| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.6 | Very low | 35.8 | Very low | 247 Ų | 247 | 161.9 Ų | 161.9 | 100% | 1.217 | 87% | 0.866 | S | S | * | * | 0 | 103.7 | 0 | -86.4 | -173.8 | -178.9 | 0 | 0 | 108.8 | |||||
| 2 | M | 36.7 | Very low | 35.5 | Very low | 200 Ų | 200 | 164 Ų | 164 | 99% | 0.985 | 87% | 0.867 | S | S | * | * | trans | -159.6 | 127.8 | 161.3 | -110.3 | 166.4 | 163.1 | 0 | 0 | 107.5 | ||||
| 3 | R | 38.7 | Very low | 35.1 | Very low | 239 Ų | 239 | 160 Ų | 160 | 90% | 0.902 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 156.3 | -172.9 | -59.3 | -176.5 | -158.5 | -177 | 5.3 | 111 | ||
| 4 | P | 34.7 | Very low | 35 | Very low | 130 Ų | 130 | 161.5 Ų | 161.5 | 84% | 0.844 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 152 | 177.7 | 33 | -31.1 | 0 | 0 | 0 | 112.3 | ||
| 5 | F | 45.6 | Very low | 34.7 | Very low | 206 Ų | 206 | 160 Ų | 160 | 90% | 0.904 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 121.9 | 171.5 | -104.8 | -90.5 | 0 | 0 | 0 | 109.8 | ||
| 6 | D | 31.7 | Very low | 34.6 | Very low | 159 Ų | 159 | 160.4 Ų | 160.4 | 85% | 0.85 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -84 | 139.8 | 158 | -94.5 | -33.9 | 0 | 0 | 0 | 109.4 | ||
| 7 | S | 39.7 | Very low | 34.4 | Very low | 117 Ų | 117 | 159.3 Ų | 159.3 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | trans | -153.1 | 106.7 | 149.4 | 61.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 8 | G | 31.2 | Very low | 34.5 | Very low | 68 Ų | 68 | 161.4 Ų | 161.4 | 70% | 0.701 | 85% | 0.849 | S | S | * | * | trans | -78.8 | 174.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 9 | F | 33.3 | Very low | 34.4 | Very low | 209 Ų | 209 | 161.6 Ų | 161.6 | 92% | 0.917 | 85% | 0.849 | S | S | * | * | trans | -157.1 | 125.4 | 154 | -122.4 | -89.3 | 0 | 0 | 0 | 108.7 | ||||
| 10 | S | 36.4 | Very low | 34.4 | Very low | 109 Ų | 109 | 163.1 Ų | 163.1 | 76% | 0.762 | 85% | 0.851 | S | S | * | * | trans | -125.2 | 143.5 | 161.3 | -166.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 11 | P | 34.3 | Very low | 34.1 | Very low | 97 Ų | 97 | 161.4 Ų | 161.4 | 63% | 0.63 | 85% | 0.848 | S | S | * | * | -156.2 | 146.6 | 114 | 32.3 | -11.1 | 0 | 0 | 0 | 117.5 | |||||
| 12 | Q | 32.7 | Very low | 34.2 | Very low | 187 Ų | 187 | 158.1 Ų | 158.1 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | 71 | 135.3 | 128.4 | -62.8 | -175.9 | 11.1 | 0 | 0 | 123.4 | |||||
| 13 | S | 29.3 | Very low | 33.9 | Very low | 112 Ų | 112 | 157.4 Ų | 157.4 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -59.8 | 141.8 | 175.5 | 52 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 14 | L | 34 | Very low | 33.6 | Very low | 181 Ų | 181 | 151.9 Ų | 151.9 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | trans | -134.9 | 131.3 | 155.5 | -106.8 | 149.9 | 0 | 0 | 0 | 109.3 | ||||
| 15 | N | 31.1 | Very low | 33.4 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -109.2 | 158.2 | -172.4 | -167.1 | 6.6 | 0 | 0 | 0 | 109.7 | ||||
| 16 | K | 32.4 | Very low | 32.9 | Very low | 166 Ų | 166 | 150.1 Ų | 150.1 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | 103 | 105.3 | 159.6 | -60.6 | -177.3 | 177.5 | 179.4 | 0 | 118.3 | ||||
| 17 | N | 31.4 | Very low | 33.3 | Very low | 142 Ų | 142 | 151 Ų | 151 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | 60.1 | 107.9 | 128.9 | -57.9 | -7.6 | 0 | 0 | 0 | 118.7 | |||||
| 18 | E | 35.9 | Very low | 33.1 | Very low | 197 Ų | 197 | 154.4 Ų | 154.4 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | -158.3 | 107.9 | 129.8 | -110.7 | 166.6 | -171.4 | 0 | 0 | 109.6 | |||||
| 19 | I | 32.6 | Very low | 33.9 | Very low | 165 Ų | 165 | 157.5 Ų | 157.5 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -89 | 112.3 | 168.6 | -65.1 | 171.8 | 0 | 0 | 0 | 106.1 | ||||
| 20 | Q | 34.7 | Very low | 34.7 | Very low | 192 Ų | 192 | 154.5 Ų | 154.5 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -140.4 | 114.5 | 153.8 | -107.9 | 176.9 | 30.8 | 0 | 0 | 109.6 | ||||
| 21 | T | 27.7 | Very low | 35.3 | Very low | 127 Ų | 127 | 156.7 Ų | 156.7 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -63.2 | 121.3 | 179.2 | -6.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 22 | Q | 33.9 | Very low | 36.8 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -131.5 | 111.4 | 154 | -75.4 | -169.7 | 1.6 | 0 | 0 | 109 | T24 | Q22-T24 PolarHBondContact O-N 3.27Š| ||
| 23 | H | 30.8 | Very low | 39.3 | Very low | 186 Ų | 186 | 154.5 Ų | 154.5 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -54.8 | 123.2 | 164.7 | -97.6 | -91.6 | 0 | 0 | 0 | 109.9 | ||||
| 24 | T | 31.8 | Very low | 42.2 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -156.3 | 100.8 | 156.9 | 13 | 0 | 0 | 0 | 0 | 109.9 | Q22 | Q22-T24 PolarHBondContact O-N 3.27Š| ||
| 25 | S | 31.8 | Very low | 45.1 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 34.7 | 95.8 | 151.3 | 54.8 | 0 | 0 | 0 | 0 | 118.1 | H27 | S25-H27 PolarHBondContact O-N 3.21Š| ||
| 26 | E | 34.9 | Very low | 48.1 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 93% | 0.925 | 72% | 0.72 | S | S | * | * | trans | -64.4 | 113.3 | 158.6 | -68.1 | 176.4 | 168.4 | 0 | 0 | 108.7 | E28 | E26-E28 PolarHBondContact O-N 3.45Š| ||
| 27 | H | 40.1 | Very low | 51.2 | Low | 179 Ų | 179 | 132.4 Ų | 132.4 | 83% | 0.829 | 69% | 0.686 | S | S | * | * | trans | -63.4 | 123.1 | 171.3 | -103.6 | -88.3 | 0 | 0 | 0 | 109.3 | S25 V29 | S25-H27 PolarHBondContact O-N 3.21Å; H27-V29 PolarHBondContact O-N 2.88Å; H27-V29 VanDerWaalsContact O-N 3.1Å | ||
| 28 | E | 35.4 | Very low | 54.4 | Low | 187 Ų | 187 | 127.1 Ų | 127.1 | 87% | 0.874 | 66% | 0.657 | S | S | * | * | trans | -50.3 | 112.9 | 168.7 | -67.4 | 176.6 | 152.2 | 0 | 0 | 110 | E26 E30 | E26-E28 PolarHBondContact O-N 3.45Å; E28-E30 PolarHBondContact O-N 2.93Å; E28-E30 VanDerWaalsContact O-N 3.12Å | ||
| 29 | V | 47.1 | Very low | 57.3 | Low | 134 Ų | 134 | 117.8 Ų | 117.8 | 81% | 0.812 | 61% | 0.613 | S | S | * | * | trans | -71.3 | 102.1 | 166.6 | 178.7 | 0 | 0 | 0 | 0 | 106.2 | H27 N31 | H27-V29 PolarHBondContact O-N 2.88Å; H27-V29 VanDerWaalsContact O-N 3.1Å; V29-N31 PolarHBondContact O-N 3.01Å | ||
| 30 | E | 50.2 | Low | 60.4 | Low | 145 Ų | 145 | 109.9 Ų | 109.9 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | trans | -48.9 | 124.4 | 167 | -88.3 | -177.2 | 153.9 | 0 | 0 | 108.3 | E28 N32 | E28-E30 PolarHBondContact O-N 2.93Å; E28-E30 VanDerWaalsContact O-N 3.12Å; E30-N32 PolarHBondContact O-N 2.69Å; E30-N32 PolarHBondContact OE2-ND2 2.87Å | ||
| 31 | N | 49.1 | Very low | 63.4 | Low | 156 Ų | 156 | 100.8 Ų | 100.8 | 83% | 0.834 | 53% | 0.53 | S | S | * | . | trans | -63.7 | 70.8 | 169 | -83.1 | -29.3 | 0 | 0 | 0 | 109.5 | V29 N33 | V29-N31 PolarHBondContact O-N 3.01Å; N31-N33 PolarHBondContact O-N 3.2Å; N31-N33 VanDerWaalsContact O-N 3.12Å | ||
| 32 | N | 67 | Low | 66.8 | Low | 96 Ų | 96 | 94.7 Ų | 94.7 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | trans | -80.1 | 95.9 | 176.5 | -80.5 | -32.9 | 0 | 0 | 0 | 107.3 | E30 P83 | E30-N32 PolarHBondContact O-N 2.69Å; E30-N32 PolarHBondContact OE2-ND2 2.87Å; N32-P83 WeakPolarHBondContact O-CG 3.33Å | ||
| 33 | N | 84.3 | Confident | 69.9 | Low | 142 Ų | 142 | 86.2 Ų | 86.2 | 76% | 0.759 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 132.6 | 172.5 | -77.5 | -13.5 | 0 | 0 | 0 | 109.3 | N31 T35 | N31-N33 PolarHBondContact O-N 3.2Å; N31-N33 VanDerWaalsContact O-N 3.12Å; N33-T35 PolarHBondContact O-N 3.08Å |
| 34 | P | 90.9 | Very high | 73.1 | Confident | 47 Ų | 47 | 78.5 Ų | 78.5 | 31% | 0.305 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -60 | 132.9 | -176.5 | 21 | -30.4 | 0 | 0 | 0 | 110.5 | T36 P83 H85 | P34-T36 PolarHBondContact O-N 2.89Å; P34-P83 WeakPolarHBondContact CA-O 3.44Å; P34-P83 HydrophobicContact CB-CB 4.2Å; P34-H85 WeakPolarHBondContact CB-CD2 3.48Å; P34-H85 WeakPolarHBondContact CB-NE2 3.32Å; P34-H85 WeakPolarHBondContact CG-CE1 3.44Å; P34-H85 WeakPolarHBondContact CG-NE2 3.03Å |
| 35 | T | 94.2 | Very high | 76.1 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 18% | 0.178 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 126.8 | 174.9 | -60.5 | 0 | 0 | 0 | 0 | 109 | N33 R82 P83 V84 H85 L264 A267 | N33-T35 PolarHBondContact O-N 3.08Å; T35-R82 VanDerWaalsContact CG2-NH2 3.31Å; T35-R82 VanDerWaalsContact OG1-CZ 3.26Å; T35-R82 PolarHBondContact OG1-NE 3Å; T35-R82 PolarHBondContact OG1-NH2 2.91Å; T35-P83 PolarHBondContact N-O 2.98Å; T35-V84 CarbonylContact O-C 3.56Å; T35-V84 VanDerWaalsContact O-CA 3.29Å; T35-V84 WeakPolarHBondContact O-CA 3.45Å; T35-V84 WeakPolarHBondContact O-CG1 3.31Å; T35-H85 PolarHBondContact O-N 3.21Å; T35-L264 HydrophobicContact CG2-CD2 3.83Å; T35-A267 HydrophobicContact CG2-CB 3.79Å |
