| 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 | R | 34.9 | Very low | 33.2 | Very low | 282 Ų | 282 | 155.5 Ų | 155.5 | 100% | 1.064 | 85% | 0.845 | S | S | * | * | 0 | 58.8 | 0 | -66.1 | -170.1 | -177.7 | -178.3 | 1.8 | 107.1 | |||||
| 2 | D | 33.4 | Very low | 32.8 | Very low | 151 Ų | 151 | 158.3 Ų | 158.3 | 81% | 0.807 | 85% | 0.852 | S | S | * | * | 71.5 | 96.5 | 73.5 | -63.8 | -58.2 | 0 | 0 | 0 | 111.4 | |||||
| 3 | V | 33.8 | Very low | 32.6 | Very low | 129 Ų | 129 | 164 Ų | 164 | 78% | 0.782 | 85% | 0.854 | S | S | * | * | trans | -170.7 | 127.9 | 153.8 | -160.8 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 4 | D | 31.2 | Very low | 32.2 | Very low | 144 Ų | 144 | 160.4 Ų | 160.4 | 77% | 0.77 | 85% | 0.85 | S | S | * | * | cis | -158 | 146.8 | 2.4 | -111.2 | -25.3 | 0 | 0 | 0 | 110 | ||||
| 5 | L | 35 | Very low | 32.2 | Very low | 169 Ų | 169 | 161.1 Ų | 161.1 | 89% | 0.885 | 85% | 0.853 | S | S | * | * | trans | -77.9 | 127.1 | 166.6 | -77.2 | 138.3 | 0 | 0 | 0 | 109.7 | ||||
| 6 | T | 35.6 | Very low | 31.9 | Very low | 133 Ų | 133 | 155.4 Ų | 155.4 | 82% | 0.816 | 85% | 0.845 | S | S | * | * | trans | -115 | 99.4 | 162.1 | 44.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 7 | A | 32.6 | Very low | 31.9 | Very low | 103 Ų | 103 | 153.9 Ų | 153.9 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | trans | -73.9 | 122.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 8 | S | 32.5 | Very low | 31.8 | Very low | 115 Ų | 115 | 158.3 Ų | 158.3 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | -113.9 | 109.5 | 167.3 | -70.4 | 0 | 0 | 0 | 0 | 109.5 | V10 | S8-V10 PolarHBondContact O-N 3.43Š| ||
| 9 | S | 32.3 | Very low | 31.8 | Very low | 118 Ų | 118 | 158.9 Ų | 158.9 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | -64.4 | 117.1 | 178.5 | 140.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 10 | V | 35.1 | Very low | 31.7 | Very low | 135 Ų | 135 | 157.4 Ų | 157.4 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -117.9 | 113 | 164.5 | -180 | 0 | 0 | 0 | 0 | 109.4 | S8 M12 | S8-V10 PolarHBondContact O-N 3.43Å; V10-M12 PolarHBondContact O-N 3.28Å | ||
| 11 | R | 28.9 | Very low | 31.8 | Very low | 231 Ų | 231 | 157.2 Ų | 157.2 | 87% | 0.872 | 84% | 0.838 | S | S | * | * | trans | -50.6 | 114.9 | 173.7 | -86.5 | 171.2 | 160.7 | 162.6 | -6.3 | 112 | ||||
| 12 | M | 28.3 | Very low | 31.4 | Very low | 189 Ų | 189 | 147 Ų | 147 | 93% | 0.931 | 82% | 0.821 | S | S | * | * | trans | -74.2 | 122 | 157 | -79.5 | -138.6 | -156.2 | 0 | 0 | 109.9 | V10 S14 | V10-M12 PolarHBondContact O-N 3.28Å; M12-S14 PolarHBondContact O-N 3.45Å | ||
| 13 | R | 29.8 | Very low | 31.5 | Very low | 233 Ų | 233 | 148.9 Ų | 148.9 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -83.7 | 101.6 | 164.9 | -69.5 | -179 | -168.7 | 179.8 | 3.5 | 108.3 | L15 | R13-L15 PolarHBondContact O-N 3.26Š| ||
| 14 | S | 27.6 | Very low | 31.5 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -74 | 102.8 | 165.2 | 56 | 0 | 0 | 0 | 0 | 109.3 | M12 G16 | M12-S14 PolarHBondContact O-N 3.45Å; S14-G16 PolarHBondContact O-N 3.13Å; S14-G16 VanDerWaalsContact O-N 3.13Å | ||
| 15 | L | 32.4 | Very low | 31.7 | Very low | 170 Ų | 170 | 148.2 Ų | 148.2 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | trans | -72.8 | 98.7 | 167.6 | -81.3 | 158.3 | 0 | 0 | 0 | 108.1 | R13 T17 | R13-L15 PolarHBondContact O-N 3.26Å; L15-T17 PolarHBondContact O-N 2.89Å | ||
| 16 | G | 27.7 | Very low | 32.1 | Very low | 70 Ų | 70 | 146.1 Ų | 146.1 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -63.1 | 120.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S14 R18 | S14-G16 PolarHBondContact O-N 3.13Å; S14-G16 VanDerWaalsContact O-N 3.13Å; G16-R18 PolarHBondContact O-N 3.37Å; G16-R18 VanDerWaalsContact O-N 3.12Å | ||
| 17 | T | 31.2 | Very low | 32.9 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -59.3 | 100.9 | 156 | 31.3 | 0 | 0 | 0 | 0 | 109 | L15 E19 | L15-T17 PolarHBondContact O-N 2.89Å; T17-E19 VanDerWaalsContact C-N 3.31Å; T17-E19 PolarHBondContact O-N 3.35Å | ||
| 18 | R | 30.4 | Very low | 34.1 | Very low | 233 Ų | 233 | 145.3 Ų | 145.3 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -86.9 | 78.9 | 160.9 | -87.8 | 179.4 | 158.2 | 166.5 | -5.3 | 108.2 | G16 T20 | G16-R18 PolarHBondContact O-N 3.37Å; G16-R18 VanDerWaalsContact O-N 3.12Å; R18-T20 VanDerWaalsContact C-N 3.35Å; R18-T20 PolarHBondContact O-N 3.25Å; R18-T20 VanDerWaalsContact O-N 3.17Å | ||
| 19 | E | 30.6 | Very low | 35.7 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -69.3 | 100.1 | 154.3 | -71.7 | -177 | 145.8 | 0 | 0 | 106.5 | T17 D21 | T17-E19 VanDerWaalsContact C-N 3.31Å; T17-E19 PolarHBondContact O-N 3.35Å; E19-D21 VanDerWaalsContact C-N 3.32Å; E19-D21 PolarHBondContact O-N 2.9Å; E19-D21 VanDerWaalsContact O-N 3.1Å | ||
| 20 | T | 31.5 | Very low | 37.6 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | -76.9 | 91.2 | 168.9 | 53.3 | 0 | 0 | 0 | 0 | 107.8 | R18 G22 | R18-T20 VanDerWaalsContact C-N 3.35Å; R18-T20 PolarHBondContact O-N 3.25Å; R18-T20 VanDerWaalsContact O-N 3.17Å; T20-G22 PolarHBondContact O-N 3.38Å | ||
| 21 | D | 32.5 | Very low | 39.8 | Very low | 154 Ų | 154 | 135 Ų | 135 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | -63.7 | 85.2 | 159.6 | -86.7 | -29.7 | 0 | 0 | 0 | 109.1 | E19 M23 | E19-D21 VanDerWaalsContact C-N 3.32Å; E19-D21 PolarHBondContact O-N 2.9Å; E19-D21 VanDerWaalsContact O-N 3.1Å; D21-M23 PolarHBondContact O-N 3.47Å | ||
| 22 | G | 27.4 | Very low | 42.6 | Very low | 68 Ų | 68 | 128.2 Ų | 128.2 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | -80.2 | 92.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | T20 A24 | T20-G22 PolarHBondContact O-N 3.38Å; G22-A24 PolarHBondContact O-N 2.65Å | ||
| 23 | M | 34.9 | Very low | 45.5 | Very low | 190 Ų | 190 | 125.1 Ų | 125.1 | 94% | 0.936 | 67% | 0.673 | S | S | * | * | trans | -45.4 | 103.8 | 166.7 | -90.5 | 169.9 | 155 | 0 | 0 | 109.3 | D21 E25 | D21-M23 PolarHBondContact O-N 3.47Å; M23-E25 PolarHBondContact O-N 2.95Å | ||
| 24 | A | 34.4 | Very low | 48.4 | Very low | 77 Ų | 77 | 116.4 Ų | 116.4 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | trans | -68.9 | 111 | 163.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | G22 N26 | G22-A24 PolarHBondContact O-N 2.65Å; A24-N26 PolarHBondContact O-N 2.89Å | ||
| 25 | E | 35.7 | Very low | 51.5 | Low | 182 Ų | 182 | 114.9 Ų | 114.9 | 85% | 0.85 | 63% | 0.631 | S | S | * | * | trans | -43.9 | 102.9 | 168.3 | -158.5 | 175.1 | -156.7 | 0 | 0 | 108.3 | M23 T27 | M23-E25 PolarHBondContact O-N 2.95Å; E25-T27 VanDerWaalsContact C-N 3.3Å; E25-T27 PolarHBondContact O-N 3.31Å; E25-T27 PolarHBondContact O-OG1 3.48Å | ||
| 26 | N | 42.2 | Very low | 54.3 | Low | 125 Ų | 125 | 106.8 Ų | 106.8 | 67% | 0.668 | 59% | 0.589 | S | S | * | * | trans | -62.9 | 95.1 | -177.8 | -81.7 | -41.2 | 0 | 0 | 0 | 107.3 | A24 E28 | A24-N26 PolarHBondContact O-N 2.89Å; N26-E28 HydrophobicContact CB-CG 4.32Å; N26-E28 PolarHBondContact O-N 3.35Å | ||
| 27 | T | 52.1 | Low | 57.4 | Low | 60 Ų | 60 | 107 Ų | 107 | 37% | 0.368 | 57% | 0.57 | S | S | . | * | trans | -74.8 | 79.6 | 169.9 | -51.9 | 0 | 0 | 0 | 0 | 106.2 | E25 V29 | E25-T27 VanDerWaalsContact C-N 3.3Å; E25-T27 PolarHBondContact O-N 3.31Å; E25-T27 PolarHBondContact O-OG1 3.48Å; T27-V29 PolarHBondContact O-N 3.43Å | ||
| 28 | E | 58 | Low | 60.4 | Low | 159 Ų | 159 | 107.9 Ų | 107.9 | 74% | 0.743 | 56% | 0.563 | S | S | * | * | trans | -60.3 | 122.1 | 173.4 | -66 | -173.2 | 173.9 | 0 | 0 | 107.8 | N26 P30 | N26-E28 HydrophobicContact CB-CG 4.32Å; N26-E28 PolarHBondContact O-N 3.35Å; E28-P30 VanDerWaalsContact O-CD 3.23Å; E28-P30 WeakPolarHBondContact O-CD 3.5Å | ||
| 29 | V | 66.2 | Low | 63.3 | Low | 23 Ų | 23 | 97.4 Ų | 97.4 | 14% | 0.139 | 53% | 0.526 | C | S | . | . | trans | -81.7 | 110.3 | 170.2 | 178.8 | 0 | 0 | 0 | 0 | 105.2 | T27 L31 V234 A238 Y264 | T27-V29 PolarHBondContact O-N 3.43Å; V29-L31 HydrophobicContact CG1-CD2 4.14Å; V29-L31 HydrophobicContact CG1-CG 4.36Å; V29-L31 PolarHBondContact O-N 3.3Å; V29-V234 HydrophobicContact CB-CG1 4.16Å; V29-V234 HydrophobicContact CG1-CG1 4.32Å; V29-V234 HydrophobicContact CG2-CG1 4.5Å; V29-A238 HydrophobicContact CG2-CB 4.22Å; V29-Y264 HydrophobicContact CG1-CD1 3.89Å; V29-Y264 HydrophobicContact CG1-CD2 3.7Å; V29-Y264 HydrophobicContact CG1-CE1 3.72Å; V29-Y264 HydrophobicContact CG1-CE2 3.55Å; V29-Y264 HydrophobicContact CG1-CG 3.87Å | ||
| 30 | P | 73.4 | Confident | 66.3 | Low | 88 Ų | 88 | 89.4 Ų | 89.4 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | trans | -65.5 | 112.4 | 177 | 27 | -32.2 | 0 | 0 | 0 | 107.5 | E28 Y264 | E28-P30 VanDerWaalsContact O-CD 3.23Å; E28-P30 WeakPolarHBondContact O-CD 3.5Å; P30-Y264 HydrophobicContact CG-CE2 4.43Å; P30-Y264 WeakPolarHBondContact O-CD2 3.34Å | ||
| 31 | L | 80.4 | Confident | 69.2 | Low | 41 Ų | 41 | 87.8 Ų | 87.8 | 22% | 0.215 | 47% | 0.472 | C | S | . | . | trans | -107.7 | 124.8 | 174.8 | -70.9 | 179.4 | 0 | 0 | 0 | 108.5 | V29 R33 V234 I251 I263 Y264 | V29-L31 HydrophobicContact CG1-CD2 4.14Å; V29-L31 HydrophobicContact CG1-CG 4.36Å; V29-L31 PolarHBondContact O-N 3.3Å; L31-R33 PolarHBondContact O-N 3.5Å; L31-V234 HydrophobicContact CD1-CB 3.6Å; L31-V234 HydrophobicContact CD1-CG1 3.69Å; L31-V234 HydrophobicContact CD1-CG2 3.83Å; L31-V234 HydrophobicContact CD2-CG1 4.47Å; L31-V234 HydrophobicContact CG-CG1 4.26Å; L31-I251 HydrophobicContact CD2-CD1 4.36Å; L31-I263 HydrophobicContact CD2-CG2 4.21Å; L31-Y264 HydrophobicContact CD2-CD2 4.18Å; L31-Y264 HydrophobicContact CD2-CG 4.17Å | ||
| 32 | D | 87.9 | Confident | 72 | Confident | 88 Ų | 88 | 82.8 Ų | 82.8 | 47% | 0.471 | 45% | 0.452 | S | S | . | . | trans | -77.8 | 110.4 | 169.4 | 177.3 | 21.5 | 0 | 0 | 0 | 109.8 | A34 Q35 V36 | D32-A34 PolarHBondContact O-N 3.31Å; D32-A34 WeakPolarHBondContact OD1-CB 3.41Å; D32-A34 PolarHBondContact OD1-N 3.05Å; D32-Q35 HydrophobicContact CB-CB 4.06Å; D32-Q35 PolarHBondContact O-N 3.3Å; D32-Q35 PolarHBondContact OD2-N 3.48Å; D32-V36 WeakPolarHBondContact O-CG2 3.21Å; D32-V36 PolarHBondContact O-N 2.87Å; D32-V36 VanDerWaalsContact O-N 3.1Å | ||
| 33 | R | 90.2 | Very high | 75 | Confident | 125 Ų | 125 | 79.8 Ų | 79.8 | 47% | 0.472 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.3 | -34.1 | 177.6 | -175.6 | 172.6 | -177.3 | -172.5 | 4.1 | 111.9 | L31 V36 K37 E231 | L31-R33 PolarHBondContact O-N 3.5Å; R33-V36 PolarHBondContact O-N 3.08Å; R33-K37 WeakPolarHBondContact O-CB 3.34Å; R33-K37 PolarHBondContact O-N 3.12Å; R33-E231 VanDerWaalsContact CD-OE1 3.29Å; R33-E231 WeakPolarHBondContact CD-OE1 3.48Å; R33-E231 VanDerWaalsContact CG-OE1 3.25Å; R33-E231 WeakPolarHBondContact CG-OE1 3.23Å; R33-E231 IonicContact NE-OE1 3.76Å |
| 34 | A | 90.5 | Very high | 77.6 | Confident | 50 Ų | 50 | 71.6 Ų | 71.6 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D32 K37 K38 | D32-A34 PolarHBondContact O-N 3.31Å; D32-A34 WeakPolarHBondContact OD1-CB 3.41Å; D32-A34 PolarHBondContact OD1-N 3.05Å; A34-K37 PolarHBondContact O-N 3.03Å; A34-K38 WeakPolarHBondContact O-CG 3.43Å; A34-K38 PolarHBondContact O-N 3.25Å |
| 35 | Q | 91.1 | Very high | 80.2 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 38% | 0.383 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 174 | -175.3 | 174.4 | 0.3 | 0 | 0 | 112.3 | D32 K37 K38 A39 P262 I263 | D32-Q35 HydrophobicContact CB-CB 4.06Å; D32-Q35 PolarHBondContact O-N 3.3Å; D32-Q35 PolarHBondContact OD2-N 3.48Å; Q35-K37 VanDerWaalsContact C-N 3.34Å; Q35-K37 PolarHBondContact O-N 3Å; Q35-K38 PolarHBondContact O-N 3.14Å; Q35-A39 WeakPolarHBondContact O-CB 3.5Å; Q35-A39 PolarHBondContact O-N 3.3Å; Q35-P262 PolarHBondContact NE2-O 3.18Å; Q35-P262 VanDerWaalsContact NE2-O 3.16Å; Q35-I263 PolarHBondContact NE2-O 2.98Å; Q35-I263 PolarHBondContact OE1-O 3.02Å |
| 36 | V | 92.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.3 | -48.3 | 176 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | D32 R33 K38 A39 V40 T227 V230 I263 | D32-V36 WeakPolarHBondContact O-CG2 3.21Å; D32-V36 PolarHBondContact O-N 2.87Å; D32-V36 VanDerWaalsContact O-N 3.1Å; R33-V36 PolarHBondContact O-N 3.08Å; V36-K38 PolarHBondContact O-N 3.3Å; V36-A39 PolarHBondContact O-N 3.36Å; V36-V40 HydrophobicContact CG1-CG2 4.23Å; V36-V40 VanDerWaalsContact O-CG2 3.29Å; V36-V40 WeakPolarHBondContact O-CG2 3.4Å; V36-V40 PolarHBondContact O-N 2.9Å; V36-T227 HydrophobicContact CG1-CG2 3.95Å; V36-V230 HydrophobicContact CG1-CB 4.15Å; V36-V230 HydrophobicContact CG1-CG1 3.9Å; V36-I263 HydrophobicContact CB-CG2 4.49Å; V36-I263 HydrophobicContact CG1-CD1 4.32Å; V36-I263 HydrophobicContact CG2-CG2 3.49Å; V36-I263 VanDerWaalsContact CG2-CG2 3.49Å |
| 37 | K | 93.1 | Very high | 84.8 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 32% | 0.317 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | -178.6 | -173.1 | 163.9 | 177.9 | 158.7 | 0 | 112.2 | R33 A34 Q35 A39 V40 Q41 D224 T227 | R33-K37 WeakPolarHBondContact O-CB 3.34Å; R33-K37 PolarHBondContact O-N 3.12Å; A34-K37 PolarHBondContact O-N 3.03Å; Q35-K37 VanDerWaalsContact C-N 3.34Å; Q35-K37 PolarHBondContact O-N 3Å; K37-A39 PolarHBondContact O-N 3.24Å; K37-V40 PolarHBondContact O-N 3.38Å; K37-Q41 WeakPolarHBondContact O-CB 3.21Å; K37-Q41 VanDerWaalsContact O-CG 3.29Å; K37-Q41 WeakPolarHBondContact O-CG 3.44Å; K37-Q41 PolarHBondContact O-N 3.01Å; K37-D224 WeakPolarHBondContact CE-OD1 3.28Å; K37-D224 IonicContact NZ-OD1 2.63Å; K37-D224 PolarHBondContact NZ-OD1 3.45Å; K37-D224 IonicContact NZ-OD2 3.28Å; K37-T227 HydrophobicContact CB-CG2 3.9Å; K37-T227 HydrophobicContact CG-CG2 4.31Å |
| 38 | K | 93.3 | Very high | 86.3 | Confident | 151 Ų | 151 | 64.5 Ų | 64.5 | 66% | 0.657 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.3 | -44.8 | 174.6 | -72.3 | 175 | -178 | 177.5 | 0 | 111.8 | A34 Q35 V36 Q41 A42 | A34-K38 WeakPolarHBondContact O-CG 3.43Å; A34-K38 PolarHBondContact O-N 3.25Å; Q35-K38 PolarHBondContact O-N 3.14Å; V36-K38 PolarHBondContact O-N 3.3Å; K38-Q41 PolarHBondContact O-N 3.04Å; K38-A42 WeakPolarHBondContact O-CB 3.45Å; K38-A42 PolarHBondContact O-N 3.28Å |
| 39 | A | 92.3 | Very high | 87.6 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 10% | 0.099 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q35 V36 K37 L43 L253 L261 I263 | Q35-A39 WeakPolarHBondContact O-CB 3.5Å; Q35-A39 PolarHBondContact O-N 3.3Å; V36-A39 PolarHBondContact O-N 3.36Å; K37-A39 PolarHBondContact O-N 3.24Å; A39-L43 WeakPolarHBondContact O-CB 3.47Å; A39-L43 PolarHBondContact O-N 3.13Å; A39-L253 HydrophobicContact CB-CD2 4.45Å; A39-L261 HydrophobicContact CB-CB 4.27Å; A39-L261 HydrophobicContact CB-CD1 4.18Å; A39-L261 VanDerWaalsContact O-CD1 3.24Å; A39-L261 WeakPolarHBondContact O-CD1 3.36Å; A39-I263 HydrophobicContact CB-CG1 4.23Å |
| 40 | V | 92.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 176.3 | 170.7 | 0 | 0 | 0 | 0 | 111 | V36 K37 L43 Q44 A223 V226 T227 L253 | V36-V40 HydrophobicContact CG1-CG2 4.23Å; V36-V40 VanDerWaalsContact O-CG2 3.29Å; V36-V40 WeakPolarHBondContact O-CG2 3.4Å; V36-V40 PolarHBondContact O-N 2.9Å; K37-V40 PolarHBondContact O-N 3.38Å; V40-L43 PolarHBondContact O-N 2.86Å; V40-Q44 HydrophobicContact CG1-CG 4.36Å; V40-Q44 WeakPolarHBondContact O-CB 3.48Å; V40-Q44 WeakPolarHBondContact O-CG 3.19Å; V40-Q44 PolarHBondContact O-N 3.34Å; V40-A223 HydrophobicContact CG1-CB 4.01Å; V40-V226 HydrophobicContact CB-CG1 4.49Å; V40-V226 HydrophobicContact CG1-CB 3.87Å; V40-V226 HydrophobicContact CG1-CG1 3.84Å; V40-V226 HydrophobicContact CG1-CG2 4.5Å; V40-V226 HydrophobicContact CG2-CB 4.41Å; V40-V226 HydrophobicContact CG2-CG1 3.73Å; V40-T227 HydrophobicContact CG2-CG2 4.26Å; V40-L253 HydrophobicContact CB-CD2 4.47Å; V40-L253 HydrophobicContact CG2-CD2 3.73Å |
| 41 | Q | 92.7 | Very high | 87.8 | Confident | 95 Ų | 95 | 61.1 Ų | 61.1 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 178.2 | -74.8 | 175.4 | -14.3 | 0 | 0 | 111.9 | K37 K38 L43 Q44 S45 A223 | K37-Q41 WeakPolarHBondContact O-CB 3.21Å; K37-Q41 VanDerWaalsContact O-CG 3.29Å; K37-Q41 WeakPolarHBondContact O-CG 3.44Å; K37-Q41 PolarHBondContact O-N 3.01Å; K38-Q41 PolarHBondContact O-N 3.04Å; Q41-L43 VanDerWaalsContact C-N 3.3Å; Q41-L43 PolarHBondContact O-N 3.36Å; Q41-Q44 PolarHBondContact O-N 3.49Å; Q41-S45 PolarHBondContact O-N 3.35Å; Q41-S45 PolarHBondContact O-OG 3.46Å; Q41-A223 HydrophobicContact CG-CB 4.21Å |
| 42 | A | 92 | Very high | 87 | Confident | 49 Ų | 49 | 67.2 Ų | 67.2 | 41% | 0.405 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | K38 S45 F46 L261 | K38-A42 WeakPolarHBondContact O-CB 3.45Å; K38-A42 PolarHBondContact O-N 3.28Å; A42-S45 WeakPolarHBondContact CA-OG 3.4Å; A42-S45 PolarHBondContact O-OG 2.98Å; A42-F46 PolarHBondContact O-N 2.86Å; A42-F46 VanDerWaalsContact O-N 3.15Å; A42-L261 HydrophobicContact CB-CD1 4.26Å |
| 43 | L | 90.4 | Very high | 85.7 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.3 | -46.5 | 176.7 | -174.9 | 63.8 | 0 | 0 | 0 | 111.4 | A39 V40 Q41 S45 F46 L47 I64 L253 S258 L261 | A39-L43 WeakPolarHBondContact O-CB 3.47Å; A39-L43 PolarHBondContact O-N 3.13Å; V40-L43 PolarHBondContact O-N 2.86Å; Q41-L43 VanDerWaalsContact C-N 3.3Å; Q41-L43 PolarHBondContact O-N 3.36Å; L43-S45 VanDerWaalsContact C-N 3.34Å; L43-S45 PolarHBondContact O-N 3.02Å; L43-F46 WeakPolarHBondContact O-CB 3.36Å; L43-F46 PolarHBondContact O-N 3.27Å; L43-L47 HydrophobicContact CG-CD1 4.16Å; L43-L47 VanDerWaalsContact O-CG 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 3.23Å; L43-I64 HydrophobicContact CD2-CD1 4.32Å; L43-I64 HydrophobicContact CD2-CG1 4.12Å; L43-I64 HydrophobicContact CD2-CG2 3.78Å; L43-L253 HydrophobicContact CD2-CD2 3.82Å; L43-L253 HydrophobicContact CD2-CG 3.84Å; L43-S258 WeakPolarHBondContact CD1-OG 3.27Å; L43-L261 HydrophobicContact CB-CD1 4.22Å |
| 44 | Q | 89.4 | Confident | 84.2 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 9% | 0.089 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | 178.1 | -74.2 | -179.1 | -13.3 | 0 | 0 | 112.1 | V40 Q41 F46 L47 K48 M221 | V40-Q44 HydrophobicContact CG1-CG 4.36Å; V40-Q44 WeakPolarHBondContact O-CB 3.48Å; V40-Q44 WeakPolarHBondContact O-CG 3.19Å; V40-Q44 PolarHBondContact O-N 3.34Å; Q41-Q44 PolarHBondContact O-N 3.49Å; Q44-F46 VanDerWaalsContact C-N 3.31Å; Q44-F46 PolarHBondContact O-N 2.89Å; Q44-L47 PolarHBondContact O-N 3.4Å; Q44-K48 WeakPolarHBondContact O-CB 3.4Å; Q44-K48 VanDerWaalsContact O-CG 3.3Å; Q44-K48 WeakPolarHBondContact O-CG 3.45Å; Q44-K48 PolarHBondContact O-N 2.81Å; Q44-M221 PolarHBondContact NE2-O 2.67Å |
| 45 | S | 88.8 | Confident | 82.7 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 174.4 | 55.1 | 0 | 0 | 0 | 0 | 112 | Q41 A42 L43 K48 S49 | Q41-S45 PolarHBondContact O-N 3.35Å; Q41-S45 PolarHBondContact O-OG 3.46Å; A42-S45 WeakPolarHBondContact CA-OG 3.4Å; A42-S45 PolarHBondContact O-OG 2.98Å; L43-S45 VanDerWaalsContact C-N 3.34Å; L43-S45 PolarHBondContact O-N 3.02Å; S45-K48 PolarHBondContact O-N 3.03Å; S45-S49 PolarHBondContact O-N 3.25Å; S45-S49 PolarHBondContact O-OG 3.32Å |
| 46 | F | 88.7 | Confident | 81.1 | Confident | 84 Ų | 84 | 72.8 Ų | 72.8 | 37% | 0.368 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 176.2 | 176 | -98.1 | 0 | 0 | 0 | 112.1 | A42 L43 Q44 K48 S49 K50 | A42-F46 PolarHBondContact O-N 2.86Å; A42-F46 VanDerWaalsContact O-N 3.15Å; L43-F46 WeakPolarHBondContact O-CB 3.36Å; L43-F46 PolarHBondContact O-N 3.27Å; Q44-F46 VanDerWaalsContact C-N 3.31Å; Q44-F46 PolarHBondContact O-N 2.89Å; F46-K48 VanDerWaalsContact C-N 3.35Å; F46-K48 PolarHBondContact O-N 2.68Å; F46-S49 WeakPolarHBondContact CA-OG 3.36Å; F46-S49 PolarHBondContact O-N 3.48Å; F46-S49 PolarHBondContact O-OG 3.1Å; F46-K50 HydrophobicContact CE1-CD 4.21Å; F46-K50 HydrophobicContact CZ-CD 4.22Å; F46-K50 WeakPolarHBondContact O-CB 3.45Å; F46-K50 PolarHBondContact O-N 3.47Å |
| 47 | L | 85.9 | Confident | 79.3 | Confident | 8 Ų | 8 | 78.8 Ų | 78.8 | 4% | 0.042 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 178 | -65.6 | 174.3 | 0 | 0 | 0 | 111.2 | L43 Q44 K50 S51 Q62 I64 | L43-L47 HydrophobicContact CG-CD1 4.16Å; L43-L47 VanDerWaalsContact O-CG 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 3.23Å; Q44-L47 PolarHBondContact O-N 3.4Å; L47-K50 PolarHBondContact O-N 3.47Å; L47-S51 PolarHBondContact O-N 3.25Å; L47-S51 PolarHBondContact O-OG 3.48Å; L47-Q62 HydrophobicContact CD2-CB 4.23Å; L47-I64 HydrophobicContact CD1-CD1 4.35Å; L47-I64 HydrophobicContact CD1-CG1 4.2Å |
| 48 | K | 84.3 | Confident | 77.6 | Confident | 131 Ų | 131 | 82.6 Ų | 82.6 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.4 | -34.6 | 175.3 | -72.3 | 176.6 | -179 | -177.9 | 0 | 113.4 | Q44 S45 F46 K50 S51 | Q44-K48 WeakPolarHBondContact O-CB 3.4Å; Q44-K48 VanDerWaalsContact O-CG 3.3Å; Q44-K48 WeakPolarHBondContact O-CG 3.45Å; Q44-K48 PolarHBondContact O-N 2.81Å; S45-K48 PolarHBondContact O-N 3.03Å; F46-K48 VanDerWaalsContact C-N 3.35Å; F46-K48 PolarHBondContact O-N 2.68Å; K48-K50 VanDerWaalsContact C-N 3.29Å; K48-S51 PolarHBondContact O-OG 3.18Å |
| 49 | S | 83.5 | Confident | 75.8 | Confident | 73 Ų | 73 | 81 Ų | 81 | 51% | 0.51 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.9 | -32.5 | 173.6 | 56.6 | 0 | 0 | 0 | 0 | 112 | S45 F46 | S45-S49 PolarHBondContact O-N 3.25Å; S45-S49 PolarHBondContact O-OG 3.32Å; F46-S49 WeakPolarHBondContact CA-OG 3.36Å; F46-S49 PolarHBondContact O-N 3.48Å; F46-S49 PolarHBondContact O-OG 3.1Å |
| 50 | K | 78.5 | Confident | 74.3 | Confident | 71 Ų | 71 | 85.6 Ų | 85.6 | 31% | 0.309 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -83 | -37 | -176.4 | -166.8 | 168 | -178.9 | 173.1 | 0 | 113.1 | F46 L47 K48 K52 A53 T257 | F46-K50 HydrophobicContact CE1-CD 4.21Å; F46-K50 HydrophobicContact CZ-CD 4.22Å; F46-K50 WeakPolarHBondContact O-CB 3.45Å; F46-K50 PolarHBondContact O-N 3.47Å; L47-K50 PolarHBondContact O-N 3.47Å; K48-K50 VanDerWaalsContact C-N 3.29Å; K50-K52 PolarHBondContact O-N 3.24Å; K50-A53 PolarHBondContact O-N 2.93Å; K50-T257 PolarHBondContact NZ-OG1 3.33Å; K50-T257 VanDerWaalsContact NZ-OG1 3.17Å |
| 51 | S | 66.8 | Low | 73.3 | Confident | 55 Ų | 55 | 86.3 Ų | 86.3 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -30.1 | 177.4 | 60.4 | 0 | 0 | 0 | 0 | 113.1 | L47 K48 A53 D54 | L47-S51 PolarHBondContact O-N 3.25Å; L47-S51 PolarHBondContact O-OG 3.48Å; K48-S51 PolarHBondContact O-OG 3.18Å; S51-A53 PolarHBondContact O-N 3.17Å; S51-D54 PolarHBondContact O-N 3.1Å; S51-D54 VanDerWaalsContact O-N 3.17Å |
