-O 3.26Å; Q167-Y187 WeakPolarHBondContact CA-O 2.9Å; Q167-Y187 WeakPolarHBondContact CB-O 3.01Å; Q167-Y187 WeakPolarHBondContact CG-O 3.35Å; R183-Y187 HydrophobicContact CB-CD1 4.09Å; R183-Y187 HydrophobicContact CB-CE1 3.99Å; E184-Y187 HydrophobicContact CB-CD2 3.55Å; E184-Y187 HydrophobicContact CB-CE2 3.7Å; E184-Y187 HydrophobicContact CB-CG 4.17Å; E184-Y187 HydrophobicContact CG-CD2 4.12Å; E184-Y187 HydrophobicContact CG-CE2 3.73Å; E184-Y187 WeakPolarHBondContact O-CB 3.24Å; E184-Y187 PolarHBondContact O-N 2.78Å; Y187-I225 HydrophobicContact CE2-CG2 3.86Å; Y187-I225 WeakPolarHBondContact OH-CG2 3.4Å; Y187-I226 HydrophobicContact CD2-CG1 4.47Å; Y187-I226 HydrophobicContact CG-CD1 4.44Å; Y187-I226 HydrophobicContact CG-CG1 4.39Å; Y187-I226 VanDerWaalsContact O-CD1 3.28Å; Y187-I226 WeakPolarHBondContact O-CD1 3.26Å; Y187-Y229 HydrophobicContact CD1-CD1 4.04Å; Y187-Y229 HydrophobicContact CD1-CE1 4.36Å; Y187-Y229 HydrophobicContact CD1-CG 4.25Å; Y187-Y229 AromaticContact CE1-CD1 3.78Å; Y187-Y229 HydrophobicContact CE1-CD1 3.78Å; Y187-Y229 AromaticContact CE1-CD2 3.88Å; Y187-Y229 HydrophobicContact CE1-CD2 3.88Å; Y187-Y229 HydrophobicContact CE1-CE1 4.37Å; Y187-Y229 HydrophobicContact CE1-CE2 4.43Å; Y187-Y229 AromaticContact CE1-CG 3.52Å; Y187-Y229 HydrophobicContact CE1-CG 3.52Å |
| 188 | W | 91.6 | Very high | 70 | Confident | 37 Ų | 37 | 100.8 Ų | 100.8 | 14% | 0.14 | 57% | 0.568 | C | S | . | * | S | Bend | trans | -102.4 | 153.2 | 173.7 | -62.6 | -2.4 | 0 | 0 | 0 | 109.9 | E171 D174 P182 W186 K190 | E171-W188 HydrophobicContact CB-CB 4.27Å; E171-W188 HydrophobicContact CB-CD2 4.09Å; E171-W188 HydrophobicContact CB-CG 3.8Å; E171-W188 HydrophobicContact CG-CB 4.5Å; E171-W188 HydrophobicContact CG-CD2 3.94Å; E171-W188 HydrophobicContact CG-CE3 4.16Å; E171-W188 HydrophobicContact CG-CG 4.08Å; D174-W188 HydrophobicContact CB-CZ2 3.69Å; D174-W188 PolarHBondContact OD2-NE1 2.86Å; P182-W188 HydrophobicContact CB-CB 4.38Å; P182-W188 HydrophobicContact CB-CD2 3.74Å; P182-W188 HydrophobicContact CB-CE3 4.34Å; P182-W188 HydrophobicContact CB-CG 3.75Å; P182-W188 HydrophobicContact CG-CD2 4.11Å; P182-W188 HydrophobicContact CG-CE3 4.22Å; P182-W188 HydrophobicContact CG-CG 4.34Å; W186-W188 VanDerWaalsContact C-N 3.32Å; W188-K190 PolarHBondContact O-N 3.17Å |
| 189 | P | 87.1 | Confident | 67.6 | Low | 38 Ų | 38 | 103.8 Ų | 103.8 | 25% | 0.247 | 58% | 0.577 | C | S | . | * | P | Polyproline II helix | trans | -57.3 | 134.6 | 170.8 | -16.5 | 30.3 | 0 | 0 | 0 | 109.2 | Q167 R168 E171 G191 | Q167-P189 HydrophobicContact CB-CG 4.08Å; R168-P189 HydrophobicContact CG-CG 3.75Å; E171-P189 VanDerWaalsContact OE2-CD 3.28Å; E171-P189 WeakPolarHBondContact OE2-CD 3.31Å; P189-G191 PolarHBondContact O-N 3.07Å |
| 190 | K | 79.8 | Confident | 65 | Low | 161 Ų | 161 | 107.2 Ų | 107.2 | 70% | 0.7 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -68 | 126.2 | 162.4 | -64.7 | -175.3 | 177.2 | -173 | 0 | 106 | W188 D192 | W188-K190 PolarHBondContact O-N 3.17Å; K190-D192 PolarHBondContact O-N 2.85Å; K190-D192 VanDerWaalsContact O-N 3.1Å |
| 191 | G | 65.9 | Low | 63.3 | Low | 78 Ų | 78 | 110 Ų | 110 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 120.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P189 G193 | P189-G191 PolarHBondContact O-N 3.07Å; G191-G193 VanDerWaalsContact C-N 3.32Å; G191-G193 PolarHBondContact O-N 3.35Å |
| 192 | D | 47.7 | Very low | 60.9 | Low | 146 Ų | 146 | 115.4 Ų | 115.4 | 78% | 0.781 | 62% | 0.619 | S | S | * | * | trans | -71.3 | 92.6 | 167.6 | -77.8 | -56.6 | 0 | 0 | 0 | 106.7 | K190 D194 | K190-D192 PolarHBondContact O-N 2.85Å; K190-D192 VanDerWaalsContact O-N 3.1Å; D192-D194 PolarHBondContact O-N 2.86Å | ||
| 193 | G | 41.4 | Very low | 58.8 | Low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 65% | 0.646 | S | S | * | * | trans | -74.8 | 106 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | G191 | G191-G193 VanDerWaalsContact C-N 3.32Å; G191-G193 PolarHBondContact O-N 3.35Å | ||
| 194 | D | 39.6 | Very low | 56.3 | Low | 156 Ų | 156 | 120.5 Ų | 120.5 | 83% | 0.834 | 65% | 0.651 | S | S | * | * | trans | -69.4 | 151.8 | 157 | -140.4 | 2.9 | 0 | 0 | 0 | 108.4 | D192 | D192-D194 PolarHBondContact O-N 2.86Š| ||
| 195 | D | 45.9 | Very low | 54.3 | Low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -43.1 | 155.8 | -169.7 | -75.1 | -55.6 | 0 | 0 | 0 | 118.9 | ||
| 196 | E | 45.1 | Very low | 52.1 | Low | 186 Ų | 186 | 130.4 Ų | 130.4 | 87% | 0.869 | 69% | 0.692 | S | S | * | * | trans | 82.8 | 92 | 167 | -58.7 | -173.5 | 177.2 | 0 | 0 | 118.5 | ||||
| 197 | E | 33.7 | Very low | 50 | Low | 201 Ų | 201 | 136.9 Ų | 136.9 | 94% | 0.939 | 72% | 0.724 | S | S | * | * | trans | -173.6 | 146.1 | 130.4 | -101.4 | 168.1 | -162.7 | 0 | 0 | 111.2 | ||||
| 198 | D | 27.5 | Very low | 47.9 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -51.9 | 154.8 | -168.8 | -86.4 | -52.1 | 0 | 0 | 0 | 116.6 | V200 | D198-V200 PolarHBondContact O-N 2.96Š| ||
| 199 | P | 40 | Very low | 45.8 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -73.8 | 113.2 | 179.5 | 30.5 | -30.8 | 0 | 0 | 0 | 110.4 | ||||