| 36 | T | 95.3 | Very high | 79.2 | Confident | 57 Ų | 57 | 78.1 Ų | 78.1 | 35% | 0.35 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 130.9 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 110.1 | P34 H85 Q87 | P34-T36 PolarHBondContact O-N 2.89Å; T36-H85 CarbonylContact C-O 3.59Å; T36-H85 WeakPolarHBondContact CA-O 3.14Å; T36-Q87 HydrophobicContact CG2-CG 4.1Å |
| 37 | V | 96.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.9 | 172 | 168.6 | 0 | 0 | 0 | 0 | 107.8 | V84 H85 L86 Q87 H109 L264 | V37-V84 HydrophobicContact CB-CG1 4.15Å; V37-V84 HydrophobicContact CG2-CG1 3.85Å; V37-H85 PolarHBondContact N-O 3.2Å; V37-L86 HydrophobicContact CB-CD1 4.21Å; V37-L86 HydrophobicContact CG1-CD1 3.84Å; V37-L86 CarbonylContact O-C 3.51Å; V37-L86 WeakPolarHBondContact O-CA 3.15Å; V37-Q87 PolarHBondContact O-N 3.45Å; V37-H109 HydrophobicContact CG1-CB 4.37Å; V37-L264 HydrophobicContact CG2-CD2 3.91Å; V37-L264 HydrophobicContact CG2-CG 4.21Å |
| 38 | K | 97.5 | Very high | 84.9 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 14% | 0.139 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 114.7 | 176.6 | -176.2 | 178.6 | 175 | -174.3 | 0 | 110.6 | Q87 S104 L106 H109 V110 | K38-Q87 CarbonylContact C-O 3.59Å; K38-Q87 WeakPolarHBondContact CA-O 3.46Å; K38-Q87 HydrophobicContact CB-CB 4.36Å; K38-Q87 HydrophobicContact CG-CB 4.38Å; K38-S104 WeakPolarHBondContact CE-O 3.38Å; K38-S104 PolarHBondContact NZ-O 2.89Å; K38-L106 PolarHBondContact NZ-O 2.82Å; K38-H109 PolarHBondContact N-ND1 3.35Å; K38-H109 VanDerWaalsContact N-ND1 3.14Å; K38-H109 WeakPolarHBondContact O-CB 3.3Å; K38-H109 PolarHBondContact O-N 3.02Å; K38-V110 PolarHBondContact O-N 3.4Å |
| 39 | C | 97.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 143.7 | 172.2 | 74.2 | 0 | 0 | 0 | 0 | 111 | Q87 C89 V110 L112 | C39-Q87 PolarHBondContact N-O 2.74Å; C39-C89 PolarHBondContact O-N 3.3Å; C39-V110 CarbonylContact C-O 3.57Å; C39-V110 VanDerWaalsContact CA-O 3.3Å; C39-V110 WeakPolarHBondContact CA-O 3.44Å; C39-V110 HydrophobicContact CB-CB 4.12Å; C39-L112 HydrophobicContact CB-CD1 4.36Å |
| 40 | I | 97.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 126.8 | -177.7 | -53 | 175.1 | 0 | 0 | 0 | 108.7 | I42 C89 T91 S104 Y105 A108 V110 I111 L112 | I40-I42 HydrophobicContact CG2-CG2 3.93Å; I40-C89 HydrophobicContact CB-CB 4.37Å; I40-C89 HydrophobicContact CG1-CB 4.06Å; I40-C89 HydrophobicContact CG2-CB 4.22Å; I40-T91 HydrophobicContact CG2-CG2 3.53Å; I40-S104 VanDerWaalsContact CD1-C 3.43Å; I40-S104 WeakPolarHBondContact CD1-O 3.35Å; I40-Y105 HydrophobicContact CD1-CD1 3.95Å; I40-Y105 HydrophobicContact CG2-CD1 4.39Å; I40-Y105 HydrophobicContact CG2-CE1 4.28Å; I40-A108 HydrophobicContact CD1-CB 3.44Å; I40-A108 VanDerWaalsContact CD1-CB 3.44Å; I40-A108 HydrophobicContact CG1-CB 4.2Å; I40-V110 PolarHBondContact N-O 2.71Å; I40-I111 WeakPolarHBondContact O-CA 3.35Å; I40-L112 PolarHBondContact O-N 3.25Å |
| 41 | L | 98.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.1 | 174.9 | -69.2 | 77.5 | 0 | 0 | 0 | 109.3 | K49 L52 V53 I88 C89 T91 L112 | L41-K49 HydrophobicContact CB-CB 4.22Å; L41-K49 HydrophobicContact CB-CD 4.13Å; L41-K49 HydrophobicContact CB-CG 4.4Å; L41-K49 HydrophobicContact CD2-CB 4.09Å; L41-L52 HydrophobicContact CD2-CB 4.48Å; L41-L52 HydrophobicContact CD2-CD2 4Å; L41-V53 HydrophobicContact CD1-CG2 4.03Å; L41-V53 HydrophobicContact CD2-CG2 3.67Å; L41-V53 HydrophobicContact CG-CG2 4.49Å; L41-I88 HydrophobicContact CD1-CG2 3.55Å; L41-C89 PolarHBondContact N-O 3.31Å; L41-T91 WeakPolarHBondContact O-CB 3.37Å; L41-T91 WeakPolarHBondContact O-CG2 3.31Å; L41-T91 PolarHBondContact O-OG1 2.97Å; L41-L112 HydrophobicContact CD1-CD1 3.64Å; L41-L112 HydrophobicContact CG-CB 4.04Å; L41-L112 HydrophobicContact CG-CD1 3.71Å |
| 42 | I | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 161 | 173.9 | 71.3 | 177.1 | 0 | 0 | 0 | 111.1 | I40 T91 R101 Y105 I111 L112 L113 C114 W130 L134 | I40-I42 HydrophobicContact CG2-CG2 3.93Å; I42-T91 HydrophobicContact CG2-CG2 4.48Å; I42-R101 HydrophobicContact CG2-CG 4.47Å; I42-Y105 HydrophobicContact CD1-CE1 4.48Å; I42-Y105 HydrophobicContact CG2-CE1 3.71Å; I42-I111 HydrophobicContact CD1-CG2 3.71Å; I42-I111 HydrophobicContact CG1-CG2 3.88Å; I42-L112 PolarHBondContact N-O 3.3Å; I42-L113 HydrophobicContact CD1-CD2 3.66Å; I42-L113 HydrophobicContact CG1-CD2 3.78Å; I42-C114 WeakPolarHBondContact O-CB 3.43Å; I42-C114 PolarHBondContact O-N 2.92Å; I42-W130 HydrophobicContact CB-CE3 3.89Å; I42-W130 HydrophobicContact CB-CZ3 4.07Å; I42-W130 HydrophobicContact CD1-CB 4.39Å; I42-W130 HydrophobicContact CD1-CE3 4.09Å; I42-W130 HydrophobicContact CG1-CE3 4.2Å; I42-L134 HydrophobicContact CD1-CD1 3.78Å; I42-L134 HydrophobicContact CD1-CD2 3.86Å; I42-L134 HydrophobicContact CD1-CG 3.9Å |
| 43 | G | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | 140.8 | 166 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K49 G93 C114 W130 | G43-K49 PolarHBondContact O-NZ 3.05Å; G43-G93 VanDerWaalsContact O-CA 3.32Å; G43-G93 WeakPolarHBondContact O-CA 3.45Å; G43-C114 WeakPolarHBondContact CA-O 3.48Å; G43-W130 WeakPolarHBondContact O-CH2 3.33Å; G43-W130 WeakPolarHBondContact O-CZ2 3.31Å | ||
| 44 | D | 98 | Very high | 96.8 | Very high | 24 Ų | 24 | 24.9 Ų | 24.9 | 13% | 0.128 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -55.2 | 160.3 | -174.5 | -74.4 | 23.4 | 0 | 0 | 0 | 112.8 | V47 K49 T122 S125 W130 | D44-V47 HydrophobicContact CB-CG1 3.76Å; D44-V47 WeakPolarHBondContact O-CG1 3.38Å; D44-V47 VanDerWaalsContact O-CG2 3.32Å; D44-V47 WeakPolarHBondContact O-CG2 3.35Å; D44-V47 PolarHBondContact O-N 2.9Å; D44-K49 PolarHBondContact O-NZ 2.88Å; D44-K49 VanDerWaalsContact O-NZ 3.12Å; D44-T122 HydrophobicContact CB-CG2 3.69Å; D44-S125 WeakPolarHBondContact OD1-CB 3.2Å; D44-S125 PolarHBondContact OD1-OG 3.5Å; D44-S125 WeakPolarHBondContact OD2-CB 3.31Å; D44-S125 PolarHBondContact OD2-OG 3.09Å; D44-W130 PolarHBondContact OD1-NE1 3.44Å |
| 45 | K | 96.1 | Very high | 97.1 | Very high | 101 Ų | 101 | 22.7 Ų | 22.7 | 44% | 0.439 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 142.9 | 169.3 | 66.5 | -175.4 | 179.9 | -175.2 | 0 | 110.1 | V47 G93 R119 | K45-V47 PolarHBondContact O-N 3.03Å; K45-G93 PolarHBondContact N-O 3.36Å; K45-R119 PolarHBondContact O-NH1 3.38Å |
| 46 | Q | 95.8 | Very high | 97.3 | Very high | 113 Ų | 113 | 23.4 Ų | 23.4 | 53% | 0.528 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 24.3 | 176.4 | -55.1 | 173.4 | 9.4 | 0 | 0 | 115.4 | G48 Y65 R119 | Q46-G48 VanDerWaalsContact C-N 3.32Å; Q46-Y65 HydrophobicContact CG-CD1 3.77Å; Q46-Y65 HydrophobicContact CG-CD2 3.87Å; Q46-Y65 HydrophobicContact CG-CE1 3.53Å; Q46-Y65 HydrophobicContact CG-CE2 3.67Å; Q46-Y65 HydrophobicContact CG-CG 3.92Å; Q46-Y65 VanDerWaalsContact CG-CZ 3.48Å; Q46-Y65 VanDerWaalsContact NE2-CE1 3.35Å; Q46-R119 PolarHBondContact O-NH1 3.26Å |
| 47 | V | 97.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -76.1 | -22.1 | 168.3 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | D44 K45 K49 C114 T122 C202 | D44-V47 HydrophobicContact CB-CG1 3.76Å; D44-V47 WeakPolarHBondContact O-CG1 3.38Å; D44-V47 VanDerWaalsContact O-CG2 3.32Å; D44-V47 WeakPolarHBondContact O-CG2 3.35Å; D44-V47 PolarHBondContact O-N 2.9Å; K45-V47 PolarHBondContact O-N 3.03Å; V47-K49 HydrophobicContact CG2-CD 4.2Å; V47-K49 HydrophobicContact CG2-CG 3.55Å; V47-C114 HydrophobicContact CG2-CB 3.87Å; V47-T122 HydrophobicContact CG1-CG2 3.69Å; V47-C202 WeakPolarHBondContact O-CB 3.47Å |
| 48 | G | 97.2 | Very high | 97.1 | Very high | 20 Ų | 20 | 25 Ų | 25 | 21% | 0.206 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 115.3 | 16 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q46 S51 L52 | Q46-G48 VanDerWaalsContact C-N 3.32Å; G48-S51 PolarHBondContact O-N 3.05Å; G48-L52 WeakPolarHBondContact O-CB 3.38Å; G48-L52 PolarHBondContact O-N 3.23Å |
| 49 | K | 98 | Very high | 96.8 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.1 | -56.9 | 179.8 | -54.1 | -170 | -57 | -72.1 | 0 | 112.5 | L41 G43 D44 V47 S51 L52 V53 D90 T91 C114 | L41-K49 HydrophobicContact CB-CB 4.22Å; L41-K49 HydrophobicContact CB-CD 4.13Å; L41-K49 HydrophobicContact CB-CG 4.4Å; L41-K49 HydrophobicContact CD2-CB 4.09Å; G43-K49 PolarHBondContact O-NZ 3.05Å; D44-K49 PolarHBondContact O-NZ 2.88Å; D44-K49 VanDerWaalsContact O-NZ 3.12Å; V47-K49 HydrophobicContact CG2-CD 4.2Å; V47-K49 HydrophobicContact CG2-CG 3.55Å; K49-S51 VanDerWaalsContact C-N 3.33Å; K49-S51 PolarHBondContact O-N 2.99Å; K49-L52 WeakPolarHBondContact O-CA 3.5Å; K49-L52 VanDerWaalsContact O-CB 3.29Å; K49-L52 WeakPolarHBondContact O-CB 3.33Å; K49-L52 PolarHBondContact O-N 3.15Å; K49-V53 WeakPolarHBondContact O-CG2 3.38Å; K49-V53 PolarHBondContact O-N 3.12Å; K49-D90 WeakPolarHBondContact CB-OD1 3.45Å; K49-T91 WeakPolarHBondContact CE-O 3.47Å; K49-T91 PolarHBondContact NZ-O 3.01Å; K49-C114 HydrophobicContact CD-CB 4.24Å; K49-C114 HydrophobicContact CG-CB 3.87Å |