| 52 | K | 62.8 | Low | 72.8 | Confident | 170 Ų | 170 | 84.1 Ų | 84.1 | 74% | 0.739 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.6 | 173.6 | -70.5 | -179.7 | -178.5 | -175 | 0 | 114 | K50 V55 | K50-K52 PolarHBondContact O-N 3.24Å; K52-V55 WeakPolarHBondContact O-CG2 3.37Å |
| 53 | A | 61.5 | Low | 72.6 | Confident | 89 Ų | 89 | 83.6 Ų | 83.6 | 74% | 0.736 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -17.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K50 S51 | K50-A53 PolarHBondContact O-N 2.93Å; S51-A53 PolarHBondContact O-N 3.17Å |
| 54 | D | 58.6 | Low | 72.6 | Confident | 83 Ų | 83 | 83.4 Ų | 83.4 | 44% | 0.444 | 46% | 0.458 | S | S | . | . | trans | -124.3 | 34.7 | -164.8 | -133 | 2.7 | 0 | 0 | 0 | 111.9 | S51 L56 L57 | S51-D54 PolarHBondContact O-N 3.1Å; S51-D54 VanDerWaalsContact O-N 3.17Å; D54-L56 PolarHBondContact O-N 3.42Å; D54-L57 PolarHBondContact O-N 3.46Å | ||
| 55 | V | 58.5 | Low | 72.8 | Confident | 119 Ų | 119 | 83.1 Ų | 83.1 | 72% | 0.721 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -9.8 | -170.6 | -177.7 | 0 | 0 | 0 | 0 | 114.2 | K52 | K52-V55 WeakPolarHBondContact O-CG2 3.37Š|
| 56 | L | 57.4 | Low | 73 | Confident | 171 Ų | 171 | 79.8 Ų | 79.8 | 90% | 0.895 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -11.8 | -176.2 | -68.4 | 173.8 | 0 | 0 | 0 | 114.6 | D54 | D54-L56 PolarHBondContact O-N 3.42Š|
| 57 | L | 54.7 | Low | 73.3 | Confident | 126 Ų | 126 | 77.7 Ų | 77.7 | 66% | 0.66 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -96.8 | 124 | 174.4 | -57.8 | -175.1 | 0 | 0 | 0 | 108.3 | D54 D59 | D54-L57 PolarHBondContact O-N 3.46Å; L57-D59 PolarHBondContact O-N 2.88Å |
| 58 | L | 56.6 | Low | 73.5 | Confident | 153 Ų | 153 | 77.4 Ų | 77.4 | 80% | 0.801 | 43% | 0.425 | S | S | * | . | trans | -35.9 | 128.2 | 174 | -66.7 | 153.8 | 0 | 0 | 0 | 109.5 | D60 | L58-D60 PolarHBondContact O-N 2.9Š| ||
| 59 | D | 56.4 | Low | 73.9 | Confident | 118 Ų | 118 | 72.1 Ų | 72.1 | 63% | 0.631 | 40% | 0.404 | S | S | * | . | trans | -69.7 | 51 | -176.4 | -172.2 | 38.7 | 0 | 0 | 0 | 111.9 | L57 G61 | L57-D59 PolarHBondContact O-N 2.88Å; D59-G61 PolarHBondContact O-N 2.86Å | ||
| 60 | D | 60.4 | Low | 74.1 | Confident | 107 Ų | 107 | 69 Ų | 69 | 57% | 0.572 | 38% | 0.381 | S | S | * | . | trans | -72 | 84.7 | 166.3 | -70.8 | -32.2 | 0 | 0 | 0 | 106.4 | L58 Q62 | L58-D60 PolarHBondContact O-N 2.9Å; D60-Q62 PolarHBondContact O-N 3.04Å | ||
| 61 | G | 70.6 | Confident | 74.4 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | trans | -37.4 | 127.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114 | D59 S219 | D59-G61 PolarHBondContact O-N 2.86Å; G61-S219 VanDerWaalsContact C-OG 3.28Å; G61-S219 WeakPolarHBondContact CA-OG 2.89Å | ||
| 62 | Q | 82.6 | Confident | 75.3 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 23% | 0.229 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 130.7 | -170.9 | -67.1 | -167.8 | 5.7 | 0 | 0 | 111.7 | L47 D60 I64 H218 S219 | L47-Q62 HydrophobicContact CD2-CB 4.23Å; D60-Q62 PolarHBondContact O-N 3.04Å; Q62-I64 PolarHBondContact O-N 2.75Å; Q62-H218 CarbonylContact O-C 3.52Å; Q62-H218 WeakPolarHBondContact O-CA 3.45Å; Q62-S219 PolarHBondContact N-OG 3.45Å; Q62-S219 PolarHBondContact O-N 3.48Å |
| 63 | P | 88.2 | Confident | 76.4 | Confident | 38 Ų | 38 | 66.2 Ų | 66.2 | 25% | 0.247 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 126.6 | -175 | 27.4 | -34.2 | 0 | 0 | 0 | 111.6 | R215 S255 | P63-R215 HydrophobicContact CB-CG 3.97Å; P63-S255 PolarHBondContact O-OG 3.2Å |
| 64 | I | 91.3 | Very high | 77.5 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126.8 | 172.4 | -59.1 | 173.8 | 0 | 0 | 0 | 108.6 | L43 L47 Q62 V216 A217 L253 | L43-I64 HydrophobicContact CD2-CD1 4.32Å; L43-I64 HydrophobicContact CD2-CG1 4.12Å; L43-I64 HydrophobicContact CD2-CG2 3.78Å; L47-I64 HydrophobicContact CD1-CD1 4.35Å; L47-I64 HydrophobicContact CD1-CG1 4.2Å; Q62-I64 PolarHBondContact O-N 2.75Å; I64-V216 PolarHBondContact O-N 3Å; I64-A217 HydrophobicContact CB-CB 4.18Å; I64-A217 HydrophobicContact CD1-CB 4.46Å; I64-A217 PolarHBondContact N-O 3.26Å; I64-A217 PolarHBondContact O-N 3.17Å; I64-L253 HydrophobicContact CG2-CD1 3.56Å; I64-L253 HydrophobicContact CG2-CG 4.06Å |
| 65 | S | 93 | Very high | 78.7 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 146.4 | -176.8 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | A214 K254 | S65-A214 CarbonylContact C-O 3.53Å; S65-A214 WeakPolarHBondContact CA-O 3.42Å; S65-A214 WeakPolarHBondContact CB-O 3.36Å; S65-K254 CarbonylContact C-O 3.44Å; S65-K254 WeakPolarHBondContact CA-O 3.36Å; S65-K254 PolarHBondContact N-O 3.32Å; S65-K254 PolarHBondContact O-N 2.92Å |
| 66 | L | 93.6 | Very high | 80 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.2 | 167.4 | -69.9 | 179.2 | 0 | 0 | 0 | 110.1 | F68 M213 A214 V216 V230 A233 V234 I251 H252 L253 I263 | L66-F68 HydrophobicContact CB-CD2 4.45Å; L66-F68 HydrophobicContact CB-CE2 3.76Å; L66-F68 HydrophobicContact CB-CZ 4.11Å; L66-F68 HydrophobicContact CD1-CE2 4.41Å; L66-F68 HydrophobicContact CD1-CZ 4Å; L66-M213 CarbonylContact O-C 3.58Å; L66-M213 VanDerWaalsContact O-CA 3.29Å; L66-M213 WeakPolarHBondContact O-CA 3.23Å; L66-A214 PolarHBondContact N-O 3.09Å; L66-A214 PolarHBondContact O-N 3.18Å; L66-V216 HydrophobicContact CB-CG2 4.1Å; L66-V216 HydrophobicContact CD1-CG2 3.7Å; L66-V216 HydrophobicContact CG-CB 4.4Å; L66-V216 HydrophobicContact CG-CG2 3.7Å; L66-V230 HydrophobicContact CD1-CB 4.34Å; L66-V230 HydrophobicContact CD1-CG1 3.97Å; L66-V230 HydrophobicContact CD1-CG2 4.17Å; L66-V230 HydrophobicContact CD2-CG1 4.1Å; L66-V230 HydrophobicContact CD2-CG2 4.12Å; L66-V230 HydrophobicContact CG-CG2 4.35Å; L66-A233 HydrophobicContact CD1-CB 4.09Å; L66-V234 HydrophobicContact CD1-CG2 4.3Å; L66-I251 HydrophobicContact CD2-CG2 4.15Å; L66-H252 CarbonylContact C-O 3.55Å; L66-H252 WeakPolarHBondContact CA-O 3.44Å; L66-L253 HydrophobicContact CD2-CB 4.4Å; L66-L253 HydrophobicContact CD2-CD1 3.5Å; L66-L253 VanDerWaalsContact CD2-CD1 3.5Å; L66-L253 HydrophobicContact CG-CD1 4.34Å; L66-I263 HydrophobicContact CD2-CD1 4.13Å |
| 67 | L | 93.6 | Very high | 81.4 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 113.2 | 172.7 | 178.9 | 68.8 | 0 | 0 | 0 | 109.3 | C211 M213 I251 H252 | L67-C211 HydrophobicContact CD1-CB 4.13Å; L67-M213 HydrophobicContact CD1-CB 4.18Å; L67-I251 WeakPolarHBondContact O-CA 3.3Å; L67-H252 HydrophobicContact CB-CB 4.2Å; L67-H252 PolarHBondContact N-O 3.18Å; L67-H252 PolarHBondContact O-N 2.89Å |
| 68 | F | 91.6 | Very high | 82.9 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 1% | 0.013 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 125 | 174.6 | -62.3 | -88.6 | 0 | 0 | 0 | 109.8 | L66 L203 C211 S212 A214 V234 V237 I251 | L66-F68 HydrophobicContact CB-CD2 4.45Å; L66-F68 HydrophobicContact CB-CE2 3.76Å; L66-F68 HydrophobicContact CB-CZ 4.11Å; L66-F68 HydrophobicContact CD1-CE2 4.41Å; L66-F68 HydrophobicContact CD1-CZ 4Å; F68-L203 HydrophobicContact CD2-CD1 4.04Å; F68-L203 HydrophobicContact CD2-CD2 3.85Å; F68-L203 HydrophobicContact CE2-CD1 4.49Å; F68-L203 HydrophobicContact CE2-CD2 4.1Å; F68-L203 HydrophobicContact CG-CD2 4.4Å; F68-C211 CarbonylContact O-C 3.59Å; F68-C211 VanDerWaalsContact O-CA 3.31Å; F68-C211 WeakPolarHBondContact O-CA 3.28Å; F68-S212 PolarHBondContact N-O 2.93Å; F68-S212 PolarHBondContact O-N 3.32Å; F68-A214 HydrophobicContact CE2-CB 4.46Å; F68-V234 HydrophobicContact CE1-CG2 4.07Å; F68-V234 HydrophobicContact CZ-CG2 4.3Å; F68-V237 HydrophobicContact CD1-CG1 4.24Å; F68-V237 HydrophobicContact CE1-CB 4.28Å; F68-V237 HydrophobicContact CE1-CG1 4.1Å; F68-V237 HydrophobicContact CE1-CG2 4.39Å; F68-V237 HydrophobicContact CE2-CG2 4.34Å; F68-V237 HydrophobicContact CZ-CB 4.35Å; F68-V237 HydrophobicContact CZ-CG1 4.45Å; F68-V237 HydrophobicContact CZ-CG2 3.98Å; F68-I251 HydrophobicContact CD1-CD1 4.34Å; F68-I251 HydrophobicContact CD1-CG1 4.07Å; F68-I251 HydrophobicContact CD1-CG2 4.46Å; F68-I251 HydrophobicContact CE1-CD1 4.14Å; F68-I251 HydrophobicContact CE1-CG1 4.29Å; F68-I251 HydrophobicContact CE1-CG2 4.29Å |
| 69 | T | 91.2 | Very high | 84.5 | Confident | 19 Ų | 19 | 57 Ų | 57 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.5 | 168.6 | -51.6 | 0 | 0 | 0 | 0 | 108.8 | K249 L250 | T69-K249 HydrophobicContact CG2-CB 4.44Å; T69-K249 HydrophobicContact CG2-CD 4.33Å; T69-K249 WeakPolarHBondContact O-CA 3.5Å; T69-K249 WeakPolarHBondContact O-CB 3.39Å; T69-K249 PolarHBondContact O-N 2.85Å; T69-L250 PolarHBondContact N-O 3.22Å; T69-L250 PolarHBondContact O-N 3.01Å |
| 70 | L | 88.9 | Confident | 86 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 143.9 | -177.6 | -56.4 | -179.3 | 0 | 0 | 0 | 110.8 | K72 V205 C210 L241 M243 I247 V248 | L70-K72 VanDerWaalsContact C-N 3.31Å; L70-V205 HydrophobicContact CD1-CG1 3.62Å; L70-C210 PolarHBondContact N-O 2.79Å; L70-C210 WeakPolarHBondContact O-CB 3.46Å; L70-L241 HydrophobicContact CD2-CD2 4.12Å; L70-M243 HydrophobicContact CD1-CE 4.17Å; L70-I247 WeakPolarHBondContact CA-O 3.44Å; L70-I247 HydrophobicContact CB-CG2 3.85Å; L70-I247 HydrophobicContact CD1-CG2 4.32Å; L70-I247 HydrophobicContact CD2-CG2 3.81Å; L70-I247 HydrophobicContact CG-CG2 4.18Å; L70-V248 HydrophobicContact CD2-CG2 4.24Å |
| 71 | W | 84.9 | Confident | 87.4 | Confident | 64 Ų | 64 | 51.6 Ų | 51.6 | 24% | 0.242 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -66.1 | -35.3 | 171.3 | -78.7 | 110.7 | 0 | 0 | 0 | 112.7 | I247 K249 S266 L268 I271 L274 | W71-I247 PolarHBondContact N-O 2.87Å; W71-K249 HydrophobicContact CD2-CB 3.96Å; W71-K249 HydrophobicContact CD2-CD 3.97Å; W71-K249 HydrophobicContact CD2-CG 4.03Å; W71-K249 HydrophobicContact CE3-CD 3.93Å; W71-K249 HydrophobicContact CE3-CG 4.47Å; W71-K249 HydrophobicContact CG-CB 3.98Å; W71-K249 HydrophobicContact CH2-CD 3.69Å; W71-K249 VanDerWaalsContact CH2-CE 3.46Å; W71-K249 HydrophobicContact CH2-CG 4Å; W71-K249 HydrophobicContact CZ2-CB 4.23Å; W71-K249 HydrophobicContact CZ2-CD 3.79Å; W71-K249 HydrophobicContact CZ2-CG 3.55Å; W71-K249 HydrophobicContact CZ3-CD 3.79Å; W71-K249 HydrophobicContact CZ3-CG 4.46Å; W71-S266 PolarHBondContact NE1-OG 3.17Å; W71-L268 HydrophobicContact CH2-CD2 4.23Å; W71-I271 HydrophobicContact CD2-CG1 4.46Å; W71-I271 HydrophobicContact CE3-CG1 4.15Å; W71-I271 HydrophobicContact CH2-CD1 3.24Å; W71-I271 HydrophobicContact CH2-CG1 3.35Å; W71-I271 HydrophobicContact CZ2-CD1 3.92Å; W71-I271 HydrophobicContact CZ2-CG1 3.65Å; W71-I271 HydrophobicContact CZ3-CD1 3.67Å; W71-I271 HydrophobicContact CZ3-CG1 3.6Å; W71-L274 HydrophobicContact CB-CD1 3.62Å; W71-L274 HydrophobicContact CG-CD1 3.82Å |
| 72 | K | 84.7 | Confident | 88.4 | Confident | 103 Ų | 103 | 50.9 Ų | 50.9 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -129.1 | 130.3 | -176.7 | -171.4 | 175.7 | -178.3 | 177.6 | 0 | 109.8 | L70 | L70-K72 VanDerWaalsContact C-N 3.31Š|
| 73 | I | 86.8 | Confident | 88.7 | Confident | 72 Ų | 72 | 51 Ų | 51 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | trans | -74.5 | 130.3 | 175.2 | -55.3 | 175.4 | 0 | 0 | 0 | 108.1 | N207 C210 | I73-N207 VanDerWaalsContact CG2-C 3.44Å; I73-N207 VanDerWaalsContact CG2-O 3.28Å; I73-N207 WeakPolarHBondContact CG2-O 3.49Å; I73-C210 HydrophobicContact CG1-CB 4.21Å | ||
| 74 | P | 83.8 | Confident | 88.8 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | trans | -65.3 | 149.4 | 177.3 | 27.7 | -34.8 | 0 | 0 | 0 | 111.2 | Q76 V205 N207 M243 | P74-Q76 VanDerWaalsContact C-N 3.34Å; P74-V205 HydrophobicContact CG-CB 4.47Å; P74-V205 HydrophobicContact CG-CG1 3.6Å; P74-N207 WeakPolarHBondContact O-CB 3.4Å; P74-M243 HydrophobicContact CB-CE 4.05Å; P74-M243 HydrophobicContact CB-CG 4.48Å; P74-M243 HydrophobicContact CB-SD 3.79Å; P74-M243 HydrophobicContact CG-CE 4.47Å | ||
| 75 | R | 84.4 | Confident | 88.7 | Confident | 235 Ų | 235 | 52.7 Ų | 52.7 | 89% | 0.887 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -68.7 | -34.4 | 178.7 | -68 | -175 | 173.9 | 179.5 | -1.2 | 112.6 | ||
| 76 | Q | 85.8 | Confident | 88.4 | Confident | 145 Ų | 145 | 54.5 Ų | 54.5 | 68% | 0.678 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -122.3 | 142.8 | -179.9 | -169.4 | 177.3 | 18.5 | 0 | 0 | 109.4 | P74 Q78 | P74-Q76 VanDerWaalsContact C-N 3.34Å; Q76-Q78 PolarHBondContact O-N 3.18Å |
| 77 | T | 86.6 | Confident | 87.9 | Confident | 65 Ų | 65 | 55.8 Ų | 55.8 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | trans | -62.4 | 129.7 | 172.5 | -60.6 | 0 | 0 | 0 | 0 | 110.1 | T204 V205 | T77-T204 HydrophobicContact CG2-CG2 4.05Å; T77-V205 CarbonylContact C-O 3.58Å; T77-V205 VanDerWaalsContact CA-O 3.31Å; T77-V205 WeakPolarHBondContact CA-O 3.18Å; T77-V205 WeakPolarHBondContact CG2-O 3.25Å | ||
| 78 | Q | 87 | Confident | 87.3 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 15% | 0.145 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.7 | -179.8 | -64.4 | 175.3 | 25.1 | 0 | 0 | 109 | Q76 V205 | Q76-Q78 PolarHBondContact O-N 3.18Å; Q78-V205 PolarHBondContact N-O 3.35Å; Q78-V205 PolarHBondContact O-N 2.79Å |
| 79 | T | 88.4 | Confident | 86.7 | Confident | 66 Ų | 66 | 56.7 Ų | 56.7 | 41% | 0.405 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 116 | 168.7 | -61.4 | 0 | 0 | 0 | 0 | 108.1 | ||
| 80 | I | 88.8 | Confident | 85.9 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.9 | 178.3 | -59.5 | 172.8 | 0 | 0 | 0 | 107.9 | I82 R202 L203 V205 K240 L241 | I80-I82 HydrophobicContact CG2-CG1 4.22Å; I80-R202 CarbonylContact O-C 3.58Å; I80-R202 WeakPolarHBondContact O-CA 3.5Å; I80-L203 HydrophobicContact CB-CB 4.43Å; I80-L203 PolarHBondContact N-O 3.18Å; I80-L203 PolarHBondContact O-N 2.92Å; I80-V205 HydrophobicContact CD1-CG2 4.22Å; I80-K240 HydrophobicContact CG1-CB 4.43Å; I80-K240 HydrophobicContact CG2-CB 3.65Å; I80-K240 HydrophobicContact CG2-CD 3.8Å; I80-K240 HydrophobicContact CG2-CG 4.33Å; I80-L241 HydrophobicContact CD1-CB 4.42Å; I80-L241 HydrophobicContact CD1-CD1 4.07Å |
| 81 | R | 89 | Confident | 85 | Confident | 105 Ų | 105 | 65.7 Ų | 65.7 | 40% | 0.396 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 125.5 | 170.9 | -60.1 | -177.4 | -173.1 | -168.3 | -1.2 | 108.9 | S182 K240 | R81-S182 PolarHBondContact NH1-O 3.3Å; R81-S182 PolarHBondContact NH2-O 3.13Å; R81-S182 PolarHBondContact NH2-OG 3.12Å; R81-K240 PolarHBondContact O-NZ 3.26Å |
| 82 | I | 91.1 | Very high | 84.6 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 102.5 | -177.6 | -58.3 | 171 | 0 | 0 | 0 | 107.1 | I80 L84 G200 T201 L203 A214 A233 T236 V237 | I80-I82 HydrophobicContact CG2-CG1 4.22Å; I82-L84 HydrophobicContact CG2-CD2 3.89Å; I82-L84 PolarHBondContact O-N 3.2Å; I82-G200 CarbonylContact O-C 3.56Å; I82-G200 WeakPolarHBondContact O-CA 3.25Å; I82-T201 WeakPolarHBondContact CA-O 3.44Å; I82-T201 PolarHBondContact N-O 3.28Å; I82-T201 PolarHBondContact O-N 3.31Å; I82-L203 HydrophobicContact CD1-CB 3.83Å; I82-A214 HydrophobicContact CD1-CB 4.38Å; I82-A233 HydrophobicContact CG2-CB 3.9Å; I82-T236 HydrophobicContact CG1-CG2 4.33Å; I82-T236 HydrophobicContact CG2-CG2 4.49Å; I82-V237 HydrophobicContact CD1-CG2 3.49Å; I82-V237 VanDerWaalsContact CD1-CG2 3.49Å; I82-V237 HydrophobicContact CG1-CG2 4.07Å |
| 83 | P | 89.4 | Confident | 84.5 | Confident | 51 Ų | 51 | 64 Ų | 64 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | trans | -69.4 | 129 | 169.1 | 30.6 | -27.9 | 0 | 0 | 0 | 108.1 | R196 | P83-R196 HydrophobicContact CB-CG 4.07Š| ||
| 84 | L | 91 | Very high | 84.6 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | trans | -102.4 | 144.5 | 174.5 | -64.2 | 179.1 | 0 | 0 | 0 | 109.3 | I82 Q88 T201 V216 N229 A233 | I82-L84 HydrophobicContact CG2-CD2 3.89Å; I82-L84 PolarHBondContact O-N 3.2Å; L84-Q88 HydrophobicContact CD1-CB 4.35Å; L84-T201 VanDerWaalsContact CD1-OG1 3.22Å; L84-T201 WeakPolarHBondContact CD1-OG1 3.1Å; L84-V216 WeakPolarHBondContact CD1-O 3.23Å; L84-V216 HydrophobicContact CD2-CG1 4.29Å; L84-N229 HydrophobicContact CD2-CB 4.24Å; L84-A233 HydrophobicContact CD2-CB 4.2Å | ||
| 85 | P | 88 | Confident | 84.9 | Confident | 64 Ų | 64 | 64.4 Ų | 64.4 | 42% | 0.416 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -66.9 | -39.9 | 172.9 | 24 | -29.7 | 0 | 0 | 0 | 111.7 | E228 N229 A232 | P85-E228 HydrophobicContact CG-CB 4.4Å; P85-N229 WeakPolarHBondContact CD-OD1 3.48Å; P85-N229 VanDerWaalsContact CG-OD1 3.23Å; P85-N229 WeakPolarHBondContact CG-OD1 3.44Å; P85-A232 HydrophobicContact CG-CB 4.22Å |
| 86 | H | 88.6 | Confident | 85.3 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -110.9 | 133.1 | 178.6 | -54.1 | -67.1 | 0 | 0 | 0 | 110.9 | Q88 M221 E225 E228 N229 | H86-Q88 PolarHBondContact O-N 3.33Å; H86-M221 HydrophobicContact CB-CE 4.04Å; H86-E225 HydrophobicContact CB-CB 4.32Å; H86-E228 IonicContact CD2-OE2 3.31Å; H86-E228 IonicContact CE1-OE2 3.79Å; H86-E228 IonicContact NE2-OE2 2.77Å; H86-E228 PolarHBondContact NE2-OE2 3.19Å; H86-N229 WeakPolarHBondContact CB-OD1 3.38Å; H86-N229 PolarHBondContact N-OD1 3.04Å; H86-N229 PolarHBondContact O-ND2 3.4Å; H86-N229 PolarHBondContact O-OD1 3.46Å |
| 87 | G | 81.4 | Confident | 85.6 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | trans | -72.9 | 115.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R89 M221 | G87-R89 PolarHBondContact O-N 3.29Å; G87-M221 WeakPolarHBondContact O-CE 3.32Å | ||
| 88 | Q | 81.2 | Confident | 86 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | trans | -71.5 | -15.7 | -179.4 | 71.8 | -176.7 | -12.5 | 0 | 0 | 114.8 | L84 H86 T201 R215 V216 H218 | L84-Q88 HydrophobicContact CD1-CB 4.35Å; H86-Q88 PolarHBondContact O-N 3.33Å; Q88-T201 PolarHBondContact NE2-OG1 3.01Å; Q88-T201 PolarHBondContact OE1-OG1 3.39Å; Q88-R215 VanDerWaalsContact OE1-CG 3.29Å; Q88-R215 PolarHBondContact OE1-O 3.36Å; Q88-V216 VanDerWaalsContact OE1-N 3.12Å; Q88-H218 PolarHBondContact O-ND1 3.16Å | ||
| 89 | R | 79.9 | Confident | 86.2 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -87.2 | 143 | -170.9 | -68.3 | -171.5 | 176.5 | -91.5 | 6.2 | 110.4 | G87 D93 M154 V198 | G87-R89 PolarHBondContact O-N 3.29Å; R89-D93 HydrophobicContact CB-CB 4.43Å; R89-D93 VanDerWaalsContact CB-OD2 3.22Å; R89-D93 WeakPolarHBondContact CB-OD2 3.33Å; R89-D93 WeakPolarHBondContact CD-OD2 3.23Å; R89-D93 WeakPolarHBondContact CG-OD2 3.37Å; R89-D93 IonicContact CZ-OD2 3.72Å; R89-D93 IonicContact NE-OD2 3.82Å; R89-D93 IonicContact NH1-OD2 2.68Å; R89-D93 PolarHBondContact NH1-OD2 2.9Å; R89-M154 VanDerWaalsContact CZ-SD 3.51Å; R89-M154 PolarHBondContact NE-SD 3.34Å; R89-M154 PolarHBondContact NH2-SD 3.37Å; R89-V198 VanDerWaalsContact CD-O 3.25Å; R89-V198 WeakPolarHBondContact CD-O 3.34Å; R89-V198 PolarHBondContact NE-O 2.76Å |
| 90 | S | 73.5 | Confident | 86.3 | Confident | 49 Ų | 49 | 42.8 Ų | 42.8 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | trans | -76.2 | 159.7 | 171 | 45.8 | 0 | 0 | 0 | 0 | 110.5 | T92 D93 | S90-T92 WeakPolarHBondContact CB-OG1 3.43Å; S90-T92 PolarHBondContact O-N 2.89Å; S90-T92 VanDerWaalsContact O-N 3.16Å; S90-T92 PolarHBondContact OG-OG1 2.99Å; S90-D93 WeakPolarHBondContact O-CB 3.22Å; S90-D93 PolarHBondContact O-N 3.06Å; S90-D93 PolarHBondContact OG-OD1 3.32Å | ||
| 91 | D | 70.5 | Confident | 86.2 | Confident | 167 Ų | 167 | 43.5 Ų | 43.5 | 89% | 0.893 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10.7 | 175.1 | -63.9 | -42 | 0 | 0 | 0 | 112.9 | ||
| 92 | T | 77.7 | Confident | 85.9 | Confident | 96 Ų | 96 | 42.1 Ų | 42.1 | 59% | 0.589 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -13.2 | 175.6 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | S90 E94 | S90-T92 WeakPolarHBondContact CB-OG1 3.43Å; S90-T92 PolarHBondContact O-N 2.89Å; S90-T92 VanDerWaalsContact O-N 3.16Å; S90-T92 PolarHBondContact OG-OG1 2.99Å; T92-E94 PolarHBondContact O-N 3.24Å |
| 93 | D | 81.1 | Confident | 85 | Confident | 35 Ų | 35 | 47.4 Ų | 47.4 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | trans | -64.5 | 119.6 | -176.1 | -89 | 14.1 | 0 | 0 | 0 | 111.3 | R89 S90 | R89-D93 HydrophobicContact CB-CB 4.43Å; R89-D93 VanDerWaalsContact CB-OD2 3.22Å; R89-D93 WeakPolarHBondContact CB-OD2 3.33Å; R89-D93 WeakPolarHBondContact CD-OD2 3.23Å; R89-D93 WeakPolarHBondContact CG-OD2 3.37Å; R89-D93 IonicContact CZ-OD2 3.72Å; R89-D93 IonicContact NE-OD2 3.82Å; R89-D93 IonicContact NH1-OD2 2.68Å; R89-D93 PolarHBondContact NH1-OD2 2.9Å; S90-D93 WeakPolarHBondContact O-CB 3.22Å; S90-D93 PolarHBondContact O-N 3.06Å; S90-D93 PolarHBondContact OG-OD1 3.32Å | ||
| 94 | E | 88.8 | Confident | 84.1 | Confident | 82 Ų | 82 | 56.3 Ų | 56.3 | 38% | 0.383 | 29% | 0.292 | S | S | . | . | trans | -81.4 | 126 | 176.5 | -60.9 | -168.3 | 169.6 | 0 | 0 | 112 | T92 S127 N151 F152 D153 M154 | T92-E94 PolarHBondContact O-N 3.24Å; E94-S127 WeakPolarHBondContact CA-OG 3.14Å; E94-N151 VanDerWaalsContact OE2-O 3.12Å; E94-F152 HydrophobicContact CB-CD1 3.62Å; E94-F152 HydrophobicContact CB-CE1 4.09Å; E94-D153 PolarHBondContact O-N 3.31Å; E94-M154 PolarHBondContact O-N 3.04Å | ||
| 95 | V | 91.1 | Very high | 83.6 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.5 | -179.6 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | N125 S127 E128 M154 L156 | V95-N125 WeakPolarHBondContact CB-O 3.26Å; V95-N125 WeakPolarHBondContact CG2-O 3.41Å; V95-S127 PolarHBondContact N-OG 2.79Å; V95-S127 PolarHBondContact O-N 2.86Å; V95-E128 PolarHBondContact O-N 3.01Å; V95-M154 WeakPolarHBondContact CA-O 3.24Å; V95-M154 HydrophobicContact CG1-CB 4.29Å; V95-M154 HydrophobicContact CG1-CG 4.33Å; V95-M154 HydrophobicContact CG2-CB 4.21Å; V95-L156 HydrophobicContact CG1-CD1 3.61Å; V95-L156 HydrophobicContact CG1-CG 3.85Å |
| 96 | C | 92.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 129.2 | 175.6 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | E128 I130 F152 M154 F155 L156 | C96-E128 CarbonylContact C-O 3.47Å; C96-E128 WeakPolarHBondContact CA-O 3.25Å; C96-I130 VanDerWaalsContact SG-CD1 3.59Å; C96-F152 HydrophobicContact CB-CB 4.14Å; C96-F152 HydrophobicContact CB-CD1 3.66Å; C96-F152 HydrophobicContact CB-CD2 3.84Å; C96-F152 HydrophobicContact CB-CE1 4.04Å; C96-F152 HydrophobicContact CB-CE2 4.19Å; C96-F152 HydrophobicContact CB-CG 3.58Å; C96-F152 HydrophobicContact CB-CZ 4.3Å; C96-M154 PolarHBondContact N-O 2.98Å; C96-F155 HydrophobicContact CB-CD1 3.69Å; C96-F155 HydrophobicContact CB-CE1 3.84Å; C96-F155 CarbonylContact O-C 3.5Å; C96-F155 WeakPolarHBondContact O-CA 3.4Å; C96-L156 PolarHBondContact O-N 3Å |