| 200 | V | 33.6 | Very low | 43.9 | Very low | 126 Ų | 126 | 148.7 Ų | 148.7 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -95.7 | 114.9 | 164 | -162.8 | 0 | 0 | 0 | 0 | 107.5 | D198 E202 | D198-V200 PolarHBondContact O-N 2.96Å; V200-E202 PolarHBondContact O-N 3.25Å | ||
| 201 | E | 46.5 | Very low | 42.5 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -60.9 | 110.5 | 167.3 | -69 | 176.4 | 160.8 | 0 | 0 | 108.8 | ||||
| 202 | E | 35.4 | Very low | 41.6 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -120.6 | 105.4 | 154.9 | -74 | -164.4 | 166.6 | 0 | 0 | 108 | V200 D204 | V200-E202 PolarHBondContact O-N 3.25Å; E202-D204 PolarHBondContact O-N 2.76Å | ||
| 203 | E | 42.7 | Very low | 41.5 | Very low | 185 Ų | 185 | 151 Ų | 151 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -65.3 | 115.1 | 160.7 | -65 | 177.1 | 156.5 | 0 | 0 | 107.5 | ||||
| 204 | D | 31.2 | Very low | 41.9 | Very low | 152 Ų | 152 | 154.2 Ų | 154.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -153.6 | 136.5 | 152.7 | -93.3 | -35.7 | 0 | 0 | 0 | 110.9 | E202 E206 | E202-D204 PolarHBondContact O-N 2.76Å; D204-E206 PolarHBondContact O-N 3.14Å | ||
| 205 | E | 42.6 | Very low | 42.5 | Very low | 189 Ų | 189 | 151.5 Ų | 151.5 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -44.3 | 107.1 | -164.7 | -69.6 | 167.7 | 154.9 | 0 | 0 | 115.2 | E207 | E205-E207 PolarHBondContact O-N 2.94Å; E205-E207 VanDerWaalsContact O-N 3.12Å | ||
| 206 | E | 39.9 | Very low | 43.1 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -69.7 | 102.7 | 163.8 | -126 | 179.6 | 167.8 | 0 | 0 | 108.1 | D204 E208 | D204-E206 PolarHBondContact O-N 3.14Å; E206-E208 VanDerWaalsContact C-N 3.32Å; E206-E208 PolarHBondContact O-N 3.47Å | ||
| 207 | E | 43.3 | Very low | 44.6 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 73% | 0.725 | S | S | * | * | trans | -57.6 | 104.4 | 157.5 | -81.6 | -170 | 167.2 | 0 | 0 | 107 | E205 I209 | E205-E207 PolarHBondContact O-N 2.94Å; E205-E207 VanDerWaalsContact O-N 3.12Å; E207-I209 VanDerWaalsContact C-N 3.27Å; E207-I209 PolarHBondContact O-N 3.37Å | ||
| 208 | E | 45.7 | Very low | 47.1 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | trans | -65.4 | 86.2 | -177.2 | -164.5 | 177.3 | -165.4 | 0 | 0 | 109.2 | E206 P210 | E206-E208 VanDerWaalsContact C-N 3.32Å; E206-E208 PolarHBondContact O-N 3.47Å; E208-P210 VanDerWaalsContact O-CD 3.31Å; E208-P210 WeakPolarHBondContact O-CD 3.38Å; E208-P210 VanDerWaalsContact O-N 3.14Å | ||
| 209 | I | 46.5 | Very low | 50.1 | Low | 73 Ų | 73 | 135.7 Ų | 135.7 | 37% | 0.374 | 69% | 0.687 | S | S | . | * | trans | -55.3 | 118.9 | 168.1 | -59.1 | 171.1 | 0 | 0 | 0 | 105.8 | P185 E207 E211 | P185-I209 HydrophobicContact CG-CD1 4.47Å; E207-I209 VanDerWaalsContact C-N 3.27Å; E207-I209 PolarHBondContact O-N 3.37Å; I209-E211 PolarHBondContact O-N 2.97Å; I209-E211 VanDerWaalsContact O-N 3.13Å | ||
| 210 | P | 46.7 | Very low | 52.5 | Low | 88 Ų | 88 | 132.4 Ų | 132.4 | 57% | 0.571 | 67% | 0.666 | S | S | * | * | trans | -50.6 | 126.1 | -175.7 | -29.1 | 34.5 | 0 | 0 | 0 | 110.6 | E208 V212 F213 | E208-P210 VanDerWaalsContact O-CD 3.31Å; E208-P210 WeakPolarHBondContact O-CD 3.38Å; E208-P210 VanDerWaalsContact O-N 3.14Å; P210-V212 PolarHBondContact O-N 3.39Å; P210-F213 PolarHBondContact O-N 3.07Å | ||
| 211 | E | 51.8 | Low | 55.3 | Low | 170 Ų | 170 | 129.2 Ų | 129.2 | 79% | 0.794 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -53.6 | -20.1 | -175.1 | -161.5 | 163.8 | -167 | 0 | 0 | 113.1 | I209 | I209-E211 PolarHBondContact O-N 2.97Å; I209-E211 VanDerWaalsContact O-N 3.13Å |
| 212 | V | 47 | Very low | 57.4 | Low | 106 Ų | 106 | 122.6 Ų | 122.6 | 64% | 0.642 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.7 | -32.8 | 174.7 | -168.3 | 0 | 0 | 0 | 0 | 113.2 | P210 L216 | P210-V212 PolarHBondContact O-N 3.39Å; V212-L216 HydrophobicContact CG1-CD1 4.2Å; V212-L216 WeakPolarHBondContact O-CD1 3.45Å; V212-L216 WeakPolarHBondContact O-CG 3.42Å |
| 213 | F | 45.7 | Very low | 60.2 | Low | 157 Ų | 157 | 115.1 Ų | 115.1 | 69% | 0.689 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -86.1 | -33 | -175.6 | -153.1 | -98 | 0 | 0 | 0 | 112.7 | P210 S215 | P210-F213 PolarHBondContact O-N 3.07Å; F213-S215 PolarHBondContact O-N 3.33Å |
| 214 | R | 49.3 | Very low | 62.6 | Low | 146 Ų | 146 | 112.4 Ų | 112.4 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.7 | -21.6 | 179.7 | -142.2 | 176 | -141.6 | 162.5 | 3.8 | 112.9 | ||
| 215 | S | 52 | Low | 65.6 | Low | 99 Ų | 99 | 108 Ų | 108 | 69% | 0.692 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -8.1 | -170.6 | -157.9 | 0 | 0 | 0 | 0 | 115 | F213 | F213-S215 PolarHBondContact O-N 3.33Š|
| 216 | L | 58.3 | Low | 68 | Low | 123 Ų | 123 | 99 Ų | 99 | 64% | 0.644 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -96.5 | -18 | -170.5 | -78.6 | 169.9 | 0 | 0 | 0 | 115.9 | V212 | V212-L216 HydrophobicContact CG1-CD1 4.2Å; V212-L216 WeakPolarHBondContact O-CD1 3.45Å; V212-L216 WeakPolarHBondContact O-CG 3.42Å |