| 50 | T | 97.1 | Very high | 96.5 | Very high | 36 Ų | 36 | 34 Ų | 34 | 22% | 0.221 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 177.7 | -42.6 | 0 | 0 | 0 | 0 | 112.1 | L52 V53 V54 S68 D90 | T50-L52 VanDerWaalsContact C-N 3.28Å; T50-L52 PolarHBondContact O-N 2.99Å; T50-V53 PolarHBondContact O-N 3.35Å; T50-V54 HydrophobicContact CG2-CG2 4.35Å; T50-V54 WeakPolarHBondContact O-CB 3.37Å; T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.38Å; T50-V54 PolarHBondContact O-N 2.68Å; T50-S68 PolarHBondContact OG1-OG 3.41Å; T50-D90 WeakPolarHBondContact CA-OD2 3.29Å; T50-D90 VanDerWaalsContact CB-OD2 3.22Å; T50-D90 WeakPolarHBondContact CB-OD2 3.49Å; T50-D90 WeakPolarHBondContact CG2-OD2 3.26Å; T50-D90 PolarHBondContact N-OD1 3.35Å; T50-D90 PolarHBondContact OG1-OD2 3.15Å |
| 51 | S | 97.6 | Very high | 96.2 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.3 | -39 | 175.3 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | G48 K49 S55 A246 | G48-S51 PolarHBondContact O-N 3.05Å; K49-S51 VanDerWaalsContact C-N 3.33Å; K49-S51 PolarHBondContact O-N 2.99Å; S51-S55 WeakPolarHBondContact O-CB 3.42Å; S51-S55 PolarHBondContact O-N 3.05Å; S51-A246 WeakPolarHBondContact O-CB 3.48Å |
| 52 | L | 97.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 177 | -171 | 69.4 | 0 | 0 | 0 | 111.4 | L41 G48 K49 T50 Y56 I200 L252 V255 F256 | L41-L52 HydrophobicContact CD2-CB 4.48Å; L41-L52 HydrophobicContact CD2-CD2 4Å; G48-L52 WeakPolarHBondContact O-CB 3.38Å; G48-L52 PolarHBondContact O-N 3.23Å; K49-L52 WeakPolarHBondContact O-CA 3.5Å; K49-L52 VanDerWaalsContact O-CB 3.29Å; K49-L52 WeakPolarHBondContact O-CB 3.33Å; K49-L52 PolarHBondContact O-N 3.15Å; T50-L52 VanDerWaalsContact C-N 3.28Å; T50-L52 PolarHBondContact O-N 2.99Å; L52-Y56 WeakPolarHBondContact O-CB 3.47Å; L52-Y56 PolarHBondContact O-N 2.74Å; L52-Y56 VanDerWaalsContact O-N 3.13Å; L52-I200 HydrophobicContact CD2-CG2 4.32Å; L52-L252 HydrophobicContact CD1-CD1 3.43Å; L52-L252 VanDerWaalsContact CD1-CD1 3.43Å; L52-L252 HydrophobicContact CG-CD1 4.23Å; L52-V255 HydrophobicContact CD2-CG1 4.26Å; L52-F256 HydrophobicContact CG-CE2 4.01Å; L52-F256 HydrophobicContact CG-CZ 4.23Å |
| 53 | V | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -53.3 | 177.2 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | L41 K49 T50 S55 Y56 T57 F73 I88 D90 | L41-V53 HydrophobicContact CD1-CG2 4.03Å; L41-V53 HydrophobicContact CD2-CG2 3.67Å; L41-V53 HydrophobicContact CG-CG2 4.49Å; K49-V53 WeakPolarHBondContact O-CG2 3.38Å; K49-V53 PolarHBondContact O-N 3.12Å; T50-V53 PolarHBondContact O-N 3.35Å; V53-S55 VanDerWaalsContact C-N 3.32Å; V53-S55 PolarHBondContact O-N 3.15Å; V53-Y56 PolarHBondContact O-N 3.02Å; V53-Y56 VanDerWaalsContact O-N 3.09Å; V53-T57 HydrophobicContact CG1-CG2 4.02Å; V53-T57 WeakPolarHBondContact O-CG2 3.22Å; V53-T57 PolarHBondContact O-N 3.4Å; V53-T57 PolarHBondContact O-OG1 3.2Å; V53-F73 HydrophobicContact CG1-CB 4.39Å; V53-F73 HydrophobicContact CG1-CD1 4.38Å; V53-F73 HydrophobicContact CG1-CD2 3.36Å; V53-F73 HydrophobicContact CG1-CE2 3.59Å; V53-F73 HydrophobicContact CG1-CG 3.8Å; V53-F73 HydrophobicContact CG1-CZ 4.21Å; V53-I88 HydrophobicContact CG1-CG2 4.05Å; V53-I88 HydrophobicContact CG2-CG2 3.69Å; V53-D90 HydrophobicContact CG2-CB 4.13Å |
| 54 | V | 96.4 | Very high | 94.9 | Very high | 31 Ų | 31 | 52.5 Ų | 52.5 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.6 | -43.1 | -179.7 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | T50 Y56 T57 S58 D60 | T50-V54 HydrophobicContact CG2-CG2 4.35Å; T50-V54 WeakPolarHBondContact O-CB 3.37Å; T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.38Å; T50-V54 PolarHBondContact O-N 2.68Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.44Å; V54-T57 PolarHBondContact O-N 3.36Å; V54-S58 WeakPolarHBondContact O-CA 3.43Å; V54-S58 WeakPolarHBondContact O-CB 3.31Å; V54-S58 PolarHBondContact O-N 2.93Å; V54-D60 HydrophobicContact CG1-CB 4.3Å |
| 55 | S | 97 | Very high | 94.4 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 177.5 | -172.6 | 0 | 0 | 0 | 0 | 112 | S51 V53 N59 D60 A246 L252 | S51-S55 WeakPolarHBondContact O-CB 3.42Å; S51-S55 PolarHBondContact O-N 3.05Å; V53-S55 VanDerWaalsContact C-N 3.32Å; V53-S55 PolarHBondContact O-N 3.15Å; S55-N59 VanDerWaalsContact O-CA 3.27Å; S55-N59 WeakPolarHBondContact O-CA 3.46Å; S55-N59 PolarHBondContact O-N 3.31Å; S55-N59 VanDerWaalsContact O-N 3.1Å; S55-D60 WeakPolarHBondContact CA-O 3.5Å; S55-D60 WeakPolarHBondContact CB-O 3.33Å; S55-D60 PolarHBondContact N-O 3.38Å; S55-A246 WeakPolarHBondContact CB-O 3.42Å; S55-A246 PolarHBondContact OG-O 3.15Å; S55-L252 VanDerWaalsContact OG-CD2 3.3Å; S55-L252 WeakPolarHBondContact OG-CD2 3.28Å |
| 56 | Y | 96.8 | Very high | 94.1 | Very high | 43 Ų | 43 | 61 Ų | 61 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.9 | -43.9 | 177.5 | -179.1 | -109.3 | 0 | 0 | 0 | 113.3 | L52 V53 V54 V75 L86 I88 L252 F256 | L52-Y56 WeakPolarHBondContact O-CB 3.47Å; L52-Y56 PolarHBondContact O-N 2.74Å; L52-Y56 VanDerWaalsContact O-N 3.13Å; V53-Y56 PolarHBondContact O-N 3.02Å; V53-Y56 VanDerWaalsContact O-N 3.09Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.44Å; Y56-V75 HydrophobicContact CE1-CG1 4.41Å; Y56-V75 HydrophobicContact CE1-CG2 4.23Å; Y56-L86 HydrophobicContact CE1-CD2 4.08Å; Y56-I88 HydrophobicContact CD1-CD1 3.74Å; Y56-I88 HydrophobicContact CE1-CD1 3.91Å; Y56-L252 HydrophobicContact CD2-CG 4.37Å; Y56-F256 HydrophobicContact CD1-CB 4.44Å; Y56-F256 AromaticContact CD1-CD1 3.94Å; Y56-F256 HydrophobicContact CD1-CD1 3.94Å; Y56-F256 AromaticContact CD1-CD2 3.73Å; Y56-F256 HydrophobicContact CD1-CD2 3.73Å; Y56-F256 HydrophobicContact CD1-CE1 4.07Å; Y56-F256 AromaticContact CD1-CE2 3.88Å; Y56-F256 HydrophobicContact CD1-CE2 3.88Å; Y56-F256 AromaticContact CD1-CG 3.76Å; Y56-F256 HydrophobicContact CD1-CG 3.76Å; Y56-F256 HydrophobicContact CD1-CZ 4.04Å; Y56-F256 HydrophobicContact CD2-CB 4.05Å; Y56-F256 AromaticContact CD2-CD2 3.3Å; Y56-F256 HydrophobicContact CD2-CD2 3.3Å; Y56-F256 AromaticContact CD2-CE2 3.92Å; Y56-F256 HydrophobicContact CD2-CE2 3.92Å; Y56-F256 AromaticContact CD2-CG 3.79Å; Y56-F256 HydrophobicContact CD2-CG 3.79Å; Y56-F256 HydrophobicContact CE1-CB 4Å; Y56-F256 AromaticContact CE1-CD1 3.96Å; Y56-F256 HydrophobicContact CE1-CD1 3.96Å; Y56-F256 HydrophobicContact CE1-CD2 4.17Å; Y56-F256 HydrophobicContact CE1-CE1 4.5Å; Y56-F256 AromaticContact CE1-CG 3.77Å; Y56-F256 HydrophobicContact CE1-CG 3.77Å; Y56-F256 HydrophobicContact CE2-CB 3.56Å; Y56-F256 AromaticContact CE2-CD2 3.79Å; Y56-F256 HydrophobicContact CE2-CD2 3.79Å; Y56-F256 AromaticContact CE2-CG 3.8Å; Y56-F256 HydrophobicContact CE2-CG 3.8Å; Y56-F256 HydrophobicContact CG-CB 4.45Å; Y56-F256 HydrophobicContact CG-CD1 4.33Å; Y56-F256 AromaticContact CG-CD2 3.26Å; Y56-F256 HydrophobicContact CG-CD2 3.26Å; Y56-F256 HydrophobicContact CG-CE1 4.45Å; Y56-F256 AromaticContact CG-CE2 3.42Å; Y56-F256 HydrophobicContact CG-CE2 3.42Å; Y56-F256 VanDerWaalsContact CG-CE2 3.42Å; Y56-F256 AromaticContact CG-CG 3.76Å; Y56-F256 HydrophobicContact CG-CG 3.76Å; Y56-F256 HydrophobicContact CG-CZ 4.03Å; Y56-F256 AromaticContact CZ-CG 3.78Å |
| 57 | T | 94.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -81 | -22.4 | -173.7 | 59 | 0 | 0 | 0 | 0 | 113.2 | V53 V54 F73 V75 I88 I314 | V53-T57 HydrophobicContact CG1-CG2 4.02Å; V53-T57 WeakPolarHBondContact O-CG2 3.22Å; V53-T57 PolarHBondContact O-N 3.4Å; V53-T57 PolarHBondContact O-OG1 3.2Å; V54-T57 PolarHBondContact O-N 3.36Å; T57-F73 HydrophobicContact CG2-CB 4.09Å; T57-F73 HydrophobicContact CG2-CD1 4.39Å; T57-F73 HydrophobicContact CG2-CG 4.36Å; T57-V75 HydrophobicContact CG2-CG2 3.86Å; T57-I88 HydrophobicContact CG2-CD1 4.16Å; T57-I314 WeakPolarHBondContact O-CD1 3.25Å |
| 58 | S | 93.4 | Very high | 93.4 | Very high | 74 Ų | 74 | 60.1 Ų | 60.1 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -133.9 | -0.5 | -168.7 | -53.2 | 0 | 0 | 0 | 0 | 113.8 | V54 D60 | V54-S58 WeakPolarHBondContact O-CA 3.43Å; V54-S58 WeakPolarHBondContact O-CB 3.31Å; V54-S58 PolarHBondContact O-N 2.93Å; S58-D60 PolarHBondContact O-N 2.86Å; S58-D60 VanDerWaalsContact O-N 3.16Å |
| 59 | N | 91.5 | Very high | 93.1 | Very high | 120 Ų | 120 | 61.2 Ų | 61.2 | 64% | 0.642 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 50.9 | 32 | -172.2 | -66.9 | -47.9 | 0 | 0 | 0 | 112.7 | S55 | S55-N59 VanDerWaalsContact O-CA 3.27Å; S55-N59 WeakPolarHBondContact O-CA 3.46Å; S55-N59 PolarHBondContact O-N 3.31Å; S55-N59 VanDerWaalsContact O-N 3.1Å |