| 97 | L | 93.1 | Very high | 83.1 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.1 | 175.2 | 177.6 | 66.5 | 0 | 0 | 0 | 111.3 | T99 L118 V126 E128 I129 I130 L156 L185 | L97-T99 HydrophobicContact CD2-CG2 3.84Å; L97-T99 HydrophobicContact CG-CG2 3.86Å; L97-L118 HydrophobicContact CD2-CD1 4.01Å; L97-V126 HydrophobicContact CB-CG1 3.79Å; L97-E128 PolarHBondContact N-O 3.48Å; L97-I129 WeakPolarHBondContact O-CA 3.47Å; L97-I130 PolarHBondContact O-N 3.43Å; L97-L156 HydrophobicContact CB-CB 4.49Å; L97-L156 HydrophobicContact CD1-CB 3.61Å; L97-L185 HydrophobicContact CD2-CD2 4.15Å |
| 98 | F | 93.9 | Very high | 83.3 | Confident | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 124 | 169.1 | -61.2 | -60.4 | 0 | 0 | 0 | 111.1 | I130 L135 L148 F155 L156 S157 D158 I161 L165 L169 P180 | F98-I130 WeakPolarHBondContact CA-O 3.25Å; F98-I130 HydrophobicContact CD1-CB 3.91Å; F98-I130 HydrophobicContact CD1-CG2 4.22Å; F98-I130 HydrophobicContact CE1-CB 4Å; F98-I130 HydrophobicContact CE1-CD1 4.2Å; F98-I130 HydrophobicContact CE1-CG2 4.19Å; F98-L135 HydrophobicContact CD1-CD1 4.43Å; F98-L135 HydrophobicContact CD1-CD2 4.05Å; F98-L135 HydrophobicContact CE1-CD1 3.77Å; F98-L135 HydrophobicContact CE1-CD2 4.09Å; F98-L135 HydrophobicContact CZ-CD1 4.4Å; F98-L148 HydrophobicContact CE1-CD2 4.34Å; F98-L148 HydrophobicContact CZ-CD2 4.12Å; F98-F155 HydrophobicContact CE2-CB 4.01Å; F98-F155 AromaticContact CE2-CD1 3.56Å; F98-F155 HydrophobicContact CE2-CD1 3.56Å; F98-F155 HydrophobicContact CE2-CE1 4.45Å; F98-F155 HydrophobicContact CE2-CG 4.09Å; F98-F155 AromaticContact CZ-CD1 3.68Å; F98-F155 HydrophobicContact CZ-CD1 3.68Å; F98-F155 HydrophobicContact CZ-CE1 4.16Å; F98-L156 WeakPolarHBondContact CD2-O 2.92Å; F98-L156 PolarHBondContact N-O 3.37Å; F98-S157 CarbonylContact O-C 3.57Å; F98-S157 WeakPolarHBondContact O-CA 3.12Å; F98-D158 PolarHBondContact O-N 3.15Å; F98-I161 VanDerWaalsContact C-CD1 3.44Å; F98-I161 HydrophobicContact CB-CD1 3.46Å; F98-I161 VanDerWaalsContact CB-CD1 3.46Å; F98-I161 VanDerWaalsContact O-CD1 3.25Å; F98-I161 WeakPolarHBondContact O-CD1 3.36Å; F98-L165 HydrophobicContact CB-CD2 4.21Å; F98-L165 HydrophobicContact CD2-CD2 4.15Å; F98-L165 HydrophobicContact CG-CD2 4.15Å; F98-L169 HydrophobicContact CE1-CD2 4.48Å; F98-L169 HydrophobicContact CE2-CD1 4.11Å; F98-L169 HydrophobicContact CE2-CD2 4.14Å; F98-L169 HydrophobicContact CZ-CD2 3.79Å; F98-P180 HydrophobicContact CD2-CB 4.16Å; F98-P180 HydrophobicContact CD2-CG 3.97Å; F98-P180 HydrophobicContact CE2-CB 4.4Å; F98-P180 HydrophobicContact CE2-CG 3.82Å |
| 99 | T | 92.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 158.4 | -178.1 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | L97 Y114 I129 I130 L132 L185 | L97-T99 HydrophobicContact CD2-CG2 3.84Å; L97-T99 HydrophobicContact CG-CG2 3.86Å; T99-Y114 HydrophobicContact CG2-CD1 4.21Å; T99-Y114 HydrophobicContact CG2-CD2 3.71Å; T99-Y114 HydrophobicContact CG2-CE1 4.44Å; T99-Y114 HydrophobicContact CG2-CE2 3.98Å; T99-Y114 HydrophobicContact CG2-CG 3.85Å; T99-I129 HydrophobicContact CG2-CG2 3.59Å; T99-I130 PolarHBondContact N-O 2.88Å; T99-I130 VanDerWaalsContact N-O 3.12Å; T99-L132 PolarHBondContact O-N 3.08Å; T99-L185 HydrophobicContact CG2-CD1 4.04Å |
| 100 | K | 90.2 | Very high | 83.8 | Confident | 84 Ų | 84 | 65.2 Ų | 65.2 | 37% | 0.365 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 138.3 | 169 | -168.6 | -167 | 170.8 | -168.8 | 0 | 109 | Y114 R160 I161 | K100-Y114 WeakPolarHBondContact O-CE2 3.49Å; K100-Y114 PolarHBondContact O-OH 3.47Å; K100-R160 HydrophobicContact CD-CB 4.4Å; K100-I161 HydrophobicContact CB-CG2 3.77Å; K100-I161 HydrophobicContact CG-CG2 4.09Å |
| 101 | D | 85.6 | Confident | 84.5 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 133.9 | 169.6 | -51 | -63.7 | 0 | 0 | 0 | 110.7 | P131 L132 N133 | D101-P131 WeakPolarHBondContact OD1-CB 3.34Å; D101-L132 PolarHBondContact OD1-N 3.28Å; D101-L132 WeakPolarHBondContact OD2-CB 3.47Å; D101-N133 WeakPolarHBondContact OD1-CB 3.46Å; D101-N133 PolarHBondContact OD1-N 2.85Å; D101-N133 VanDerWaalsContact OD1-N 3.1Å; D101-N133 PolarHBondContact OD1-ND2 2.99Å; D101-N133 PolarHBondContact OD2-N 3.4Å; D101-N133 PolarHBondContact OD2-ND2 3.38Å; D101-N133 PolarHBondContact OD2-OD1 2.85Å |
| 102 | E | 83.8 | Confident | 85.3 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 125.5 | 171.1 | -167.6 | 58.7 | -139.7 | 0 | 0 | 108.8 | R104 M105 | E102-R104 PolarHBondContact O-N 2.9Å; E102-M105 PolarHBondContact O-N 2.88Å; E102-M105 VanDerWaalsContact O-N 3.08Å |
| 103 | P | 71.3 | Confident | 85.9 | Confident | 112 Ų | 112 | 66.3 Ų | 66.3 | 73% | 0.727 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -10.4 | -170.3 | 19.1 | -35.1 | 0 | 0 | 0 | 116.8 | ||
| 104 | R | 70.4 | Confident | 86.2 | Confident | 239 Ų | 239 | 64.8 Ų | 64.8 | 90% | 0.902 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | 3.9 | -179.8 | -65.2 | -175.6 | 179.6 | 164.8 | -0.2 | 114.2 | E102 | E102-R104 PolarHBondContact O-N 2.9Š|
| 105 | M | 81.1 | Confident | 86.2 | Confident | 80 Ų | 80 | 66.8 Ų | 66.8 | 39% | 0.394 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -125 | 147.7 | -173.1 | -67.2 | -174.1 | -177.5 | 0 | 0 | 112.3 | E102 Q109 F113 | E102-M105 PolarHBondContact O-N 2.88Å; E102-M105 VanDerWaalsContact O-N 3.08Å; M105-Q109 HydrophobicContact CB-CB 4.01Å; M105-Q109 HydrophobicContact CG-CB 4.46Å; M105-F113 HydrophobicContact SD-CB 4.33Å |
| 106 | S | 85.1 | Confident | 86.1 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | trans | -66.3 | 163.3 | 167.1 | -177.4 | 0 | 0 | 0 | 0 | 111 | E108 Q109 T110 | S106-E108 VanDerWaalsContact C-N 3.32Å; S106-E108 PolarHBondContact O-N 3.31Å; S106-Q109 PolarHBondContact O-N 2.81Å; S106-T110 WeakPolarHBondContact O-CB 3.31Å; S106-T110 PolarHBondContact O-N 3.44Å; S106-T110 PolarHBondContact O-OG1 3.15Å | ||
| 107 | A | 81.7 | Confident | 85.9 | Confident | 24 Ų | 24 | 74 Ų | 74 | 20% | 0.198 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.4 | -45.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q109 T110 Q111 P131 T134 | A107-Q109 PolarHBondContact O-N 2.75Å; A107-T110 WeakPolarHBondContact O-CB 3.27Å; A107-T110 PolarHBondContact O-N 3.2Å; A107-Q111 WeakPolarHBondContact O-CG 3.21Å; A107-Q111 PolarHBondContact O-N 2.9Å; A107-P131 HydrophobicContact CB-CG 3.86Å; A107-T134 WeakPolarHBondContact CB-OG1 3.34Å |
| 108 | E | 84.8 | Confident | 85.6 | Confident | 121 Ų | 121 | 74.3 Ų | 74.3 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.5 | -38.3 | 178.3 | -62.3 | -179.2 | -175.1 | 0 | 0 | 112.7 | S106 T110 Q111 R112 | S106-E108 VanDerWaalsContact C-N 3.32Å; S106-E108 PolarHBondContact O-N 3.31Å; E108-T110 VanDerWaalsContact C-N 3.33Å; E108-Q111 WeakPolarHBondContact O-CB 3.48Å; E108-Q111 PolarHBondContact O-N 2.77Å; E108-R112 WeakPolarHBondContact O-CG 3.31Å; E108-R112 PolarHBondContact O-N 2.88Å |
| 109 | Q | 85.9 | Confident | 85.3 | Confident | 107 Ų | 107 | 80.1 Ų | 80.1 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 176.8 | -70 | 173.9 | -19.9 | 0 | 0 | 110.8 | M105 S106 A107 Q111 R112 F113 | M105-Q109 HydrophobicContact CB-CB 4.01Å; M105-Q109 HydrophobicContact CG-CB 4.46Å; S106-Q109 PolarHBondContact O-N 2.81Å; A107-Q109 PolarHBondContact O-N 2.75Å; Q109-Q111 VanDerWaalsContact C-N 3.34Å; Q109-Q111 PolarHBondContact O-N 3.19Å; Q109-R112 PolarHBondContact O-N 2.84Å; Q109-F113 WeakPolarHBondContact O-CB 3.34Å; Q109-F113 PolarHBondContact O-N 3.04Å |
| 110 | T | 86.1 | Confident | 85.1 | Confident | 1 Ų | 1 | 86.2 Ų | 86.2 | 1% | 0.006 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.1 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | S106 A107 E108 F113 Y114 P131 | S106-T110 WeakPolarHBondContact O-CB 3.31Å; S106-T110 PolarHBondContact O-N 3.44Å; S106-T110 PolarHBondContact O-OG1 3.15Å; A107-T110 WeakPolarHBondContact O-CB 3.27Å; A107-T110 PolarHBondContact O-N 3.2Å; E108-T110 VanDerWaalsContact C-N 3.33Å; T110-F113 PolarHBondContact O-N 3.49Å; T110-Y114 HydrophobicContact CG2-CD2 3.66Å; T110-Y114 HydrophobicContact CG2-CE2 3.48Å; T110-Y114 VanDerWaalsContact CG2-CE2 3.48Å; T110-Y114 WeakPolarHBondContact O-CD2 3.43Å; T110-Y114 PolarHBondContact O-N 3.28Å; T110-P131 HydrophobicContact CG2-CB 4.28Å |
| 111 | Q | 87.7 | Confident | 84.8 | Confident | 59 Ų | 59 | 85.7 Ų | 85.7 | 28% | 0.276 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 174.4 | -71.3 | 174.1 | -19.9 | 0 | 0 | 111.9 | A107 E108 Q109 F113 Y114 K115 I129 P131 | A107-Q111 WeakPolarHBondContact O-CG 3.21Å; A107-Q111 PolarHBondContact O-N 2.9Å; E108-Q111 WeakPolarHBondContact O-CB 3.48Å; E108-Q111 PolarHBondContact O-N 2.77Å; Q109-Q111 VanDerWaalsContact C-N 3.34Å; Q109-Q111 PolarHBondContact O-N 3.19Å; Q111-F113 VanDerWaalsContact C-N 3.32Å; Q111-F113 PolarHBondContact O-N 2.91Å; Q111-Y114 PolarHBondContact O-N 3.3Å; Q111-K115 WeakPolarHBondContact O-CB 3.18Å; Q111-K115 PolarHBondContact O-N 3.18Å; Q111-I129 WeakPolarHBondContact CG-O 3.31Å; Q111-I129 PolarHBondContact NE2-O 3.19Å; Q111-P131 HydrophobicContact CG-CG 4.1Å |
| 112 | R | 87.9 | Confident | 84.5 | Confident | 181 Ų | 181 | 87.1 Ų | 87.1 | 68% | 0.683 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.4 | -41 | 178.3 | -68.8 | 176.4 | -170.2 | -167.3 | 4.7 | 112.1 | E108 Q109 K115 K116 | E108-R112 WeakPolarHBondContact O-CG 3.31Å; E108-R112 PolarHBondContact O-N 2.88Å; Q109-R112 PolarHBondContact O-N 2.84Å; R112-K115 PolarHBondContact O-N 2.77Å; R112-K116 PolarHBondContact O-N 3.23Å |
| 113 | F | 89.2 | Confident | 84.3 | Confident | 94 Ų | 94 | 84.2 Ų | 84.2 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 176.8 | 174.9 | -99.9 | 0 | 0 | 0 | 111.6 | M105 Q109 T110 Q111 K115 K116 L117 | M105-F113 HydrophobicContact SD-CB 4.33Å; Q109-F113 WeakPolarHBondContact O-CB 3.34Å; Q109-F113 PolarHBondContact O-N 3.04Å; T110-F113 PolarHBondContact O-N 3.49Å; Q111-F113 VanDerWaalsContact C-N 3.32Å; Q111-F113 PolarHBondContact O-N 2.91Å; F113-K115 VanDerWaalsContact C-N 3.34Å; F113-K115 PolarHBondContact O-N 3.23Å; F113-K116 PolarHBondContact O-N 3.46Å; F113-L117 WeakPolarHBondContact O-CB 3.2Å; F113-L117 PolarHBondContact O-N 3.29Å |
| 114 | Y | 88.1 | Confident | 84.3 | Confident | 3 Ų | 3 | 89.8 Ų | 89.8 | 1% | 0.012 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69 | -32.7 | 178.6 | -76.3 | -67.7 | 0 | 0 | 0 | 112.6 | T99 K100 T110 Q111 L117 L118 R160 L185 | T99-Y114 HydrophobicContact CG2-CD1 4.21Å; T99-Y114 HydrophobicContact CG2-CD2 3.71Å; T99-Y114 HydrophobicContact CG2-CE1 4.44Å; T99-Y114 HydrophobicContact CG2-CE2 3.98Å; T99-Y114 HydrophobicContact CG2-CG 3.85Å; K100-Y114 WeakPolarHBondContact O-CE2 3.49Å; K100-Y114 PolarHBondContact O-OH 3.47Å; T110-Y114 HydrophobicContact CG2-CD2 3.66Å; T110-Y114 HydrophobicContact CG2-CE2 3.48Å; T110-Y114 VanDerWaalsContact CG2-CE2 3.48Å; T110-Y114 WeakPolarHBondContact O-CD2 3.43Å; T110-Y114 PolarHBondContact O-N 3.28Å; Q111-Y114 PolarHBondContact O-N 3.3Å; Y114-L117 HydrophobicContact CD1-CD2 4.02Å; Y114-L117 HydrophobicContact CE1-CD2 4.34Å; Y114-L117 PolarHBondContact O-N 2.8Å; Y114-L118 WeakPolarHBondContact O-CB 3.39Å; Y114-L118 WeakPolarHBondContact O-CG 3.27Å; Y114-L118 PolarHBondContact O-N 2.76Å; Y114-R160 PolarHBondContact OH-NH2 3.28Å; Y114-L185 HydrophobicContact CD1-CD1 4.36Å; Y114-L185 HydrophobicContact CE1-CD1 3.95Å |
| 115 | K | 89.4 | Confident | 84.7 | Confident | 125 Ų | 125 | 82.3 Ų | 82.3 | 54% | 0.543 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 173.8 | -171.3 | 174.3 | -179.9 | 177.2 | 0 | 110.9 | Q111 R112 F113 L117 L118 E119 I129 | Q111-K115 WeakPolarHBondContact O-CB 3.18Å; Q111-K115 PolarHBondContact O-N 3.18Å; R112-K115 PolarHBondContact O-N 2.77Å; F113-K115 VanDerWaalsContact C-N 3.34Å; F113-K115 PolarHBondContact O-N 3.23Å; K115-L117 PolarHBondContact O-N 2.95Å; K115-L118 PolarHBondContact O-N 3.21Å; K115-E119 WeakPolarHBondContact CE-OE1 3.38Å; K115-E119 WeakPolarHBondContact O-CG 3.49Å; K115-E119 PolarHBondContact O-N 2.84Å; K115-I129 HydrophobicContact CB-CD1 4Å |
| 116 | K | 89.6 | Confident | 84.8 | Confident | 129 Ų | 129 | 79.9 Ų | 79.9 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61 | -43.3 | 174.8 | -166.5 | -175.8 | -178.5 | -168.2 | 0 | 112.1 | R112 F113 L118 E119 E120 | R112-K116 PolarHBondContact O-N 3.23Å; F113-K116 PolarHBondContact O-N 3.46Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 3.43Å; K116-E119 PolarHBondContact O-N 3.48Å; K116-E120 WeakPolarHBondContact CE-OE1 3.43Å; K116-E120 IonicContact NZ-OE1 3.85Å; K116-E120 WeakPolarHBondContact O-CB 3.38Å; K116-E120 WeakPolarHBondContact O-CG 3.42Å; K116-E120 PolarHBondContact O-N 3.05Å |
| 117 | L | 86.9 | Confident | 84.9 | Confident | 25 Ų | 25 | 80 Ų | 80 | 13% | 0.131 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 177.8 | -172.6 | 71.5 | 0 | 0 | 0 | 112.5 | F113 Y114 K115 R121 | F113-L117 WeakPolarHBondContact O-CB 3.2Å; F113-L117 PolarHBondContact O-N 3.29Å; Y114-L117 HydrophobicContact CD1-CD2 4.02Å; Y114-L117 HydrophobicContact CE1-CD2 4.34Å; Y114-L117 PolarHBondContact O-N 2.8Å; K115-L117 PolarHBondContact O-N 2.95Å; L117-R121 WeakPolarHBondContact O-CB 3.39Å; L117-R121 WeakPolarHBondContact O-CD 3.39Å; L117-R121 VanDerWaalsContact O-CG 3.23Å; L117-R121 WeakPolarHBondContact O-CG 3.45Å; L117-R121 PolarHBondContact O-N 3.19Å |
| 118 | L | 87.3 | Confident | 85.3 | Confident | 8 Ų | 8 | 82.2 Ų | 82.2 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.6 | -40.5 | 177.2 | -71.8 | 170.8 | 0 | 0 | 0 | 111.3 | L97 Y114 K115 K116 R121 G122 V123 V126 I129 L190 | L97-L118 HydrophobicContact CD2-CD1 4.01Å; Y114-L118 WeakPolarHBondContact O-CB 3.39Å; Y114-L118 WeakPolarHBondContact O-CG 3.27Å; Y114-L118 PolarHBondContact O-N 2.76Å; K115-L118 PolarHBondContact O-N 3.21Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 3.43Å; L118-R121 CarbonylContact O-C 3.45Å; L118-R121 PolarHBondContact O-N 3.47Å; L118-G122 PolarHBondContact O-N 2.97Å; L118-V123 HydrophobicContact CB-CB 4.18Å; L118-V123 HydrophobicContact CD2-CB 3.86Å; L118-V123 HydrophobicContact CD2-CG1 4.01Å; L118-V123 HydrophobicContact CD2-CG2 4.02Å; L118-V123 PolarHBondContact O-N 2.79Å; L118-V126 HydrophobicContact CD1-CB 4.17Å; L118-V126 HydrophobicContact CD1-CG1 4.17Å; L118-V126 HydrophobicContact CD1-CG2 4.26Å; L118-I129 HydrophobicContact CD1-CD1 3.68Å; L118-I129 HydrophobicContact CD1-CG1 4.29Å; L118-L190 HydrophobicContact CD2-CD2 3.82Å |
| 119 | E | 87.6 | Confident | 85.7 | Confident | 123 Ų | 123 | 77.3 Ų | 77.3 | 58% | 0.575 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.3 | -48 | 174.8 | -72.2 | 168.8 | -168.3 | 0 | 0 | 111.4 | K115 K116 R121 G122 | K115-E119 WeakPolarHBondContact CE-OE1 3.38Å; K115-E119 WeakPolarHBondContact O-CG 3.49Å; K115-E119 PolarHBondContact O-N 2.84Å; K116-E119 PolarHBondContact O-N 3.48Å; E119-R121 PolarHBondContact O-N 3.06Å; E119-G122 PolarHBondContact O-N 2.87Å |
| 120 | E | 87.9 | Confident | 86 | Confident | 129 Ų | 129 | 72.2 Ų | 72.2 | 60% | 0.603 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.6 | -33.8 | 176.3 | -74.3 | 172.7 | -174.2 | 0 | 0 | 112.4 | K116 | K116-E120 WeakPolarHBondContact CE-OE1 3.43Å; K116-E120 IonicContact NZ-OE1 3.85Å; K116-E120 WeakPolarHBondContact O-CB 3.38Å; K116-E120 WeakPolarHBondContact O-CG 3.42Å; K116-E120 PolarHBondContact O-N 3.05Å |
| 121 | R | 84.1 | Confident | 86.3 | Confident | 73 Ų | 73 | 72.2 Ų | 72.2 | 28% | 0.275 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 4 | -179.9 | -65.5 | 173.7 | -178.9 | -109.9 | 18.7 | 113.5 | L117 L118 E119 S187 N188 | L117-R121 WeakPolarHBondContact O-CB 3.39Å; L117-R121 WeakPolarHBondContact O-CD 3.39Å; L117-R121 VanDerWaalsContact O-CG 3.23Å; L117-R121 WeakPolarHBondContact O-CG 3.45Å; L117-R121 PolarHBondContact O-N 3.19Å; L118-R121 CarbonylContact O-C 3.45Å; L118-R121 PolarHBondContact O-N 3.47Å; E119-R121 PolarHBondContact O-N 3.06Å; R121-S187 PolarHBondContact NH1-O 3.46Å; R121-N188 PolarHBondContact NH1-O 3.12Å |
| 122 | G | 78.9 | Confident | 86.5 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 55% | 0.546 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 22.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L118 E119 | L118-G122 PolarHBondContact O-N 2.97Å; E119-G122 PolarHBondContact O-N 2.87Å |
| 123 | V | 80 | Confident | 86.6 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 9% | 0.085 | 32% | 0.315 | C | S | . | . | trans | -88.8 | 111.9 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | L118 V126 L190 V194 | L118-V123 HydrophobicContact CB-CB 4.18Å; L118-V123 HydrophobicContact CD2-CB 3.86Å; L118-V123 HydrophobicContact CD2-CG1 4.01Å; L118-V123 HydrophobicContact CD2-CG2 4.02Å; L118-V123 PolarHBondContact O-N 2.79Å; V123-V126 HydrophobicContact CG1-CG2 3.76Å; V123-L190 HydrophobicContact CG2-CG 4.37Å; V123-V194 HydrophobicContact CG1-CB 4.27Å; V123-V194 HydrophobicContact CG1-CG1 3.74Å; V123-V194 HydrophobicContact CG1-CG2 4.43Å; V123-V194 HydrophobicContact CG2-CB 4.23Å; V123-V194 HydrophobicContact CG2-CG2 4.16Å | ||
| 124 | R | 70.7 | Confident | 86.7 | Confident | 230 Ų | 230 | 60.8 Ų | 60.8 | 87% | 0.868 | 30% | 0.3 | S | S | * | . | trans | -100.7 | -19.4 | -179.9 | -63 | -179.3 | -178.3 | 169.8 | -0.2 | 114.2 | V126 | R124-V126 VanDerWaalsContact C-N 3.32Å; R124-V126 PolarHBondContact O-N 2.89Å | ||
| 125 | N | 78.2 | Confident | 86.9 | Confident | 81 Ų | 81 | 61 Ų | 61 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | trans | -89.8 | 27.8 | -168.5 | -53.3 | 82.5 | 0 | 0 | 0 | 114.1 | V95 V198 | V95-N125 WeakPolarHBondContact CB-O 3.26Å; V95-N125 WeakPolarHBondContact CG2-O 3.41Å; N125-V198 HydrophobicContact CB-CG2 4.46Å | ||
| 126 | V | 84.3 | Confident | 86.9 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | trans | -115.6 | 113.8 | 178.1 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | L97 L118 V123 R124 I129 | L97-V126 HydrophobicContact CB-CG1 3.79Å; L118-V126 HydrophobicContact CD1-CB 4.17Å; L118-V126 HydrophobicContact CD1-CG1 4.17Å; L118-V126 HydrophobicContact CD1-CG2 4.26Å; V123-V126 HydrophobicContact CG1-CG2 3.76Å; R124-V126 VanDerWaalsContact C-N 3.32Å; R124-V126 PolarHBondContact O-N 2.89Å; V126-I129 HydrophobicContact CG1-CG1 4.08Å | ||
| 127 | S | 87.4 | Confident | 87 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | trans | -79.8 | -49.1 | -175.9 | -47.7 | 0 | 0 | 0 | 0 | 111.6 | E94 V95 | E94-S127 WeakPolarHBondContact CA-OG 3.14Å; V95-S127 PolarHBondContact N-OG 2.79Å; V95-S127 PolarHBondContact O-N 2.86Å | ||
| 128 | E | 89.9 | Confident | 87.2 | Confident | 70 Ų | 70 | 65.2 Ų | 65.2 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 142.1 | -177.2 | -163.2 | 176.8 | 138 | 0 | 0 | 112 | V95 C96 L97 I130 F152 | V95-E128 PolarHBondContact O-N 3.01Å; C96-E128 CarbonylContact C-O 3.47Å; C96-E128 WeakPolarHBondContact CA-O 3.25Å; L97-E128 PolarHBondContact N-O 3.48Å; E128-I130 HydrophobicContact CG-CG1 4.13Å; E128-I130 WeakPolarHBondContact OE1-CD1 3.45Å; E128-I130 WeakPolarHBondContact OE1-CG1 3.14Å; E128-F152 HydrophobicContact CB-CE1 3.76Å; E128-F152 HydrophobicContact CB-CZ 3.5Å; E128-F152 VanDerWaalsContact CB-CZ 3.5Å; E128-F152 HydrophobicContact CG-CZ 4.26Å; E128-F152 VanDerWaalsContact OE2-CZ 3.27Å; E128-F152 WeakPolarHBondContact OE2-CZ 3.34Å |
| 129 | I | 92.1 | Very high | 87.4 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 9% | 0.092 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 116.6 | 176.2 | -55.5 | 172.8 | 0 | 0 | 0 | 108 | L97 T99 Q111 K115 L118 V126 | L97-I129 WeakPolarHBondContact O-CA 3.47Å; T99-I129 HydrophobicContact CG2-CG2 3.59Å; Q111-I129 WeakPolarHBondContact CG-O 3.31Å; Q111-I129 PolarHBondContact NE2-O 3.19Å; K115-I129 HydrophobicContact CB-CD1 4Å; L118-I129 HydrophobicContact CD1-CD1 3.68Å; L118-I129 HydrophobicContact CD1-CG1 4.29Å; V126-I129 HydrophobicContact CG1-CG1 4.08Å |
| 130 | I | 92.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 110.9 | -178.5 | -57.3 | -178.6 | 0 | 0 | 0 | 109.1 | C96 L97 F98 T99 E128 T134 L135 Y139 L148 | C96-I130 VanDerWaalsContact SG-CD1 3.59Å; L97-I130 PolarHBondContact O-N 3.43Å; F98-I130 WeakPolarHBondContact CA-O 3.25Å; F98-I130 HydrophobicContact CD1-CB 3.91Å; F98-I130 HydrophobicContact CD1-CG2 4.22Å; F98-I130 HydrophobicContact CE1-CB 4Å; F98-I130 HydrophobicContact CE1-CD1 4.2Å; F98-I130 HydrophobicContact CE1-CG2 4.19Å; T99-I130 PolarHBondContact N-O 2.88Å; T99-I130 VanDerWaalsContact N-O 3.12Å; E128-I130 HydrophobicContact CG-CG1 4.13Å; E128-I130 WeakPolarHBondContact OE1-CD1 3.45Å; E128-I130 WeakPolarHBondContact OE1-CG1 3.14Å; I130-T134 HydrophobicContact CG2-CG2 4.33Å; I130-L135 HydrophobicContact CG2-CB 4.12Å; I130-L135 HydrophobicContact CG2-CD1 4.44Å; I130-Y139 HydrophobicContact CD1-CE2 4.15Å; I130-Y139 HydrophobicContact CG2-CE2 4.25Å; I130-L148 HydrophobicContact CD1-CD1 3.52Å; I130-L148 HydrophobicContact CD1-CD2 4.46Å |
| 131 | P | 92.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 155 | 175.1 | 31.9 | -33.6 | 0 | 0 | 0 | 110.6 | D101 A107 T110 Q111 N133 T134 L135 | D101-P131 WeakPolarHBondContact OD1-CB 3.34Å; A107-P131 HydrophobicContact CB-CG 3.86Å; T110-P131 HydrophobicContact CG2-CB 4.28Å; Q111-P131 HydrophobicContact CG-CG 4.1Å; P131-N133 VanDerWaalsContact C-N 3.28Å; P131-N133 PolarHBondContact O-N 3.49Å; P131-T134 WeakPolarHBondContact CG-OG1 3.4Å; P131-T134 PolarHBondContact O-N 3.18Å; P131-L135 PolarHBondContact O-N 2.81Å |
| 132 | L | 91.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.5 | -31.5 | -172 | 178.9 | 67.3 | 0 | 0 | 0 | 112.7 | T99 D101 L135 K136 I161 L164 | T99-L132 PolarHBondContact O-N 3.08Å; D101-L132 PolarHBondContact OD1-N 3.28Å; D101-L132 WeakPolarHBondContact OD2-CB 3.47Å; L132-L135 HydrophobicContact CD1-CD2 4.3Å; L132-L135 PolarHBondContact O-N 3.5Å; L132-K136 HydrophobicContact CG-CD 4.4Å; L132-K136 VanDerWaalsContact O-CG 3.31Å; L132-K136 WeakPolarHBondContact O-CG 3.48Å; L132-K136 PolarHBondContact O-N 3.35Å; L132-I161 HydrophobicContact CD2-CG2 4.23Å; L132-L164 HydrophobicContact CD2-CD1 3.82Å |
| 133 | N | 90.5 | Very high | 88.7 | Confident | 71 Ų | 71 | 71.2 Ų | 71.2 | 38% | 0.38 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.1 | -77.8 | -27.6 | 0 | 0 | 0 | 112.7 | D101 P131 K136 K137 | D101-N133 WeakPolarHBondContact OD1-CB 3.46Å; D101-N133 PolarHBondContact OD1-N 2.85Å; D101-N133 VanDerWaalsContact OD1-N 3.1Å; D101-N133 PolarHBondContact OD1-ND2 2.99Å; D101-N133 PolarHBondContact OD2-N 3.4Å; D101-N133 PolarHBondContact OD2-ND2 3.38Å; D101-N133 PolarHBondContact OD2-OD1 2.85Å; P131-N133 VanDerWaalsContact C-N 3.28Å; P131-N133 PolarHBondContact O-N 3.49Å; N133-K136 PolarHBondContact O-N 2.81Å; N133-K137 WeakPolarHBondContact O-CG 3.39Å; N133-K137 PolarHBondContact O-N 2.77Å; N133-K137 VanDerWaalsContact O-N 3.16Å |