| 217 | L | 76.1 | Confident | 70.6 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 30% | 0.298 | 47% | 0.466 | S | S | . | . | trans | -94 | 116.3 | -169.9 | -158.3 | 68.4 | 0 | 0 | 0 | 111.9 | W186 D221 K222 I225 | W186-L217 HydrophobicContact CZ2-CD2 4.06Å; L217-D221 HydrophobicContact CD1-CB 3.39Å; L217-D221 HydrophobicContact CD2-CB 4.48Å; L217-D221 HydrophobicContact CG-CB 3.72Å; L217-K222 HydrophobicContact CB-CG 4.39Å; L217-K222 HydrophobicContact CD2-CG 3.62Å; L217-K222 HydrophobicContact CG-CG 3.97Å; L217-K222 VanDerWaalsContact O-CE 3.32Å; L217-K222 WeakPolarHBondContact O-CE 3.37Å; L217-I225 HydrophobicContact CD1-CD1 4.45Å; L217-I225 HydrophobicContact CD2-CD1 3.82Å | ||
| 218 | Q | 87 | Confident | 73 | Confident | 113 Ų | 113 | 86.3 Ų | 86.3 | 53% | 0.528 | 45% | 0.449 | S | S | . | . | trans | -68.4 | 155.3 | 179.7 | -61 | -58.8 | -64.6 | 0 | 0 | 110.6 | S220 D221 K222 | Q218-S220 PolarHBondContact O-N 3.07Å; Q218-S220 VanDerWaalsContact O-N 3.15Å; Q218-D221 PolarHBondContact N-OD2 2.76Å; Q218-D221 PolarHBondContact O-N 3.47Å; Q218-K222 PolarHBondContact O-N 3.32Å | ||
| 219 | P | 89.8 | Confident | 75.3 | Confident | 59 Ų | 59 | 79 Ų | 79 | 38% | 0.383 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -54.5 | -31.8 | 176.1 | -27.1 | 35.6 | 0 | 0 | 0 | 113.8 | I159 L163 L223 | I159-P219 HydrophobicContact CG2-CB 3.93Å; L163-P219 HydrophobicContact CD2-CB 4.49Å; P219-L223 WeakPolarHBondContact O-CB 3.4Å; P219-L223 PolarHBondContact O-N 3.2Å |
| 220 | S | 91.4 | Very high | 77.6 | Confident | 52 Ų | 52 | 75.6 Ų | 75.6 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 174.1 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | Q218 L223 Q224 | Q218-S220 PolarHBondContact O-N 3.07Å; Q218-S220 VanDerWaalsContact O-N 3.15Å; S220-L223 WeakPolarHBondContact O-CB 3.3Å; S220-L223 PolarHBondContact O-N 3.14Å; S220-Q224 PolarHBondContact O-N 3.49Å |
| 221 | D | 91.6 | Very high | 79.8 | Confident | 59 Ų | 59 | 73.3 Ų | 73.3 | 32% | 0.316 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.7 | -38.3 | -175.3 | -47.1 | -26.5 | 0 | 0 | 0 | 109.5 | L217 Q218 L223 Q224 I225 | L217-D221 HydrophobicContact CD1-CB 3.39Å; L217-D221 HydrophobicContact CD2-CB 4.48Å; L217-D221 HydrophobicContact CG-CB 3.72Å; Q218-D221 PolarHBondContact N-OD2 2.76Å; Q218-D221 PolarHBondContact O-N 3.47Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.98Å; D221-Q224 PolarHBondContact O-N 3.44Å; D221-I225 WeakPolarHBondContact O-CB 3.28Å; D221-I225 VanDerWaalsContact O-CG1 3.27Å; D221-I225 WeakPolarHBondContact O-CG1 3.42Å; D221-I225 PolarHBondContact O-N 3.47Å |
| 222 | K | 91.6 | Very high | 81.8 | Confident | 51 Ų | 51 | 67.7 Ų | 67.7 | 22% | 0.222 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 170.6 | -71.6 | 178.3 | -176.9 | 171.5 | 0 | 111.2 | L163 W186 L217 Q218 I225 I226 | L163-K222 HydrophobicContact CD1-CB 3.94Å; L163-K222 HydrophobicContact CD2-CB 3.97Å; L163-K222 HydrophobicContact CD2-CD 4.37Å; W186-K222 HydrophobicContact CD2-CB 4.48Å; W186-K222 HydrophobicContact CD2-CD 4.21Å; W186-K222 HydrophobicContact CD2-CG 4.05Å; W186-K222 HydrophobicContact CE3-CB 3.82Å; W186-K222 HydrophobicContact CE3-CD 4.15Å; W186-K222 HydrophobicContact CE3-CG 3.89Å; W186-K222 VanDerWaalsContact CH2-CA 3.49Å; W186-K222 HydrophobicContact CH2-CB 3.85Å; W186-K222 HydrophobicContact CH2-CG 4.08Å; W186-K222 WeakPolarHBondContact CH2-O 3.36Å; W186-K222 HydrophobicContact CZ2-CB 4.45Å; W186-K222 HydrophobicContact CZ2-CG 4.18Å; W186-K222 HydrophobicContact CZ3-CB 3.49Å; W186-K222 VanDerWaalsContact CZ3-CB 3.49Å; W186-K222 HydrophobicContact CZ3-CG 3.93Å; W186-K222 WeakPolarHBondContact CZ3-O 3.24Å; L217-K222 HydrophobicContact CB-CG 4.39Å; L217-K222 HydrophobicContact CD2-CG 3.62Å; L217-K222 HydrophobicContact CG-CG 3.97Å; L217-K222 VanDerWaalsContact O-CE 3.32Å; L217-K222 WeakPolarHBondContact O-CE 3.37Å; Q218-K222 PolarHBondContact O-N 3.32Å; K222-I225 PolarHBondContact O-N 3.5Å; K222-I226 WeakPolarHBondContact O-CG2 3.46Å; K222-I226 PolarHBondContact O-N 3.26Å |
| 223 | L | 94 | Very high | 83.9 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 9% | 0.089 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 178 | 178.7 | 61.7 | 0 | 0 | 0 | 111.4 | I159 D162 L163 P219 S220 D221 I225 I226 T227 | I159-L223 HydrophobicContact CG2-CB 4.39Å; I159-L223 HydrophobicContact CG2-CD2 4.11Å; D162-L223 HydrophobicContact CB-CD1 3.83Å; D162-L223 HydrophobicContact CB-CD2 3.71Å; D162-L223 HydrophobicContact CB-CG 4.46Å; L163-L223 HydrophobicContact CB-CD1 4.4Å; L163-L223 HydrophobicContact CD1-CB 4.48Å; P219-L223 WeakPolarHBondContact O-CB 3.4Å; P219-L223 PolarHBondContact O-N 3.2Å; S220-L223 WeakPolarHBondContact O-CB 3.3Å; S220-L223 PolarHBondContact O-N 3.14Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.98Å; L223-I225 VanDerWaalsContact C-N 3.35Å; L223-I225 PolarHBondContact O-N 3.26Å; L223-I226 VanDerWaalsContact O-CG2 3.32Å; L223-I226 WeakPolarHBondContact O-CG2 3.49Å; L223-I226 PolarHBondContact O-N 2.97Å; L223-T227 HydrophobicContact CD1-CG2 3.77Å; L223-T227 HydrophobicContact CG-CG2 4.28Å; L223-T227 WeakPolarHBondContact O-CB 3.28Å; L223-T227 WeakPolarHBondContact O-CG2 3.45Å; L223-T227 PolarHBondContact O-N 3.5Å; L223-T227 PolarHBondContact O-OG1 2.82Å |