| 60 | D | 92.4 | Very high | 92.9 | Very high | 103 Ų | 103 | 63.3 Ų | 63.3 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | trans | -126.1 | 167.7 | -175.5 | -165 | 9.8 | 0 | 0 | 0 | 110.8 | V54 S55 S58 | V54-D60 HydrophobicContact CG1-CB 4.3Å; S55-D60 WeakPolarHBondContact CA-O 3.5Å; S55-D60 WeakPolarHBondContact CB-O 3.33Å; S55-D60 PolarHBondContact N-O 3.38Å; S58-D60 PolarHBondContact O-N 2.86Å; S58-D60 VanDerWaalsContact O-N 3.16Å | ||
| 61 | Y | 90.3 | Very high | 92.8 | Very high | 96 Ų | 96 | 65.1 Ų | 65.1 | 38% | 0.376 | 35% | 0.349 | S | S | . | . | trans | -137 | 125 | 177.3 | -175.3 | -88.4 | 0 | 0 | 0 | 110.6 | A63 A246 L247 | Y61-A63 PolarHBondContact O-N 3.37Å; Y61-A246 HydrophobicContact CD2-CB 4.02Å; Y61-A246 HydrophobicContact CE2-CB 3.9Å; Y61-L247 HydrophobicContact CD1-CD1 3.91Å; Y61-L247 HydrophobicContact CD2-CB 4.12Å; Y61-L247 HydrophobicContact CD2-CD1 4.37Å; Y61-L247 HydrophobicContact CE1-CD1 4.14Å; Y61-L247 HydrophobicContact CE2-CB 3.91Å; Y61-L247 HydrophobicContact CG-CD1 4.02Å | ||
| 62 | P | 89.5 | Confident | 92.7 | Very high | 41 Ų | 41 | 67.8 Ų | 67.8 | 27% | 0.266 | 37% | 0.365 | S | S | . | . | trans | -66.6 | 121.3 | -176.9 | 27.3 | -33.5 | 0 | 0 | 0 | 110.6 | E64 | P62-E64 VanDerWaalsContact C-N 3.25Å; P62-E64 PolarHBondContact O-N 3.4Å | ||
| 63 | A | 87.6 | Confident | 92.6 | Very high | 105 Ų | 105 | 70.9 Ų | 70.9 | 87% | 0.868 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -65.7 | -29.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y61 | Y61-A63 PolarHBondContact O-N 3.37Š|
| 64 | E | 90.3 | Very high | 92.4 | Very high | 146 Ų | 146 | 74.5 Ų | 74.5 | 68% | 0.682 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -125.9 | 145.7 | -179 | -67.2 | -178 | 175.9 | 0 | 0 | 111.3 | P62 R66 | P62-E64 VanDerWaalsContact C-N 3.25Å; P62-E64 PolarHBondContact O-N 3.4Å; E64-R66 PolarHBondContact O-N 3.31Å |
| 65 | Y | 87.5 | Confident | 92.4 | Very high | 106 Ų | 106 | 74.1 Ų | 74.1 | 42% | 0.416 | 40% | 0.4 | S | S | . | . | trans | -76.2 | 121.2 | 175.3 | 173.6 | -112.3 | 0 | 0 | 0 | 111.2 | Q46 P67 | Q46-Y65 HydrophobicContact CG-CD1 3.77Å; Q46-Y65 HydrophobicContact CG-CD2 3.87Å; Q46-Y65 HydrophobicContact CG-CE1 3.53Å; Q46-Y65 HydrophobicContact CG-CE2 3.67Å; Q46-Y65 HydrophobicContact CG-CG 3.92Å; Q46-Y65 VanDerWaalsContact CG-CZ 3.48Å; Q46-Y65 VanDerWaalsContact NE2-CE1 3.35Å; Y65-P67 HydrophobicContact CE1-CB 4.38Å; Y65-P67 HydrophobicContact CE1-CG 3.72Å | ||
| 66 | R | 89.5 | Confident | 92.2 | Very high | 197 Ų | 197 | 79 Ų | 79 | 74% | 0.743 | 42% | 0.423 | S | S | * | . | trans | -115.6 | 125.2 | 166.4 | -65 | -174.2 | -180 | -173.6 | 0.8 | 109.3 | E64 S68 | E64-R66 PolarHBondContact O-N 3.31Å; R66-S68 PolarHBondContact O-N 2.93Å | ||
| 67 | P | 89.5 | Confident | 92.1 | Very high | 80 Ų | 80 | 78.3 Ų | 78.3 | 52% | 0.519 | 42% | 0.423 | S | S | . | . | trans | -65.1 | 125.2 | 177 | -18.9 | 29.4 | 0 | 0 | 0 | 112.4 | Y65 | Y65-P67 HydrophobicContact CE1-CB 4.38Å; Y65-P67 HydrophobicContact CE1-CG 3.72Å | ||
| 68 | S | 89.8 | Confident | 92 | Very high | 17 Ų | 17 | 82.5 Ų | 82.5 | 12% | 0.119 | 45% | 0.452 | C | S | . | . | trans | -79.3 | 149.2 | 170.3 | -40.7 | 0 | 0 | 0 | 0 | 111.4 | T50 R66 D90 G92 | T50-S68 PolarHBondContact OG1-OG 3.41Å; R66-S68 PolarHBondContact O-N 2.93Å; S68-D90 WeakPolarHBondContact CB-OD2 3.49Å; S68-D90 PolarHBondContact OG-OD2 3.38Å; S68-G92 WeakPolarHBondContact O-CA 3.46Å | ||
| 69 | A | 91.5 | Very high | 91.9 | Very high | 42 Ų | 42 | 80.2 Ų | 80.2 | 35% | 0.347 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -95.2 | -66.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G92 V97 L100 | A69-G92 PolarHBondContact O-N 3.4Å; A69-V97 HydrophobicContact CB-CG1 4Å; A69-L100 HydrophobicContact CB-CD1 4.27Å |
| 70 | L | 94.1 | Very high | 91.8 | Very high | 54 Ų | 54 | 82 Ų | 82 | 28% | 0.283 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 121.4 | 169.6 | 173.4 | 65.4 | 0 | 0 | 0 | 107.6 | C89 D90 T91 L100 | L70-C89 HydrophobicContact CD1-CB 4.2Å; L70-D90 CarbonylContact C-O 3.53Å; L70-D90 WeakPolarHBondContact CA-O 3.11Å; L70-T91 HydrophobicContact CD1-CG2 3.9Å; L70-L100 HydrophobicContact CB-CB 4.39Å; L70-L100 HydrophobicContact CD2-CB 4.43Å |
| 71 | D | 94 | Very high | 91.6 | Very high | 75 Ų | 75 | 83.8 Ų | 83.8 | 40% | 0.401 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.8 | 173.9 | -65.1 | -64.6 | 0 | 0 | 0 | 109.1 | F73 C89 D90 | D71-F73 HydrophobicContact CB-CD2 4.42Å; D71-F73 HydrophobicContact CB-CE2 3.58Å; D71-F73 HydrophobicContact CB-CZ 4.07Å; D71-C89 CarbonylContact O-C 3.45Å; D71-C89 WeakPolarHBondContact O-CA 2.96Å; D71-D90 HydrophobicContact CB-CB 4.46Å; D71-D90 PolarHBondContact N-O 2.92Å; D71-D90 PolarHBondContact O-N 2.83Å |
| 72 | T | 95 | Very high | 91.6 | Very high | 76 Ų | 76 | 82.6 Ų | 82.6 | 47% | 0.466 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.4 | 177.9 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | I88 | T72-I88 WeakPolarHBondContact CA-O 3.37Å |
| 73 | F | 95.8 | Very high | 91.9 | Very high | 66 Ų | 66 | 82.7 Ų | 82.7 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 141 | 178.3 | -58.1 | -98.4 | 0 | 0 | 0 | 109.3 | V53 T57 D71 Q87 I88 D90 | V53-F73 HydrophobicContact CG1-CB 4.39Å; V53-F73 HydrophobicContact CG1-CD1 4.38Å; V53-F73 HydrophobicContact CG1-CD2 3.36Å; V53-F73 HydrophobicContact CG1-CE2 3.59Å; V53-F73 HydrophobicContact CG1-CG 3.8Å; V53-F73 HydrophobicContact CG1-CZ 4.21Å; T57-F73 HydrophobicContact CG2-CB 4.09Å; T57-F73 HydrophobicContact CG2-CD1 4.39Å; T57-F73 HydrophobicContact CG2-CG 4.36Å; D71-F73 HydrophobicContact CB-CD2 4.42Å; D71-F73 HydrophobicContact CB-CE2 3.58Å; D71-F73 HydrophobicContact CB-CZ 4.07Å; F73-Q87 CarbonylContact O-C 3.52Å; F73-Q87 WeakPolarHBondContact O-CA 3.41Å; F73-I88 HydrophobicContact CB-CB 4.35Å; F73-I88 PolarHBondContact N-O 3.09Å; F73-I88 PolarHBondContact O-N 3.27Å; F73-D90 HydrophobicContact CE2-CB 4.32Å |
| 74 | C | 94.6 | Very high | 92.3 | Very high | 76 Ų | 76 | 77.8 Ų | 77.8 | 51% | 0.514 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.3 | 176.8 | -66.4 | 0 | 0 | 0 | 0 | 109.2 | L86 | C74-L86 WeakPolarHBondContact CA-O 3.48Å |
| 75 | V | 94.8 | Very high | 92.6 | Very high | 22 Ų | 22 | 73.9 Ų | 73.9 | 13% | 0.133 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.1 | 176.4 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | Y56 T57 V77 L86 I88 | Y56-V75 HydrophobicContact CE1-CG1 4.41Å; Y56-V75 HydrophobicContact CE1-CG2 4.23Å; T57-V75 HydrophobicContact CG2-CG2 3.86Å; V75-V77 HydrophobicContact CG1-CG1 3.76Å; V75-L86 PolarHBondContact N-O 3.44Å; V75-L86 PolarHBondContact O-N 3Å; V75-I88 HydrophobicContact CG2-CD1 3.96Å |
| 76 | E | 94.7 | Very high | 93.1 | Very high | 103 Ų | 103 | 68.9 Ų | 68.9 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 123.6 | 171.9 | -62.1 | -177.4 | -178.3 | 0 | 0 | 108.8 | V84 H85 | E76-V84 WeakPolarHBondContact CA-O 3.34Å; E76-H85 IonicContact OE1-NE2 3.19Å |
| 77 | V | 94.1 | Very high | 93.5 | Very high | 29 Ų | 29 | 62.6 Ų | 62.6 | 18% | 0.176 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 155.1 | -179.4 | -60.4 | 0 | 0 | 0 | 0 | 110.2 | V75 V84 I260 | V75-V77 HydrophobicContact CG1-CG1 3.76Å; V77-V84 HydrophobicContact CG2-CB 3.82Å; V77-V84 HydrophobicContact CG2-CG1 4.32Å; V77-V84 PolarHBondContact N-O 3.03Å; V77-V84 PolarHBondContact O-N 3.21Å; V77-I260 HydrophobicContact CB-CD1 4.48Å; V77-I260 HydrophobicContact CG2-CD1 3.66Å; V77-I260 HydrophobicContact CG2-CG1 4.23Å |
| 78 | C | 92.7 | Very high | 93.9 | Very high | 105 Ų | 105 | 58.8 Ų | 58.8 | 71% | 0.709 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.9 | 173.3 | -71.6 | 0 | 0 | 0 | 0 | 109.7 | R82 | C78-R82 WeakPolarHBondContact CA-O 3.4Å |
| 79 | A | 91.6 | Very high | 94.2 | Very high | 26 Ų | 26 | 58.1 Ų | 58.1 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109 | T81 R82 V84 I260 L264 | A79-T81 VanDerWaalsContact C-N 3.28Å; A79-T81 PolarHBondContact O-N 3Å; A79-R82 PolarHBondContact N-O 2.92Å; A79-R82 WeakPolarHBondContact O-CA 3.33Å; A79-R82 WeakPolarHBondContact O-CB 3.46Å; A79-R82 PolarHBondContact O-N 3.44Å; A79-V84 HydrophobicContact CB-CG2 4.08Å; A79-I260 HydrophobicContact CB-CG2 3.84Å; A79-L264 HydrophobicContact CB-CD1 3.84Å |
| 80 | D | 88.3 | Confident | 94.5 | Very high | 157 Ų | 157 | 56.1 Ų | 56.1 | 84% | 0.84 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 47.9 | -176.5 | -63.3 | -31 | 0 | 0 | 0 | 113.4 | R82 | D80-R82 PolarHBondContact O-N 3.47Å; D80-R82 VanDerWaalsContact O-N 3.15Å |