| 134 | T | 91.9 | Very high | 89.3 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 9% | 0.086 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 110.5 | A107 I130 P131 K136 K137 E138 Y139 | A107-T134 WeakPolarHBondContact CB-OG1 3.34Å; I130-T134 HydrophobicContact CG2-CG2 4.33Å; P131-T134 WeakPolarHBondContact CG-OG1 3.4Å; P131-T134 PolarHBondContact O-N 3.18Å; T134-K136 PolarHBondContact O-N 3.29Å; T134-K137 PolarHBondContact O-N 3.16Å; T134-K137 VanDerWaalsContact O-N 3.15Å; T134-E138 HydrophobicContact CG2-CB 4.47Å; T134-E138 HydrophobicContact CG2-CG 4.36Å; T134-E138 VanDerWaalsContact CG2-OE2 3.23Å; T134-E138 WeakPolarHBondContact CG2-OE2 3.39Å; T134-E138 PolarHBondContact O-N 3.06Å; T134-Y139 HydrophobicContact CG2-CE2 4.27Å |
| 135 | L | 91.8 | Very high | 90.3 | Very high | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57 | -36.6 | 176.5 | -170.8 | 67.1 | 0 | 0 | 0 | 112.8 | F98 I130 P131 L132 Y139 L148 L165 H168 L169 | F98-L135 HydrophobicContact CD1-CD1 4.43Å; F98-L135 HydrophobicContact CD1-CD2 4.05Å; F98-L135 HydrophobicContact CE1-CD1 3.77Å; F98-L135 HydrophobicContact CE1-CD2 4.09Å; F98-L135 HydrophobicContact CZ-CD1 4.4Å; I130-L135 HydrophobicContact CG2-CB 4.12Å; I130-L135 HydrophobicContact CG2-CD1 4.44Å; P131-L135 PolarHBondContact O-N 2.81Å; L132-L135 HydrophobicContact CD1-CD2 4.3Å; L132-L135 PolarHBondContact O-N 3.5Å; L135-Y139 HydrophobicContact CD1-CD2 4.19Å; L135-Y139 HydrophobicContact CD1-CG 4.23Å; L135-L148 HydrophobicContact CD1-CD2 4.15Å; L135-L165 HydrophobicContact CD2-CD2 4.05Å; L135-H168 HydrophobicContact CD2-CB 4.26Å; L135-L169 HydrophobicContact CD1-CD2 4.04Å; L135-L169 HydrophobicContact CD2-CD2 4.23Å |
| 136 | K | 90.2 | Very high | 90.9 | Very high | 82 Ų | 82 | 65.3 Ų | 65.3 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -74.7 | -34.4 | 179.1 | -75.8 | 170.8 | 179 | 172.6 | 0 | 113.7 | L132 N133 T134 H168 | L132-K136 HydrophobicContact CG-CD 4.4Å; L132-K136 VanDerWaalsContact O-CG 3.31Å; L132-K136 WeakPolarHBondContact O-CG 3.48Å; L132-K136 PolarHBondContact O-N 3.35Å; N133-K136 PolarHBondContact O-N 2.81Å; T134-K136 PolarHBondContact O-N 3.29Å; K136-H168 WeakPolarHBondContact CE-NE2 3.34Å |
| 137 | K | 91 | Very high | 91.3 | Very high | 170 Ų | 170 | 71 Ų | 71 | 74% | 0.739 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -88.5 | -56.9 | -175 | -69.6 | -179.4 | 179.9 | -176.9 | 0 | 111.5 | N133 T134 | N133-K137 WeakPolarHBondContact O-CG 3.39Å; N133-K137 PolarHBondContact O-N 2.77Å; N133-K137 VanDerWaalsContact O-N 3.16Å; T134-K137 PolarHBondContact O-N 3.16Å; T134-K137 VanDerWaalsContact O-N 3.15Å |
| 138 | E | 91.1 | Very high | 91.5 | Very high | 117 Ų | 117 | 67.7 Ų | 67.7 | 55% | 0.547 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -37.8 | -170 | -70.1 | 171.1 | -157.1 | 0 | 0 | 112.7 | T134 P141 | T134-E138 HydrophobicContact CG2-CB 4.47Å; T134-E138 HydrophobicContact CG2-CG 4.36Å; T134-E138 VanDerWaalsContact CG2-OE2 3.23Å; T134-E138 WeakPolarHBondContact CG2-OE2 3.39Å; T134-E138 PolarHBondContact O-N 3.06Å; E138-P141 VanDerWaalsContact O-CD 3.25Å; E138-P141 WeakPolarHBondContact O-CD 3.43Å |
| 139 | Y | 90.7 | Very high | 91.6 | Very high | 40 Ų | 40 | 65.5 Ų | 65.5 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 20 | -176.3 | -60.3 | -87.7 | 0 | 0 | 0 | 113.2 | I130 T134 L135 A144 K145 L148 | I130-Y139 HydrophobicContact CD1-CE2 4.15Å; I130-Y139 HydrophobicContact CG2-CE2 4.25Å; T134-Y139 HydrophobicContact CG2-CE2 4.27Å; L135-Y139 HydrophobicContact CD1-CD2 4.19Å; L135-Y139 HydrophobicContact CD1-CG 4.23Å; Y139-A144 HydrophobicContact CD1-CB 4.05Å; Y139-K145 WeakPolarHBondContact O-CE 3.37Å; Y139-K145 WeakPolarHBondContact O-CG 3.25Å; Y139-L148 HydrophobicContact CD1-CB 3.93Å; Y139-L148 HydrophobicContact CD1-CD1 4.43Å; Y139-L148 HydrophobicContact CD1-CD2 3.92Å; Y139-L148 HydrophobicContact CD1-CG 4.32Å; Y139-L148 HydrophobicContact CE1-CB 3.87Å; Y139-L148 HydrophobicContact CE1-CD1 3.83Å; Y139-L148 HydrophobicContact CE1-CD2 4.14Å; Y139-L148 HydrophobicContact CE1-CG 4.17Å; Y139-L148 HydrophobicContact CG-CD2 4.29Å |
| 140 | K | 90.6 | Very high | 91.4 | Very high | 162 Ų | 162 | 67.5 Ų | 67.5 | 70% | 0.704 | 32% | 0.32 | S | S | * | . | trans | -64.1 | -45.9 | 169.5 | -171.2 | 178 | 178.2 | -174.7 | 0 | 113.5 | K145 | K140-K145 VanDerWaalsContact O-CE 3.28Å; K140-K145 WeakPolarHBondContact O-CE 3.18Å | ||
| 141 | P | 93 | Very high | 91.3 | Very high | 74 Ų | 74 | 72.1 Ų | 72.1 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -67.2 | 150.1 | -176.6 | 26.5 | -30.4 | 0 | 0 | 0 | 111.2 | E138 E143 A144 K145 | E138-P141 VanDerWaalsContact O-CD 3.25Å; E138-P141 WeakPolarHBondContact O-CD 3.43Å; P141-E143 VanDerWaalsContact C-N 3.29Å; P141-E143 PolarHBondContact O-N 3.35Å; P141-A144 HydrophobicContact CG-CB 3.8Å; P141-A144 PolarHBondContact O-N 3.41Å; P141-K145 PolarHBondContact O-N 3.16Å |
| 142 | Y | 90.7 | Very high | 91.3 | Very high | 123 Ų | 123 | 72.3 Ų | 72.3 | 48% | 0.482 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.3 | -42.1 | -175.4 | 179.7 | -91.2 | 0 | 0 | 0 | 112.4 | K145 R146 H172 | Y142-K145 PolarHBondContact O-N 2.91Å; Y142-R146 VanDerWaalsContact CE1-CD 3.45Å; Y142-R146 HydrophobicContact CE1-CG 4.18Å; Y142-R146 PolarHBondContact O-N 3.47Å; Y142-R146 PolarHBondContact OH-NE 2.88Å; Y142-H172 AromaticContact CD2-NE2 3.55Å; Y142-H172 AromaticContact CE2-CD2 3.87Å; Y142-H172 AromaticContact CE2-CE1 3.13Å; Y142-H172 WeakPolarHBondContact CE2-CE1 3.31Å; Y142-H172 AromaticContact CE2-NE2 2.89Å; Y142-H172 WeakPolarHBondContact CE2-NE2 3.46Å; Y142-H172 AromaticContact CZ-CE1 3.39Å; Y142-H172 AromaticContact CZ-NE2 3.62Å; Y142-H172 PolarHBondContact OH-CE1 3.13Å |
| 143 | E | 92.6 | Very high | 91.1 | Very high | 113 Ų | 113 | 75 Ų | 75 | 53% | 0.528 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | -178.9 | -166 | -176.1 | 178.6 | 0 | 0 | 112.2 | P141 K145 R146 R147 | P141-E143 VanDerWaalsContact C-N 3.29Å; P141-E143 PolarHBondContact O-N 3.35Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 2.95Å; E143-R146 WeakPolarHBondContact O-CB 3.33Å; E143-R146 PolarHBondContact O-N 3.32Å; E143-R147 VanDerWaalsContact CD-NH2 3.32Å; E143-R147 WeakPolarHBondContact O-CG 2.9Å; E143-R147 PolarHBondContact O-N 3.28Å; E143-R147 IonicContact OE1-CZ 3.69Å; E143-R147 VanDerWaalsContact OE1-CZ 3.28Å; E143-R147 IonicContact OE1-NE 3.37Å; E143-R147 PolarHBondContact OE1-NE 2.85Å; E143-R147 IonicContact OE1-NH2 3.66Å; E143-R147 PolarHBondContact OE1-NH2 2.77Å; E143-R147 IonicContact OE2-NH2 2.73Å |
| 144 | A | 92.8 | Very high | 91.1 | Very high | 20 Ų | 20 | 71.9 Ų | 71.9 | 17% | 0.165 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.1 | -37.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y139 P141 R146 R147 L148 | Y139-A144 HydrophobicContact CD1-CB 4.05Å; P141-A144 HydrophobicContact CG-CB 3.8Å; P141-A144 PolarHBondContact O-N 3.41Å; A144-R146 VanDerWaalsContact C-N 3.34Å; A144-R146 PolarHBondContact O-N 3.31Å; A144-R147 PolarHBondContact O-N 3.19Å; A144-L148 WeakPolarHBondContact O-CB 3.15Å; A144-L148 PolarHBondContact O-N 2.95Å |
| 145 | K | 91.1 | Very high | 91.1 | Very high | 34 Ų | 34 | 71.4 Ų | 71.4 | 15% | 0.148 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.6 | -37.2 | 175.5 | -63.3 | -179.6 | -170.1 | -174.6 | 0 | 112.4 | Y139 K140 P141 Y142 E143 L149 H168 F173 | Y139-K145 WeakPolarHBondContact O-CE 3.37Å; Y139-K145 WeakPolarHBondContact O-CG 3.25Å; K140-K145 VanDerWaalsContact O-CE 3.28Å; K140-K145 WeakPolarHBondContact O-CE 3.18Å; P141-K145 PolarHBondContact O-N 3.16Å; Y142-K145 PolarHBondContact O-N 2.91Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 2.95Å; K145-L149 WeakPolarHBondContact O-CB 3.11Å; K145-L149 PolarHBondContact O-N 3.49Å; K145-L149 VanDerWaalsContact O-N 3.13Å; K145-H168 WeakPolarHBondContact CE-O 3.09Å; K145-H168 PolarHBondContact NZ-O 2.91Å; K145-F173 HydrophobicContact CB-CE2 4.37Å |
| 146 | R | 91.5 | Very high | 91.1 | Very high | 146 Ų | 146 | 71.1 Ų | 71.1 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -68.9 | -42.7 | 175.5 | -80.1 | -174.2 | 147.3 | -173 | -9.3 | 111.4 | Y142 E143 A144 L149 G150 | Y142-R146 VanDerWaalsContact CE1-CD 3.45Å; Y142-R146 HydrophobicContact CE1-CG 4.18Å; Y142-R146 PolarHBondContact O-N 3.47Å; Y142-R146 PolarHBondContact OH-NE 2.88Å; E143-R146 WeakPolarHBondContact O-CB 3.33Å; E143-R146 PolarHBondContact O-N 3.32Å; A144-R146 VanDerWaalsContact C-N 3.34Å; A144-R146 PolarHBondContact O-N 3.31Å; R146-L149 WeakPolarHBondContact O-CB 3.28Å; R146-L149 PolarHBondContact O-N 3.41Å; R146-G150 PolarHBondContact O-N 3.49Å |
| 147 | R | 92.4 | Very high | 91.3 | Very high | 149 Ų | 149 | 67.3 Ų | 67.3 | 56% | 0.562 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.7 | -47.2 | 174.3 | -67.8 | 179.6 | -174.6 | -178.2 | -1.8 | 111 | E143 A144 L149 G150 N151 | E143-R147 VanDerWaalsContact CD-NH2 3.32Å; E143-R147 WeakPolarHBondContact O-CG 2.9Å; E143-R147 PolarHBondContact O-N 3.28Å; E143-R147 IonicContact OE1-CZ 3.69Å; E143-R147 VanDerWaalsContact OE1-CZ 3.28Å; E143-R147 IonicContact OE1-NE 3.37Å; E143-R147 PolarHBondContact OE1-NE 2.85Å; E143-R147 IonicContact OE1-NH2 3.66Å; E143-R147 PolarHBondContact OE1-NH2 2.77Å; E143-R147 IonicContact OE2-NH2 2.73Å; A144-R147 PolarHBondContact O-N 3.19Å; R147-L149 VanDerWaalsContact C-N 3.27Å; R147-L149 PolarHBondContact O-N 2.98Å; R147-G150 PolarHBondContact O-N 2.88Å; R147-N151 PolarHBondContact O-N 2.99Å; R147-N151 PolarHBondContact O-OD1 3.01Å |
| 148 | L | 91.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.9 | -40.4 | 175.8 | -174.5 | 65.4 | 0 | 0 | 0 | 112.4 | F98 I130 L135 Y139 A144 G150 F152 F155 L169 F173 | F98-L148 HydrophobicContact CE1-CD2 4.34Å; F98-L148 HydrophobicContact CZ-CD2 4.12Å; I130-L148 HydrophobicContact CD1-CD1 3.52Å; I130-L148 HydrophobicContact CD1-CD2 4.46Å; L135-L148 HydrophobicContact CD1-CD2 4.15Å; Y139-L148 HydrophobicContact CD1-CB 3.93Å; Y139-L148 HydrophobicContact CD1-CD1 4.43Å; Y139-L148 HydrophobicContact CD1-CD2 3.92Å; Y139-L148 HydrophobicContact CD1-CG 4.32Å; Y139-L148 HydrophobicContact CE1-CB 3.87Å; Y139-L148 HydrophobicContact CE1-CD1 3.83Å; Y139-L148 HydrophobicContact CE1-CD2 4.14Å; Y139-L148 HydrophobicContact CE1-CG 4.17Å; Y139-L148 HydrophobicContact CG-CD2 4.29Å; A144-L148 WeakPolarHBondContact O-CB 3.15Å; A144-L148 PolarHBondContact O-N 2.95Å; L148-G150 VanDerWaalsContact C-N 3.34Å; L148-F152 HydrophobicContact CD1-CD2 3.54Å; L148-F152 HydrophobicContact CD1-CE2 3.51Å; L148-F152 HydrophobicContact CG-CD2 4.36Å; L148-F152 WeakPolarHBondContact O-CD2 3.44Å; L148-F152 PolarHBondContact O-N 2.85Å; L148-F155 HydrophobicContact CD1-CE1 4.44Å; L148-F155 HydrophobicContact CG-CE1 4.09Å; L148-F155 HydrophobicContact CG-CZ 4.46Å; L148-F155 WeakPolarHBondContact O-CZ 3.23Å; L148-L169 HydrophobicContact CD2-CD2 4.49Å; L148-F173 HydrophobicContact CB-CZ 4.34Å; L148-F173 HydrophobicContact CD2-CZ 3.82Å; L148-F173 HydrophobicContact CG-CZ 4.03Å |
| 149 | L | 90.3 | Very high | 91.3 | Very high | 24 Ų | 24 | 59 Ų | 59 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.6 | -31 | 177.3 | -166.9 | 86.9 | 0 | 0 | 0 | 113.4 | K145 R146 R147 F155 F173 T176 K178 | K145-L149 WeakPolarHBondContact O-CB 3.11Å; K145-L149 PolarHBondContact O-N 3.49Å; K145-L149 VanDerWaalsContact O-N 3.13Å; R146-L149 WeakPolarHBondContact O-CB 3.28Å; R146-L149 PolarHBondContact O-N 3.41Å; R147-L149 VanDerWaalsContact C-N 3.27Å; R147-L149 PolarHBondContact O-N 2.98Å; L149-F155 HydrophobicContact CD1-CE2 4.29Å; L149-F173 HydrophobicContact CB-CZ 4.38Å; L149-F173 HydrophobicContact CD1-CD1 3.81Å; L149-F173 HydrophobicContact CD1-CD2 4.19Å; L149-F173 HydrophobicContact CD1-CE1 3.92Å; L149-F173 HydrophobicContact CD1-CE2 4.26Å; L149-F173 HydrophobicContact CD1-CG 3.95Å; L149-F173 HydrophobicContact CD1-CZ 4.11Å; L149-T176 HydrophobicContact CD2-CG2 3.72Å; L149-K178 HydrophobicContact CD1-CB 3.94Å; L149-K178 HydrophobicContact CD1-CD 3.98Å; L149-K178 HydrophobicContact CD1-CG 4.45Å; L149-K178 HydrophobicContact CG-CD 4.19Å; L149-K178 PolarHBondContact O-NZ 3.12Å; L149-K178 VanDerWaalsContact O-NZ 3.11Å |
| 150 | G | 89.1 | Confident | 91.2 | Very high | 59 Ų | 59 | 61.8 Ų | 61.8 | 61% | 0.608 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -74.6 | -41.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R146 R147 L148 | R146-G150 PolarHBondContact O-N 3.49Å; R147-G150 PolarHBondContact O-N 2.88Å; L148-G150 VanDerWaalsContact C-N 3.34Å |
| 151 | N | 90.9 | Very high | 91.2 | Very high | 98 Ų | 98 | 54.2 Ų | 54.2 | 52% | 0.524 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.8 | -44.1 | -178.2 | -63.3 | 10 | 0 | 0 | 0 | 111.8 | E94 R147 | E94-N151 VanDerWaalsContact OE2-O 3.12Å; R147-N151 PolarHBondContact O-N 2.99Å; R147-N151 PolarHBondContact O-OD1 3.01Å |
| 152 | F | 91.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | trans | -101.7 | 142.5 | -172.7 | -61.7 | -73.6 | 0 | 0 | 0 | 114.1 | E94 C96 E128 L148 F155 K178 | E94-F152 HydrophobicContact CB-CD1 3.62Å; E94-F152 HydrophobicContact CB-CE1 4.09Å; C96-F152 HydrophobicContact CB-CB 4.14Å; C96-F152 HydrophobicContact CB-CD1 3.66Å; C96-F152 HydrophobicContact CB-CD2 3.84Å; C96-F152 HydrophobicContact CB-CE1 4.04Å; C96-F152 HydrophobicContact CB-CE2 4.19Å; C96-F152 HydrophobicContact CB-CG 3.58Å; C96-F152 HydrophobicContact CB-CZ 4.3Å; E128-F152 HydrophobicContact CB-CE1 3.76Å; E128-F152 HydrophobicContact CB-CZ 3.5Å; E128-F152 VanDerWaalsContact CB-CZ 3.5Å; E128-F152 HydrophobicContact CG-CZ 4.26Å; E128-F152 VanDerWaalsContact OE2-CZ 3.27Å; E128-F152 WeakPolarHBondContact OE2-CZ 3.34Å; L148-F152 HydrophobicContact CD1-CD2 3.54Å; L148-F152 HydrophobicContact CD1-CE2 3.51Å; L148-F152 HydrophobicContact CG-CD2 4.36Å; L148-F152 WeakPolarHBondContact O-CD2 3.44Å; L148-F152 PolarHBondContact O-N 2.85Å; F152-F155 HydrophobicContact CB-CE1 3.71Å; F152-F155 HydrophobicContact CB-CE2 4.28Å; F152-F155 HydrophobicContact CB-CZ 3.56Å; F152-F155 HydrophobicContact CD2-CE1 4.09Å; F152-F155 HydrophobicContact CD2-CZ 4.44Å; F152-F155 HydrophobicContact CG-CE1 4.18Å; F152-F155 HydrophobicContact CG-CZ 4.42Å; F152-K178 PolarHBondContact O-NZ 2.82Å | ||
| 153 | D | 88.5 | Confident | 91.1 | Very high | 67 Ų | 67 | 62 Ų | 62 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -94.8 | -29.5 | 175.9 | -73.2 | -51.8 | 0 | 0 | 0 | 113.9 | E94 K178 | E94-D153 PolarHBondContact O-N 3.31Å; D153-K178 IonicContact OD1-NZ 3.77Å; D153-K178 PolarHBondContact OD1-NZ 2.73Å |
| 154 | M | 89 | Confident | 91 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 134.1 | -179.1 | -174.3 | 156.2 | 147.6 | 0 | 0 | 111.7 | R89 E94 V95 C96 L156 I181 L197 V198 | R89-M154 VanDerWaalsContact CZ-SD 3.51Å; R89-M154 PolarHBondContact NE-SD 3.34Å; R89-M154 PolarHBondContact NH2-SD 3.37Å; E94-M154 PolarHBondContact O-N 3.04Å; V95-M154 WeakPolarHBondContact CA-O 3.24Å; V95-M154 HydrophobicContact CG1-CB 4.29Å; V95-M154 HydrophobicContact CG1-CG 4.33Å; V95-M154 HydrophobicContact CG2-CB 4.21Å; C96-M154 PolarHBondContact N-O 2.98Å; M154-L156 HydrophobicContact CE-CD1 4.33Å; M154-L156 HydrophobicContact CE-CD2 3.29Å; M154-L156 HydrophobicContact CE-CG 3.98Å; M154-I181 HydrophobicContact CE-CD1 4.17Å; M154-L197 HydrophobicContact CE-CB 4.15Å; M154-V198 HydrophobicContact CE-CG2 4.05Å |
| 155 | F | 92.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.7 | 174.4 | -62.6 | -79.5 | 0 | 0 | 0 | 109.8 | C96 F98 L148 L149 F152 F173 K178 P180 I181 | C96-F155 HydrophobicContact CB-CD1 3.69Å; C96-F155 HydrophobicContact CB-CE1 3.84Å; C96-F155 CarbonylContact O-C 3.5Å; C96-F155 WeakPolarHBondContact O-CA 3.4Å; F98-F155 HydrophobicContact CE2-CB 4.01Å; F98-F155 AromaticContact CE2-CD1 3.56Å; F98-F155 HydrophobicContact CE2-CD1 3.56Å; F98-F155 HydrophobicContact CE2-CE1 4.45Å; F98-F155 HydrophobicContact CE2-CG 4.09Å; F98-F155 AromaticContact CZ-CD1 3.68Å; F98-F155 HydrophobicContact CZ-CD1 3.68Å; F98-F155 HydrophobicContact CZ-CE1 4.16Å; L148-F155 HydrophobicContact CD1-CE1 4.44Å; L148-F155 HydrophobicContact CG-CE1 4.09Å; L148-F155 HydrophobicContact CG-CZ 4.46Å; L148-F155 WeakPolarHBondContact O-CZ 3.23Å; L149-F155 HydrophobicContact CD1-CE2 4.29Å; F152-F155 HydrophobicContact CB-CE1 3.71Å; F152-F155 HydrophobicContact CB-CE2 4.28Å; F152-F155 HydrophobicContact CB-CZ 3.56Å; F152-F155 HydrophobicContact CD2-CE1 4.09Å; F152-F155 HydrophobicContact CD2-CZ 4.44Å; F152-F155 HydrophobicContact CG-CE1 4.18Å; F152-F155 HydrophobicContact CG-CZ 4.42Å; F155-F173 HydrophobicContact CD1-CE1 4.03Å; F155-F173 HydrophobicContact CD2-CD1 4.12Å; F155-F173 AromaticContact CD2-CE1 3.82Å; F155-F173 HydrophobicContact CD2-CE1 3.82Å; F155-F173 AromaticContact CE1-CE1 3.7Å; F155-F173 HydrophobicContact CE1-CE1 3.7Å; F155-F173 HydrophobicContact CE1-CZ 4.26Å; F155-F173 HydrophobicContact CE2-CD1 4.05Å; F155-F173 AromaticContact CE2-CE1 3.48Å; F155-F173 HydrophobicContact CE2-CE1 3.48Å; F155-F173 VanDerWaalsContact CE2-CE1 3.48Å; F155-F173 HydrophobicContact CE2-CZ 4.42Å; F155-F173 HydrophobicContact CG-CE1 4.08Å; F155-F173 HydrophobicContact CZ-CD1 4.4Å; F155-F173 AromaticContact CZ-CE1 3.41Å; F155-F173 HydrophobicContact CZ-CE1 3.41Å; F155-F173 VanDerWaalsContact CZ-CE1 3.41Å; F155-F173 AromaticContact CZ-CZ 4Å; F155-F173 HydrophobicContact CZ-CZ 4Å; F155-K178 HydrophobicContact CD2-CB 4.17Å; F155-K178 WeakPolarHBondContact CD2-O 3.17Å; F155-K178 HydrophobicContact CE2-CB 4.16Å; F155-K178 HydrophobicContact CE2-CD 4.27Å; F155-P180 HydrophobicContact CB-CB 3.95Å; F155-P180 HydrophobicContact CB-CG 3.95Å; F155-P180 CarbonylContact O-C 3.57Å; F155-P180 VanDerWaalsContact O-CA 3.31Å; F155-P180 WeakPolarHBondContact O-CA 3.46Å; F155-I181 PolarHBondContact O-N 3.39Å |
| 156 | L | 92.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 152.6 | 170.2 | -63.6 | 179.3 | 0 | 0 | 0 | 108.8 | V95 C96 L97 F98 M154 I181 I183 V194 L197 | V95-L156 HydrophobicContact CG1-CD1 3.61Å; V95-L156 HydrophobicContact CG1-CG 3.85Å; C96-L156 PolarHBondContact O-N 3Å; L97-L156 HydrophobicContact CB-CB 4.49Å; L97-L156 HydrophobicContact CD1-CB 3.61Å; F98-L156 WeakPolarHBondContact CD2-O 2.92Å; F98-L156 PolarHBondContact N-O 3.37Å; M154-L156 HydrophobicContact CE-CD1 4.33Å; M154-L156 HydrophobicContact CE-CD2 3.29Å; M154-L156 HydrophobicContact CE-CG 3.98Å; L156-I181 CarbonylContact C-O 3.59Å; L156-I181 WeakPolarHBondContact CA-O 3.45Å; L156-I181 HydrophobicContact CD2-CB 4.04Å; L156-I183 HydrophobicContact CB-CD1 4.12Å; L156-I183 HydrophobicContact CD1-CD1 3.67Å; L156-I183 HydrophobicContact CD2-CD1 3.61Å; L156-I183 HydrophobicContact CD2-CG1 4.23Å; L156-I183 HydrophobicContact CG-CD1 3.99Å; L156-V194 HydrophobicContact CD1-CG1 4.26Å; L156-L197 HydrophobicContact CD2-CD2 3.99Å |
| 157 | S | 93.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 152.5 | 174.5 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | F98 L165 I181 S182 I183 | F98-S157 CarbonylContact O-C 3.57Å; F98-S157 WeakPolarHBondContact O-CA 3.12Å; S157-L165 WeakPolarHBondContact OG-CD1 3.49Å; S157-I181 PolarHBondContact N-O 3.05Å; S157-S182 CarbonylContact O-C 3.59Å; S157-S182 VanDerWaalsContact O-CA 3.24Å; S157-S182 WeakPolarHBondContact O-CA 3.22Å; S157-I183 PolarHBondContact O-N 3.11Å |
| 158 | D | 91.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 137.9 | 164.9 | -168.3 | -25.6 | 0 | 0 | 0 | 110 | F98 R160 I161 R162 I183 L185 | F98-D158 PolarHBondContact O-N 3.15Å; D158-R160 PolarHBondContact O-N 2.98Å; D158-R160 PolarHBondContact OD1-N 2.95Å; D158-R160 IonicContact OD1-NE 3.47Å; D158-R160 PolarHBondContact OD1-NE 2.96Å; D158-R160 IonicContact OD2-CZ 3.16Å; D158-R160 IonicContact OD2-NE 2.81Å; D158-R160 PolarHBondContact OD2-NE 3.39Å; D158-R160 IonicContact OD2-NH2 2.68Å; D158-R160 PolarHBondContact OD2-NH2 2.9Å; D158-I161 HydrophobicContact CB-CD1 4.33Å; D158-I161 HydrophobicContact CB-CG1 4.05Å; D158-I161 WeakPolarHBondContact O-CG1 3.4Å; D158-I161 PolarHBondContact O-N 3.41Å; D158-R162 PolarHBondContact O-N 3.35Å; D158-I183 CarbonylContact C-O 3.51Å; D158-I183 WeakPolarHBondContact CA-O 3.45Å; D158-L185 HydrophobicContact CB-CD1 3.73Å; D158-L185 HydrophobicContact CB-CG 4.4Å |
| 159 | E | 90.9 | Very high | 90.3 | Very high | 113 Ų | 113 | 53.9 Ų | 53.9 | 53% | 0.528 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -51 | -36.5 | 172.2 | -176.4 | 166 | -159.8 | 0 | 0 | 112.5 | I161 R162 I183 | E159-I161 VanDerWaalsContact C-N 3.33Å; E159-I161 PolarHBondContact O-N 3.32Å; E159-R162 WeakPolarHBondContact O-CB 3.22Å; E159-R162 PolarHBondContact O-N 3.02Å; E159-I183 PolarHBondContact N-O 2.9Å |
| 160 | R | 90 | Very high | 90.1 | Very high | 98 Ų | 98 | 53.7 Ų | 53.7 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -63.6 | -34.8 | -178.7 | -62.8 | 179.2 | -68 | 174.2 | 2.8 | 113.4 | K100 Y114 D158 | K100-R160 HydrophobicContact CD-CB 4.4Å; Y114-R160 PolarHBondContact OH-NH2 3.28Å; D158-R160 PolarHBondContact O-N 2.98Å; D158-R160 PolarHBondContact OD1-N 2.95Å; D158-R160 IonicContact OD1-NE 3.47Å; D158-R160 PolarHBondContact OD1-NE 2.96Å; D158-R160 IonicContact OD2-CZ 3.16Å; D158-R160 IonicContact OD2-NE 2.81Å; D158-R160 PolarHBondContact OD2-NE 3.39Å; D158-R160 IonicContact OD2-NH2 2.68Å; D158-R160 PolarHBondContact OD2-NH2 2.9Å |
| 161 | I | 90.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -95.3 | -9.6 | -175.7 | 65.5 | 174.3 | 0 | 0 | 0 | 113 | F98 K100 L132 D158 E159 R163 L164 L165 | F98-I161 VanDerWaalsContact C-CD1 3.44Å; F98-I161 HydrophobicContact CB-CD1 3.46Å; F98-I161 VanDerWaalsContact CB-CD1 3.46Å; F98-I161 VanDerWaalsContact O-CD1 3.25Å; F98-I161 WeakPolarHBondContact O-CD1 3.36Å; K100-I161 HydrophobicContact CB-CG2 3.77Å; K100-I161 HydrophobicContact CG-CG2 4.09Å; L132-I161 HydrophobicContact CD2-CG2 4.23Å; D158-I161 HydrophobicContact CB-CD1 4.33Å; D158-I161 HydrophobicContact CB-CG1 4.05Å; D158-I161 WeakPolarHBondContact O-CG1 3.4Å; D158-I161 PolarHBondContact O-N 3.41Å; E159-I161 VanDerWaalsContact C-N 3.33Å; E159-I161 PolarHBondContact O-N 3.32Å; I161-R163 PolarHBondContact O-N 2.79Å; I161-L164 PolarHBondContact O-N 2.81Å; I161-L165 HydrophobicContact CD1-CD2 4.17Å; I161-L165 HydrophobicContact CG1-CD1 4.28Å; I161-L165 HydrophobicContact CG1-CG 4.38Å; I161-L165 PolarHBondContact O-N 3.11Å |
| 162 | R | 89.5 | Confident | 89.8 | Confident | 132 Ų | 132 | 56.1 Ų | 56.1 | 50% | 0.498 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | -39.1 | -176.1 | 179.2 | -173.7 | 170.9 | 84.6 | 10.5 | 113.7 | D158 E159 L164 P166 S182 | D158-R162 PolarHBondContact O-N 3.35Å; E159-R162 WeakPolarHBondContact O-CB 3.22Å; E159-R162 PolarHBondContact O-N 3.02Å; R162-L164 VanDerWaalsContact C-N 3.33Å; R162-L164 PolarHBondContact O-N 2.99Å; R162-P166 WeakPolarHBondContact O-CD 3.46Å; R162-S182 PolarHBondContact NH1-OG 3.5Å |