| 224 | Q | 93.4 | Very high | 86.1 | Confident | 127 Ų | 127 | 57.6 Ų | 57.6 | 59% | 0.593 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 179 | -172.9 | 178.5 | -3.5 | 0 | 0 | 112.3 | S220 D221 T227 S228 | S220-Q224 PolarHBondContact O-N 3.49Å; D221-Q224 PolarHBondContact O-N 3.44Å; Q224-T227 PolarHBondContact O-OG1 2.97Å; Q224-T227 VanDerWaalsContact O-OG1 3.07Å; Q224-S228 WeakPolarHBondContact O-CB 3.39Å; Q224-S228 PolarHBondContact O-N 3.33Å |
| 225 | I | 93.4 | Very high | 88.3 | Confident | 61 Ų | 61 | 52.9 Ų | 52.9 | 31% | 0.313 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 179.9 | -71.7 | 169.5 | 0 | 0 | 0 | 110.4 | W186 Y187 L217 D221 K222 L223 T227 S228 Y229 | W186-I225 HydrophobicContact CH2-CB 3.82Å; W186-I225 HydrophobicContact CH2-CG2 3.7Å; W186-I225 HydrophobicContact CZ2-CB 4.27Å; W186-I225 HydrophobicContact CZ2-CG2 3.88Å; Y187-I225 HydrophobicContact CE2-CG2 3.86Å; Y187-I225 WeakPolarHBondContact OH-CG2 3.4Å; L217-I225 HydrophobicContact CD1-CD1 4.45Å; L217-I225 HydrophobicContact CD2-CD1 3.82Å; D221-I225 WeakPolarHBondContact O-CB 3.28Å; D221-I225 VanDerWaalsContact O-CG1 3.27Å; D221-I225 WeakPolarHBondContact O-CG1 3.42Å; D221-I225 PolarHBondContact O-N 3.47Å; K222-I225 PolarHBondContact O-N 3.5Å; L223-I225 VanDerWaalsContact C-N 3.35Å; L223-I225 PolarHBondContact O-N 3.26Å; I225-T227 PolarHBondContact O-N 2.96Å; I225-S228 PolarHBondContact O-N 3.45Å; I225-S228 PolarHBondContact O-OG 2.98Å; I225-Y229 PolarHBondContact O-N 3.48Å; I225-Y229 VanDerWaalsContact O-N 3.08Å |
| 226 | I | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69 | -35.8 | -178.6 | -162.9 | 172.3 | 0 | 0 | 0 | 112.3 | L163 Q167 C170 W186 Y187 K222 L223 S228 Y229 L230 | L163-I226 HydrophobicContact CD1-CG2 3.96Å; Q167-I226 HydrophobicContact CB-CD1 4.28Å; Q167-I226 HydrophobicContact CG-CD1 3.74Å; C170-I226 HydrophobicContact CB-CD1 3.99Å; C170-I226 HydrophobicContact CB-CG1 4.33Å; W186-I226 HydrophobicContact CH2-CB 4.39Å; W186-I226 HydrophobicContact CZ3-CB 4.01Å; Y187-I226 HydrophobicContact CD2-CG1 4.47Å; Y187-I226 HydrophobicContact CG-CD1 4.44Å; Y187-I226 HydrophobicContact CG-CG1 4.39Å; Y187-I226 VanDerWaalsContact O-CD1 3.28Å; Y187-I226 WeakPolarHBondContact O-CD1 3.26Å; K222-I226 WeakPolarHBondContact O-CG2 3.46Å; K222-I226 PolarHBondContact O-N 3.26Å; L223-I226 VanDerWaalsContact O-CG2 3.32Å; L223-I226 WeakPolarHBondContact O-CG2 3.49Å; L223-I226 PolarHBondContact O-N 2.97Å; I226-S228 VanDerWaalsContact C-N 3.33Å; I226-Y229 PolarHBondContact O-N 2.83Å; I226-L230 WeakPolarHBondContact O-CG 3.37Å; I226-L230 PolarHBondContact O-N 3.46Å |
| 227 | T | 94.4 | Very high | 92.1 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.1 | -36.2 | 176 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | L223 Q224 I225 Y229 L230 R231 V238 W239 | L223-T227 HydrophobicContact CD1-CG2 3.77Å; L223-T227 HydrophobicContact CG-CG2 4.28Å; L223-T227 WeakPolarHBondContact O-CB 3.28Å; L223-T227 WeakPolarHBondContact O-CG2 3.45Å; L223-T227 PolarHBondContact O-N 3.5Å; L223-T227 PolarHBondContact O-OG1 2.82Å; Q224-T227 PolarHBondContact O-OG1 2.97Å; Q224-T227 VanDerWaalsContact O-OG1 3.07Å; I225-T227 PolarHBondContact O-N 2.96Å; T227-Y229 VanDerWaalsContact C-N 3.33Å; T227-Y229 PolarHBondContact O-N 3.27Å; T227-L230 PolarHBondContact O-N 2.95Å; T227-R231 WeakPolarHBondContact O-CB 3.16Å; T227-R231 VanDerWaalsContact O-CG 3.24Å; T227-R231 WeakPolarHBondContact O-CG 3.38Å; T227-R231 PolarHBondContact O-N 3.46Å; T227-V238 HydrophobicContact CG2-CG1 4.15Å; T227-W239 HydrophobicContact CG2-CH2 3.49Å; T227-W239 VanDerWaalsContact CG2-CH2 3.49Å; T227-W239 HydrophobicContact CG2-CZ2 4.03Å; T227-W239 HydrophobicContact CG2-CZ3 4.18Å |
| 228 | S | 94.1 | Very high | 92.9 | Very high | 71 Ų | 71 | 42.1 Ų | 42.1 | 50% | 0.497 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.3 | -40 | 173 | 80.5 | 0 | 0 | 0 | 0 | 112.2 | Q224 I225 I226 R231 G232 | Q224-S228 WeakPolarHBondContact O-CB 3.39Å; Q224-S228 PolarHBondContact O-N 3.33Å; I225-S228 PolarHBondContact O-N 3.45Å; I225-S228 PolarHBondContact O-OG 2.98Å; I226-S228 VanDerWaalsContact C-N 3.33Å; S228-R231 PolarHBondContact O-N 3.37Å; S228-G232 PolarHBondContact O-N 3.22Å |