| 81 | T | 87.5 | Confident | 94.5 | Very high | 141 Ų | 141 | 53.6 Ų | 53.6 | 87% | 0.865 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | -0.4 | -176.1 | 70.7 | 0 | 0 | 0 | 0 | 116.1 | A79 | A79-T81 VanDerWaalsContact C-N 3.28Å; A79-T81 PolarHBondContact O-N 3Å |
| 82 | R | 91.6 | Very high | 94.4 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.2 | 172.2 | -174.5 | -177.4 | -176.9 | 169.1 | 3.3 | 110 | T35 C78 A79 D80 D268 | T35-R82 VanDerWaalsContact CG2-NH2 3.31Å; T35-R82 VanDerWaalsContact OG1-CZ 3.26Å; T35-R82 PolarHBondContact OG1-NE 3Å; T35-R82 PolarHBondContact OG1-NH2 2.91Å; C78-R82 WeakPolarHBondContact CA-O 3.4Å; A79-R82 PolarHBondContact N-O 2.92Å; A79-R82 WeakPolarHBondContact O-CA 3.33Å; A79-R82 WeakPolarHBondContact O-CB 3.46Å; A79-R82 PolarHBondContact O-N 3.44Å; D80-R82 PolarHBondContact O-N 3.47Å; D80-R82 VanDerWaalsContact O-N 3.15Å; R82-D268 IonicContact CZ-OD1 2.76Å; R82-D268 VanDerWaalsContact NH1-CG 3.26Å; R82-D268 IonicContact NH1-OD1 3.48Å; R82-D268 PolarHBondContact NH1-OD1 3.5Å; R82-D268 IonicContact NH1-OD2 2.69Å; R82-D268 PolarHBondContact NH1-OD2 2.79Å; R82-D268 IonicContact NH2-OD1 3.52Å; R82-D268 PolarHBondContact NH2-OD1 3.41Å |
| 83 | P | 95.3 | Very high | 94.1 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 28% | 0.279 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 132.5 | 171.3 | 27.6 | -31.8 | 0 | 0 | 0 | 110.2 | N32 P34 T35 | N32-P83 WeakPolarHBondContact O-CG 3.33Å; P34-P83 WeakPolarHBondContact CA-O 3.44Å; P34-P83 HydrophobicContact CB-CB 4.2Å; T35-P83 PolarHBondContact N-O 2.98Å |
| 84 | V | 96.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.4 | -176.6 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | T35 V37 E76 V77 A79 I260 L264 | T35-V84 CarbonylContact O-C 3.56Å; T35-V84 VanDerWaalsContact O-CA 3.29Å; T35-V84 WeakPolarHBondContact O-CA 3.45Å; T35-V84 WeakPolarHBondContact O-CG1 3.31Å; V37-V84 HydrophobicContact CB-CG1 4.15Å; V37-V84 HydrophobicContact CG2-CG1 3.85Å; E76-V84 WeakPolarHBondContact CA-O 3.34Å; V77-V84 HydrophobicContact CG2-CB 3.82Å; V77-V84 HydrophobicContact CG2-CG1 4.32Å; V77-V84 PolarHBondContact N-O 3.03Å; V77-V84 PolarHBondContact O-N 3.21Å; A79-V84 HydrophobicContact CB-CG2 4.08Å; V84-I260 HydrophobicContact CG1-CG2 4.34Å; V84-I260 HydrophobicContact CG2-CG2 4.4Å; V84-L264 HydrophobicContact CG1-CD2 4.37Å; V84-L264 HydrophobicContact CG2-CD1 4.09Å; V84-L264 HydrophobicContact CG2-CD2 3.88Å; V84-L264 HydrophobicContact CG2-CG 4.41Å |
| 85 | H | 96.4 | Very high | 93.6 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 30% | 0.301 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 98.5 | 167.8 | -74.5 | -172.4 | 0 | 0 | 0 | 108.6 | P34 T35 T36 V37 E76 Q87 | P34-H85 WeakPolarHBondContact CB-CD2 3.48Å; P34-H85 WeakPolarHBondContact CB-NE2 3.32Å; P34-H85 WeakPolarHBondContact CG-CE1 3.44Å; P34-H85 WeakPolarHBondContact CG-NE2 3.03Å; T35-H85 PolarHBondContact O-N 3.21Å; T36-H85 CarbonylContact C-O 3.59Å; T36-H85 WeakPolarHBondContact CA-O 3.14Å; V37-H85 PolarHBondContact N-O 3.2Å; E76-H85 IonicContact OE1-NE2 3.19Å; H85-Q87 PolarHBondContact O-N 3.47Å |
| 86 | L | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 110.7 | 177.2 | -179 | 65.1 | 0 | 0 | 0 | 109.6 | V37 Y56 C74 V75 I88 F256 I260 | V37-L86 HydrophobicContact CB-CD1 4.21Å; V37-L86 HydrophobicContact CG1-CD1 3.84Å; V37-L86 CarbonylContact O-C 3.51Å; V37-L86 WeakPolarHBondContact O-CA 3.15Å; Y56-L86 HydrophobicContact CE1-CD2 4.08Å; C74-L86 WeakPolarHBondContact CA-O 3.48Å; V75-L86 PolarHBondContact N-O 3.44Å; V75-L86 PolarHBondContact O-N 3Å; L86-I88 HydrophobicContact CD2-CD1 3.94Å; L86-I88 HydrophobicContact CD2-CG1 3.94Å; L86-I88 HydrophobicContact CG-CD1 4.3Å; L86-I88 HydrophobicContact CG-CG1 3.79Å; L86-F256 HydrophobicContact CD2-CD1 4.15Å; L86-I260 HydrophobicContact CD1-CG1 4.16Å; L86-I260 HydrophobicContact CD2-CD1 4.18Å; L86-I260 HydrophobicContact CD2-CG1 3.96Å |
| 87 | Q | 97.7 | Very high | 93.2 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 31% | 0.308 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117.6 | 169.1 | -66.2 | -178.5 | -3.8 | 0 | 0 | 109.2 | T36 V37 K38 C39 F73 H85 | T36-Q87 HydrophobicContact CG2-CG 4.1Å; V37-Q87 PolarHBondContact O-N 3.45Å; K38-Q87 CarbonylContact C-O 3.59Å; K38-Q87 WeakPolarHBondContact CA-O 3.46Å; K38-Q87 HydrophobicContact CB-CB 4.36Å; K38-Q87 HydrophobicContact CG-CB 4.38Å; C39-Q87 PolarHBondContact N-O 2.74Å; F73-Q87 CarbonylContact O-C 3.52Å; F73-Q87 WeakPolarHBondContact O-CA 3.41Å; H85-Q87 PolarHBondContact O-N 3.47Å |
| 88 | I | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 111.4 | -179 | -51.1 | 172.4 | 0 | 0 | 0 | 108.2 | L41 V53 Y56 T57 T72 F73 V75 L86 F256 | L41-I88 HydrophobicContact CD1-CG2 3.55Å; V53-I88 HydrophobicContact CG1-CG2 4.05Å; V53-I88 HydrophobicContact CG2-CG2 3.69Å; Y56-I88 HydrophobicContact CD1-CD1 3.74Å; Y56-I88 HydrophobicContact CE1-CD1 3.91Å; T57-I88 HydrophobicContact CG2-CD1 4.16Å; T72-I88 WeakPolarHBondContact CA-O 3.37Å; F73-I88 HydrophobicContact CB-CB 4.35Å; F73-I88 PolarHBondContact N-O 3.09Å; F73-I88 PolarHBondContact O-N 3.27Å; V75-I88 HydrophobicContact CG2-CD1 3.96Å; L86-I88 HydrophobicContact CD2-CD1 3.94Å; L86-I88 HydrophobicContact CD2-CG1 3.94Å; L86-I88 HydrophobicContact CG-CD1 4.3Å; L86-I88 HydrophobicContact CG-CG1 3.79Å; I88-F256 HydrophobicContact CD1-CD1 4.12Å; I88-F256 HydrophobicContact CD1-CE1 3.71Å; I88-F256 HydrophobicContact CD1-CZ 4.43Å; I88-F256 HydrophobicContact CG1-CE1 4.23Å; I88-F256 HydrophobicContact CG2-CE1 4.12Å |
| 89 | C | 97.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 107.3 | 174.8 | -60.4 | 0 | 0 | 0 | 0 | 110.2 | C39 I40 L41 L70 D71 | C39-C89 PolarHBondContact O-N 3.3Å; I40-C89 HydrophobicContact CB-CB 4.37Å; I40-C89 HydrophobicContact CG1-CB 4.06Å; I40-C89 HydrophobicContact CG2-CB 4.22Å; L41-C89 PolarHBondContact N-O 3.31Å; L70-C89 HydrophobicContact CD1-CB 4.2Å; D71-C89 CarbonylContact O-C 3.45Å; D71-C89 WeakPolarHBondContact O-CA 2.96Å |
| 90 | D | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 116.8 | 167.6 | -175.9 | 32.5 | 0 | 0 | 0 | 109.2 | K49 T50 V53 S68 L70 D71 F73 | K49-D90 WeakPolarHBondContact CB-OD1 3.45Å; T50-D90 WeakPolarHBondContact CA-OD2 3.29Å; T50-D90 VanDerWaalsContact CB-OD2 3.22Å; T50-D90 WeakPolarHBondContact CB-OD2 3.49Å; T50-D90 WeakPolarHBondContact CG2-OD2 3.26Å; T50-D90 PolarHBondContact N-OD1 3.35Å; T50-D90 PolarHBondContact OG1-OD2 3.15Å; V53-D90 HydrophobicContact CG2-CB 4.13Å; S68-D90 WeakPolarHBondContact CB-OD2 3.49Å; S68-D90 PolarHBondContact OG-OD2 3.38Å; L70-D90 CarbonylContact C-O 3.53Å; L70-D90 WeakPolarHBondContact CA-O 3.11Å; D71-D90 HydrophobicContact CB-CB 4.46Å; D71-D90 PolarHBondContact N-O 2.92Å; D71-D90 PolarHBondContact O-N 2.83Å; F73-D90 HydrophobicContact CE2-CB 4.32Å |
| 91 | T | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 143 | -177.6 | 76.4 | 0 | 0 | 0 | 0 | 111 | I40 L41 I42 K49 L70 R101 | I40-T91 HydrophobicContact CG2-CG2 3.53Å; L41-T91 WeakPolarHBondContact O-CB 3.37Å; L41-T91 WeakPolarHBondContact O-CG2 3.31Å; L41-T91 PolarHBondContact O-OG1 2.97Å; I42-T91 HydrophobicContact CG2-CG2 4.48Å; K49-T91 WeakPolarHBondContact CE-O 3.47Å; K49-T91 PolarHBondContact NZ-O 3.01Å; L70-T91 HydrophobicContact CD1-CG2 3.9Å; T91-R101 HydrophobicContact CG2-CG 3.99Å; T91-R101 WeakPolarHBondContact OG1-CD 3.24Å |
| 92 | G | 91.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | trans | -62.5 | 142.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S68 A69 K94 R101 | S68-G92 WeakPolarHBondContact O-CA 3.46Å; A69-G92 PolarHBondContact O-N 3.4Å; G92-K94 PolarHBondContact O-N 2.89Å; G92-R101 PolarHBondContact O-NH1 3.42Å | ||
| 93 | G | 87.8 | Confident | 93.3 | Very high | 16 Ų | 16 | 47.2 Ų | 47.2 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -87.6 | 19.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G43 K45 | G43-G93 VanDerWaalsContact O-CA 3.32Å; G43-G93 WeakPolarHBondContact O-CA 3.45Å; K45-G93 PolarHBondContact N-O 3.36Å |
| 94 | K | 89.8 | Confident | 93.1 | Very high | 86 Ų | 86 | 45.5 Ų | 45.5 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -112.4 | 147.4 | -171.7 | -95.8 | -168.9 | -176.4 | -168.5 | 0 | 109.7 | G92 E96 V97 R101 | G92-K94 PolarHBondContact O-N 2.89Å; K94-E96 VanDerWaalsContact C-N 3.28Å; K94-E96 WeakPolarHBondContact CB-OE2 3.3Å; K94-E96 PolarHBondContact O-N 2.85Å; K94-V97 HydrophobicContact CB-CG2 4.3Å; K94-V97 WeakPolarHBondContact O-CG2 3.41Å; K94-R101 PolarHBondContact O-NH1 3.28Å |
| 95 | E | 90.5 | Very high | 93 | Very high | 164 Ų | 164 | 45.5 Ų | 45.5 | 77% | 0.766 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -70.5 | -30.3 | -178.5 | -172.6 | 175.3 | -169.4 | 0 | 0 | 111.4 | V97 S98 | E95-V97 PolarHBondContact O-N 3Å; E95-S98 WeakPolarHBondContact O-CB 3.43Å; E95-S98 PolarHBondContact O-N 3.02Å; E95-S98 PolarHBondContact O-OG 2.86Å |