| 163 | R | 90.5 | Very high | 89.6 | Confident | 229 Ų | 229 | 56 Ų | 56 | 86% | 0.864 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -28.1 | -177.8 | -65.9 | 176.8 | 68.6 | -179.6 | 0.7 | 113.4 | I161 | I161-R163 PolarHBondContact O-N 2.79Š|
| 164 | L | 90.1 | Very high | 89.5 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -25.2 | -175.1 | -57.4 | 175.8 | 0 | 0 | 0 | 112.5 | L132 I161 R162 P166 S167 H168 | L132-L164 HydrophobicContact CD2-CD1 3.82Å; I161-L164 PolarHBondContact O-N 2.81Å; R162-L164 VanDerWaalsContact C-N 3.33Å; R162-L164 PolarHBondContact O-N 2.99Å; L164-P166 VanDerWaalsContact C-CD 3.46Å; L164-S167 PolarHBondContact O-N 2.89Å; L164-H168 PolarHBondContact O-CD2 2.63Å; L164-H168 VanDerWaalsContact O-CD2 3.3Å; L164-H168 PolarHBondContact O-N 3.38Å |
| 165 | L | 90.5 | Very high | 89.4 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.3 | -40.9 | -176.7 | -67.1 | 171.4 | 0 | 0 | 0 | 115.2 | F98 L135 S157 I161 S167 H168 L169 P180 | F98-L165 HydrophobicContact CB-CD2 4.21Å; F98-L165 HydrophobicContact CD2-CD2 4.15Å; F98-L165 HydrophobicContact CG-CD2 4.15Å; L135-L165 HydrophobicContact CD2-CD2 4.05Å; S157-L165 WeakPolarHBondContact OG-CD1 3.49Å; I161-L165 HydrophobicContact CD1-CD2 4.17Å; I161-L165 HydrophobicContact CG1-CD1 4.28Å; I161-L165 HydrophobicContact CG1-CG 4.38Å; I161-L165 PolarHBondContact O-N 3.11Å; L165-S167 PolarHBondContact O-N 3.26Å; L165-H168 PolarHBondContact O-N 3.23Å; L165-L169 HydrophobicContact CB-CD1 4.08Å; L165-L169 HydrophobicContact CD2-CD1 4.27Å; L165-L169 WeakPolarHBondContact O-CB 3.22Å; L165-L169 PolarHBondContact O-N 3.13Å; L165-P180 HydrophobicContact CD1-CB 3.98Å; L165-P180 HydrophobicContact CD1-CG 4.08Å |
| 166 | P | 89.8 | Confident | 89 | Confident | 62 Ų | 62 | 63.7 Ų | 63.7 | 40% | 0.403 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.7 | -35.6 | 178.5 | -21.2 | 30 | 0 | 0 | 0 | 113.5 | R162 L164 G170 Y174 | R162-P166 WeakPolarHBondContact O-CD 3.46Å; L164-P166 VanDerWaalsContact C-CD 3.46Å; P166-G170 PolarHBondContact O-N 3.31Å; P166-Y174 HydrophobicContact CB-CE2 4.23Å; P166-Y174 WeakPolarHBondContact CG-OH 2.92Å |
| 167 | S | 90.1 | Very high | 88.6 | Confident | 96 Ų | 96 | 70 Ų | 70 | 67% | 0.671 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.6 | -39.2 | 179.4 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | L164 L165 | L164-S167 PolarHBondContact O-N 2.89Å; L165-S167 PolarHBondContact O-N 3.26Å |
| 168 | H | 89.1 | Confident | 88.2 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 22% | 0.222 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -86.2 | -45.7 | -175.1 | -61.4 | -51.7 | 0 | 0 | 0 | 113.5 | L135 K136 K145 L164 L165 G170 | L135-H168 HydrophobicContact CD2-CB 4.26Å; K136-H168 WeakPolarHBondContact CE-NE2 3.34Å; K145-H168 WeakPolarHBondContact CE-O 3.09Å; K145-H168 PolarHBondContact NZ-O 2.91Å; L164-H168 PolarHBondContact O-CD2 2.63Å; L164-H168 VanDerWaalsContact O-CD2 3.3Å; L164-H168 PolarHBondContact O-N 3.38Å; L165-H168 PolarHBondContact O-N 3.23Å; H168-G170 VanDerWaalsContact C-N 3.26Å; H168-G170 PolarHBondContact O-N 2.84Å |
| 169 | L | 87.5 | Confident | 88.1 | Confident | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.1 | -23.8 | -179.6 | -66.9 | 173.6 | 0 | 0 | 0 | 113 | F98 L135 L148 L165 F173 P180 | F98-L169 HydrophobicContact CE1-CD2 4.48Å; F98-L169 HydrophobicContact CE2-CD1 4.11Å; F98-L169 HydrophobicContact CE2-CD2 4.14Å; F98-L169 HydrophobicContact CZ-CD2 3.79Å; L135-L169 HydrophobicContact CD1-CD2 4.04Å; L135-L169 HydrophobicContact CD2-CD2 4.23Å; L148-L169 HydrophobicContact CD2-CD2 4.49Å; L165-L169 HydrophobicContact CB-CD1 4.08Å; L165-L169 HydrophobicContact CD2-CD1 4.27Å; L165-L169 WeakPolarHBondContact O-CB 3.22Å; L165-L169 PolarHBondContact O-N 3.13Å; L169-F173 HydrophobicContact CB-CB 4.17Å; L169-F173 HydrophobicContact CB-CD1 4.45Å; L169-F173 HydrophobicContact CB-CD2 3.76Å; L169-F173 HydrophobicContact CB-CE2 4.31Å; L169-F173 HydrophobicContact CB-CG 3.86Å; L169-F173 HydrophobicContact CD1-CD1 4.1Å; L169-F173 HydrophobicContact CD1-CE1 4.48Å; L169-F173 HydrophobicContact CD1-CG 4.28Å; L169-F173 HydrophobicContact CD2-CD1 4.16Å; L169-F173 HydrophobicContact CD2-CD2 4.1Å; L169-F173 HydrophobicContact CD2-CE1 3.87Å; L169-F173 HydrophobicContact CD2-CE2 3.84Å; L169-F173 HydrophobicContact CD2-CG 4.28Å; L169-F173 HydrophobicContact CD2-CZ 3.74Å; L169-F173 HydrophobicContact CG-CD1 4.48Å; L169-F173 HydrophobicContact CG-CD2 4.43Å; L169-F173 HydrophobicContact CG-CG 4.37Å; L169-F173 WeakPolarHBondContact O-CD2 3.21Å; L169-P180 HydrophobicContact CD1-CG 3.33Å |
| 170 | G | 85.6 | Confident | 88 | Confident | 20 Ų | 20 | 69.9 Ų | 69.9 | 21% | 0.206 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | 67.8 | -171 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P166 H168 H172 Y174 | P166-G170 PolarHBondContact O-N 3.31Å; H168-G170 VanDerWaalsContact C-N 3.26Å; H168-G170 PolarHBondContact O-N 2.84Å; G170-H172 PolarHBondContact O-N 2.88Å; G170-Y174 WeakPolarHBondContact O-CD2 3.42Å |
| 171 | K | 87.6 | Confident | 88.1 | Confident | 161 Ų | 161 | 66.3 Ų | 66.3 | 70% | 0.7 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.8 | -31.1 | -170.5 | -175 | 179.3 | 175.1 | -173 | 0 | 113.8 | F173 Y174 T175 | K171-F173 VanDerWaalsContact C-N 3.33Å; K171-F173 PolarHBondContact O-N 3.06Å; K171-Y174 PolarHBondContact O-N 3.15Å; K171-T175 WeakPolarHBondContact CG-OG1 3.16Å; K171-T175 PolarHBondContact O-N 3.22Å; K171-T175 PolarHBondContact O-OG1 3.44Å; K171-T175 VanDerWaalsContact O-OG1 3.11Å |
| 172 | H | 86.6 | Confident | 88.1 | Confident | 47 Ų | 47 | 67 Ų | 67 | 22% | 0.218 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.7 | -42.7 | -173.1 | -59.1 | -66.7 | 0 | 0 | 0 | 113.4 | Y142 G170 Y174 T175 T176 | Y142-H172 AromaticContact CD2-NE2 3.55Å; Y142-H172 AromaticContact CE2-CD2 3.87Å; Y142-H172 AromaticContact CE2-CE1 3.13Å; Y142-H172 WeakPolarHBondContact CE2-CE1 3.31Å; Y142-H172 AromaticContact CE2-NE2 2.89Å; Y142-H172 WeakPolarHBondContact CE2-NE2 3.46Å; Y142-H172 AromaticContact CZ-CE1 3.39Å; Y142-H172 AromaticContact CZ-NE2 3.62Å; Y142-H172 PolarHBondContact OH-CE1 3.13Å; G170-H172 PolarHBondContact O-N 2.88Å; H172-Y174 VanDerWaalsContact C-N 3.29Å; H172-Y174 PolarHBondContact O-N 3.48Å; H172-T175 PolarHBondContact O-N 3.5Å; H172-T176 WeakPolarHBondContact O-CG2 3.44Å; H172-T176 PolarHBondContact O-N 3.29Å; H172-T176 VanDerWaalsContact O-N 3.13Å; H172-T176 PolarHBondContact O-OG1 3.05Å |
| 173 | F | 87.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.7 | -35.6 | 177.6 | -81.3 | -101.8 | 0 | 0 | 0 | 112.7 | K145 L148 L149 F155 L169 K171 T176 K177 K178 | K145-F173 HydrophobicContact CB-CE2 4.37Å; L148-F173 HydrophobicContact CB-CZ 4.34Å; L148-F173 HydrophobicContact CD2-CZ 3.82Å; L148-F173 HydrophobicContact CG-CZ 4.03Å; L149-F173 HydrophobicContact CB-CZ 4.38Å; L149-F173 HydrophobicContact CD1-CD1 3.81Å; L149-F173 HydrophobicContact CD1-CD2 4.19Å; L149-F173 HydrophobicContact CD1-CE1 3.92Å; L149-F173 HydrophobicContact CD1-CE2 4.26Å; L149-F173 HydrophobicContact CD1-CG 3.95Å; L149-F173 HydrophobicContact CD1-CZ 4.11Å; F155-F173 HydrophobicContact CD1-CE1 4.03Å; F155-F173 HydrophobicContact CD2-CD1 4.12Å; F155-F173 AromaticContact CD2-CE1 3.82Å; F155-F173 HydrophobicContact CD2-CE1 3.82Å; F155-F173 AromaticContact CE1-CE1 3.7Å; F155-F173 HydrophobicContact CE1-CE1 3.7Å; F155-F173 HydrophobicContact CE1-CZ 4.26Å; F155-F173 HydrophobicContact CE2-CD1 4.05Å; F155-F173 AromaticContact CE2-CE1 3.48Å; F155-F173 HydrophobicContact CE2-CE1 3.48Å; F155-F173 VanDerWaalsContact CE2-CE1 3.48Å; F155-F173 HydrophobicContact CE2-CZ 4.42Å; F155-F173 HydrophobicContact CG-CE1 4.08Å; F155-F173 HydrophobicContact CZ-CD1 4.4Å; F155-F173 AromaticContact CZ-CE1 3.41Å; F155-F173 HydrophobicContact CZ-CE1 3.41Å; F155-F173 VanDerWaalsContact CZ-CE1 3.41Å; F155-F173 AromaticContact CZ-CZ 4Å; F155-F173 HydrophobicContact CZ-CZ 4Å; L169-F173 HydrophobicContact CB-CB 4.17Å; L169-F173 HydrophobicContact CB-CD1 4.45Å; L169-F173 HydrophobicContact CB-CD2 3.76Å; L169-F173 HydrophobicContact CB-CE2 4.31Å; L169-F173 HydrophobicContact CB-CG 3.86Å; L169-F173 HydrophobicContact CD1-CD1 4.1Å; L169-F173 HydrophobicContact CD1-CE1 4.48Å; L169-F173 HydrophobicContact CD1-CG 4.28Å; L169-F173 HydrophobicContact CD2-CD1 4.16Å; L169-F173 HydrophobicContact CD2-CD2 4.1Å; L169-F173 HydrophobicContact CD2-CE1 3.87Å; L169-F173 HydrophobicContact CD2-CE2 3.84Å; L169-F173 HydrophobicContact CD2-CG 4.28Å; L169-F173 HydrophobicContact CD2-CZ 3.74Å; L169-F173 HydrophobicContact CG-CD1 4.48Å; L169-F173 HydrophobicContact CG-CD2 4.43Å; L169-F173 HydrophobicContact CG-CG 4.37Å; L169-F173 WeakPolarHBondContact O-CD2 3.21Å; K171-F173 VanDerWaalsContact C-N 3.33Å; K171-F173 PolarHBondContact O-N 3.06Å; F173-T176 PolarHBondContact O-OG1 3.26Å; F173-K177 PolarHBondContact O-N 3.29Å; F173-K178 CarbonylContact O-C 3.56Å; F173-K178 PolarHBondContact O-N 3.33Å; F173-K178 VanDerWaalsContact O-N 3.15Å |
| 174 | Y | 85.5 | Confident | 88 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -85.1 | -34 | -177.7 | -66.7 | -88.6 | 0 | 0 | 0 | 112.3 | P166 G170 K171 H172 K177 M179 | P166-Y174 HydrophobicContact CB-CE2 4.23Å; P166-Y174 WeakPolarHBondContact CG-OH 2.92Å; G170-Y174 WeakPolarHBondContact O-CD2 3.42Å; K171-Y174 PolarHBondContact O-N 3.15Å; H172-Y174 VanDerWaalsContact C-N 3.29Å; H172-Y174 PolarHBondContact O-N 3.48Å; Y174-K177 PolarHBondContact O-N 3.36Å; Y174-M179 HydrophobicContact CD1-CB 3.82Å; Y174-M179 HydrophobicContact CD1-CE 4.05Å; Y174-M179 HydrophobicContact CD1-SD 4.24Å; Y174-M179 HydrophobicContact CE1-CB 3.64Å; Y174-M179 HydrophobicContact CE1-CG 4.46Å; Y174-M179 HydrophobicContact CE1-SD 4.17Å |
| 175 | T | 86.4 | Confident | 87.7 | Confident | 90 Ų | 90 | 49.5 Ų | 49.5 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 173.6 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | K171 H172 K177 | K171-T175 WeakPolarHBondContact CG-OG1 3.16Å; K171-T175 PolarHBondContact O-N 3.22Å; K171-T175 PolarHBondContact O-OG1 3.44Å; K171-T175 VanDerWaalsContact O-OG1 3.11Å; H172-T175 PolarHBondContact O-N 3.5Å; T175-K177 PolarHBondContact O-N 3.36Å |
| 176 | T | 84.6 | Confident | 87.4 | Confident | 67 Ų | 67 | 54.6 Ų | 54.6 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 2 | 179.8 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | L149 H172 F173 K178 | L149-T176 HydrophobicContact CD2-CG2 3.72Å; H172-T176 WeakPolarHBondContact O-CG2 3.44Å; H172-T176 PolarHBondContact O-N 3.29Å; H172-T176 VanDerWaalsContact O-N 3.13Å; H172-T176 PolarHBondContact O-OG1 3.05Å; F173-T176 PolarHBondContact O-OG1 3.26Å; T176-K178 PolarHBondContact O-N 3.34Å |
| 177 | K | 83.4 | Confident | 87 | Confident | 133 Ų | 133 | 52.9 Ų | 52.9 | 58% | 0.578 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 9.2 | -179.4 | -53.6 | 174.5 | -176.8 | 171.6 | 0 | 114.6 | F173 Y174 T175 M179 | F173-K177 PolarHBondContact O-N 3.29Å; Y174-K177 PolarHBondContact O-N 3.36Å; T175-K177 PolarHBondContact O-N 3.36Å; K177-M179 PolarHBondContact O-N 3.38Å; K177-M179 VanDerWaalsContact O-N 3.13Å |
| 178 | K | 86.1 | Confident | 86.4 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | trans | -82.9 | 44.7 | 172.1 | -68.4 | -169 | 171 | -169.7 | 0 | 111.9 | L149 F152 D153 F155 F173 T176 | L149-K178 HydrophobicContact CD1-CB 3.94Å; L149-K178 HydrophobicContact CD1-CD 3.98Å; L149-K178 HydrophobicContact CD1-CG 4.45Å; L149-K178 HydrophobicContact CG-CD 4.19Å; L149-K178 PolarHBondContact O-NZ 3.12Å; L149-K178 VanDerWaalsContact O-NZ 3.11Å; F152-K178 PolarHBondContact O-NZ 2.82Å; D153-K178 IonicContact OD1-NZ 3.77Å; D153-K178 PolarHBondContact OD1-NZ 2.73Å; F155-K178 HydrophobicContact CD2-CB 4.17Å; F155-K178 WeakPolarHBondContact CD2-O 3.17Å; F155-K178 HydrophobicContact CE2-CB 4.16Å; F155-K178 HydrophobicContact CE2-CD 4.27Å; F173-K178 CarbonylContact O-C 3.56Å; F173-K178 PolarHBondContact O-N 3.33Å; F173-K178 VanDerWaalsContact O-N 3.15Å; T176-K178 PolarHBondContact O-N 3.34Å | ||
| 179 | M | 87.7 | Confident | 86.2 | Confident | 41 Ų | 41 | 58 Ų | 58 | 20% | 0.202 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 141.9 | 179.7 | 70.4 | -177.4 | 78.9 | 0 | 0 | 111.6 | Y174 K177 R202 | Y174-M179 HydrophobicContact CD1-CB 3.82Å; Y174-M179 HydrophobicContact CD1-CE 4.05Å; Y174-M179 HydrophobicContact CD1-SD 4.24Å; Y174-M179 HydrophobicContact CE1-CB 3.64Å; Y174-M179 HydrophobicContact CE1-CG 4.46Å; Y174-M179 HydrophobicContact CE1-SD 4.17Å; K177-M179 PolarHBondContact O-N 3.38Å; K177-M179 VanDerWaalsContact O-N 3.13Å; M179-R202 VanDerWaalsContact CG-CZ 3.5Å; M179-R202 PolarHBondContact O-NH1 3.43Å; M179-R202 PolarHBondContact SD-NH2 3.41Å |
| 180 | P | 90.8 | Very high | 86 | Confident | 12 Ų | 12 | 58 Ų | 58 | 8% | 0.078 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 142.7 | -176.1 | -22.2 | 31.4 | 0 | 0 | 0 | 114.2 | F98 F155 L165 L169 | F98-P180 HydrophobicContact CD2-CB 4.16Å; F98-P180 HydrophobicContact CD2-CG 3.97Å; F98-P180 HydrophobicContact CE2-CB 4.4Å; F98-P180 HydrophobicContact CE2-CG 3.82Å; F155-P180 HydrophobicContact CB-CB 3.95Å; F155-P180 HydrophobicContact CB-CG 3.95Å; F155-P180 CarbonylContact O-C 3.57Å; F155-P180 VanDerWaalsContact O-CA 3.31Å; F155-P180 WeakPolarHBondContact O-CA 3.46Å; L165-P180 HydrophobicContact CD1-CB 3.98Å; L165-P180 HydrophobicContact CD1-CG 4.08Å; L169-P180 HydrophobicContact CD1-CG 3.33Å |
| 181 | I | 90.8 | Very high | 86 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.5 | 177.2 | -51.2 | 176.6 | 0 | 0 | 0 | 109 | M154 F155 L156 S157 L197 | M154-I181 HydrophobicContact CE-CD1 4.17Å; F155-I181 PolarHBondContact O-N 3.39Å; L156-I181 CarbonylContact C-O 3.59Å; L156-I181 WeakPolarHBondContact CA-O 3.45Å; L156-I181 HydrophobicContact CD2-CB 4.04Å; S157-I181 PolarHBondContact N-O 3.05Å; I181-L197 HydrophobicContact CB-CD2 4.12Å; I181-L197 HydrophobicContact CG2-CD2 3.36Å; I181-L197 HydrophobicContact CG2-CG 4.14Å |
| 182 | S | 90.5 | Very high | 86 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 11% | 0.112 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 134.3 | -179.8 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | R81 S157 R162 | R81-S182 PolarHBondContact NH1-O 3.3Å; R81-S182 PolarHBondContact NH2-O 3.13Å; R81-S182 PolarHBondContact NH2-OG 3.12Å; S157-S182 CarbonylContact O-C 3.59Å; S157-S182 VanDerWaalsContact O-CA 3.24Å; S157-S182 WeakPolarHBondContact O-CA 3.22Å; R162-S182 PolarHBondContact NH1-OG 3.5Å |
| 183 | I | 90.6 | Very high | 86.1 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.046 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.1 | 177.5 | -56.3 | -173.6 | 0 | 0 | 0 | 108.4 | L156 S157 D158 E159 L185 L190 V194 L197 | L156-I183 HydrophobicContact CB-CD1 4.12Å; L156-I183 HydrophobicContact CD1-CD1 3.67Å; L156-I183 HydrophobicContact CD2-CD1 3.61Å; L156-I183 HydrophobicContact CD2-CG1 4.23Å; L156-I183 HydrophobicContact CG-CD1 3.99Å; S157-I183 PolarHBondContact O-N 3.11Å; D158-I183 CarbonylContact C-O 3.51Å; D158-I183 WeakPolarHBondContact CA-O 3.45Å; E159-I183 PolarHBondContact N-O 2.9Å; I183-L185 PolarHBondContact O-N 2.82Å; I183-L190 HydrophobicContact CG2-CD1 3.56Å; I183-V194 HydrophobicContact CD1-CG2 3.81Å; I183-V194 HydrophobicContact CG2-CG2 4.45Å; I183-L197 HydrophobicContact CD1-CD2 3.64Å; I183-L197 HydrophobicContact CG1-CD2 3.46Å; I183-L197 VanDerWaalsContact CG1-CD2 3.46Å |
| 184 | N | 88.7 | Confident | 86.2 | Confident | 67 Ų | 67 | 58.1 Ų | 58.1 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | trans | -86.1 | 105.5 | 170.8 | -173.6 | -9.5 | 0 | 0 | 0 | 109.6 | Q186 S187 | N184-Q186 PolarHBondContact O-N 3.41Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.36Å; N184-Q186 PolarHBondContact OD1-N 2.93Å; N184-S187 PolarHBondContact O-N 3.43Å; N184-S187 PolarHBondContact O-OG 3.11Å; N184-S187 VanDerWaalsContact O-OG 3.13Å | ||
| 185 | L | 83.6 | Confident | 86.3 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -13.3 | 179.6 | -72.1 | 171.3 | 0 | 0 | 0 | 113.8 | L97 T99 Y114 D158 I183 L190 | L97-L185 HydrophobicContact CD2-CD2 4.15Å; T99-L185 HydrophobicContact CG2-CD1 4.04Å; Y114-L185 HydrophobicContact CD1-CD1 4.36Å; Y114-L185 HydrophobicContact CE1-CD1 3.95Å; D158-L185 HydrophobicContact CB-CD1 3.73Å; D158-L185 HydrophobicContact CB-CG 4.4Å; I183-L185 PolarHBondContact O-N 2.82Å; L185-L190 HydrophobicContact CD2-CD1 3.99Å; L185-L190 HydrophobicContact CD2-CD2 3.97Å |
| 186 | Q | 82.9 | Confident | 86.3 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -15 | -179.8 | -58.6 | -64.8 | -50.5 | 0 | 0 | 112.4 | N184 | N184-Q186 PolarHBondContact O-N 3.41Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.36Å; N184-Q186 PolarHBondContact OD1-N 2.93Å |
| 187 | S | 81.1 | Confident | 86.5 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 19% | 0.189 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -68.2 | 143.9 | -176.8 | 72 | 0 | 0 | 0 | 0 | 111.1 | R121 N184 N189 D193 | R121-S187 PolarHBondContact NH1-O 3.46Å; N184-S187 PolarHBondContact O-N 3.43Å; N184-S187 PolarHBondContact O-OG 3.11Å; N184-S187 VanDerWaalsContact O-OG 3.13Å; S187-N189 PolarHBondContact O-N 3.19Å; S187-D193 PolarHBondContact OG-OD2 3.09Å |
| 188 | N | 78.4 | Confident | 86.6 | Confident | 143 Ų | 143 | 52.7 Ų | 52.7 | 77% | 0.765 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -30.1 | 179.4 | -66.8 | -17.4 | 0 | 0 | 0 | 112.5 | R121 L190 | R121-N188 PolarHBondContact NH1-O 3.12Å; N188-L190 PolarHBondContact O-N 2.68Å |
| 189 | N | 84.2 | Confident | 86.7 | Confident | 109 Ų | 109 | 52.7 Ų | 52.7 | 58% | 0.583 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 37.2 | -174.9 | -63.2 | -40 | 0 | 0 | 0 | 113.9 | S187 G191 R192 D193 | S187-N189 PolarHBondContact O-N 3.19Å; N189-G191 VanDerWaalsContact C-N 3.3Å; N189-G191 PolarHBondContact O-N 3.11Å; N189-R192 PolarHBondContact O-N 2.96Å; N189-D193 PolarHBondContact O-N 3.41Å; N189-D193 VanDerWaalsContact O-N 3.14Å |
| 190 | L | 84.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.4 | -42.8 | -177 | -177.1 | 60.5 | 0 | 0 | 0 | 112.9 | L118 V123 I183 L185 N188 R192 D193 V194 | L118-L190 HydrophobicContact CD2-CD2 3.82Å; V123-L190 HydrophobicContact CG2-CG 4.37Å; I183-L190 HydrophobicContact CG2-CD1 3.56Å; L185-L190 HydrophobicContact CD2-CD1 3.99Å; L185-L190 HydrophobicContact CD2-CD2 3.97Å; N188-L190 PolarHBondContact O-N 2.68Å; L190-R192 PolarHBondContact O-N 3.28Å; L190-D193 PolarHBondContact O-N 2.71Å; L190-V194 HydrophobicContact CD1-CG2 3.77Å; L190-V194 HydrophobicContact CG-CG2 4.07Å; L190-V194 WeakPolarHBondContact O-CB 3.45Å; L190-V194 VanDerWaalsContact O-CG2 3.28Å; L190-V194 WeakPolarHBondContact O-CG2 3.05Å; L190-V194 PolarHBondContact O-N 3.07Å |
| 191 | G | 85.5 | Confident | 86.6 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 19% | 0.186 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.6 | -50.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N189 D193 V194 Q195 | N189-G191 VanDerWaalsContact C-N 3.3Å; N189-G191 PolarHBondContact O-N 3.11Å; G191-D193 PolarHBondContact O-N 2.64Å; G191-V194 PolarHBondContact O-N 3.34Å; G191-Q195 VanDerWaalsContact O-CB 3.27Å; G191-Q195 WeakPolarHBondContact O-CB 3.31Å; G191-Q195 PolarHBondContact O-N 3.25Å |
| 192 | R | 87.8 | Confident | 86.5 | Confident | 162 Ų | 162 | 52.8 Ų | 52.8 | 61% | 0.611 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.9 | -40.3 | 178.9 | -171.8 | -178.2 | -175 | -170.5 | 3.2 | 112.2 | N189 L190 R196 | N189-R192 PolarHBondContact O-N 2.96Å; L190-R192 PolarHBondContact O-N 3.28Å; R192-R196 VanDerWaalsContact O-CB 3.23Å; R192-R196 WeakPolarHBondContact O-CB 3.35Å; R192-R196 PolarHBondContact O-N 2.92Å |
| 193 | D | 88.3 | Confident | 86.4 | Confident | 47 Ų | 47 | 52 Ų | 52 | 25% | 0.251 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 179.7 | -73.6 | -22.9 | 0 | 0 | 0 | 111 | S187 N189 L190 G191 R196 L197 | S187-D193 PolarHBondContact OG-OD2 3.09Å; N189-D193 PolarHBondContact O-N 3.41Å; N189-D193 VanDerWaalsContact O-N 3.14Å; L190-D193 PolarHBondContact O-N 2.71Å; G191-D193 PolarHBondContact O-N 2.64Å; D193-R196 PolarHBondContact O-N 3.01Å; D193-L197 WeakPolarHBondContact O-CD1 3.48Å; D193-L197 PolarHBondContact O-N 2.76Å |
| 194 | V | 88.2 | Confident | 86.3 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.1 | -49 | 176.3 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | V123 L156 I183 L190 G191 R196 L197 V198 | V123-V194 HydrophobicContact CG1-CB 4.27Å; V123-V194 HydrophobicContact CG1-CG1 3.74Å; V123-V194 HydrophobicContact CG1-CG2 4.43Å; V123-V194 HydrophobicContact CG2-CB 4.23Å; V123-V194 HydrophobicContact CG2-CG2 4.16Å; L156-V194 HydrophobicContact CD1-CG1 4.26Å; I183-V194 HydrophobicContact CD1-CG2 3.81Å; I183-V194 HydrophobicContact CG2-CG2 4.45Å; L190-V194 HydrophobicContact CD1-CG2 3.77Å; L190-V194 HydrophobicContact CG-CG2 4.07Å; L190-V194 WeakPolarHBondContact O-CB 3.45Å; L190-V194 VanDerWaalsContact O-CG2 3.28Å; L190-V194 WeakPolarHBondContact O-CG2 3.05Å; L190-V194 PolarHBondContact O-N 3.07Å; G191-V194 PolarHBondContact O-N 3.34Å; V194-R196 VanDerWaalsContact C-N 3.33Å; V194-R196 PolarHBondContact O-N 3.33Å; V194-L197 WeakPolarHBondContact O-CA 3.24Å; V194-L197 WeakPolarHBondContact O-CB 3.36Å; V194-L197 PolarHBondContact O-N 3.24Å; V194-V198 HydrophobicContact CG1-CG2 4.05Å; V194-V198 WeakPolarHBondContact O-CG2 3.37Å; V194-V198 PolarHBondContact O-N 3.03Å |
| 195 | Q | 87.4 | Confident | 86.3 | Confident | 102 Ų | 102 | 49.5 Ų | 49.5 | 48% | 0.477 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58 | -45.5 | 179.1 | -174.9 | 179.2 | 10.6 | 0 | 0 | 111.6 | G191 L197 V198 Q199 | G191-Q195 VanDerWaalsContact O-CB 3.27Å; G191-Q195 WeakPolarHBondContact O-CB 3.31Å; G191-Q195 PolarHBondContact O-N 3.25Å; Q195-L197 VanDerWaalsContact C-N 3.25Å; Q195-L197 PolarHBondContact O-N 2.89Å; Q195-V198 PolarHBondContact O-N 2.93Å; Q195-Q199 HydrophobicContact CG-CG 4.3Å; Q195-Q199 VanDerWaalsContact O-CB 3.31Å; Q195-Q199 WeakPolarHBondContact O-CB 3.49Å; Q195-Q199 VanDerWaalsContact O-CG 3.26Å; Q195-Q199 WeakPolarHBondContact O-CG 3.29Å; Q195-Q199 PolarHBondContact O-N 3.37Å |
| 196 | R | 87.9 | Confident | 86.5 | Confident | 112 Ų | 112 | 51.4 Ų | 51.4 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -36.4 | 175.5 | 179.1 | -174.7 | -74.2 | 170.4 | -7.6 | 112.2 | P83 R192 D193 V194 G200 | P83-R196 HydrophobicContact CB-CG 4.07Å; R192-R196 VanDerWaalsContact O-CB 3.23Å; R192-R196 WeakPolarHBondContact O-CB 3.35Å; R192-R196 PolarHBondContact O-N 2.92Å; D193-R196 PolarHBondContact O-N 3.01Å; V194-R196 VanDerWaalsContact C-N 3.33Å; V194-R196 PolarHBondContact O-N 3.33Å; R196-G200 WeakPolarHBondContact O-CA 3.32Å; R196-G200 PolarHBondContact O-N 3.26Å |