| 229 | Y | 94.6 | Very high | 93.2 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 9% | 0.086 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -48.8 | 175 | 174.8 | -99.7 | 0 | 0 | 0 | 111.9 | C170 D174 Y187 I225 I226 T227 R231 G232 V233 H234 | C170-Y229 VanDerWaalsContact SG-CD1 3.58Å; C170-Y229 WeakPolarHBondContact SG-CE1 3.32Å; D174-Y229 PolarHBondContact OD1-OH 2.94Å; Y187-Y229 HydrophobicContact CD1-CD1 4.04Å; Y187-Y229 HydrophobicContact CD1-CE1 4.36Å; Y187-Y229 HydrophobicContact CD1-CG 4.25Å; Y187-Y229 AromaticContact CE1-CD1 3.78Å; Y187-Y229 HydrophobicContact CE1-CD1 3.78Å; Y187-Y229 AromaticContact CE1-CD2 3.88Å; Y187-Y229 HydrophobicContact CE1-CD2 3.88Å; Y187-Y229 HydrophobicContact CE1-CE1 4.37Å; Y187-Y229 HydrophobicContact CE1-CE2 4.43Å; Y187-Y229 AromaticContact CE1-CG 3.52Å; Y187-Y229 HydrophobicContact CE1-CG 3.52Å; I225-Y229 PolarHBondContact O-N 3.48Å; I225-Y229 VanDerWaalsContact O-N 3.08Å; I226-Y229 PolarHBondContact O-N 2.83Å; T227-Y229 VanDerWaalsContact C-N 3.33Å; T227-Y229 PolarHBondContact O-N 3.27Å; Y229-R231 VanDerWaalsContact C-N 3.27Å; Y229-R231 PolarHBondContact O-N 3.06Å; Y229-G232 PolarHBondContact O-N 3.11Å; Y229-V233 HydrophobicContact CD2-CB 4.28Å; Y229-V233 HydrophobicContact CD2-CG2 3.63Å; Y229-V233 HydrophobicContact CE2-CB 3.99Å; Y229-V233 HydrophobicContact CE2-CG1 4.27Å; Y229-V233 HydrophobicContact CE2-CG2 3.49Å; Y229-V233 VanDerWaalsContact CE2-CG2 3.49Å; Y229-V233 HydrophobicContact CG-CG2 4.44Å; Y229-V233 WeakPolarHBondContact O-CB 3.41Å; Y229-V233 PolarHBondContact O-N 3.12Å; Y229-H234 AromaticContact CE1-CD2 3.76Å; Y229-H234 AromaticContact CE1-NE2 3.55Å; Y229-H234 AromaticContact CZ-NE2 3.82Å |
| 230 | L | 93.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.6 | -40.7 | 177.3 | -76.4 | 173.4 | 0 | 0 | 0 | 112.3 | C170 L173 I226 T227 H234 F235 Y236 | C170-L230 HydrophobicContact CB-CD2 3.98Å; C170-L230 HydrophobicContact CB-CG 4.48Å; L173-L230 HydrophobicContact CD1-CD2 3.93Å; I226-L230 WeakPolarHBondContact O-CG 3.37Å; I226-L230 PolarHBondContact O-N 3.46Å; T227-L230 PolarHBondContact O-N 2.95Å; L230-H234 CarbonylContact O-C 3.48Å; L230-H234 WeakPolarHBondContact O-CA 3.38Å; L230-H234 WeakPolarHBondContact O-CB 3.37Å; L230-H234 PolarHBondContact O-N 2.85Å; L230-H234 VanDerWaalsContact O-N 3.12Å; L230-F235 PolarHBondContact O-N 3.08Å; L230-F235 VanDerWaalsContact O-N 3.11Å; L230-Y236 CarbonylContact C-O 3.59Å; L230-Y236 HydrophobicContact CB-CD1 4.33Å; L230-Y236 HydrophobicContact CD1-CD1 4.19Å; L230-Y236 HydrophobicContact CD2-CD1 4.11Å; L230-Y236 HydrophobicContact CG-CD1 4.46Å; L230-Y236 PolarHBondContact O-N 2.67Å |
| 231 | R | 94.1 | Very high | 93.4 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.6 | -41.7 | 179.1 | -72 | 178 | 74.3 | 86 | 0.2 | 112.9 | T227 S228 Y229 F235 Y236 L250 C254 G256 | T227-R231 WeakPolarHBondContact O-CB 3.16Å; T227-R231 VanDerWaalsContact O-CG 3.24Å; T227-R231 WeakPolarHBondContact O-CG 3.38Å; T227-R231 PolarHBondContact O-N 3.46Å; S228-R231 PolarHBondContact O-N 3.37Å; Y229-R231 VanDerWaalsContact C-N 3.27Å; Y229-R231 PolarHBondContact O-N 3.06Å; R231-F235 VanDerWaalsContact O-CA 3.28Å; R231-F235 WeakPolarHBondContact O-CA 3.44Å; R231-F235 WeakPolarHBondContact O-CD1 3.17Å; R231-F235 PolarHBondContact O-N 3.02Å; R231-Y236 WeakPolarHBondContact CG-O 3.27Å; R231-L250 HydrophobicContact CB-CD2 3.89Å; R231-L250 HydrophobicContact CG-CD2 4.25Å; R231-L250 WeakPolarHBondContact O-CD2 3.46Å; R231-C254 PolarHBondContact NH1-SG 3.22Å; R231-G256 PolarHBondContact NH1-O 3.15Å |
| 232 | G | 91.9 | Very high | 93.4 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -80.8 | -37.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | S228 Y229 | S228-G232 PolarHBondContact O-N 3.22Å; Y229-G232 PolarHBondContact O-N 3.11Å |
| 233 | V | 92.4 | Very high | 93.5 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 28% | 0.279 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -92.3 | -51.6 | -177.9 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | R177 Y229 | R177-V233 PolarHBondContact NH1-O 3.03Å; R177-V233 PolarHBondContact NH2-O 2.66Å; Y229-V233 HydrophobicContact CD2-CB 4.28Å; Y229-V233 HydrophobicContact CD2-CG2 3.63Å; Y229-V233 HydrophobicContact CE2-CB 3.99Å; Y229-V233 HydrophobicContact CE2-CG1 4.27Å; Y229-V233 HydrophobicContact CE2-CG2 3.49Å; Y229-V233 VanDerWaalsContact CE2-CG2 3.49Å; Y229-V233 HydrophobicContact CG-CG2 4.44Å; Y229-V233 WeakPolarHBondContact O-CB 3.41Å; Y229-V233 PolarHBondContact O-N 3.12Å |
| 234 | H | 91.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -95.5 | -2.1 | -173 | -61.6 | -81.4 | 0 | 0 | 0 | 114.4 | L173 D174 R177 Y229 L230 Y236 | L173-H234 VanDerWaalsContact C-CE1 3.48Å; L173-H234 HydrophobicContact CB-CB 4.41Å; L173-H234 HydrophobicContact CD1-CB 3.97Å; L173-H234 PolarHBondContact O-CE1 2.89Å; D174-H234 IonicContact OD1-CE1 3.88Å; D174-H234 PolarHBondContact OD1-CE1 3.33Å; D174-H234 IonicContact OD1-NE2 2.69Å; D174-H234 PolarHBondContact OD1-NE2 3.46Å; R177-H234 PolarHBondContact NE-ND1 3.33Å; Y229-H234 AromaticContact CE1-CD2 3.76Å; Y229-H234 AromaticContact CE1-NE2 3.55Å; Y229-H234 AromaticContact CZ-NE2 3.82Å; L230-H234 CarbonylContact O-C 3.48Å; L230-H234 WeakPolarHBondContact O-CA 3.38Å; L230-H234 WeakPolarHBondContact O-CB 3.37Å; L230-H234 PolarHBondContact O-N 2.85Å; L230-H234 VanDerWaalsContact O-N 3.12Å; H234-Y236 PolarHBondContact O-N 3.31Å; H234-Y236 VanDerWaalsContact O-N 3.14Å |