| 96 | E | 90.9 | Very high | 92.7 | Very high | 147 Ų | 147 | 45.5 Ų | 45.5 | 69% | 0.687 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -61.9 | -19.1 | -179.1 | -55.7 | 92.8 | 147.1 | 0 | 0 | 113.1 | K94 | K94-E96 VanDerWaalsContact C-N 3.28Å; K94-E96 WeakPolarHBondContact CB-OE2 3.3Å; K94-E96 PolarHBondContact O-N 2.85Å |
| 97 | V | 90.3 | Very high | 92.4 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 17% | 0.17 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -110 | 14.4 | 176.9 | -59 | 0 | 0 | 0 | 0 | 112.7 | A69 K94 E95 S99 L100 R101 | A69-V97 HydrophobicContact CB-CG1 4Å; K94-V97 HydrophobicContact CB-CG2 4.3Å; K94-V97 WeakPolarHBondContact O-CG2 3.41Å; E95-V97 PolarHBondContact O-N 3Å; V97-S99 VanDerWaalsContact C-N 3.32Å; V97-S99 PolarHBondContact O-N 2.86Å; V97-L100 PolarHBondContact O-N 2.96Å; V97-R101 PolarHBondContact O-N 2.98Å |
| 98 | S | 91 | Very high | 92.3 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.3 | -44.2 | 177.8 | 56.2 | 0 | 0 | 0 | 0 | 112 | E95 L100 R101 H102 | E95-S98 WeakPolarHBondContact O-CB 3.43Å; E95-S98 PolarHBondContact O-N 3.02Å; E95-S98 PolarHBondContact O-OG 2.86Å; S98-L100 PolarHBondContact O-N 2.94Å; S98-R101 CarbonylContact O-C 3.59Å; S98-R101 WeakPolarHBondContact O-CA 3.34Å; S98-R101 WeakPolarHBondContact O-CB 3.46Å; S98-R101 PolarHBondContact O-N 2.96Å; S98-H102 PolarHBondContact O-N 3.21Å; S98-H102 PolarHBondContact O-ND1 3.05Å |
| 99 | S | 90.5 | Very high | 92.2 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 62% | 0.615 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -59.2 | -43.3 | -178.7 | -54.7 | 0 | 0 | 0 | 0 | 112.8 | V97 R101 H102 L103 | V97-S99 VanDerWaalsContact C-N 3.32Å; V97-S99 PolarHBondContact O-N 2.86Å; S99-R101 VanDerWaalsContact C-N 3.3Å; S99-R101 PolarHBondContact O-N 2.98Å; S99-H102 PolarHBondContact O-N 2.94Å; S99-L103 WeakPolarHBondContact O-CG 3.47Å; S99-L103 PolarHBondContact O-N 2.84Å |
| 100 | L | 90.9 | Very high | 92.3 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 42% | 0.424 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64 | -38.1 | 175.3 | -66 | 176.3 | 0 | 0 | 0 | 111.6 | A69 L70 V97 S98 L103 S104 | A69-L100 HydrophobicContact CB-CD1 4.27Å; L70-L100 HydrophobicContact CB-CB 4.39Å; L70-L100 HydrophobicContact CD2-CB 4.43Å; V97-L100 PolarHBondContact O-N 2.96Å; S98-L100 PolarHBondContact O-N 2.94Å; L100-L103 PolarHBondContact O-N 3.15Å; L100-S104 PolarHBondContact O-N 3.4Å |
| 101 | R | 93.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.8 | -36.5 | 177.6 | -172.9 | 168 | 59.6 | -118.5 | -0.4 | 112.8 | I42 T91 G92 K94 V97 S98 S99 L103 S104 Y105 E133 | I42-R101 HydrophobicContact CG2-CG 4.47Å; T91-R101 HydrophobicContact CG2-CG 3.99Å; T91-R101 WeakPolarHBondContact OG1-CD 3.24Å; G92-R101 PolarHBondContact O-NH1 3.42Å; K94-R101 PolarHBondContact O-NH1 3.28Å; V97-R101 PolarHBondContact O-N 2.98Å; S98-R101 CarbonylContact O-C 3.59Å; S98-R101 WeakPolarHBondContact O-CA 3.34Å; S98-R101 WeakPolarHBondContact O-CB 3.46Å; S98-R101 PolarHBondContact O-N 2.96Å; S99-R101 VanDerWaalsContact C-N 3.3Å; S99-R101 PolarHBondContact O-N 2.98Å; R101-L103 VanDerWaalsContact C-N 3.3Å; R101-L103 PolarHBondContact O-N 3.23Å; R101-S104 PolarHBondContact O-N 3.3Å; R101-S104 VanDerWaalsContact O-N 3.12Å; R101-S104 PolarHBondContact O-OG 2.94Å; R101-Y105 HydrophobicContact CG-CE1 4.15Å; R101-Y105 HydrophobicContact CG-CE2 4.3Å; R101-Y105 PolarHBondContact O-N 3.41Å; R101-E133 IonicContact CZ-OE1 2.7Å; R101-E133 VanDerWaalsContact CZ-OE1 3.31Å; R101-E133 IonicContact CZ-OE2 2.85Å; R101-E133 IonicContact NE-OE1 3.91Å; R101-E133 PolarHBondContact NE-OE1 3.49Å; R101-E133 IonicContact NE-OE2 3.17Å; R101-E133 PolarHBondContact NE-OE2 3.19Å; R101-E133 VanDerWaalsContact NH2-CD 3.34Å; R101-E133 IonicContact NH2-OE1 2.75Å; R101-E133 PolarHBondContact NH2-OE1 2.86Å; R101-E133 VanDerWaalsContact NH2-OE1 3.11Å; R101-E133 IonicContact NH2-OE2 2.69Å; R101-E133 PolarHBondContact NH2-OE2 3.5Å |
| 102 | H | 91.8 | Very high | 92.5 | Very high | 51 Ų | 51 | 47.1 Ų | 47.1 | 24% | 0.236 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.1 | -37.4 | 174.7 | -74.5 | 70.9 | 0 | 0 | 0 | 111.9 | S98 S99 S104 Y105 E133 | S98-H102 PolarHBondContact O-N 3.21Å; S98-H102 PolarHBondContact O-ND1 3.05Å; S99-H102 PolarHBondContact O-N 2.94Å; H102-S104 VanDerWaalsContact C-N 3.31Å; H102-Y105 PolarHBondContact O-N 3.37Å; H102-E133 VanDerWaalsContact CE1-CG 3.46Å; H102-E133 WeakPolarHBondContact CE1-CG 3.31Å; H102-E133 IonicContact CE1-OE1 2.86Å; H102-E133 PolarHBondContact CE1-OE1 3.41Å; H102-E133 IonicContact ND1-OE1 2.79Å |
| 103 | L | 90 | Very high | 92.9 | Very high | 118 Ų | 118 | 47.2 Ų | 47.2 | 62% | 0.618 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66 | -35.1 | 173.7 | -65.2 | 173.7 | 0 | 0 | 0 | 111.8 | S99 L100 R101 Y105 L106 | S99-L103 WeakPolarHBondContact O-CG 3.47Å; S99-L103 PolarHBondContact O-N 2.84Å; L100-L103 PolarHBondContact O-N 3.15Å; R101-L103 VanDerWaalsContact C-N 3.3Å; R101-L103 PolarHBondContact O-N 3.23Å; L103-Y105 VanDerWaalsContact C-N 3.28Å; L103-Y105 PolarHBondContact O-N 3.26Å; L103-L106 PolarHBondContact O-N 3.24Å |
| 104 | S | 92.3 | Very high | 93.4 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.4 | -28.1 | 179.2 | 80.6 | 0 | 0 | 0 | 0 | 112.2 | K38 I40 L100 R101 H102 L106 | K38-S104 WeakPolarHBondContact CE-O 3.38Å; K38-S104 PolarHBondContact NZ-O 2.89Å; I40-S104 VanDerWaalsContact CD1-C 3.43Å; I40-S104 WeakPolarHBondContact CD1-O 3.35Å; L100-S104 PolarHBondContact O-N 3.4Å; R101-S104 PolarHBondContact O-N 3.3Å; R101-S104 VanDerWaalsContact O-N 3.12Å; R101-S104 PolarHBondContact O-OG 2.94Å; H102-S104 VanDerWaalsContact C-N 3.31Å; S104-L106 PolarHBondContact O-N 3.13Å |
| 105 | Y | 93.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -22.6 | 177.9 | -62.9 | -37.3 | 0 | 0 | 0 | 115.2 | I40 I42 R101 H102 L103 D107 A108 I111 E133 L134 A137 | I40-Y105 HydrophobicContact CD1-CD1 3.95Å; I40-Y105 HydrophobicContact CG2-CD1 4.39Å; I40-Y105 HydrophobicContact CG2-CE1 4.28Å; I42-Y105 HydrophobicContact CD1-CE1 4.48Å; I42-Y105 HydrophobicContact CG2-CE1 3.71Å; R101-Y105 HydrophobicContact CG-CE1 4.15Å; R101-Y105 HydrophobicContact CG-CE2 4.3Å; R101-Y105 PolarHBondContact O-N 3.41Å; H102-Y105 PolarHBondContact O-N 3.37Å; L103-Y105 VanDerWaalsContact C-N 3.28Å; L103-Y105 PolarHBondContact O-N 3.26Å; Y105-D107 PolarHBondContact O-N 3.11Å; Y105-A108 VanDerWaalsContact O-CB 3.26Å; Y105-A108 WeakPolarHBondContact O-CB 3.5Å; Y105-A108 PolarHBondContact O-N 3.19Å; Y105-I111 HydrophobicContact CD1-CD1 4.26Å; Y105-I111 HydrophobicContact CE1-CD1 4.49Å; Y105-E133 HydrophobicContact CE2-CG 4.36Å; Y105-E133 PolarHBondContact OH-OE1 3.48Å; Y105-L134 HydrophobicContact CD1-CD2 4.29Å; Y105-L134 HydrophobicContact CE1-CD2 3.81Å; Y105-L134 HydrophobicContact CE2-CD2 4.07Å; Y105-A137 HydrophobicContact CD2-CB 3.54Å; Y105-A137 HydrophobicContact CE2-CB 4.03Å; Y105-A137 HydrophobicContact CG-CB 4.48Å |
| 106 | L | 90.5 | Very high | 94.2 | Very high | 65 Ų | 65 | 34.8 Ų | 34.8 | 34% | 0.34 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 131.2 | 175 | -62 | 176 | 0 | 0 | 0 | 110 | K38 L103 S104 A108 P138 | K38-L106 PolarHBondContact NZ-O 2.82Å; L103-L106 PolarHBondContact O-N 3.24Å; S104-L106 PolarHBondContact O-N 3.13Å; L106-A108 PolarHBondContact O-N 2.79Å; L106-A108 VanDerWaalsContact O-N 3.16Å; L106-P138 HydrophobicContact CD2-CB 4.26Å; L106-P138 HydrophobicContact CD2-CG 3.73Å |
| 107 | D | 90 | Very high | 94.6 | Very high | 81 Ų | 81 | 27.8 Ų | 27.8 | 43% | 0.433 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 22.2 | -179 | -55.1 | -46.6 | 0 | 0 | 0 | 114.9 | Y105 H109 L274 | Y105-D107 PolarHBondContact O-N 3.11Å; D107-H109 PolarHBondContact O-CE1 3.44Å; D107-H109 PolarHBondContact O-N 2.72Å; D107-H109 PolarHBondContact O-ND1 2.86Å; D107-H109 VanDerWaalsContact O-ND1 3.09Å; D107-L274 VanDerWaalsContact OD1-CD1 3.25Å; D107-L274 WeakPolarHBondContact OD1-CD1 3.29Å; D107-L274 WeakPolarHBondContact OD1-CD2 3.48Å; D107-L274 WeakPolarHBondContact OD1-CG 3.42Å |
| 108 | A | 95.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | trans | -62.3 | 124.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I40 Y105 L106 I111 P195 P272 | I40-A108 HydrophobicContact CD1-CB 3.44Å; I40-A108 VanDerWaalsContact CD1-CB 3.44Å; I40-A108 HydrophobicContact CG1-CB 4.2Å; Y105-A108 VanDerWaalsContact O-CB 3.26Å; Y105-A108 WeakPolarHBondContact O-CB 3.5Å; Y105-A108 PolarHBondContact O-N 3.19Å; L106-A108 PolarHBondContact O-N 2.79Å; L106-A108 VanDerWaalsContact O-N 3.16Å; A108-I111 HydrophobicContact CB-CG1 4.33Å; A108-P195 HydrophobicContact CB-CB 4.03Å; A108-P195 HydrophobicContact CB-CG 4.3Å; A108-P195 WeakPolarHBondContact O-CB 3.32Å; A108-P272 WeakPolarHBondContact O-CB 3.11Å; A108-P272 WeakPolarHBondContact O-CG 3.15Å | ||