| 197 | L | 87.7 | Confident | 86.7 | Confident | 29 Ų | 29 | 49.7 Ų | 49.7 | 15% | 0.152 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.2 | -40.3 | 178.6 | -96.7 | 72.4 | 0 | 0 | 0 | 112.4 | M154 L156 I181 I183 D193 V194 Q195 | M154-L197 HydrophobicContact CE-CB 4.15Å; L156-L197 HydrophobicContact CD2-CD2 3.99Å; I181-L197 HydrophobicContact CB-CD2 4.12Å; I181-L197 HydrophobicContact CG2-CD2 3.36Å; I181-L197 HydrophobicContact CG2-CG 4.14Å; I183-L197 HydrophobicContact CD1-CD2 3.64Å; I183-L197 HydrophobicContact CG1-CD2 3.46Å; I183-L197 VanDerWaalsContact CG1-CD2 3.46Å; D193-L197 WeakPolarHBondContact O-CD1 3.48Å; D193-L197 PolarHBondContact O-N 2.76Å; V194-L197 WeakPolarHBondContact O-CA 3.24Å; V194-L197 WeakPolarHBondContact O-CB 3.36Å; V194-L197 PolarHBondContact O-N 3.24Å; Q195-L197 VanDerWaalsContact C-N 3.25Å; Q195-L197 PolarHBondContact O-N 2.89Å |
| 198 | V | 86.8 | Confident | 86.8 | Confident | 15 Ų | 15 | 59 Ų | 59 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.1 | -45.8 | 178.3 | 172.2 | 0 | 0 | 0 | 0 | 110 | R89 N125 M154 V194 Q195 | R89-V198 VanDerWaalsContact CD-O 3.25Å; R89-V198 WeakPolarHBondContact CD-O 3.34Å; R89-V198 PolarHBondContact NE-O 2.76Å; N125-V198 HydrophobicContact CB-CG2 4.46Å; M154-V198 HydrophobicContact CE-CG2 4.05Å; V194-V198 HydrophobicContact CG1-CG2 4.05Å; V194-V198 WeakPolarHBondContact O-CG2 3.37Å; V194-V198 PolarHBondContact O-N 3.03Å; Q195-V198 PolarHBondContact O-N 2.93Å |
| 199 | Q | 87.3 | Confident | 87.2 | Confident | 59 Ų | 59 | 53.4 Ų | 53.4 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 176.7 | -70.2 | 173.7 | -21.6 | 0 | 0 | 112.3 | Q195 | Q195-Q199 HydrophobicContact CG-CG 4.3Å; Q195-Q199 VanDerWaalsContact O-CB 3.31Å; Q195-Q199 WeakPolarHBondContact O-CB 3.49Å; Q195-Q199 VanDerWaalsContact O-CG 3.26Å; Q195-Q199 WeakPolarHBondContact O-CG 3.29Å; Q195-Q199 PolarHBondContact O-N 3.37Å |
| 200 | G | 87.1 | Confident | 87.4 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | trans | -72.2 | 167 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | I82 R196 | I82-G200 CarbonylContact O-C 3.56Å; I82-G200 WeakPolarHBondContact O-CA 3.25Å; R196-G200 WeakPolarHBondContact O-CA 3.32Å; R196-G200 PolarHBondContact O-N 3.26Å | ||
| 201 | T | 88.6 | Confident | 87.6 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 12% | 0.117 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 170.9 | 170.4 | -37.7 | 0 | 0 | 0 | 0 | 111.3 | I82 L84 Q88 R215 | I82-T201 WeakPolarHBondContact CA-O 3.44Å; I82-T201 PolarHBondContact N-O 3.28Å; I82-T201 PolarHBondContact O-N 3.31Å; L84-T201 VanDerWaalsContact CD1-OG1 3.22Å; L84-T201 WeakPolarHBondContact CD1-OG1 3.1Å; Q88-T201 PolarHBondContact NE2-OG1 3.01Å; Q88-T201 PolarHBondContact OE1-OG1 3.39Å; T201-R215 WeakPolarHBondContact CB-O 3.4Å; T201-R215 HydrophobicContact CG2-CB 4.11Å; T201-R215 WeakPolarHBondContact CG2-O 3.21Å; T201-R215 PolarHBondContact OG1-O 3.01Å |
| 202 | R | 88.7 | Confident | 87.9 | Confident | 51 Ų | 51 | 53.1 Ų | 53.1 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.4 | 173.1 | 60.6 | -178.6 | -62.5 | 159.7 | 1.7 | 109.9 | I80 M179 | I80-R202 CarbonylContact O-C 3.58Å; I80-R202 WeakPolarHBondContact O-CA 3.5Å; M179-R202 VanDerWaalsContact CG-CZ 3.5Å; M179-R202 PolarHBondContact O-NH1 3.43Å; M179-R202 PolarHBondContact SD-NH2 3.41Å |
| 203 | L | 89.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 115.3 | 168.7 | 179.4 | 67.4 | 0 | 0 | 0 | 108.1 | F68 I80 I82 V205 A214 V237 | F68-L203 HydrophobicContact CD2-CD1 4.04Å; F68-L203 HydrophobicContact CD2-CD2 3.85Å; F68-L203 HydrophobicContact CE2-CD1 4.49Å; F68-L203 HydrophobicContact CE2-CD2 4.1Å; F68-L203 HydrophobicContact CG-CD2 4.4Å; I80-L203 HydrophobicContact CB-CB 4.43Å; I80-L203 PolarHBondContact N-O 3.18Å; I80-L203 PolarHBondContact O-N 2.92Å; I82-L203 HydrophobicContact CD1-CB 3.83Å; L203-V205 HydrophobicContact CD2-CG2 4.02Å; L203-V205 HydrophobicContact CG-CG2 3.98Å; L203-A214 HydrophobicContact CB-CB 4.1Å; L203-A214 HydrophobicContact CD1-CB 3.78Å; L203-A214 HydrophobicContact CG-CB 4.49Å; L203-V237 HydrophobicContact CD2-CB 4.45Å; L203-V237 HydrophobicContact CD2-CG1 3.84Å; L203-V237 HydrophobicContact CD2-CG2 3.65Å |
| 204 | T | 88.6 | Confident | 88.2 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 13% | 0.129 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 106.3 | 172.9 | -55 | 0 | 0 | 0 | 0 | 108.4 | T77 T206 | T77-T204 HydrophobicContact CG2-CG2 4.05Å; T204-T206 HydrophobicContact CG2-CG2 4.4Å |
| 205 | V | 88.8 | Confident | 88.4 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 112.8 | 174.9 | -168.5 | 0 | 0 | 0 | 0 | 108.2 | L70 P74 T77 Q78 I80 L203 L241 | L70-V205 HydrophobicContact CD1-CG1 3.62Å; P74-V205 HydrophobicContact CG-CB 4.47Å; P74-V205 HydrophobicContact CG-CG1 3.6Å; T77-V205 CarbonylContact C-O 3.58Å; T77-V205 VanDerWaalsContact CA-O 3.31Å; T77-V205 WeakPolarHBondContact CA-O 3.18Å; T77-V205 WeakPolarHBondContact CG2-O 3.25Å; Q78-V205 PolarHBondContact N-O 3.35Å; Q78-V205 PolarHBondContact O-N 2.79Å; I80-V205 HydrophobicContact CD1-CG2 4.22Å; L203-V205 HydrophobicContact CD2-CG2 4.02Å; L203-V205 HydrophobicContact CG-CG2 3.98Å; V205-L241 HydrophobicContact CG2-CD1 4.41Å |
| 206 | T | 86.9 | Confident | 88.5 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | trans | -88 | 161.7 | -178.3 | 66.1 | 0 | 0 | 0 | 0 | 111.4 | T204 R208 | T204-T206 HydrophobicContact CG2-CG2 4.4Å; T206-R208 VanDerWaalsContact C-N 3.33Å | ||
| 207 | N | 86.1 | Confident | 88.6 | Confident | 74 Ų | 74 | 44 Ų | 44 | 40% | 0.396 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -88.2 | 1.7 | 174.5 | 68.2 | -24.9 | 0 | 0 | 0 | 113.7 | I73 P74 | I73-N207 VanDerWaalsContact CG2-C 3.44Å; I73-N207 VanDerWaalsContact CG2-O 3.28Å; I73-N207 WeakPolarHBondContact CG2-O 3.49Å; P74-N207 WeakPolarHBondContact O-CB 3.4Å |
| 208 | R | 85.1 | Confident | 88.7 | Confident | 223 Ų | 223 | 44.5 Ų | 44.5 | 84% | 0.842 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -97.6 | -21 | -175.6 | -65.4 | -66.1 | -170 | 170.1 | 2.2 | 113.2 | T206 | T206-R208 VanDerWaalsContact C-N 3.33Š|
| 209 | G | 86.4 | Confident | 88.6 | Confident | 24 Ų | 24 | 44.8 Ų | 44.8 | 25% | 0.247 | 23% | 0.225 | C | C | . | . | trans | -147.2 | 161.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 210 | C | 86.9 | Confident | 88.5 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 34% | 0.338 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -85.1 | -17.2 | 177.5 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | L70 I73 | L70-C210 PolarHBondContact N-O 2.79Å; L70-C210 WeakPolarHBondContact O-CB 3.46Å; I73-C210 HydrophobicContact CG1-CB 4.21Å |
| 211 | C | 89.9 | Confident | 88.6 | Confident | 65 Ų | 65 | 46.9 Ų | 46.9 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 135.5 | -176.1 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | L67 F68 | L67-C211 HydrophobicContact CD1-CB 4.13Å; F68-C211 CarbonylContact O-C 3.59Å; F68-C211 VanDerWaalsContact O-CA 3.31Å; F68-C211 WeakPolarHBondContact O-CA 3.28Å |
| 212 | S | 91.3 | Very high | 88.7 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 135.8 | 175.7 | -63.7 | 0 | 0 | 0 | 0 | 110.1 | F68 | F68-S212 PolarHBondContact N-O 2.93Å; F68-S212 PolarHBondContact O-N 3.32Å |
| 213 | M | 91.4 | Very high | 88.9 | Confident | 116 Ų | 116 | 47.9 Ų | 47.9 | 57% | 0.571 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136.6 | -174.5 | -170.7 | 170 | 69.7 | 0 | 0 | 110.5 | L66 L67 | L66-M213 CarbonylContact O-C 3.58Å; L66-M213 VanDerWaalsContact O-CA 3.29Å; L66-M213 WeakPolarHBondContact O-CA 3.23Å; L67-M213 HydrophobicContact CD1-CB 4.18Å |
| 214 | A | 91.4 | Very high | 89 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S65 L66 F68 I82 L203 | S65-A214 CarbonylContact C-O 3.53Å; S65-A214 WeakPolarHBondContact CA-O 3.42Å; S65-A214 WeakPolarHBondContact CB-O 3.36Å; L66-A214 PolarHBondContact N-O 3.09Å; L66-A214 PolarHBondContact O-N 3.18Å; F68-A214 HydrophobicContact CE2-CB 4.46Å; I82-A214 HydrophobicContact CD1-CB 4.38Å; L203-A214 HydrophobicContact CB-CB 4.1Å; L203-A214 HydrophobicContact CD1-CB 3.78Å; L203-A214 HydrophobicContact CG-CB 4.49Å |
| 215 | R | 91.2 | Very high | 89.2 | Confident | 116 Ų | 116 | 53.3 Ų | 53.3 | 44% | 0.438 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 141.5 | 169.6 | -165.6 | -179.2 | -70.5 | 161.7 | -8 | 108.9 | P63 Q88 T201 | P63-R215 HydrophobicContact CB-CG 3.97Å; Q88-R215 VanDerWaalsContact OE1-CG 3.29Å; Q88-R215 PolarHBondContact OE1-O 3.36Å; T201-R215 WeakPolarHBondContact CB-O 3.4Å; T201-R215 HydrophobicContact CG2-CB 4.11Å; T201-R215 WeakPolarHBondContact CG2-O 3.21Å; T201-R215 PolarHBondContact OG1-O 3.01Å |
| 216 | V | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | -25.5 | -176.3 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | I64 L66 L84 Q88 N229 V230 A233 | I64-V216 PolarHBondContact O-N 3Å; L66-V216 HydrophobicContact CB-CG2 4.1Å; L66-V216 HydrophobicContact CD1-CG2 3.7Å; L66-V216 HydrophobicContact CG-CB 4.4Å; L66-V216 HydrophobicContact CG-CG2 3.7Å; L84-V216 WeakPolarHBondContact CD1-O 3.23Å; L84-V216 HydrophobicContact CD2-CG1 4.29Å; Q88-V216 VanDerWaalsContact OE1-N 3.12Å; V216-N229 HydrophobicContact CG1-CB 3.63Å; V216-N229 PolarHBondContact O-ND2 3.49Å; V216-N229 VanDerWaalsContact O-ND2 3.16Å; V216-V230 HydrophobicContact CG1-CG2 4.02Å; V216-A233 HydrophobicContact CG1-CB 4.42Å; V216-A233 HydrophobicContact CG2-CB 4.25Å |
| 217 | A | 90.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 178.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | I64 M221 V226 | I64-A217 HydrophobicContact CB-CB 4.18Å; I64-A217 HydrophobicContact CD1-CB 4.46Å; I64-A217 PolarHBondContact N-O 3.26Å; I64-A217 PolarHBondContact O-N 3.17Å; A217-M221 HydrophobicContact CB-SD 3.69Å; A217-V226 HydrophobicContact CB-CB 4.28Å; A217-V226 HydrophobicContact CB-CG1 3.93Å; A217-V226 HydrophobicContact CB-CG2 3.6Å |
| 218 | H | 88.4 | Confident | 90 | Very high | 39 Ų | 39 | 51.4 Ų | 51.4 | 18% | 0.181 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 168.8 | 167.8 | 62.1 | -91.9 | 0 | 0 | 0 | 110.1 | Q62 Q88 N220 M221 | Q62-H218 CarbonylContact O-C 3.52Å; Q62-H218 WeakPolarHBondContact O-CA 3.45Å; Q88-H218 PolarHBondContact O-ND1 3.16Å; H218-N220 PolarHBondContact CD2-N 3Å; H218-N220 VanDerWaalsContact CD2-N 3.28Å; H218-N220 PolarHBondContact O-N 3.35Å; H218-M221 WeakPolarHBondContact CE1-CG 3.24Å; H218-M221 WeakPolarHBondContact ND1-CG 3.13Å; H218-M221 WeakPolarHBondContact NE2-CG 3.48Å; H218-M221 PolarHBondContact O-N 3.19Å |
| 219 | S | 85.9 | Confident | 90.4 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.3 | -175.3 | 53 | 0 | 0 | 0 | 0 | 114.8 | G61 Q62 M221 | G61-S219 VanDerWaalsContact C-OG 3.28Å; G61-S219 WeakPolarHBondContact CA-OG 2.89Å; Q62-S219 PolarHBondContact N-OG 3.45Å; Q62-S219 PolarHBondContact O-N 3.48Å; S219-M221 VanDerWaalsContact C-N 3.32Å |
| 220 | N | 85.4 | Confident | 90.7 | Very high | 93 Ų | 93 | 39.7 Ų | 39.7 | 50% | 0.497 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -4.8 | -172 | -50.8 | -9 | 0 | 0 | 0 | 112.6 | H218 | H218-N220 PolarHBondContact CD2-N 3Å; H218-N220 VanDerWaalsContact CD2-N 3.28Å; H218-N220 PolarHBondContact O-N 3.35Å |
| 221 | M | 87.9 | Confident | 90.9 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 9% | 0.094 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -76.7 | 153.1 | 173.9 | -56.7 | -171.5 | 110.8 | 0 | 0 | 112 | Q44 H86 G87 A217 H218 S219 V226 | Q44-M221 PolarHBondContact NE2-O 2.67Å; H86-M221 HydrophobicContact CB-CE 4.04Å; G87-M221 WeakPolarHBondContact O-CE 3.32Å; A217-M221 HydrophobicContact CB-SD 3.69Å; H218-M221 WeakPolarHBondContact CE1-CG 3.24Å; H218-M221 WeakPolarHBondContact ND1-CG 3.13Å; H218-M221 WeakPolarHBondContact NE2-CG 3.48Å; H218-M221 PolarHBondContact O-N 3.19Å; S219-M221 VanDerWaalsContact C-N 3.32Å; M221-V226 HydrophobicContact CB-CG2 3.77Å |
| 222 | T | 91.4 | Very high | 91 | Very high | 75 Ų | 75 | 36.2 Ų | 36.2 | 46% | 0.46 | 19% | 0.186 | S | C | . | . | trans | -70.4 | 150.1 | 176.1 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | D224 E225 V226 | T222-D224 PolarHBondContact O-N 3.21Å; T222-E225 PolarHBondContact N-OE2 2.99Å; T222-E225 PolarHBondContact O-N 3.46Å; T222-E225 WeakPolarHBondContact OG1-CB 3.4Å; T222-E225 WeakPolarHBondContact OG1-CG 3.29Å; T222-E225 PolarHBondContact OG1-N 3.03Å; T222-E225 PolarHBondContact OG1-OE2 3.28Å; T222-V226 WeakPolarHBondContact O-CG2 3.49Å; T222-V226 PolarHBondContact O-N 3.19Å; T222-V226 VanDerWaalsContact O-N 3.11Å | ||
| 223 | A | 91.8 | Very high | 91.1 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 13% | 0.132 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58 | -34 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | V40 Q41 T227 | V40-A223 HydrophobicContact CG1-CB 4.01Å; Q41-A223 HydrophobicContact CG-CB 4.21Å; A223-T227 WeakPolarHBondContact O-CG2 3.47Å; A223-T227 PolarHBondContact O-N 3.27Å |
| 224 | D | 92.3 | Very high | 91 | Very high | 70 Ų | 70 | 30.6 Ų | 30.6 | 37% | 0.374 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -71.4 | -45.1 | -179.5 | -67.6 | -41 | 0 | 0 | 0 | 111.7 | K37 T222 V226 T227 E228 | K37-D224 WeakPolarHBondContact CE-OD1 3.28Å; K37-D224 IonicContact NZ-OD1 2.63Å; K37-D224 PolarHBondContact NZ-OD1 3.45Å; K37-D224 IonicContact NZ-OD2 3.28Å; T222-D224 PolarHBondContact O-N 3.21Å; D224-V226 VanDerWaalsContact C-N 3.29Å; D224-V226 PolarHBondContact O-N 3.1Å; D224-T227 PolarHBondContact O-N 3Å; D224-T227 VanDerWaalsContact O-N 3.09Å; D224-T227 PolarHBondContact O-OG1 2.99Å; D224-E228 PolarHBondContact O-N 2.93Å |
| 225 | E | 92.3 | Very high | 91 | Very high | 65 Ų | 65 | 38.3 Ų | 38.3 | 30% | 0.304 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.1 | -40.8 | 174.1 | -70.2 | 162.8 | 161.4 | 0 | 0 | 111.9 | H86 T222 T227 E228 N229 | H86-E225 HydrophobicContact CB-CB 4.32Å; T222-E225 PolarHBondContact N-OE2 2.99Å; T222-E225 PolarHBondContact O-N 3.46Å; T222-E225 WeakPolarHBondContact OG1-CB 3.4Å; T222-E225 WeakPolarHBondContact OG1-CG 3.29Å; T222-E225 PolarHBondContact OG1-N 3.03Å; T222-E225 PolarHBondContact OG1-OE2 3.28Å; E225-T227 VanDerWaalsContact C-N 3.33Å; E225-T227 PolarHBondContact O-N 3.35Å; E225-E228 PolarHBondContact O-N 3.43Å; E225-N229 WeakPolarHBondContact O-CB 3.33Å; E225-N229 PolarHBondContact O-N 3.1Å |
| 226 | V | 92.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 176.6 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | V40 A217 M221 T222 D224 E228 N229 V230 | V40-V226 HydrophobicContact CB-CG1 4.49Å; V40-V226 HydrophobicContact CG1-CB 3.87Å; V40-V226 HydrophobicContact CG1-CG1 3.84Å; V40-V226 HydrophobicContact CG1-CG2 4.5Å; V40-V226 HydrophobicContact CG2-CB 4.41Å; V40-V226 HydrophobicContact CG2-CG1 3.73Å; A217-V226 HydrophobicContact CB-CB 4.28Å; A217-V226 HydrophobicContact CB-CG1 3.93Å; A217-V226 HydrophobicContact CB-CG2 3.6Å; M221-V226 HydrophobicContact CB-CG2 3.77Å; T222-V226 WeakPolarHBondContact O-CG2 3.49Å; T222-V226 PolarHBondContact O-N 3.19Å; T222-V226 VanDerWaalsContact O-N 3.11Å; D224-V226 VanDerWaalsContact C-N 3.29Å; D224-V226 PolarHBondContact O-N 3.1Å; V226-E228 PolarHBondContact O-N 3.37Å; V226-N229 PolarHBondContact O-N 3.03Å; V226-V230 HydrophobicContact CG1-CG2 4.34Å; V226-V230 VanDerWaalsContact O-CG2 3.25Å; V226-V230 WeakPolarHBondContact O-CG2 3.38Å; V226-V230 PolarHBondContact O-N 3.37Å |
| 227 | T | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.3 | 62.8 | 0 | 0 | 0 | 0 | 111.9 | V36 K37 V40 A223 D224 E225 V230 E231 | V36-T227 HydrophobicContact CG1-CG2 3.95Å; K37-T227 HydrophobicContact CB-CG2 3.9Å; K37-T227 HydrophobicContact CG-CG2 4.31Å; V40-T227 HydrophobicContact CG2-CG2 4.26Å; A223-T227 WeakPolarHBondContact O-CG2 3.47Å; A223-T227 PolarHBondContact O-N 3.27Å; D224-T227 PolarHBondContact O-N 3Å; D224-T227 VanDerWaalsContact O-N 3.09Å; D224-T227 PolarHBondContact O-OG1 2.99Å; E225-T227 VanDerWaalsContact C-N 3.33Å; E225-T227 PolarHBondContact O-N 3.35Å; T227-V230 PolarHBondContact O-N 3.4Å; T227-E231 WeakPolarHBondContact O-CG 3.29Å; T227-E231 PolarHBondContact O-N 3.22Å |
| 228 | E | 93.2 | Very high | 90.6 | Very high | 78 Ų | 78 | 35.6 Ų | 35.6 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 177.5 | -69.5 | 179.8 | -177.2 | 0 | 0 | 111.9 | P85 H86 D224 E225 V226 V230 E231 A232 | P85-E228 HydrophobicContact CG-CB 4.4Å; H86-E228 IonicContact CD2-OE2 3.31Å; H86-E228 IonicContact CE1-OE2 3.79Å; H86-E228 IonicContact NE2-OE2 2.77Å; H86-E228 PolarHBondContact NE2-OE2 3.19Å; D224-E228 PolarHBondContact O-N 2.93Å; E225-E228 PolarHBondContact O-N 3.43Å; V226-E228 PolarHBondContact O-N 3.37Å; E228-V230 PolarHBondContact O-N 2.89Å; E228-E231 PolarHBondContact O-N 2.86Å; E228-A232 WeakPolarHBondContact O-CB 3.45Å; E228-A232 PolarHBondContact O-N 3.25Å |
| 229 | N | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 174.4 | -82.5 | -1.1 | 0 | 0 | 0 | 112 | L84 P85 H86 V216 E225 V226 A232 A233 | L84-N229 HydrophobicContact CD2-CB 4.24Å; P85-N229 WeakPolarHBondContact CD-OD1 3.48Å; P85-N229 VanDerWaalsContact CG-OD1 3.23Å; P85-N229 WeakPolarHBondContact CG-OD1 3.44Å; H86-N229 WeakPolarHBondContact CB-OD1 3.38Å; H86-N229 PolarHBondContact N-OD1 3.04Å; H86-N229 PolarHBondContact O-ND2 3.4Å; H86-N229 PolarHBondContact O-OD1 3.46Å; V216-N229 HydrophobicContact CG1-CB 3.63Å; V216-N229 PolarHBondContact O-ND2 3.49Å; V216-N229 VanDerWaalsContact O-ND2 3.16Å; E225-N229 WeakPolarHBondContact O-CB 3.33Å; E225-N229 PolarHBondContact O-N 3.1Å; V226-N229 PolarHBondContact O-N 3.03Å; N229-A232 PolarHBondContact O-N 3.38Å; N229-A233 VanDerWaalsContact O-CB 3.22Å; N229-A233 WeakPolarHBondContact O-CB 3.07Å; N229-A233 PolarHBondContact O-N 3.46Å |
| 230 | V | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | 177.8 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | V36 L66 V216 V226 T227 E228 A233 V234 L253 I263 | V36-V230 HydrophobicContact CG1-CB 4.15Å; V36-V230 HydrophobicContact CG1-CG1 3.9Å; L66-V230 HydrophobicContact CD1-CB 4.34Å; L66-V230 HydrophobicContact CD1-CG1 3.97Å; L66-V230 HydrophobicContact CD1-CG2 4.17Å; L66-V230 HydrophobicContact CD2-CG1 4.1Å; L66-V230 HydrophobicContact CD2-CG2 4.12Å; L66-V230 HydrophobicContact CG-CG2 4.35Å; V216-V230 HydrophobicContact CG1-CG2 4.02Å; V226-V230 HydrophobicContact CG1-CG2 4.34Å; V226-V230 VanDerWaalsContact O-CG2 3.25Å; V226-V230 WeakPolarHBondContact O-CG2 3.38Å; V226-V230 PolarHBondContact O-N 3.37Å; T227-V230 PolarHBondContact O-N 3.4Å; E228-V230 PolarHBondContact O-N 2.89Å; V230-A233 PolarHBondContact O-N 3.31Å; V230-V234 WeakPolarHBondContact O-CG2 3.4Å; V230-V234 PolarHBondContact O-N 3.22Å; V230-L253 HydrophobicContact CG2-CD1 4.3Å; V230-I263 HydrophobicContact CG1-CD1 4.19Å |
| 231 | E | 92 | Very high | 90.4 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.1 | -48.5 | 177 | -72.9 | -177.9 | -163.9 | 0 | 0 | 111.9 | R33 T227 E228 A233 V234 R235 | R33-E231 VanDerWaalsContact CD-OE1 3.29Å; R33-E231 WeakPolarHBondContact CD-OE1 3.48Å; R33-E231 VanDerWaalsContact CG-OE1 3.25Å; R33-E231 WeakPolarHBondContact CG-OE1 3.23Å; R33-E231 IonicContact NE-OE1 3.76Å; T227-E231 WeakPolarHBondContact O-CG 3.29Å; T227-E231 PolarHBondContact O-N 3.22Å; E228-E231 PolarHBondContact O-N 2.86Å; E231-A233 VanDerWaalsContact C-N 3.29Å; E231-A233 PolarHBondContact O-N 3.21Å; E231-V234 PolarHBondContact O-N 2.8Å; E231-R235 WeakPolarHBondContact O-CB 3.29Å; E231-R235 VanDerWaalsContact O-CG 3.31Å; E231-R235 WeakPolarHBondContact O-CG 3.29Å; E231-R235 PolarHBondContact O-N 2.87Å; E231-R235 IonicContact OE2-CZ 3.66Å; E231-R235 IonicContact OE2-NH1 2.77Å; E231-R235 IonicContact OE2-NH2 3.6Å; E231-R235 PolarHBondContact OE2-NH2 3.47Å |
| 232 | A | 92.1 | Very high | 89.9 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P85 E228 N229 T236 | P85-A232 HydrophobicContact CG-CB 4.22Å; E228-A232 WeakPolarHBondContact O-CB 3.45Å; E228-A232 PolarHBondContact O-N 3.25Å; N229-A232 PolarHBondContact O-N 3.38Å; A232-T236 WeakPolarHBondContact O-CB 3.4Å; A232-T236 PolarHBondContact O-N 3.45Å; A232-T236 PolarHBondContact O-OG1 2.79Å |
| 233 | A | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -47.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L66 I82 L84 V216 N229 V230 E231 T236 V237 | L66-A233 HydrophobicContact CD1-CB 4.09Å; I82-A233 HydrophobicContact CG2-CB 3.9Å; L84-A233 HydrophobicContact CD2-CB 4.2Å; V216-A233 HydrophobicContact CG1-CB 4.42Å; V216-A233 HydrophobicContact CG2-CB 4.25Å; N229-A233 VanDerWaalsContact O-CB 3.22Å; N229-A233 WeakPolarHBondContact O-CB 3.07Å; N229-A233 PolarHBondContact O-N 3.46Å; V230-A233 PolarHBondContact O-N 3.31Å; E231-A233 VanDerWaalsContact C-N 3.29Å; E231-A233 PolarHBondContact O-N 3.21Å; A233-T236 PolarHBondContact O-N 3.32Å; A233-V237 WeakPolarHBondContact O-CB 3.38Å; A233-V237 WeakPolarHBondContact O-CG2 3.43Å; A233-V237 PolarHBondContact O-N 3.1Å |
| 234 | V | 90.8 | Very high | 87.8 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -43.5 | -179.9 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | V29 L31 L66 F68 V230 E231 T236 V237 A238 I251 | V29-V234 HydrophobicContact CB-CG1 4.16Å; V29-V234 HydrophobicContact CG1-CG1 4.32Å; V29-V234 HydrophobicContact CG2-CG1 4.5Å; L31-V234 HydrophobicContact CD1-CB 3.6Å; L31-V234 HydrophobicContact CD1-CG1 3.69Å; L31-V234 HydrophobicContact CD1-CG2 3.83Å; L31-V234 HydrophobicContact CD2-CG1 4.47Å; L31-V234 HydrophobicContact CG-CG1 4.26Å; L66-V234 HydrophobicContact CD1-CG2 4.3Å; F68-V234 HydrophobicContact CE1-CG2 4.07Å; F68-V234 HydrophobicContact CZ-CG2 4.3Å; V230-V234 WeakPolarHBondContact O-CG2 3.4Å; V230-V234 PolarHBondContact O-N 3.22Å; E231-V234 PolarHBondContact O-N 2.8Å; V234-T236 VanDerWaalsContact C-N 3.32Å; V234-T236 PolarHBondContact O-N 2.88Å; V234-V237 PolarHBondContact O-N 2.9Å; V234-A238 WeakPolarHBondContact O-CB 3.45Å; V234-A238 PolarHBondContact O-N 2.9Å; V234-I251 HydrophobicContact CB-CD1 4.46Å; V234-I251 HydrophobicContact CG1-CD1 3.73Å; V234-I251 HydrophobicContact CG2-CD1 3.8Å |