| 235 | F | 94.3 | Very high | 93.3 | Very high | 46 Ų | 46 | 41 Ų | 41 | 20% | 0.202 | 24% | 0.244 | C | C | . | . | trans | 45.4 | 42 | -170.3 | -54.3 | -60.8 | 0 | 0 | 0 | 111.1 | L230 R231 T243 Y244 E247 | L230-F235 PolarHBondContact O-N 3.08Å; L230-F235 VanDerWaalsContact O-N 3.11Å; R231-F235 VanDerWaalsContact O-CA 3.28Å; R231-F235 WeakPolarHBondContact O-CA 3.44Å; R231-F235 WeakPolarHBondContact O-CD1 3.17Å; R231-F235 PolarHBondContact O-N 3.02Å; F235-T243 CarbonylContact O-C 3.37Å; F235-T243 WeakPolarHBondContact O-CA 3.25Å; F235-Y244 WeakPolarHBondContact CB-O 3.32Å; F235-Y244 VanDerWaalsContact O-CD2 3.3Å; F235-Y244 WeakPolarHBondContact O-CD2 3.47Å; F235-Y244 PolarHBondContact O-N 3.32Å; F235-E247 HydrophobicContact CE1-CB 3.91Å | ||
| 236 | Y | 94.7 | Very high | 93.3 | Very high | 34 Ų | 34 | 43 Ų | 43 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136.7 | -175.7 | 177.3 | -105.3 | 0 | 0 | 0 | 110.6 | L173 L230 R231 H234 V238 T242 T243 | L173-Y236 HydrophobicContact CD1-CD1 3.76Å; L173-Y236 HydrophobicContact CD1-CD2 4.1Å; L173-Y236 HydrophobicContact CD1-CE1 4.41Å; L173-Y236 HydrophobicContact CD1-CG 3.57Å; L230-Y236 CarbonylContact C-O 3.59Å; L230-Y236 HydrophobicContact CB-CD1 4.33Å; L230-Y236 HydrophobicContact CD1-CD1 4.19Å; L230-Y236 HydrophobicContact CD2-CD1 4.11Å; L230-Y236 HydrophobicContact CG-CD1 4.46Å; L230-Y236 PolarHBondContact O-N 2.67Å; R231-Y236 WeakPolarHBondContact CG-O 3.27Å; H234-Y236 PolarHBondContact O-N 3.31Å; H234-Y236 VanDerWaalsContact O-N 3.14Å; Y236-V238 HydrophobicContact CE1-CB 4.18Å; Y236-T242 VanDerWaalsContact CD2-O 3.23Å; Y236-T242 WeakPolarHBondContact CD2-O 3.49Å; Y236-T243 HydrophobicContact CD2-CG2 3.68Å; Y236-T243 HydrophobicContact CG-CG2 4.37Å |
| 237 | C | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.7 | 172 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | W239 C240 G241 T242 Y244 L250 C254 | C237-W239 VanDerWaalsContact C-N 3.26Å; C237-W239 PolarHBondContact O-N 3.02Å; C237-C240 HydrophobicContact CB-CB 3.96Å; C237-C240 PolarHBondContact O-N 3.36Å; C237-G241 PolarHBondContact O-N 3.4Å; C237-T242 PolarHBondContact N-O 3.09Å; C237-T242 VanDerWaalsContact N-O 3.16Å; C237-Y244 HydrophobicContact CB-CE2 3.96Å; C237-L250 HydrophobicContact CB-CD1 4.45Å; C237-C254 PolarHBondContact SG-SG 2.94Å |
| 238 | V | 93.7 | Very high | 93 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 12% | 0.121 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -27.1 | -179.1 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | R165 T227 Y236 | R165-V238 HydrophobicContact CB-CG2 4.22Å; T227-V238 HydrophobicContact CG2-CG1 4.15Å; Y236-V238 HydrophobicContact CE1-CB 4.18Å |
| 239 | W | 94.4 | Very high | 92.9 | Very high | 50 Ų | 50 | 56 Ų | 56 | 19% | 0.189 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -33.7 | -179.8 | -56.2 | -75.8 | 0 | 0 | 0 | 112.9 | D162 T227 C237 D257 A259 H262 | D162-W239 PolarHBondContact OD2-NE1 2.96Å; T227-W239 HydrophobicContact CG2-CH2 3.49Å; T227-W239 VanDerWaalsContact CG2-CH2 3.49Å; T227-W239 HydrophobicContact CG2-CZ2 4.03Å; T227-W239 HydrophobicContact CG2-CZ3 4.18Å; C237-W239 VanDerWaalsContact C-N 3.26Å; C237-W239 PolarHBondContact O-N 3.02Å; W239-D257 WeakPolarHBondContact CH2-O 3.28Å; W239-D257 WeakPolarHBondContact CZ3-O 3.29Å; W239-A259 HydrophobicContact CZ2-CB 4.37Å; W239-A259 VanDerWaalsContact NE1-CB 3.29Å; W239-H262 HydrophobicContact CB-CB 3.92Å; W239-H262 AromaticContact CE3-CE1 3.84Å |
| 240 | C | 92.8 | Very high | 92.8 | Very high | 45 Ų | 45 | 55.5 Ų | 55.5 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -29.1 | 171.1 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | C237 T242 Y244 H262 | C237-C240 HydrophobicContact CB-CB 3.96Å; C237-C240 PolarHBondContact O-N 3.36Å; C240-T242 VanDerWaalsContact C-N 3.34Å; C240-Y244 PolarHBondContact SG-OH 3.1Å; C240-Y244 VanDerWaalsContact SG-OH 3.38Å; C240-H262 VanDerWaalsContact SG-CD2 3.56Å; C240-H262 PolarHBondContact SG-NE2 2.95Å; C240-H262 VanDerWaalsContact SG-NE2 3.43Å |
| 241 | G | 91.1 | Very high | 92.6 | Very high | 48 Ų | 48 | 59 Ų | 59 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 24.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C237 | C237-G241 PolarHBondContact O-N 3.4Š|
| 242 | T | 92.3 | Very high | 92.6 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 40% | 0.399 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 149.1 | -174.9 | 63.2 | 0 | 0 | 0 | 0 | 112 | Y236 C237 C240 | Y236-T242 VanDerWaalsContact CD2-O 3.23Å; Y236-T242 WeakPolarHBondContact CD2-O 3.49Å; C237-T242 PolarHBondContact N-O 3.09Å; C237-T242 VanDerWaalsContact N-O 3.16Å; C240-T242 VanDerWaalsContact C-N 3.34Å |
| 243 | T | 93.2 | Very high | 92.5 | Very high | 88 Ų | 88 | 63.8 Ų | 63.8 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 144.6 | 167 | 54.4 | 0 | 0 | 0 | 0 | 109.9 | L173 F235 Y236 | L173-T243 HydrophobicContact CD2-CG2 4.21Å; F235-T243 CarbonylContact O-C 3.37Å; F235-T243 WeakPolarHBondContact O-CA 3.25Å; Y236-T243 HydrophobicContact CD2-CG2 3.68Å; Y236-T243 HydrophobicContact CG-CG2 4.37Å |