| 109 | H | 97 | Very high | 95.3 | Very high | 22 Ų | 22 | 27.8 Ų | 27.8 | 10% | 0.102 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -87.4 | -36.5 | 172.4 | -60.8 | 70.5 | 0 | 0 | 0 | 110.4 | V37 K38 D107 P195 I196 V266 | V37-H109 HydrophobicContact CG1-CB 4.37Å; K38-H109 PolarHBondContact N-ND1 3.35Å; K38-H109 VanDerWaalsContact N-ND1 3.14Å; K38-H109 WeakPolarHBondContact O-CB 3.3Å; K38-H109 PolarHBondContact O-N 3.02Å; D107-H109 PolarHBondContact O-CE1 3.44Å; D107-H109 PolarHBondContact O-N 2.72Å; D107-H109 PolarHBondContact O-ND1 2.86Å; D107-H109 VanDerWaalsContact O-ND1 3.09Å; H109-P195 WeakPolarHBondContact O-CA 3.37Å; H109-I196 PolarHBondContact O-N 3.17Å; H109-V266 HydrophobicContact CB-CB 4.37Å; H109-V266 HydrophobicContact CB-CG1 4.4Å |
| 110 | V | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 138.4 | -177.9 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | K38 C39 I40 I196 L198 A259 C262 | K38-V110 PolarHBondContact O-N 3.4Å; C39-V110 CarbonylContact C-O 3.57Å; C39-V110 VanDerWaalsContact CA-O 3.3Å; C39-V110 WeakPolarHBondContact CA-O 3.44Å; C39-V110 HydrophobicContact CB-CB 4.12Å; I40-V110 PolarHBondContact N-O 2.71Å; V110-I196 CarbonylContact C-O 3.52Å; V110-I196 VanDerWaalsContact CA-O 3.31Å; V110-I196 WeakPolarHBondContact CA-O 3.19Å; V110-I196 WeakPolarHBondContact CG1-O 3.36Å; V110-L198 HydrophobicContact CG1-CD1 3.81Å; V110-L198 HydrophobicContact CG1-CG 4.08Å; V110-A259 HydrophobicContact CG1-CB 4.31Å; V110-A259 WeakPolarHBondContact CG2-O 3.45Å; V110-C262 HydrophobicContact CG2-CB 3.74Å |
| 111 | I | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.8 | 169.9 | -65.1 | 179.8 | 0 | 0 | 0 | 108.8 | I40 I42 Y105 A108 L113 L134 I139 P195 I196 F197 L198 | I40-I111 WeakPolarHBondContact O-CA 3.35Å; I42-I111 HydrophobicContact CD1-CG2 3.71Å; I42-I111 HydrophobicContact CG1-CG2 3.88Å; Y105-I111 HydrophobicContact CD1-CD1 4.26Å; Y105-I111 HydrophobicContact CE1-CD1 4.49Å; A108-I111 HydrophobicContact CB-CG1 4.33Å; I111-L113 HydrophobicContact CG2-CD2 4.24Å; I111-L113 HydrophobicContact CG2-CG 4.35Å; I111-L134 HydrophobicContact CD1-CD2 3.66Å; I111-I139 HydrophobicContact CD1-CD1 3.97Å; I111-P195 HydrophobicContact CD1-CB 4.01Å; I111-P195 HydrophobicContact CD1-CG 3.58Å; I111-P195 HydrophobicContact CG1-CB 3.8Å; I111-P195 HydrophobicContact CG1-CG 3.98Å; I111-I196 PolarHBondContact N-O 3.11Å; I111-F197 HydrophobicContact CB-CD1 3.93Å; I111-F197 HydrophobicContact CB-CE1 4.12Å; I111-F197 HydrophobicContact CD1-CE1 4Å; I111-F197 HydrophobicContact CG1-CE1 4.46Å; I111-F197 WeakPolarHBondContact O-CA 3.22Å; I111-L198 PolarHBondContact O-N 3.44Å |
| 112 | L | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 106.2 | 173.8 | -67.9 | 156.2 | 0 | 0 | 0 | 107.8 | C39 I40 L41 I42 C114 L198 I200 V255 | C39-L112 HydrophobicContact CB-CD1 4.36Å; I40-L112 PolarHBondContact O-N 3.25Å; L41-L112 HydrophobicContact CD1-CD1 3.64Å; L41-L112 HydrophobicContact CG-CB 4.04Å; L41-L112 HydrophobicContact CG-CD1 3.71Å; I42-L112 PolarHBondContact N-O 3.3Å; L112-C114 PolarHBondContact O-N 2.91Å; L112-L198 HydrophobicContact CD2-CB 3.87Å; L112-L198 HydrophobicContact CD2-CD1 3.93Å; L112-I200 HydrophobicContact CB-CG1 4.23Å; L112-I200 HydrophobicContact CD2-CD1 3.68Å; L112-I200 HydrophobicContact CD2-CG1 3.61Å; L112-V255 HydrophobicContact CD2-CG1 3.84Å |
| 113 | L | 98.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 96.8 | 176 | -68 | 169.5 | 0 | 0 | 0 | 108.9 | I42 I111 L126 L134 F197 L198 L199 I200 L236 | I42-L113 HydrophobicContact CD1-CD2 3.66Å; I42-L113 HydrophobicContact CG1-CD2 3.78Å; I111-L113 HydrophobicContact CG2-CD2 4.24Å; I111-L113 HydrophobicContact CG2-CG 4.35Å; L113-L126 HydrophobicContact CB-CD2 4.2Å; L113-L134 HydrophobicContact CD2-CD1 4.07Å; L113-F197 HydrophobicContact CD1-CB 4.2Å; L113-F197 HydrophobicContact CD1-CD2 3.9Å; L113-F197 HydrophobicContact CD1-CG 4.14Å; L113-L198 PolarHBondContact N-O 3.43Å; L113-L199 HydrophobicContact CB-CD1 3.98Å; L113-I200 PolarHBondContact O-N 3.24Å; L113-L236 HydrophobicContact CD1-CD1 3.89Å |
| 114 | C | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 133.6 | -174.6 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | I42 G43 V47 K49 L112 I200 | I42-C114 WeakPolarHBondContact O-CB 3.43Å; I42-C114 PolarHBondContact O-N 2.92Å; G43-C114 WeakPolarHBondContact CA-O 3.48Å; V47-C114 HydrophobicContact CG2-CB 3.87Å; K49-C114 HydrophobicContact CD-CB 4.24Å; K49-C114 HydrophobicContact CG-CB 3.87Å; L112-C114 PolarHBondContact O-N 2.91Å; C114-I200 WeakPolarHBondContact CA-O 3.12Å |
| 115 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 163.9 | 166.1 | 71.6 | -80.1 | 0 | 0 | 0 | 109.6 | V117 F123 L126 L199 I200 C202 I224 A229 Y241 | F115-V117 HydrophobicContact CE2-CG1 4.07Å; F115-V117 HydrophobicContact CZ-CG1 4.44Å; F115-F123 HydrophobicContact CD1-CD2 4.14Å; F115-F123 HydrophobicContact CD2-CB 3.89Å; F115-F123 AromaticContact CD2-CD2 3.73Å; F115-F123 HydrophobicContact CD2-CD2 3.73Å; F115-F123 HydrophobicContact CD2-CG 4.29Å; F115-F123 HydrophobicContact CE1-CD2 4.04Å; F115-F123 HydrophobicContact CE1-CE2 4.35Å; F115-F123 HydrophobicContact CE2-CB 4.42Å; F115-F123 AromaticContact CE2-CD2 3.65Å; F115-F123 HydrophobicContact CE2-CD2 3.65Å; F115-F123 HydrophobicContact CE2-CE2 4.38Å; F115-F123 HydrophobicContact CE2-CG 4.42Å; F115-F123 HydrophobicContact CG-CB 4.33Å; F115-F123 AromaticContact CG-CD2 3.97Å; F115-F123 HydrophobicContact CG-CD2 3.97Å; F115-F123 AromaticContact CZ-CD2 3.8Å; F115-F123 HydrophobicContact CZ-CD2 3.8Å; F115-F123 HydrophobicContact CZ-CE2 4.14Å; F115-L126 HydrophobicContact CB-CD1 3.96Å; F115-L126 HydrophobicContact CB-CG 4.31Å; F115-L126 HydrophobicContact CD1-CD1 3.76Å; F115-L126 HydrophobicContact CG-CD1 4.12Å; F115-L199 HydrophobicContact CD1-CD1 4.1Å; F115-L199 HydrophobicContact CD1-CG 4.42Å; F115-L199 HydrophobicContact CE1-CD1 4.15Å; F115-L199 HydrophobicContact CE1-CD2 4.21Å; F115-L199 HydrophobicContact CE1-CG 3.99Å; F115-I200 VanDerWaalsContact CD1-O 3.25Å; F115-I200 WeakPolarHBondContact CD1-O 3.46Å; F115-I200 PolarHBondContact N-O 3.47Å; F115-C202 WeakPolarHBondContact O-CB 3.4Å; F115-C202 PolarHBondContact O-N 3.3Å; F115-I224 HydrophobicContact CE2-CB 4.02Å; F115-I224 HydrophobicContact CE2-CG1 4.17Å; F115-I224 HydrophobicContact CE2-CG2 3.88Å; F115-I224 HydrophobicContact CZ-CG2 4.32Å; F115-A229 HydrophobicContact CE1-CB 4.4Å; F115-A229 HydrophobicContact CZ-CB 3.8Å; F115-Y241 AromaticContact CE1-CE2 3.73Å; F115-Y241 HydrophobicContact CE1-CE2 3.73Å; F115-Y241 AromaticContact CZ-CE2 3.81Å; F115-Y241 HydrophobicContact CZ-CE2 3.81Å |
| 116 | S | 98.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 23 Ų | 23 | 4% | 0.035 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.7 | 172 | 167.4 | 0 | 0 | 0 | 0 | 110.1 | V118 R119 T122 C202 | S116-V118 PolarHBondContact O-N 3.21Å; S116-V118 WeakPolarHBondContact OG-CG2 3.42Å; S116-R119 PolarHBondContact O-N 3.43Å; S116-T122 PolarHBondContact N-OG1 2.9Å; S116-C202 WeakPolarHBondContact CA-O 3.38Å |
| 117 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20.6 | -177.8 | -54.3 | 0 | 0 | 0 | 0 | 113 | F115 C202 C204 P223 I224 E243 | F115-V117 HydrophobicContact CE2-CG1 4.07Å; F115-V117 HydrophobicContact CZ-CG1 4.44Å; V117-C202 PolarHBondContact N-O 3.06Å; V117-C204 HydrophobicContact CG2-CB 4.27Å; V117-P223 CarbonylContact O-C 3.6Å; V117-P223 VanDerWaalsContact O-CA 3.24Å; V117-P223 WeakPolarHBondContact O-CA 3.34Å; V117-I224 PolarHBondContact O-N 3.33Å; V117-E243 HydrophobicContact CG1-CG 4.24Å |
| 118 | V | 98 | Very high | 98.1 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.03 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 13 | 176.4 | -63.6 | 0 | 0 | 0 | 0 | 113 | S116 L206 P223 | S116-V118 PolarHBondContact O-N 3.21Å; S116-V118 WeakPolarHBondContact OG-CG2 3.42Å; V118-L206 HydrophobicContact CG1-CB 3.84Å; V118-L206 WeakPolarHBondContact CG1-O 3.38Å; V118-L206 HydrophobicContact CG2-CB 4.03Å; V118-L206 HydrophobicContact CG2-CD1 4.19Å; V118-P223 HydrophobicContact CG1-CB 4.46Å; V118-P223 HydrophobicContact CG1-CG 4.48Å |