| 235 | R | 90 | Very high | 86.7 | Confident | 164 Ų | 164 | 51.9 Ų | 51.9 | 62% | 0.619 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -56.3 | -47.4 | 174.4 | -72.1 | 178.1 | -168.3 | 131.4 | 11.4 | 111.1 | E231 V237 A238 A239 | E231-R235 WeakPolarHBondContact O-CB 3.29Å; E231-R235 VanDerWaalsContact O-CG 3.31Å; E231-R235 WeakPolarHBondContact O-CG 3.29Å; E231-R235 PolarHBondContact O-N 2.87Å; E231-R235 IonicContact OE2-CZ 3.66Å; E231-R235 IonicContact OE2-NH1 2.77Å; E231-R235 IonicContact OE2-NH2 3.6Å; E231-R235 PolarHBondContact OE2-NH2 3.47Å; R235-V237 PolarHBondContact O-N 2.89Å; R235-A238 PolarHBondContact O-N 2.95Å; R235-A239 WeakPolarHBondContact O-CB 3.36Å; R235-A239 PolarHBondContact O-N 2.9Å |
| 236 | T | 89.7 | Confident | 85.5 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 14% | 0.141 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66 | -41.2 | -179.5 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | I82 A232 A233 V234 A239 K240 | I82-T236 HydrophobicContact CG1-CG2 4.33Å; I82-T236 HydrophobicContact CG2-CG2 4.49Å; A232-T236 WeakPolarHBondContact O-CB 3.4Å; A232-T236 PolarHBondContact O-N 3.45Å; A232-T236 PolarHBondContact O-OG1 2.79Å; A233-T236 PolarHBondContact O-N 3.32Å; V234-T236 VanDerWaalsContact C-N 3.32Å; V234-T236 PolarHBondContact O-N 2.88Å; T236-A239 PolarHBondContact O-N 2.81Å; T236-K240 HydrophobicContact CG2-CD 3.65Å; T236-K240 HydrophobicContact CG2-CG 4.2Å; T236-K240 WeakPolarHBondContact O-CB 3.44Å; T236-K240 WeakPolarHBondContact O-CG 3.43Å; T236-K240 PolarHBondContact O-N 2.8Å |
| 237 | V | 88.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 179 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | F68 I82 L203 A233 V234 R235 A239 K240 L241 | F68-V237 HydrophobicContact CD1-CG1 4.24Å; F68-V237 HydrophobicContact CE1-CB 4.28Å; F68-V237 HydrophobicContact CE1-CG1 4.1Å; F68-V237 HydrophobicContact CE1-CG2 4.39Å; F68-V237 HydrophobicContact CE2-CG2 4.34Å; F68-V237 HydrophobicContact CZ-CB 4.35Å; F68-V237 HydrophobicContact CZ-CG1 4.45Å; F68-V237 HydrophobicContact CZ-CG2 3.98Å; I82-V237 HydrophobicContact CD1-CG2 3.49Å; I82-V237 VanDerWaalsContact CD1-CG2 3.49Å; I82-V237 HydrophobicContact CG1-CG2 4.07Å; L203-V237 HydrophobicContact CD2-CB 4.45Å; L203-V237 HydrophobicContact CD2-CG1 3.84Å; L203-V237 HydrophobicContact CD2-CG2 3.65Å; A233-V237 WeakPolarHBondContact O-CB 3.38Å; A233-V237 WeakPolarHBondContact O-CG2 3.43Å; A233-V237 PolarHBondContact O-N 3.1Å; V234-V237 PolarHBondContact O-N 2.9Å; R235-V237 PolarHBondContact O-N 2.89Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 2.79Å; V237-K240 PolarHBondContact O-N 2.95Å; V237-L241 VanDerWaalsContact O-CB 3.24Å; V237-L241 WeakPolarHBondContact O-CB 3.47Å; V237-L241 PolarHBondContact O-N 3.25Å; V237-L241 VanDerWaalsContact O-N 3.12Å |
| 238 | A | 85.7 | Confident | 84.5 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V29 V234 R235 | V29-A238 HydrophobicContact CG2-CB 4.22Å; V234-A238 WeakPolarHBondContact O-CB 3.45Å; V234-A238 PolarHBondContact O-N 2.9Å; R235-A238 PolarHBondContact O-N 2.95Å |
| 239 | A | 87.4 | Confident | 84.1 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 56% | 0.562 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -71.2 | -39.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R235 T236 V237 | R235-A239 WeakPolarHBondContact O-CB 3.36Å; R235-A239 PolarHBondContact O-N 2.9Å; T236-A239 PolarHBondContact O-N 2.81Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 2.79Å |
| 240 | K | 86.3 | Confident | 84 | Confident | 93 Ų | 93 | 53 Ų | 53 | 40% | 0.404 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -89.6 | -10.2 | -172.9 | -68.6 | -175.2 | -175.5 | 172.5 | 0 | 114.3 | I80 R81 T236 V237 R242 | I80-K240 HydrophobicContact CG1-CB 4.43Å; I80-K240 HydrophobicContact CG2-CB 3.65Å; I80-K240 HydrophobicContact CG2-CD 3.8Å; I80-K240 HydrophobicContact CG2-CG 4.33Å; R81-K240 PolarHBondContact O-NZ 3.26Å; T236-K240 HydrophobicContact CG2-CD 3.65Å; T236-K240 HydrophobicContact CG2-CG 4.2Å; T236-K240 WeakPolarHBondContact O-CB 3.44Å; T236-K240 WeakPolarHBondContact O-CG 3.43Å; T236-K240 PolarHBondContact O-N 2.8Å; V237-K240 PolarHBondContact O-N 2.95Å; K240-R242 PolarHBondContact O-N 3.15Å |
| 241 | L | 83.3 | Confident | 84 | Confident | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | trans | -71.9 | 111.5 | -179.4 | -170.1 | 59.3 | 0 | 0 | 0 | 109.7 | L70 I80 V205 V237 M243 I247 | L70-L241 HydrophobicContact CD2-CD2 4.12Å; I80-L241 HydrophobicContact CD1-CB 4.42Å; I80-L241 HydrophobicContact CD1-CD1 4.07Å; V205-L241 HydrophobicContact CG2-CD1 4.41Å; V237-L241 VanDerWaalsContact O-CB 3.24Å; V237-L241 WeakPolarHBondContact O-CB 3.47Å; V237-L241 PolarHBondContact O-N 3.25Å; V237-L241 VanDerWaalsContact O-N 3.12Å; L241-M243 HydrophobicContact CD1-CE 4Å; L241-M243 HydrophobicContact CD2-CE 3.98Å; L241-M243 HydrophobicContact CG-CE 4Å; L241-M243 PolarHBondContact O-N 2.79Å; L241-I247 HydrophobicContact CD2-CB 3.93Å; L241-I247 HydrophobicContact CD2-CD1 3.74Å; L241-I247 HydrophobicContact CD2-CG1 4.31Å; L241-I247 HydrophobicContact CD2-CG2 3.96Å; L241-I247 HydrophobicContact CG-CD1 4.1Å | ||
| 242 | R | 76.3 | Confident | 84 | Confident | 211 Ų | 211 | 53.6 Ų | 53.6 | 80% | 0.796 | 27% | 0.268 | S | S | * | . | trans | -79.9 | 61.1 | -175.6 | -54.6 | 177 | 176.9 | -173.2 | -4.2 | 111.4 | K240 | K240-R242 PolarHBondContact O-N 3.15Š| ||
| 243 | M | 74.4 | Confident | 84.1 | Confident | 41 Ų | 41 | 52.7 Ų | 52.7 | 20% | 0.202 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -139.2 | 151.7 | 174.4 | -72 | -162.5 | -74.3 | 0 | 0 | 109.4 | L70 P74 L241 I247 | L70-M243 HydrophobicContact CD1-CE 4.17Å; P74-M243 HydrophobicContact CB-CE 4.05Å; P74-M243 HydrophobicContact CB-CG 4.48Å; P74-M243 HydrophobicContact CB-SD 3.79Å; P74-M243 HydrophobicContact CG-CE 4.47Å; L241-M243 HydrophobicContact CD1-CE 4Å; L241-M243 HydrophobicContact CD2-CE 3.98Å; L241-M243 HydrophobicContact CG-CE 4Å; L241-M243 PolarHBondContact O-N 2.79Å; M243-I247 HydrophobicContact CB-CD1 3.44Å; M243-I247 VanDerWaalsContact CB-CD1 3.44Å; M243-I247 HydrophobicContact CB-CG1 3.78Å; M243-I247 HydrophobicContact CE-CB 4.31Å; M243-I247 HydrophobicContact CE-CD1 4.44Å; M243-I247 HydrophobicContact CE-CG1 4.11Å; M243-I247 HydrophobicContact CE-CG2 3.4Å |
| 244 | K | 65.6 | Low | 84.1 | Confident | 204 Ų | 204 | 56.4 Ų | 56.4 | 89% | 0.887 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -85.9 | 128.5 | -177.1 | -59.3 | -173.7 | 177.5 | -168.6 | 0 | 110.2 | ||
| 245 | G | 67.9 | Low | 84 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 45% | 0.454 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 91.9 | -177.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | I247 | G245-I247 WeakPolarHBondContact O-CD1 3.39Å; G245-I247 VanDerWaalsContact O-CG1 3.32Å; G245-I247 WeakPolarHBondContact O-CG1 3.47Å; G245-I247 PolarHBondContact O-N 2.85Å |
| 246 | S | 67.9 | Low | 83.8 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | trans | -68.3 | 98.7 | 175.8 | 166.8 | 0 | 0 | 0 | 0 | 111.4 | R270 | S246-R270 VanDerWaalsContact OG-CD 3.24Å; S246-R270 WeakPolarHBondContact OG-CD 3.31Å; S246-R270 PolarHBondContact OG-NH1 3.49Å | ||
| 247 | I | 78.9 | Confident | 83.5 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 9% | 0.087 | 29% | 0.292 | C | S | . | . | trans | -90.1 | -33.8 | -177.1 | -56 | 119.4 | 0 | 0 | 0 | 112.5 | L70 W71 L241 M243 G245 K249 | L70-I247 WeakPolarHBondContact CA-O 3.44Å; L70-I247 HydrophobicContact CB-CG2 3.85Å; L70-I247 HydrophobicContact CD1-CG2 4.32Å; L70-I247 HydrophobicContact CD2-CG2 3.81Å; L70-I247 HydrophobicContact CG-CG2 4.18Å; W71-I247 PolarHBondContact N-O 2.87Å; L241-I247 HydrophobicContact CD2-CB 3.93Å; L241-I247 HydrophobicContact CD2-CD1 3.74Å; L241-I247 HydrophobicContact CD2-CG1 4.31Å; L241-I247 HydrophobicContact CD2-CG2 3.96Å; L241-I247 HydrophobicContact CG-CD1 4.1Å; M243-I247 HydrophobicContact CB-CD1 3.44Å; M243-I247 VanDerWaalsContact CB-CD1 3.44Å; M243-I247 HydrophobicContact CB-CG1 3.78Å; M243-I247 HydrophobicContact CE-CB 4.31Å; M243-I247 HydrophobicContact CE-CD1 4.44Å; M243-I247 HydrophobicContact CE-CG1 4.11Å; M243-I247 HydrophobicContact CE-CG2 3.4Å; G245-I247 WeakPolarHBondContact O-CD1 3.39Å; G245-I247 VanDerWaalsContact O-CG1 3.32Å; G245-I247 WeakPolarHBondContact O-CG1 3.47Å; G245-I247 PolarHBondContact O-N 2.85Å; I247-K249 PolarHBondContact O-N 3.45Å | ||
| 248 | V | 85.4 | Confident | 83.4 | Confident | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 120.6 | -172.5 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | L70 I251 Y264 S266 | L70-V248 HydrophobicContact CD2-CG2 4.24Å; V248-I251 HydrophobicContact CG1-CD1 3.93Å; V248-I251 HydrophobicContact CG1-CG1 3.53Å; V248-Y264 HydrophobicContact CG1-CD1 4.29Å; V248-Y264 HydrophobicContact CG1-CE1 4.4Å; V248-S266 WeakPolarHBondContact O-CB 3.26Å |
| 249 | K | 86.1 | Confident | 83.5 | Confident | 81 Ų | 81 | 60.9 Ų | 60.9 | 35% | 0.352 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -49.3 | 176.6 | 176.5 | 174.8 | -179.5 | -180 | 0 | 111.2 | T69 W71 I247 S266 | T69-K249 HydrophobicContact CG2-CB 4.44Å; T69-K249 HydrophobicContact CG2-CD 4.33Å; T69-K249 WeakPolarHBondContact O-CA 3.5Å; T69-K249 WeakPolarHBondContact O-CB 3.39Å; T69-K249 PolarHBondContact O-N 2.85Å; W71-K249 HydrophobicContact CD2-CB 3.96Å; W71-K249 HydrophobicContact CD2-CD 3.97Å; W71-K249 HydrophobicContact CD2-CG 4.03Å; W71-K249 HydrophobicContact CE3-CD 3.93Å; W71-K249 HydrophobicContact CE3-CG 4.47Å; W71-K249 HydrophobicContact CG-CB 3.98Å; W71-K249 HydrophobicContact CH2-CD 3.69Å; W71-K249 VanDerWaalsContact CH2-CE 3.46Å; W71-K249 HydrophobicContact CH2-CG 4Å; W71-K249 HydrophobicContact CZ2-CB 4.23Å; W71-K249 HydrophobicContact CZ2-CD 3.79Å; W71-K249 HydrophobicContact CZ2-CG 3.55Å; W71-K249 HydrophobicContact CZ3-CD 3.79Å; W71-K249 HydrophobicContact CZ3-CG 4.46Å; I247-K249 PolarHBondContact O-N 3.45Å; K249-S266 WeakPolarHBondContact CA-OG 2.99Å; K249-S266 PolarHBondContact O-N 3.29Å; K249-S266 PolarHBondContact O-OG 2.8Å |
| 250 | L | 90.1 | Very high | 83.7 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 134.7 | -167.7 | -168 | 65.2 | 0 | 0 | 0 | 109.2 | T69 H252 Y264 T265 | T69-L250 PolarHBondContact N-O 3.22Å; T69-L250 PolarHBondContact O-N 3.01Å; L250-H252 VanDerWaalsContact CD2-CE1 3.47Å; L250-H252 WeakPolarHBondContact CD2-CE1 3.44Å; L250-H252 WeakPolarHBondContact CD2-NE2 3.4Å; L250-H252 VanDerWaalsContact CG-CD2 3.46Å; L250-H252 WeakPolarHBondContact CG-CD2 3.49Å; L250-H252 WeakPolarHBondContact CG-NE2 3.41Å; L250-Y264 CarbonylContact C-O 3.49Å; L250-Y264 VanDerWaalsContact CA-O 3.29Å; L250-Y264 WeakPolarHBondContact CA-O 3.44Å; L250-Y264 WeakPolarHBondContact CD1-O 3.18Å; L250-T265 HydrophobicContact CD1-CG2 3.33Å |
| 251 | I | 92.5 | Very high | 84 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.5 | 173.2 | -52.6 | 174.7 | 0 | 0 | 0 | 107.5 | L31 L66 L67 F68 V234 V248 I263 Y264 | L31-I251 HydrophobicContact CD2-CD1 4.36Å; L66-I251 HydrophobicContact CD2-CG2 4.15Å; L67-I251 WeakPolarHBondContact O-CA 3.3Å; F68-I251 HydrophobicContact CD1-CD1 4.34Å; F68-I251 HydrophobicContact CD1-CG1 4.07Å; F68-I251 HydrophobicContact CD1-CG2 4.46Å; F68-I251 HydrophobicContact CE1-CD1 4.14Å; F68-I251 HydrophobicContact CE1-CG1 4.29Å; F68-I251 HydrophobicContact CE1-CG2 4.29Å; V234-I251 HydrophobicContact CB-CD1 4.46Å; V234-I251 HydrophobicContact CG1-CD1 3.73Å; V234-I251 HydrophobicContact CG2-CD1 3.8Å; V248-I251 HydrophobicContact CG1-CD1 3.93Å; V248-I251 HydrophobicContact CG1-CG1 3.53Å; I251-I263 PolarHBondContact O-N 3.18Å; I251-Y264 HydrophobicContact CD1-CD1 4.07Å; I251-Y264 HydrophobicContact CD1-CG 4.25Å; I251-Y264 HydrophobicContact CG1-CD1 4.06Å; I251-Y264 HydrophobicContact CG1-CG 4.47Å; I251-Y264 PolarHBondContact N-O 2.95Å; I251-Y264 PolarHBondContact O-N 3.09Å |
| 252 | H | 93.5 | Very high | 84.4 | Confident | 36 Ų | 36 | 59.4 Ų | 59.4 | 17% | 0.167 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 145.4 | 174.4 | -64.4 | 179.2 | 0 | 0 | 0 | 111.3 | L66 L67 L250 A260 L261 | L66-H252 CarbonylContact C-O 3.55Å; L66-H252 WeakPolarHBondContact CA-O 3.44Å; L67-H252 HydrophobicContact CB-CB 4.2Å; L67-H252 PolarHBondContact N-O 3.18Å; L67-H252 PolarHBondContact O-N 2.89Å; L250-H252 VanDerWaalsContact CD2-CE1 3.47Å; L250-H252 WeakPolarHBondContact CD2-CE1 3.44Å; L250-H252 WeakPolarHBondContact CD2-NE2 3.4Å; L250-H252 VanDerWaalsContact CG-CD2 3.46Å; L250-H252 WeakPolarHBondContact CG-CD2 3.49Å; L250-H252 WeakPolarHBondContact CG-NE2 3.41Å; H252-A260 HydrophobicContact CB-CB 3.97Å; H252-L261 CarbonylContact C-O 3.6Å; H252-L261 VanDerWaalsContact CA-O 3.26Å; H252-L261 WeakPolarHBondContact CA-O 3.47Å |
| 253 | L | 93.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 128.2 | 167.4 | -167.9 | 70.9 | 0 | 0 | 0 | 109.3 | A39 V40 L43 I64 L66 V230 A260 L261 I263 | A39-L253 HydrophobicContact CB-CD2 4.45Å; V40-L253 HydrophobicContact CB-CD2 4.47Å; V40-L253 HydrophobicContact CG2-CD2 3.73Å; L43-L253 HydrophobicContact CD2-CD2 3.82Å; L43-L253 HydrophobicContact CD2-CG 3.84Å; I64-L253 HydrophobicContact CG2-CD1 3.56Å; I64-L253 HydrophobicContact CG2-CG 4.06Å; L66-L253 HydrophobicContact CD2-CB 4.4Å; L66-L253 HydrophobicContact CD2-CD1 3.5Å; L66-L253 VanDerWaalsContact CD2-CD1 3.5Å; L66-L253 HydrophobicContact CG-CD1 4.34Å; V230-L253 HydrophobicContact CG2-CD1 4.3Å; L253-A260 CarbonylContact O-C 3.6Å; L253-A260 WeakPolarHBondContact O-CA 3.37Å; L253-L261 PolarHBondContact N-O 3.18Å; L253-L261 PolarHBondContact O-N 3.44Å; L253-I263 HydrophobicContact CB-CD1 3.66Å; L253-I263 HydrophobicContact CB-CG1 4.19Å; L253-I263 HydrophobicContact CD1-CD1 4.32Å; L253-I263 HydrophobicContact CD2-CD1 4.32Å; L253-I263 HydrophobicContact CG-CD1 4.32Å |
| 254 | K | 92.4 | Very high | 85.8 | Confident | 78 Ų | 78 | 48.4 Ų | 48.4 | 34% | 0.339 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 141.4 | -177.2 | 173.2 | 167.4 | 177.6 | 173.8 | 0 | 111.3 | S65 S258 A260 | S65-K254 CarbonylContact C-O 3.44Å; S65-K254 WeakPolarHBondContact CA-O 3.36Å; S65-K254 PolarHBondContact N-O 3.32Å; S65-K254 PolarHBondContact O-N 2.92Å; K254-S258 VanDerWaalsContact CE-O 3.3Å; K254-S258 WeakPolarHBondContact CE-O 3.24Å; K254-A260 HydrophobicContact CB-CB 4.21Å; K254-A260 HydrophobicContact CD-CB 4.27Å |
| 255 | S | 88.9 | Confident | 86.8 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 171.2 | 162.6 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | P63 T257 S258 | P63-S255 PolarHBondContact O-OG 3.2Å; S255-T257 PolarHBondContact O-N 2.89Å; S255-S258 PolarHBondContact N-OG 3.35Å; S255-S258 PolarHBondContact O-N 2.99Å |
| 256 | L | 85 | Confident | 87.4 | Confident | 140 Ų | 140 | 41.4 Ų | 41.4 | 73% | 0.733 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -52.4 | -41.7 | -179.4 | -176.8 | 61.2 | 0 | 0 | 0 | 112.4 | ||
| 257 | T | 84.4 | Confident | 87.5 | Confident | 57 Ų | 57 | 45.7 Ų | 45.7 | 35% | 0.35 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -108 | -1.5 | -174.2 | 74.3 | 0 | 0 | 0 | 0 | 114.9 | K50 S255 | K50-T257 PolarHBondContact NZ-OG1 3.33Å; K50-T257 VanDerWaalsContact NZ-OG1 3.17Å; S255-T257 PolarHBondContact O-N 2.89Å |
| 258 | S | 86.7 | Confident | 86.7 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -92.6 | 164.7 | -175.8 | 82.1 | 0 | 0 | 0 | 0 | 113 | L43 K254 S255 | L43-S258 WeakPolarHBondContact CD1-OG 3.27Å; K254-S258 VanDerWaalsContact CE-O 3.3Å; K254-S258 WeakPolarHBondContact CE-O 3.24Å; S255-S258 PolarHBondContact N-OG 3.35Å; S255-S258 PolarHBondContact O-N 2.99Å |
| 259 | V | 88.2 | Confident | 85.2 | Confident | 115 Ų | 115 | 54.5 Ų | 54.5 | 70% | 0.697 | 31% | 0.305 | S | S | * | . | trans | -69.4 | 152.9 | 164.5 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 260 | A | 91.6 | Very high | 83.7 | Confident | 31 Ų | 31 | 54 Ų | 54 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | trans | -85.4 | 115.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | H252 L253 K254 | H252-A260 HydrophobicContact CB-CB 3.97Å; L253-A260 CarbonylContact O-C 3.6Å; L253-A260 WeakPolarHBondContact O-CA 3.37Å; K254-A260 HydrophobicContact CB-CB 4.21Å; K254-A260 HydrophobicContact CD-CB 4.27Å | ||
| 261 | L | 92.6 | Very high | 82.2 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122 | -179.8 | -60.4 | 177.4 | 0 | 0 | 0 | 110.3 | A39 A42 L43 H252 L253 I263 | A39-L261 HydrophobicContact CB-CB 4.27Å; A39-L261 HydrophobicContact CB-CD1 4.18Å; A39-L261 VanDerWaalsContact O-CD1 3.24Å; A39-L261 WeakPolarHBondContact O-CD1 3.36Å; A42-L261 HydrophobicContact CB-CD1 4.26Å; L43-L261 HydrophobicContact CB-CD1 4.22Å; H252-L261 CarbonylContact C-O 3.6Å; H252-L261 VanDerWaalsContact CA-O 3.26Å; H252-L261 WeakPolarHBondContact CA-O 3.47Å; L253-L261 PolarHBondContact N-O 3.18Å; L253-L261 PolarHBondContact O-N 3.44Å; L261-I263 PolarHBondContact O-N 3.5Å |
| 262 | P | 91.6 | Very high | 80.2 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 41% | 0.409 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 122.2 | 178.4 | 29.1 | -33 | 0 | 0 | 0 | 111.4 | Q35 | Q35-P262 PolarHBondContact NE2-O 3.18Å; Q35-P262 VanDerWaalsContact NE2-O 3.16Å |
| 263 | I | 91 | Very high | 78.4 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -37.8 | 174.4 | -68.3 | 179 | 0 | 0 | 0 | 110.7 | L31 Q35 V36 A39 L66 V230 I251 L253 L261 | L31-I263 HydrophobicContact CD2-CG2 4.21Å; Q35-I263 PolarHBondContact NE2-O 2.98Å; Q35-I263 PolarHBondContact OE1-O 3.02Å; V36-I263 HydrophobicContact CB-CG2 4.49Å; V36-I263 HydrophobicContact CG1-CD1 4.32Å; V36-I263 HydrophobicContact CG2-CG2 3.49Å; V36-I263 VanDerWaalsContact CG2-CG2 3.49Å; A39-I263 HydrophobicContact CB-CG1 4.23Å; L66-I263 HydrophobicContact CD2-CD1 4.13Å; V230-I263 HydrophobicContact CG1-CD1 4.19Å; I251-I263 PolarHBondContact O-N 3.18Å; L253-I263 HydrophobicContact CB-CD1 3.66Å; L253-I263 HydrophobicContact CB-CG1 4.19Å; L253-I263 HydrophobicContact CD1-CD1 4.32Å; L253-I263 HydrophobicContact CD2-CD1 4.32Å; L253-I263 HydrophobicContact CG-CD1 4.32Å; L261-I263 PolarHBondContact O-N 3.5Å |
| 264 | Y | 89.1 | Confident | 76.6 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 7% | 0.071 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 128.2 | -175.1 | 174 | -99.4 | 0 | 0 | 0 | 110.5 | V29 P30 L31 V248 L250 I251 R270 | V29-Y264 HydrophobicContact CG1-CD1 3.89Å; V29-Y264 HydrophobicContact CG1-CD2 3.7Å; V29-Y264 HydrophobicContact CG1-CE1 3.72Å; V29-Y264 HydrophobicContact CG1-CE2 3.55Å; V29-Y264 HydrophobicContact CG1-CG 3.87Å; P30-Y264 HydrophobicContact CG-CE2 4.43Å; P30-Y264 WeakPolarHBondContact O-CD2 3.34Å; L31-Y264 HydrophobicContact CD2-CD2 4.18Å; L31-Y264 HydrophobicContact CD2-CG 4.17Å; V248-Y264 HydrophobicContact CG1-CD1 4.29Å; V248-Y264 HydrophobicContact CG1-CE1 4.4Å; L250-Y264 CarbonylContact C-O 3.49Å; L250-Y264 VanDerWaalsContact CA-O 3.29Å; L250-Y264 WeakPolarHBondContact CA-O 3.44Å; L250-Y264 WeakPolarHBondContact CD1-O 3.18Å; I251-Y264 HydrophobicContact CD1-CD1 4.07Å; I251-Y264 HydrophobicContact CD1-CG 4.25Å; I251-Y264 HydrophobicContact CG1-CD1 4.06Å; I251-Y264 HydrophobicContact CG1-CG 4.47Å; I251-Y264 PolarHBondContact N-O 2.95Å; I251-Y264 PolarHBondContact O-N 3.09Å; Y264-R270 PolarHBondContact OH-NH1 2.9Å |
| 265 | T | 86.6 | Confident | 74.8 | Confident | 91 Ų | 91 | 63.7 Ų | 63.7 | 56% | 0.558 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.9 | 171.4 | 48.9 | 0 | 0 | 0 | 0 | 108.4 | L250 | L250-T265 HydrophobicContact CD1-CG2 3.33Å |
| 266 | S | 79.6 | Confident | 73 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 8% | 0.077 | 40% | 0.396 | C | S | . | . | trans | -78.3 | 138.7 | 172.8 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | W71 V248 K249 | W71-S266 PolarHBondContact NE1-OG 3.17Å; V248-S266 WeakPolarHBondContact O-CB 3.26Å; K249-S266 WeakPolarHBondContact CA-OG 2.99Å; K249-S266 PolarHBondContact O-N 3.29Å; K249-S266 PolarHBondContact O-OG 2.8Å | ||
| 267 | D | 69.6 | Low | 71.5 | Confident | 113 Ų | 113 | 69.4 Ų | 69.4 | 60% | 0.604 | 38% | 0.383 | S | S | * | . | trans | -60.2 | 137.3 | 174.9 | -64.8 | -34 | 0 | 0 | 0 | 112.4 | S269 R270 | D267-S269 WeakPolarHBondContact CB-OG 3.43Å; D267-S269 PolarHBondContact O-N 2.88Å; D267-R270 PolarHBondContact O-N 3.46Å | ||
| 268 | L | 62 | Low | 70.1 | Confident | 131 Ų | 131 | 72.3 Ų | 72.3 | 69% | 0.686 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18.3 | 179.4 | -60.4 | 173.8 | 0 | 0 | 0 | 112.7 | W71 R270 I271 | W71-L268 HydrophobicContact CH2-CD2 4.23Å; L268-R270 PolarHBondContact O-N 3.4Å; L268-I271 HydrophobicContact CB-CD1 3.93Å; L268-I271 HydrophobicContact CD2-CD1 3.59Å; L268-I271 HydrophobicContact CG-CD1 4.36Å; L268-I271 WeakPolarHBondContact O-CB 3.47Å; L268-I271 WeakPolarHBondContact O-CD1 3.46Å; L268-I271 WeakPolarHBondContact O-CG1 3.12Å; L268-I271 PolarHBondContact O-N 3.46Å |
| 269 | S | 55 | Low | 68.4 | Low | 80 Ų | 80 | 76 Ų | 76 | 56% | 0.559 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.5 | -22.1 | 173 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | D267 I271 S272 | D267-S269 WeakPolarHBondContact CB-OG 3.43Å; D267-S269 PolarHBondContact O-N 2.88Å; S269-I271 VanDerWaalsContact C-N 3.29Å; S269-I271 PolarHBondContact O-N 3.33Å; S269-S272 PolarHBondContact O-OG 3.3Å |
| 270 | R | 54.9 | Low | 66.5 | Low | 69 Ų | 69 | 75.7 Ų | 75.7 | 26% | 0.26 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -75.1 | -16.5 | 174.5 | -63.9 | -174.8 | 177.8 | 173.9 | 4.4 | 113.5 | S246 Y264 D267 L268 L274 | S246-R270 VanDerWaalsContact OG-CD 3.24Å; S246-R270 WeakPolarHBondContact OG-CD 3.31Å; S246-R270 PolarHBondContact OG-NH1 3.49Å; Y264-R270 PolarHBondContact OH-NH1 2.9Å; D267-R270 PolarHBondContact O-N 3.46Å; L268-R270 PolarHBondContact O-N 3.4Å; R270-L274 WeakPolarHBondContact O-CG 3.47Å; R270-L274 PolarHBondContact O-N 2.93Å |
| 271 | I | 57.3 | Low | 64.6 | Low | 46 Ų | 46 | 77.5 Ų | 77.5 | 24% | 0.236 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.5 | -41.2 | 177.8 | -57.1 | 169.7 | 0 | 0 | 0 | 110.7 | W71 L268 S269 V273 L274 Q275 | W71-I271 HydrophobicContact CD2-CG1 4.46Å; W71-I271 HydrophobicContact CE3-CG1 4.15Å; W71-I271 HydrophobicContact CH2-CD1 3.24Å; W71-I271 HydrophobicContact CH2-CG1 3.35Å; W71-I271 HydrophobicContact CZ2-CD1 3.92Å; W71-I271 HydrophobicContact CZ2-CG1 3.65Å; W71-I271 HydrophobicContact CZ3-CD1 3.67Å; W71-I271 HydrophobicContact CZ3-CG1 3.6Å; L268-I271 HydrophobicContact CB-CD1 3.93Å; L268-I271 HydrophobicContact CD2-CD1 3.59Å; L268-I271 HydrophobicContact CG-CD1 4.36Å; L268-I271 WeakPolarHBondContact O-CB 3.47Å; L268-I271 WeakPolarHBondContact O-CD1 3.46Å; L268-I271 WeakPolarHBondContact O-CG1 3.12Å; L268-I271 PolarHBondContact O-N 3.46Å; S269-I271 VanDerWaalsContact C-N 3.29Å; S269-I271 PolarHBondContact O-N 3.33Å; I271-V273 VanDerWaalsContact C-N 3.32Å; I271-V273 PolarHBondContact O-N 3.2Å; I271-L274 CarbonylContact O-C 3.58Å; I271-L274 PolarHBondContact O-N 3.36Å; I271-Q275 PolarHBondContact O-N 2.91Å |