| 244 | Y | 93.8 | Very high | 92.6 | Very high | 30 Ų | 30 | 62.1 Ų | 62.1 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | trans | -109.4 | 163.5 | 177.3 | -60.6 | -93.5 | 0 | 0 | 0 | 109.8 | F235 C237 C240 L250 N253 C254 | F235-Y244 WeakPolarHBondContact CB-O 3.32Å; F235-Y244 VanDerWaalsContact O-CD2 3.3Å; F235-Y244 WeakPolarHBondContact O-CD2 3.47Å; F235-Y244 PolarHBondContact O-N 3.32Å; C237-Y244 HydrophobicContact CB-CE2 3.96Å; C240-Y244 PolarHBondContact SG-OH 3.1Å; C240-Y244 VanDerWaalsContact SG-OH 3.38Å; Y244-L250 HydrophobicContact CD2-CB 4.25Å; Y244-L250 HydrophobicContact CD2-CD1 3.18Å; Y244-L250 HydrophobicContact CD2-CG 4.3Å; Y244-L250 HydrophobicContact CE2-CD1 3.35Å; Y244-L250 HydrophobicContact CG-CB 4.08Å; Y244-L250 HydrophobicContact CG-CD1 3.88Å; Y244-N253 HydrophobicContact CD1-CB 4.22Å; Y244-N253 HydrophobicContact CE1-CB 3.65Å; Y244-C254 HydrophobicContact CE2-CB 4.43Å | ||
| 245 | N | 90.4 | Very high | 92.6 | Very high | 128 Ų | 128 | 66 Ų | 66 | 68% | 0.684 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -77 | -44.5 | -175.3 | -59.7 | -68.9 | 0 | 0 | 0 | 111.8 | D249 | N245-D249 PolarHBondContact N-OD2 2.93Å; N245-D249 PolarHBondContact ND2-OD2 3.15Å |
| 246 | D | 92 | Very high | 92.4 | Very high | 104 Ų | 104 | 64.5 Ų | 64.5 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -148 | 172.6 | -175.5 | -64.1 | -65 | 0 | 0 | 0 | 110.9 | E248 D249 L250 | D246-E248 VanDerWaalsContact C-N 3.31Å; D246-E248 PolarHBondContact O-N 3.34Å; D246-D249 WeakPolarHBondContact O-CB 3.2Å; D246-D249 PolarHBondContact O-N 3.43Å; D246-D249 VanDerWaalsContact O-N 3.17Å; D246-L250 PolarHBondContact O-N 3Å |
| 247 | E | 91.3 | Very high | 92.1 | Very high | 147 Ų | 147 | 67 Ų | 67 | 69% | 0.687 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59 | -38.1 | -179.2 | -169.7 | 173.4 | -172.2 | 0 | 0 | 113.1 | F235 L250 A251 | F235-E247 HydrophobicContact CE1-CB 3.91Å; E247-L250 PolarHBondContact O-N 2.82Å; E247-A251 WeakPolarHBondContact O-CB 3.42Å; E247-A251 PolarHBondContact O-N 2.83Å |
| 248 | E | 91.3 | Very high | 91.8 | Very high | 166 Ų | 166 | 69.9 Ų | 69.9 | 78% | 0.776 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.7 | -36.5 | 177.9 | -62.8 | -175.5 | 177.5 | 0 | 0 | 112.3 | D246 A251 S252 | D246-E248 VanDerWaalsContact C-N 3.31Å; D246-E248 PolarHBondContact O-N 3.34Å; E248-A251 PolarHBondContact O-N 3.18Å; E248-S252 WeakPolarHBondContact O-CB 3.43Å; E248-S252 PolarHBondContact O-N 3.32Å; E248-S252 VanDerWaalsContact O-N 3.09Å; E248-S252 PolarHBondContact O-OG 3.27Å |
| 249 | D | 92.1 | Very high | 91.6 | Very high | 39 Ų | 39 | 70.4 Ų | 70.4 | 21% | 0.209 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 176.8 | -173.3 | 23.4 | 0 | 0 | 0 | 110.3 | N245 D246 A251 S252 N253 | N245-D249 PolarHBondContact N-OD2 2.93Å; N245-D249 PolarHBondContact ND2-OD2 3.15Å; D246-D249 WeakPolarHBondContact O-CB 3.2Å; D246-D249 PolarHBondContact O-N 3.43Å; D246-D249 VanDerWaalsContact O-N 3.17Å; D249-A251 PolarHBondContact O-N 3.03Å; D249-S252 PolarHBondContact O-N 2.92Å; D249-S252 PolarHBondContact O-OG 3.38Å; D249-N253 WeakPolarHBondContact O-CB 3.28Å; D249-N253 PolarHBondContact O-N 3.46Å; D249-N253 PolarHBondContact OD1-ND2 2.96Å |
| 250 | L | 91.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 71.2 Ų | 71.2 | 5% | 0.052 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 174.1 | 179.5 | 69.6 | 0 | 0 | 0 | 112.1 | R231 C237 Y244 D246 E247 S252 C254 | R231-L250 HydrophobicContact CB-CD2 3.89Å; R231-L250 HydrophobicContact CG-CD2 4.25Å; R231-L250 WeakPolarHBondContact O-CD2 3.46Å; C237-L250 HydrophobicContact CB-CD1 4.45Å; Y244-L250 HydrophobicContact CD2-CB 4.25Å; Y244-L250 HydrophobicContact CD2-CD1 3.18Å; Y244-L250 HydrophobicContact CD2-CG 4.3Å; Y244-L250 HydrophobicContact CE2-CD1 3.35Å; Y244-L250 HydrophobicContact CG-CB 4.08Å; Y244-L250 HydrophobicContact CG-CD1 3.88Å; D246-L250 PolarHBondContact O-N 3Å; E247-L250 PolarHBondContact O-N 2.82Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 2.78Å; L250-C254 HydrophobicContact CD1-CB 3.96Å; L250-C254 WeakPolarHBondContact O-CB 3.22Å; L250-C254 PolarHBondContact O-N 2.65Å |
| 251 | A | 90.8 | Very high | 91.3 | Very high | 76 Ų | 76 | 72.5 Ų | 72.5 | 63% | 0.628 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -70.2 | -29.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E247 E248 D249 | E247-A251 WeakPolarHBondContact O-CB 3.42Å; E247-A251 PolarHBondContact O-N 2.83Å; E248-A251 PolarHBondContact O-N 3.18Å; D249-A251 PolarHBondContact O-N 3.03Å |
| 252 | S | 92.9 | Very high | 91.2 | Very high | 88 Ų | 88 | 72.6 Ų | 72.6 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -86.8 | -31.7 | -179.3 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | E248 D249 L250 | E248-S252 WeakPolarHBondContact O-CB 3.43Å; E248-S252 PolarHBondContact O-N 3.32Å; E248-S252 VanDerWaalsContact O-N 3.09Å; E248-S252 PolarHBondContact O-OG 3.27Å; D249-S252 PolarHBondContact O-N 2.92Å; D249-S252 PolarHBondContact O-OG 3.38Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 2.78Å |
| 253 | N | 90.8 | Very high | 90.5 | Very high | 103 Ų | 103 | 79 Ų | 79 | 55% | 0.551 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -105.8 | -16.3 | -172.9 | -68.8 | -42.8 | 0 | 0 | 0 | 114.6 | Y244 D249 | Y244-N253 HydrophobicContact CD1-CB 4.22Å; Y244-N253 HydrophobicContact CE1-CB 3.65Å; D249-N253 WeakPolarHBondContact O-CB 3.28Å; D249-N253 PolarHBondContact O-N 3.46Å; D249-N253 PolarHBondContact OD1-ND2 2.96Å |
| 254 | C | 93.8 | Very high | 90.4 | Very high | 12 Ų | 12 | 78.5 Ų | 78.5 | 8% | 0.081 | 44% | 0.443 | C | S | . | . | trans | -95.2 | 127.9 | 177.7 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | R231 C237 Y244 L250 G256 H262 | R231-C254 PolarHBondContact NH1-SG 3.22Å; C237-C254 PolarHBondContact SG-SG 2.94Å; Y244-C254 HydrophobicContact CE2-CB 4.43Å; L250-C254 HydrophobicContact CD1-CB 3.96Å; L250-C254 WeakPolarHBondContact O-CB 3.22Å; L250-C254 PolarHBondContact O-N 2.65Å; C254-G256 VanDerWaalsContact C-N 3.31Å; C254-G256 PolarHBondContact O-N 3.37Å; C254-G256 PolarHBondContact SG-O 3.03Å; C254-H262 PolarHBondContact SG-NE2 3.44Å | ||
| 255 | P | 92.4 | Very high | 90.2 | Very high | 87 Ų | 87 | 81.1 Ų | 81.1 | 57% | 0.565 | 46% | 0.46 | S | S | * | . | trans | -58.5 | -33.3 | -179.3 | -28.2 | 34.9 | 0 | 0 | 0 | 115.8 | D261 | P255-D261 HydrophobicContact CB-CB 4.44Å; P255-D261 WeakPolarHBondContact CB-O 3.33Å | ||
| 256 | G | 89.4 | Confident | 90.2 | Very high | 14 Ų | 14 | 78.4 Ų | 78.4 | 14% | 0.144 | 45% | 0.447 | C | S | . | . | trans | -178.6 | -165 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R231 C254 H262 | R231-G256 PolarHBondContact NH1-O 3.15Å; C254-G256 VanDerWaalsContact C-N 3.31Å; C254-G256 PolarHBondContact O-N 3.37Å; C254-G256 PolarHBondContact SG-O 3.03Å; G256-H262 PolarHBondContact O-CE1 2.76Å | ||
| 257 | D | 88.3 | Confident | 90.1 | Very high | 87 Ų | 87 | 76.9 Ų | 76.9 | 47% | 0.465 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -114.4 | 6.2 | -179.6 | 71 | -22.9 | 0 | 0 | 0 | 113 | W239 D261 | W239-D257 WeakPolarHBondContact CH2-O 3.28Å; W239-D257 WeakPolarHBondContact CZ3-O 3.29Å; D257-D261 PolarHBondContact N-OD2 3.31Å |
| 258 | T | 90.1 | Very high | 90 | Very high | 61 Ų | 61 | 72.6 Ų | 72.6 | 37% | 0.374 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -121.6 | 160.6 | 174.2 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | A260 D261 H262 | T258-A260 PolarHBondContact O-N 2.86Å; T258-D261 WeakPolarHBondContact CB-OD2 3.31Å; T258-D261 PolarHBondContact N-OD2 2.85Å; T258-D261 PolarHBondContact O-N 3.37Å; T258-D261 VanDerWaalsContact OG1-CG 3.25Å; T258-D261 PolarHBondContact OG1-OD2 2.85Å; T258-H262 PolarHBondContact O-CE1 3.21Å; T258-H262 PolarHBondContact O-ND1 2.89Å |
| 259 | A | 89.3 | Confident | 90 | Very high | 31 Ų | 31 | 66.3 Ų | 66.3 | 26% | 0.256 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -58.3 | -34.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W239 D261 H262 E263 | W239-A259 HydrophobicContact CZ2-CB 4.37Å; W239-A259 VanDerWaalsContact NE1-CB 3.29Å; A259-D261 VanDerWaalsContact C-N 3.29Å; A259-D261 PolarHBondContact O-N 3.4Å; A259-H262 PolarHBondContact O-N 3.13Å; A259-E263 PolarHBondContact O-N 3.23Å |
| 260 | A | 89.6 | Confident | 89.8 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 55% | 0.554 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -68 | -27.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | T258 H262 | T258-A260 PolarHBondContact O-N 2.86Å; A260-H262 PolarHBondContact O-N 3.24Å |
| 261 | D | 90.7 | Very high | 89.7 | Confident | 71 Ų | 71 | 72.8 Ų | 72.8 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -71.6 | -10.1 | 177.7 | -53.4 | -48.9 | 0 | 0 | 0 | 112.6 | P255 D257 T258 A259 | P255-D261 HydrophobicContact CB-CB 4.44Å; P255-D261 WeakPolarHBondContact CB-O 3.33Å; D257-D261 PolarHBondContact N-OD2 3.31Å; T258-D261 WeakPolarHBondContact CB-OD2 3.31Å; T258-D261 PolarHBondContact N-OD2 2.85Å; T258-D261 PolarHBondContact O-N 3.37Å; T258-D261 VanDerWaalsContact OG1-CG 3.25Å; T258-D261 PolarHBondContact OG1-OD2 2.85Å; A259-D261 VanDerWaalsContact C-N 3.29Å; A259-D261 PolarHBondContact O-N 3.4Å |
| 262 | H | 88.4 | Confident | 89.6 | Confident | 51 Ų | 51 | 72.5 Ų | 72.5 | 24% | 0.236 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -119.6 | 6.6 | -175.3 | -55.1 | 81 | 0 | 0 | 0 | 113.1 | W239 C240 C254 G256 T258 A259 A260 | W239-H262 HydrophobicContact CB-CB 3.92Å; W239-H262 AromaticContact CE3-CE1 3.84Å; C240-H262 VanDerWaalsContact SG-CD2 3.56Å; C240-H262 PolarHBondContact SG-NE2 2.95Å; C240-H262 VanDerWaalsContact SG-NE2 3.43Å; C254-H262 PolarHBondContact SG-NE2 3.44Å; G256-H262 PolarHBondContact O-CE1 2.76Å; T258-H262 PolarHBondContact O-CE1 3.21Å; T258-H262 PolarHBondContact O-ND1 2.89Å; A259-H262 PolarHBondContact O-N 3.13Å; A260-H262 PolarHBondContact O-N 3.24Å |
| 263 | E | 79.3 | Confident | 89.3 | Confident | 198 Ų | 198 | 71.1 Ų | 71.1 | 93% | 0.925 | 41% | 0.412 | S | S | * | . | trans | -87.6 | 0 | 170 | -73.4 | -169.4 | 162.5 | 0 | 0 | 111.3 | K158 A259 | K158-E263 IonicContact NZ-OE1 2.76Å; K158-E263 PolarHBondContact NZ-OE1 3.12Å; A259-E263 PolarHBondContact O-N 3.23Å |
Retrieved 263 of 263 residues in 149.8 ms
(Link to these results)