| 272 | S | 50.2 | Low | 62.5 | Low | 62 Ų | 62 | 81.7 Ų | 81.7 | 43% | 0.434 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66 | -35.6 | -178.9 | 64.1 | 0 | 0 | 0 | 0 | 111.9 | S269 Q275 R276 | S269-S272 PolarHBondContact O-OG 3.3Å; S272-Q275 PolarHBondContact O-N 2.95Å; S272-R276 PolarHBondContact O-N 3.45Å |
| 273 | V | 56.4 | Low | 60.1 | Low | 100 Ų | 100 | 82.4 Ų | 82.4 | 61% | 0.606 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.6 | -39.1 | 173.6 | -177 | 0 | 0 | 0 | 0 | 111.4 | I271 S277 | I271-V273 VanDerWaalsContact C-N 3.32Å; I271-V273 PolarHBondContact O-N 3.2Å; V273-S277 PolarHBondContact O-N 3.15Å; V273-S277 PolarHBondContact O-OG 2.97Å |
| 274 | L | 54.7 | Low | 57.9 | Low | 39 Ų | 39 | 90.3 Ų | 90.3 | 20% | 0.204 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -71.4 | -28.6 | 174.6 | -70.3 | 173.9 | 0 | 0 | 0 | 113.2 | W71 R270 I271 S277 | W71-L274 HydrophobicContact CB-CD1 3.62Å; W71-L274 HydrophobicContact CG-CD1 3.82Å; R270-L274 WeakPolarHBondContact O-CG 3.47Å; R270-L274 PolarHBondContact O-N 2.93Å; I271-L274 CarbonylContact O-C 3.58Å; I271-L274 PolarHBondContact O-N 3.36Å; L274-S277 WeakPolarHBondContact CA-OG 3.21Å; L274-S277 PolarHBondContact O-OG 2.99Å |
| 275 | Q | 54.7 | Low | 55.7 | Low | 110 Ų | 110 | 97.2 Ų | 97.2 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.5 | -46.7 | 172.5 | -77 | 174 | -37.4 | 0 | 0 | 111.5 | I271 S272 S277 K278 D279 | I271-Q275 PolarHBondContact O-N 2.91Å; S272-Q275 PolarHBondContact O-N 2.95Å; Q275-S277 VanDerWaalsContact C-N 3.28Å; Q275-S277 PolarHBondContact O-N 2.89Å; Q275-K278 WeakPolarHBondContact O-CB 3.42Å; Q275-K278 PolarHBondContact O-N 3.41Å; Q275-D279 PolarHBondContact O-N 3.21Å; Q275-D279 VanDerWaalsContact O-N 3.09Å |
| 276 | R | 51.5 | Low | 53.8 | Low | 194 Ų | 194 | 96.9 Ų | 96.9 | 73% | 0.732 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.9 | -36.7 | 176.3 | -90.2 | 178.5 | 172.3 | 173.2 | -2 | 113.5 | S272 K278 D279 N280 | S272-R276 PolarHBondContact O-N 3.45Å; R276-K278 VanDerWaalsContact C-N 3.34Å; R276-K278 PolarHBondContact O-N 3.17Å; R276-D279 PolarHBondContact O-N 3.26Å; R276-N280 WeakPolarHBondContact O-CB 3.2Å; R276-N280 PolarHBondContact O-N 3.28Å |
| 277 | S | 53.7 | Low | 52 | Low | 67 Ų | 67 | 104.1 Ų | 104.1 | 47% | 0.469 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.1 | -26.9 | 175.6 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | V273 L274 Q275 S281 | V273-S277 PolarHBondContact O-N 3.15Å; V273-S277 PolarHBondContact O-OG 2.97Å; L274-S277 WeakPolarHBondContact CA-OG 3.21Å; L274-S277 PolarHBondContact O-OG 2.99Å; Q275-S277 VanDerWaalsContact C-N 3.28Å; Q275-S277 PolarHBondContact O-N 2.89Å; S277-S281 PolarHBondContact O-N 2.98Å |
| 278 | K | 55.5 | Low | 50.4 | Low | 118 Ų | 118 | 107.1 Ų | 107.1 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.7 | -41.6 | 170.3 | -73.3 | 176.3 | -178.7 | 172.5 | 0 | 111 | Q275 R276 S281 K282 | Q275-K278 WeakPolarHBondContact O-CB 3.42Å; Q275-K278 PolarHBondContact O-N 3.41Å; R276-K278 VanDerWaalsContact C-N 3.34Å; R276-K278 PolarHBondContact O-N 3.17Å; K278-S281 PolarHBondContact O-N 3.47Å; K278-S281 PolarHBondContact O-OG 3.16Å; K278-K282 PolarHBondContact O-N 3.38Å |
| 279 | D | 50.4 | Low | 49.4 | Very low | 85 Ų | 85 | 107.7 Ų | 107.7 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.3 | -39 | -177.9 | -66.9 | -25.8 | 0 | 0 | 0 | 112.3 | Q275 R276 S281 K282 T283 | Q275-D279 PolarHBondContact O-N 3.21Å; Q275-D279 VanDerWaalsContact O-N 3.09Å; R276-D279 PolarHBondContact O-N 3.26Å; D279-S281 PolarHBondContact O-N 3.36Å; D279-K282 WeakPolarHBondContact O-CB 3.42Å; D279-K282 PolarHBondContact O-N 3.05Å; D279-T283 PolarHBondContact O-N 2.82Å; D279-T283 PolarHBondContact O-OG1 2.86Å |
| 280 | N | 49.3 | Very low | 48.8 | Very low | 109 Ų | 109 | 111.3 Ų | 111.3 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.6 | -25.6 | 171.5 | -77.3 | -8.8 | 0 | 0 | 0 | 113.7 | R276 T283 K284 | R276-N280 WeakPolarHBondContact O-CB 3.2Å; R276-N280 PolarHBondContact O-N 3.28Å; N280-T283 WeakPolarHBondContact CA-OG1 3.3Å; N280-T283 PolarHBondContact O-OG1 3.38Å; N280-K284 PolarHBondContact O-N 3.17Å |
| 281 | S | 51.1 | Low | 47.9 | Very low | 69 Ų | 69 | 112.5 Ų | 112.5 | 48% | 0.483 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -81.5 | -24.1 | 174.6 | 77.9 | 0 | 0 | 0 | 0 | 113.2 | S277 K278 D279 | S277-S281 PolarHBondContact O-N 2.98Å; K278-S281 PolarHBondContact O-N 3.47Å; K278-S281 PolarHBondContact O-OG 3.16Å; D279-S281 PolarHBondContact O-N 3.36Å |
| 282 | K | 48.4 | Very low | 46.9 | Very low | 137 Ų | 137 | 113.7 Ų | 113.7 | 60% | 0.596 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -78.6 | -43 | 172.5 | -70.8 | 176.9 | 179.9 | 174.6 | 0 | 110.9 | K278 D279 K284 K285 V286 | K278-K282 PolarHBondContact O-N 3.38Å; D279-K282 WeakPolarHBondContact O-CB 3.42Å; D279-K282 PolarHBondContact O-N 3.05Å; K282-K284 VanDerWaalsContact C-N 3.3Å; K282-K284 PolarHBondContact O-N 3.33Å; K282-K285 PolarHBondContact O-N 3.3Å; K282-V286 PolarHBondContact O-N 3.05Å; K282-V286 VanDerWaalsContact O-N 3.1Å |
| 283 | T | 41.9 | Very low | 46.1 | Very low | 78 Ų | 78 | 117.1 Ų | 117.1 | 48% | 0.479 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.8 | -31 | 175.1 | 26.2 | 0 | 0 | 0 | 0 | 113.2 | D279 N280 V286 K287 | D279-T283 PolarHBondContact O-N 2.82Å; D279-T283 PolarHBondContact O-OG1 2.86Å; N280-T283 WeakPolarHBondContact CA-OG1 3.3Å; N280-T283 PolarHBondContact O-OG1 3.38Å; T283-V286 PolarHBondContact O-N 3.3Å; T283-K287 PolarHBondContact O-N 2.74Å; T283-K287 VanDerWaalsContact O-N 3.1Å |
| 284 | K | 44 | Very low | 45 | Very low | 169 Ų | 169 | 121.6 Ų | 121.6 | 74% | 0.735 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.2 | -23.2 | 170.9 | -82.5 | -172.9 | 177.1 | -176.5 | 0 | 114.5 | N280 K282 | N280-K284 PolarHBondContact O-N 3.17Å; K282-K284 VanDerWaalsContact C-N 3.3Å; K282-K284 PolarHBondContact O-N 3.33Å |
| 285 | K | 42.4 | Very low | 44.2 | Very low | 163 Ų | 163 | 125.8 Ų | 125.8 | 71% | 0.709 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -80.5 | -32.8 | 172.3 | -84 | -169.8 | 172.9 | -168.9 | 0 | 112.2 | K282 | K282-K285 PolarHBondContact O-N 3.3Å |
| 286 | V | 47.8 | Very low | 43.2 | Very low | 84 Ų | 84 | 127 Ų | 127 | 51% | 0.509 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -68.4 | -44.7 | 174.5 | -180 | 0 | 0 | 0 | 0 | 110.6 | K282 T283 K288 N289 | K282-V286 PolarHBondContact O-N 3.05Å; K282-V286 VanDerWaalsContact O-N 3.1Å; T283-V286 PolarHBondContact O-N 3.3Å; V286-K288 PolarHBondContact O-N 2.97Å; V286-K288 VanDerWaalsContact O-N 3.12Å; V286-N289 PolarHBondContact O-N 3.04Å; V286-N289 VanDerWaalsContact O-N 3.11Å |
| 287 | K | 41.3 | Very low | 42.2 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 71% | 0.709 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -66.4 | -13.3 | 177.8 | -74.1 | -170.6 | 175 | -171.2 | 0 | 115.9 | T283 | T283-K287 PolarHBondContact O-N 2.74Å; T283-K287 VanDerWaalsContact O-N 3.1Å |
| 288 | K | 36.7 | Very low | 41.2 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -92.3 | -14.6 | 175.7 | -151.9 | -179.7 | -179 | -176 | 0 | 112.9 | V286 | V286-K288 PolarHBondContact O-N 2.97Å; V286-K288 VanDerWaalsContact O-N 3.12Å |
| 289 | N | 40.6 | Very low | 40.2 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -93.5 | -8 | 177.2 | -73.7 | 5.6 | 0 | 0 | 0 | 113 | V286 | V286-N289 PolarHBondContact O-N 3.04Å; V286-N289 VanDerWaalsContact O-N 3.11Å |
| 290 | E | 41.9 | Very low | 39.4 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -100.6 | 1.1 | -179 | -71.6 | 179.7 | 162.2 | 0 | 0 | 114.2 | ||
| 291 | A | 36.9 | Very low | 38.6 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -119.8 | 31.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 292 | G | 34.8 | Very low | 37.8 | Very low | 72 Ų | 72 | 153.8 Ų | 153.8 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -162.9 | 41.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 293 | D | 33.8 | Very low | 37.1 | Very low | 134 Ų | 134 | 156.5 Ų | 156.5 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | -142.4 | 65.3 | 171 | -163.2 | 20.7 | 0 | 0 | 0 | 112.2 | ||||
| 294 | E | 34.4 | Very low | 36.6 | Very low | 194 Ų | 194 | 158.1 Ų | 158.1 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -133 | 10.7 | 168 | -85.4 | -153 | 155 | 0 | 0 | 115.6 | ||
| 295 | T | 37.6 | Very low | 36.2 | Very low | 126 Ų | 126 | 159 Ų | 159 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -140.8 | 82.2 | 174 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 296 | T | 33.5 | Very low | 35.6 | Very low | 137 Ų | 137 | 155.5 Ų | 155.5 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | 175.6 | 58.2 | 143.6 | 26.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 297 | K | 31 | Very low | 34.7 | Very low | 204 Ų | 204 | 163.2 Ų | 163.2 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -109.4 | 50.6 | 164.8 | -90.3 | -175.8 | -177.8 | 166.7 | 0 | 111.2 | ||||
| 298 | E | 32.5 | Very low | 34.1 | Very low | 180 Ų | 180 | 161.4 Ų | 161.4 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -156 | 55.7 | 170 | -150.6 | 168.9 | -167.8 | 0 | 0 | 112.5 | ||
| 299 | Q | 34.1 | Very low | 33.6 | Very low | 192 Ų | 192 | 157.2 Ų | 157.2 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -161.4 | 11.3 | 164.8 | -112.5 | 164.5 | 29.4 | 0 | 0 | 117 | ||
| 300 | K | 33.5 | Very low | 33 | Very low | 218 Ų | 218 | 159.3 Ų | 159.3 | 95% | 0.948 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -128.8 | 44.3 | 175.5 | -85.1 | -173.2 | 175.4 | 178 | 0 | 113.9 | ||
| 301 | K | 31.2 | Very low | 32.2 | Very low | 202 Ų | 202 | 157.5 Ų | 157.5 | 88% | 0.878 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -131.9 | 31.2 | 173.1 | -143.5 | 179.8 | -176.4 | -176.4 | 0 | 113.7 | ||
| 302 | K | 34.8 | Very low | 31.6 | Very low | 208 Ų | 208 | 160 Ų | 160 | 90% | 0.904 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -136.8 | 23.2 | 176.8 | -80.6 | -169.1 | 177 | 179.3 | 0 | 115.3 | ||
| 303 | Q | 34 | Very low | 31.1 | Very low | 193 Ų | 193 | 164.7 Ų | 164.7 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -145.5 | 61.9 | 171.2 | -82.1 | -174.6 | -15.5 | 0 | 0 | 111.2 | ||
| 304 | S | 32.3 | Very low | 30.6 | Very low | 112 Ų | 112 | 164.2 Ų | 164.2 | 78% | 0.783 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -165.3 | 33.5 | 164.5 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 305 | M | 34.3 | Very low | 30.2 | Very low | 188 Ų | 188 | 159.9 Ų | 159.9 | 93% | 0.926 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -150.9 | 75.5 | 167.4 | -77.4 | -148 | -60.1 | 0 | 0 | 110.1 | ||
| 306 | A | 31.3 | Very low | 29.5 | Very low | 90 Ų | 90 | 161.2 Ų | 161.2 | 74% | 0.744 | 84% | 0.844 | S | S | * | * | trans | -171.6 | 125.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 307 | R | 27.5 | Very low | 29.2 | Very low | 245 Ų | 245 | 163.3 Ų | 163.3 | 93% | 0.925 | 84% | 0.844 | S | S | * | * | S | Bend | trans | 88.8 | 114.9 | -178.6 | -60 | 177.5 | 174.3 | 175 | -2.3 | 113.6 | ||
| 308 | V | 29.6 | Very low | 29.1 | Very low | 125 Ų | 125 | 159.1 Ų | 159.1 | 76% | 0.758 | 84% | 0.835 | S | S | * | * | cis | -157.8 | 128.5 | 7.3 | 169.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 309 | A | 26.8 | Very low | 28.6 | Very low | 90 Ų | 90 | 155.9 Ų | 155.9 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -97.1 | 127.2 | 153 | 0 | 0 | 0 | 0 | 0 | 107 | ||
| 310 | H | 26.5 | Very low | 28.2 | Very low | 185 Ų | 185 | 154.7 Ų | 154.7 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | 50 | 114.9 | 162.5 | -66.1 | -35.9 | 0 | 0 | 0 | 120.6 | ||||
| 311 | S | 25.3 | Very low | 27.7 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | -165.5 | 140.8 | 128 | 57 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 312 | N | 23.8 | Very low | 27.5 | Very low | 148 Ų | 148 | 149 Ų | 149 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -68.9 | 155.6 | -176.5 | -80.3 | -22.8 | 0 | 0 | 0 | 115.6 | ||||
| 313 | M | 25.2 | Very low | 27 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | 47.9 | 149.6 | 139 | -52.4 | -161.6 | 95.6 | 0 | 0 | 119.6 | ||||
| 314 | T | 23.2 | Very low | 26.5 | Very low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | cis | -161.6 | 154.7 | 24.5 | 35.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 315 | A | 26.1 | Very low | 26.1 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | 179.3 | 125.3 | 127.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 316 | D | 23.7 | Very low | 25.5 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -63.4 | 154 | 172.2 | -79.9 | -60.2 | 0 | 0 | 0 | 114.6 | ||||
| 317 | E | 26.3 | Very low | 25.2 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | -171.3 | 113.2 | 103.6 | -97.3 | -168.1 | 159.9 | 0 | 0 | 112.5 | |||||
| 318 | V | 28.6 | Very low | 25 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | 32.1 | 137.9 | 132.8 | -108.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 319 | T | 23.5 | Very low | 24.7 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | cis | -154.8 | 142.6 | 47.4 | 38.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 320 | E | 24.8 | Very low | 24.6 | Very low | 168 Ų | 168 | 151.9 Ų | 151.9 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 51.7 | 135.3 | 137.1 | -60.2 | 177.4 | 169.6 | 0 | 0 | 119.9 | ||||
| 321 | N | 23.8 | Very low | 24.4 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | -167.6 | 156.9 | 26.8 | -141.6 | -8.9 | 0 | 0 | 0 | 112 | ||||
| 322 | E | 25.9 | Very low | 24.3 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 75.3 | 95.2 | 154.8 | -54.1 | -157.4 | 148 | 0 | 0 | 123.9 | ||||
| 323 | N | 23.8 | Very low | 24.4 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | 48.7 | 97.6 | 117 | -98.7 | -5.1 | 0 | 0 | 0 | 123.1 | |||||
| 324 | S | 24.4 | Very low | 24.4 | Very low | 80 Ų | 80 | 149.3 Ų | 149.3 | 56% | 0.559 | 79% | 0.786 | S | S | * | * | 46.7 | 125.3 | 109 | 87.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 325 | K | 23.4 | Very low | 24.6 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | 74.7 | 120.6 | 133.2 | -66.9 | 167.9 | -176.4 | 172.8 | 0 | 117.8 | ||||
| 326 | T | 22.8 | Very low | 24.8 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | -160.9 | 139.9 | 71.4 | 19.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 327 | K | 23.7 | Very low | 25.4 | Very low | 197 Ų | 197 | 149.9 Ų | 149.9 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -63.1 | 142.8 | 165.8 | -78.8 | 171.7 | 170.6 | 173.9 | 0 | 111.6 | ||||
| 328 | K | 22.8 | Very low | 25.9 | Very low | 214 Ų | 214 | 146.6 Ų | 146.6 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -147.2 | 127.6 | 131.4 | -126.5 | 174.4 | -175.5 | 175.2 | 0 | 112 | ||||
| 329 | V | 24.2 | Very low | 26.5 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -68.1 | 143.3 | -178.8 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 330 | K | 25.1 | Very low | 27.5 | Very low | 216 Ų | 216 | 148.9 Ų | 148.9 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | trans | -159.5 | 153.8 | 138.8 | -107.9 | 172.4 | -173.8 | -174.5 | 0 | 111.5 | ||||
| 331 | K | 22.3 | Very low | 28.4 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -118.8 | 153.6 | -152.3 | -165.1 | -150.5 | 177.6 | 176.4 | 0 | 108.6 | ||||
| 332 | N | 22.3 | Very low | 29.3 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 60% | 0.599 | 77% | 0.768 | S | S | * | * | trans | 71.5 | 145.1 | 164.6 | -67.4 | 10.2 | 0 | 0 | 0 | 115.6 | ||||
| 333 | E | 25.9 | Very low | 30.1 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | cis | -166 | 177.5 | 24 | -129.4 | 154 | -129.4 | 0 | 0 | 110.7 | ||||
| 334 | A | 26.5 | Very low | 31 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 88% | 0.884 | 76% | 0.758 | S | S | * | * | trans | -60.7 | 154.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 335 | G | 25.7 | Very low | 31.9 | Very low | 80 Ų | 80 | 151.3 Ų | 151.3 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | 144.7 | 90.3 | 151.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 336 | D | 31.9 | Very low | 32.7 | Very low | 128 Ų | 128 | 148.9 Ų | 148.9 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | trans | -157.1 | 80.5 | 160.2 | -166.9 | 18.4 | 0 | 0 | 0 | 111.4 | T339 | D336-T339 PolarHBondContact OD1-OG1 3.06Š| ||
| 337 | E | 36.7 | Very low | 33.4 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -125.8 | -8.2 | 164.5 | -83.2 | -167.2 | 153 | 0 | 0 | 113.2 | ||
| 338 | T | 36.5 | Very low | 34.6 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -87.8 | -15 | -173.1 | 38.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 339 | T | 41.3 | Very low | 35.7 | Very low | 88 Ų | 88 | 143 Ų | 143 | 54% | 0.54 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -86.8 | -14.4 | -170.9 | -25.7 | 0 | 0 | 0 | 0 | 114.2 | D336 | D336-T339 PolarHBondContact OD1-OG1 3.06Å |
| 340 | K | 43.5 | Very low | 36.7 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 82% | 0.817 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -89.5 | -22.5 | 179.4 | -83.6 | 178.7 | 179.4 | 168.7 | 0 | 114.3 | ||
| 341 | E | 43.9 | Very low | 37.9 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 67% | 0.673 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -82.1 | -32 | -174.8 | -150.7 | 167.4 | -160.3 | 0 | 0 | 112.2 | K344 K345 | E341-K344 PolarHBondContact O-N 3.17Å; E341-K345 PolarHBondContact O-N 3.34Å |
| 342 | Q | 43.2 | Very low | 39 | Very low | 146 Ų | 146 | 142 Ų | 142 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -71.7 | -34.2 | 177 | -71.7 | -178.6 | -17.9 | 0 | 0 | 113.1 | K344 K345 Q346 | Q342-K344 PolarHBondContact O-N 3.32Å; Q342-K345 PolarHBondContact O-N 3.49Å; Q342-Q346 PolarHBondContact O-N 3.38Å |
| 343 | K | 41.5 | Very low | 40.2 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -72 | -16.1 | 177.5 | -117.3 | 178.4 | -176.9 | 175.9 | 0 | 114.1 | ||
| 344 | K | 43.9 | Very low | 41.3 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -88.2 | -37.8 | 177.4 | -159.7 | 177.2 | 179.1 | -171 | 0 | 111.6 | E341 Q342 R347 D348 | E341-K344 PolarHBondContact O-N 3.17Å; Q342-K344 PolarHBondContact O-N 3.32Å; K344-R347 PolarHBondContact O-N 3.36Å; K344-D348 PolarHBondContact O-N 3.43Å |
| 345 | K | 43.8 | Very low | 42.5 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 63% | 0.626 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -65.6 | -36.9 | 176.3 | -81.7 | -176.2 | 172.6 | -177 | 0 | 113.9 | E341 Q342 R347 D348 E349 | E341-K345 PolarHBondContact O-N 3.34Å; Q342-K345 PolarHBondContact O-N 3.49Å; K345-R347 VanDerWaalsContact C-N 3.3Å; K345-R347 PolarHBondContact O-N 3.39Å; K345-D348 PolarHBondContact O-N 3.49Å; K345-E349 PolarHBondContact O-N 3.44Å |
| 346 | Q | 39.6 | Very low | 43.3 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 65% | 0.654 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -68.8 | -22.9 | 178.3 | -94.3 | 177.7 | -14.2 | 0 | 0 | 114.5 | Q342 | Q342-Q346 PolarHBondContact O-N 3.38Å |
| 347 | R | 37.6 | Very low | 43.8 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -81.9 | -29.5 | 174.8 | -88.4 | -173.8 | -172.7 | -170.3 | -0.7 | 113.4 | K344 K345 | K344-R347 PolarHBondContact O-N 3.36Å; K345-R347 VanDerWaalsContact C-N 3.3Å; K345-R347 PolarHBondContact O-N 3.39Å |
| 348 | D | 47.8 | Very low | 44.5 | Very low | 95 Ų | 95 | 151.3 Ų | 151.3 | 51% | 0.508 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -78.3 | -23.9 | -177.9 | -63.8 | -21.5 | 0 | 0 | 0 | 111.1 | K344 K345 | K344-D348 PolarHBondContact O-N 3.43Å; K345-D348 PolarHBondContact O-N 3.49Å |
| 349 | E | 46.1 | Very low | 44.6 | Very low | 143 Ų | 143 | 152 Ų | 152 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -80 | -31.6 | 175.8 | -78.3 | 175.6 | 174.3 | 0 | 0 | 113.7 | K345 | K345-E349 PolarHBondContact O-N 3.44Å |
| 350 | E | 46.2 | Very low | 44.9 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -74.6 | -22 | 177.8 | -79 | -179.8 | 166.1 | 0 | 0 | 113.3 | ||
| 351 | E | 49 | Very low | 44.9 | Very low | 164 Ų | 164 | 156 Ų | 156 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -12 | 179.3 | -74.3 | -173 | 178.2 | 0 | 0 | 113.8 | ||
| 352 | E | 47.4 | Very low | 44.9 | Very low | 166 Ų | 166 | 156.7 Ų | 156.7 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -90.7 | -11.9 | -179.9 | -72.2 | -168.4 | 167.7 | 0 | 0 | 114.4 | ||
| 353 | E | 47 | Very low | 45 | Very low | 179 Ų | 179 | 157.2 Ų | 157.2 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -92.4 | -11.2 | -177.5 | -69.8 | -163.7 | 160.8 | 0 | 0 | 115.5 | I355 | E353-I355 PolarHBondContact O-N 3.32Š|
| 354 | E | 48.8 | Very low | 45.2 | Very low | 180 Ų | 180 | 156.5 Ų | 156.5 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | -95.1 | 75.7 | 177 | -85.1 | -168.7 | 153.4 | 0 | 0 | 113 | ||||
| 355 | I | 51.5 | Low | 45.3 | Very low | 145 Ų | 145 | 157 Ų | 157 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -109.7 | 107 | 159.7 | -55.4 | 176.2 | 0 | 0 | 0 | 108.4 | E353 Q357 | E353-I355 PolarHBondContact O-N 3.32Å; I355-Q357 PolarHBondContact O-N 3.43Å | ||
| 356 | P | 42.8 | Very low | 45.4 | Very low | 114 Ų | 114 | 157.8 Ų | 157.8 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 122.6 | 174.1 | 25.9 | -29.4 | 0 | 0 | 0 | 111 | L358 | P356-L358 PolarHBondContact O-N 2.82Š|
| 357 | Q | 41.7 | Very low | 45.7 | Very low | 192 Ų | 192 | 159 Ų | 159 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 125.3 | 171.6 | -72.6 | 177.8 | -14 | 0 | 0 | 110.7 | I355 | I355-Q357 PolarHBondContact O-N 3.43Š|
| 358 | L | 51.6 | Low | 46.3 | Very low | 173 Ų | 173 | 156.9 Ų | 156.9 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 122.8 | 173.4 | -81 | 159.6 | 0 | 0 | 0 | 110.4 | P356 | P356-L358 PolarHBondContact O-N 2.82Š|
| 359 | V | 39 | Very low | 46.2 | Very low | 126 Ų | 126 | 161.7 Ų | 161.7 | 76% | 0.764 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 135 | 172 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 360 | P | 46.6 | Very low | 46.2 | Very low | 121 Ų | 121 | 163.3 Ų | 163.3 | 79% | 0.786 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 136.7 | 176.9 | -10.1 | 25.7 | 0 | 0 | 0 | 111.5 | ||
| 361 | I | 43.1 | Very low | 46.2 | Very low | 241 Ų | 241 | 163.7 Ų | 163.7 | 100% | 1.236 | 85% | 0.845 | S | S | * | * | trans | -105.9 | 0 | 156.4 | -63.5 | 175.7 | 0 | 0 | 0 | 107.4 |
Retrieved 361 of 361 residues in 301 ms
(Link to these results)