| 119 | R | 98 | Very high | 98.1 | Very high | 53 Ų | 53 | 25.8 Ų | 25.8 | 20% | 0.2 | 13% | 0.127 | C | C | . | . | trans | -133.7 | 83.7 | 177.4 | -72 | -173 | 55.7 | -160.7 | -10.7 | 110.9 | K45 Q46 S116 D121 T122 | K45-R119 PolarHBondContact O-NH1 3.38Å; Q46-R119 PolarHBondContact O-NH1 3.26Å; S116-R119 PolarHBondContact O-N 3.43Å; R119-D121 WeakPolarHBondContact CA-OD1 3.04Å; R119-D121 WeakPolarHBondContact CB-OD1 3.48Å; R119-D121 IonicContact CZ-OD2 3.79Å; R119-D121 IonicContact NE-OD1 3.65Å; R119-D121 IonicContact NE-OD2 3.73Å; R119-D121 IonicContact NH2-OD2 3.71Å; R119-D121 PolarHBondContact NH2-OD2 3.24Å; R119-D121 PolarHBondContact O-N 2.73Å; R119-T122 HydrophobicContact CB-CG2 3.82Å; R119-T122 PolarHBondContact O-N 3.33Å; R119-T122 PolarHBondContact O-OG1 3.41Å | ||
| 120 | P | 98.2 | Very high | 98.2 | Very high | 4 Ų | 4 | 25 Ų | 25 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.5 | -25.6 | -174.7 | -27 | 37.9 | 0 | 0 | 0 | 115.1 | T122 F123 R124 L216 E221 E222 I224 | P120-T122 VanDerWaalsContact C-N 3.3Å; P120-T122 PolarHBondContact O-N 3.42Å; P120-F123 PolarHBondContact O-N 2.83Å; P120-R124 VanDerWaalsContact C-NH1 3.31Å; P120-R124 WeakPolarHBondContact O-CG 3.44Å; P120-R124 PolarHBondContact O-N 3.29Å; P120-R124 PolarHBondContact O-NH1 3.18Å; P120-L216 HydrophobicContact CG-CD2 4.16Å; P120-E221 WeakPolarHBondContact CB-OE2 3.33Å; P120-E221 WeakPolarHBondContact CD-OE2 3.22Å; P120-E221 HydrophobicContact CG-CB 4.28Å; P120-E221 WeakPolarHBondContact CG-OE2 3.42Å; P120-E222 WeakPolarHBondContact CG-O 3.39Å; P120-I224 HydrophobicContact CB-CD1 3.62Å; P120-I224 HydrophobicContact CB-CG1 4.34Å; P120-I224 HydrophobicContact CG-CD1 4.02Å; P120-I224 HydrophobicContact CG-CG1 4.4Å |
| 121 | D | 98.1 | Very high | 98.1 | Very high | 65 Ų | 65 | 25.2 Ų | 25.2 | 35% | 0.348 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -51.7 | -49.3 | 168 | 58.8 | -52.9 | 0 | 0 | 0 | 111.2 | R119 F123 R124 S125 | R119-D121 WeakPolarHBondContact CA-OD1 3.04Å; R119-D121 WeakPolarHBondContact CB-OD1 3.48Å; R119-D121 IonicContact CZ-OD2 3.79Å; R119-D121 IonicContact NE-OD1 3.65Å; R119-D121 IonicContact NE-OD2 3.73Å; R119-D121 IonicContact NH2-OD2 3.71Å; R119-D121 PolarHBondContact NH2-OD2 3.24Å; R119-D121 PolarHBondContact O-N 2.73Å; D121-F123 VanDerWaalsContact C-N 3.27Å; D121-F123 PolarHBondContact O-N 2.73Å; D121-R124 PolarHBondContact O-N 3.16Å; D121-R124 VanDerWaalsContact O-N 3.09Å; D121-S125 PolarHBondContact O-N 3.35Å; D121-S125 PolarHBondContact O-OG 3.29Å; D121-S125 VanDerWaalsContact O-OG 3.12Å |
| 122 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.1 | -28.8 | -175.9 | 69.5 | 0 | 0 | 0 | 0 | 113 | D44 V47 S116 R119 P120 L126 | D44-T122 HydrophobicContact CB-CG2 3.69Å; V47-T122 HydrophobicContact CG1-CG2 3.69Å; S116-T122 PolarHBondContact N-OG1 2.9Å; R119-T122 HydrophobicContact CB-CG2 3.82Å; R119-T122 PolarHBondContact O-N 3.33Å; R119-T122 PolarHBondContact O-OG1 3.41Å; P120-T122 VanDerWaalsContact C-N 3.3Å; P120-T122 PolarHBondContact O-N 3.42Å; T122-L126 PolarHBondContact O-N 2.71Å |
| 123 | F | 98.8 | Very high | 97.9 | Very high | 29 Ų | 29 | 31.6 Ų | 31.6 | 13% | 0.127 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.5 | -41.7 | 173.6 | -179.4 | -101.9 | 0 | 0 | 0 | 111.6 | F115 P120 D121 S125 L126 I224 K228 A229 L232 | F115-F123 HydrophobicContact CD1-CD2 4.14Å; F115-F123 HydrophobicContact CD2-CB 3.89Å; F115-F123 AromaticContact CD2-CD2 3.73Å; F115-F123 HydrophobicContact CD2-CD2 3.73Å; F115-F123 HydrophobicContact CD2-CG 4.29Å; F115-F123 HydrophobicContact CE1-CD2 4.04Å; F115-F123 HydrophobicContact CE1-CE2 4.35Å; F115-F123 HydrophobicContact CE2-CB 4.42Å; F115-F123 AromaticContact CE2-CD2 3.65Å; F115-F123 HydrophobicContact CE2-CD2 3.65Å; F115-F123 HydrophobicContact CE2-CE2 4.38Å; F115-F123 HydrophobicContact CE2-CG 4.42Å; F115-F123 HydrophobicContact CG-CB 4.33Å; F115-F123 AromaticContact CG-CD2 3.97Å; F115-F123 HydrophobicContact CG-CD2 3.97Å; F115-F123 AromaticContact CZ-CD2 3.8Å; F115-F123 HydrophobicContact CZ-CD2 3.8Å; F115-F123 HydrophobicContact CZ-CE2 4.14Å; P120-F123 PolarHBondContact O-N 2.83Å; D121-F123 VanDerWaalsContact C-N 3.27Å; D121-F123 PolarHBondContact O-N 2.73Å; F123-S125 VanDerWaalsContact C-N 3.34Å; F123-L126 HydrophobicContact CD2-CD1 4.39Å; F123-L126 WeakPolarHBondContact O-CB 3.4Å; F123-L126 PolarHBondContact O-N 2.87Å; F123-I224 HydrophobicContact CB-CD1 3.83Å; F123-I224 HydrophobicContact CB-CG1 3.82Å; F123-I224 HydrophobicContact CD1-CD1 3.89Å; F123-I224 HydrophobicContact CD1-CG1 4.49Å; F123-I224 HydrophobicContact CD1-CG2 4.48Å; F123-I224 HydrophobicContact CD2-CG1 4.48Å; F123-I224 HydrophobicContact CD2-CG2 3.98Å; F123-I224 HydrophobicContact CE2-CG2 4.09Å; F123-I224 HydrophobicContact CG-CD1 3.91Å; F123-I224 HydrophobicContact CG-CG1 4.03Å; F123-I224 HydrophobicContact CG-CG2 4.17Å; F123-I224 HydrophobicContact CZ-CG2 4.38Å; F123-K228 WeakPolarHBondContact CZ-O 3.44Å; F123-A229 HydrophobicContact CE2-CB 3.92Å; F123-A229 HydrophobicContact CZ-CB 4.5Å; F123-L232 HydrophobicContact CD2-CD2 3.94Å; F123-L232 HydrophobicContact CE1-CD2 4.16Å; F123-L232 HydrophobicContact CE2-CB 3.99Å; F123-L232 HydrophobicContact CE2-CD2 3.37Å; F123-L232 HydrophobicContact CE2-CG 4.29Å; F123-L232 HydrophobicContact CZ-CB 3.64Å; F123-L232 HydrophobicContact CZ-CD2 3.5Å; F123-L232 VanDerWaalsContact CZ-CD2 3.5Å; F123-L232 HydrophobicContact CZ-CG 4.18Å |
| 124 | R | 98.1 | Very high | 97.7 | Very high | 130 Ų | 130 | 31.5 Ų | 31.5 | 49% | 0.491 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.8 | -35.2 | 175.3 | -62.4 | 176 | -168.6 | 108 | -9.1 | 111.7 | P120 D121 L126 K127 T128 E221 | P120-R124 VanDerWaalsContact C-NH1 3.31Å; P120-R124 WeakPolarHBondContact O-CG 3.44Å; P120-R124 PolarHBondContact O-N 3.29Å; P120-R124 PolarHBondContact O-NH1 3.18Å; D121-R124 PolarHBondContact O-N 3.16Å; D121-R124 VanDerWaalsContact O-N 3.09Å; R124-L126 PolarHBondContact O-N 3.27Å; R124-K127 PolarHBondContact O-N 2.94Å; R124-T128 PolarHBondContact O-N 2.87Å; R124-T128 PolarHBondContact O-OG1 3.48Å; R124-E221 IonicContact CZ-OE1 3.57Å; R124-E221 IonicContact NH1-OE1 3.69Å; R124-E221 PolarHBondContact NH1-OE1 2.7Å; R124-E221 IonicContact NH1-OE2 3.44Å; R124-E221 IonicContact NH2-OE1 2.66Å; R124-E221 PolarHBondContact NH2-OE1 2.75Å |
| 125 | S | 98.3 | Very high | 97.5 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 13% | 0.133 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.7 | -29.6 | 175.7 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | D44 D121 F123 K127 T128 V129 W130 | D44-S125 WeakPolarHBondContact OD1-CB 3.2Å; D44-S125 PolarHBondContact OD1-OG 3.5Å; D44-S125 WeakPolarHBondContact OD2-CB 3.31Å; D44-S125 PolarHBondContact OD2-OG 3.09Å; D121-S125 PolarHBondContact O-N 3.35Å; D121-S125 PolarHBondContact O-OG 3.29Å; D121-S125 VanDerWaalsContact O-OG 3.12Å; F123-S125 VanDerWaalsContact C-N 3.34Å; S125-K127 VanDerWaalsContact C-N 3.28Å; S125-K127 PolarHBondContact O-N 2.94Å; S125-T128 WeakPolarHBondContact CA-OG1 3.15Å; S125-T128 PolarHBondContact O-N 3.14Å; S125-V129 WeakPolarHBondContact O-CA 3.5Å; S125-V129 WeakPolarHBondContact O-CB 3.14Å; S125-V129 PolarHBondContact O-N 2.92Å; S125-W130 PolarHBondContact O-N 3.21Å |
| 126 | L | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -55.6 | -43.1 | 177.7 | -67.6 | 178.2 | 0 | 0 | 0 | 112.5 | L113 F115 T122 F123 R124 W130 L131 L199 L232 | L113-L126 HydrophobicContact CB-CD2 4.2Å; F115-L126 HydrophobicContact CB-CD1 3.96Å; F115-L126 HydrophobicContact CB-CG 4.31Å; F115-L126 HydrophobicContact CD1-CD1 3.76Å; F115-L126 HydrophobicContact CG-CD1 4.12Å; T122-L126 PolarHBondContact O-N 2.71Å; F123-L126 HydrophobicContact CD2-CD1 4.39Å; F123-L126 WeakPolarHBondContact O-CB 3.4Å; F123-L126 PolarHBondContact O-N 2.87Å; R124-L126 PolarHBondContact O-N 3.27Å; L126-W130 HydrophobicContact CD2-CG 4.46Å; L126-L131 WeakPolarHBondContact O-CB 3.2Å; L126-L131 PolarHBondContact O-N 3.14Å; L126-L199 HydrophobicContact CD1-CD1 3.41Å; L126-L199 VanDerWaalsContact CD1-CD1 3.41Å; L126-L232 HydrophobicContact CB-CD2 4.17Å; L126-L232 HydrophobicContact CD1-CD2 3.81Å |
| 127 | K | 97 | Very high | 96.8 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 25% | 0.248 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -81.3 | -41.1 | 177 | -70.3 | -156.9 | -75 | -165.8 | 0 | 112.9 | R124 S125 T148 L152 F153 L232 E235 L236 | R124-K127 PolarHBondContact O-N 2.94Å; S125-K127 VanDerWaalsContact C-N 3.28Å; S125-K127 PolarHBondContact O-N 2.94Å; K127-T148 HydrophobicContact CD-CG2 4.33Å; K127-L152 HydrophobicContact CB-CD1 3.96Å; K127-L152 HydrophobicContact CD-CD1 4.31Å; K127-F153 WeakPolarHBondContact O-CZ 3.45Å; K127-L232 HydrophobicContact CD-CD1 3.4Å; K127-L232 HydrophobicContact CG-CD1 3.43Å; K127-L232 VanDerWaalsContact CG-CD1 3.43Å; K127-E235 WeakPolarHBondContact CD-OE1 3.5Å; K127-E235 IonicContact NZ-OE1 2.71Å; K127-E235 PolarHBondContact NZ-OE1 3.4Å; K127-E235 IonicContact NZ-OE2 3.21Å; K127-E235 PolarHBondContact NZ-OE2 3.2Å; K127-L236 HydrophobicContact CG-CD2 4.44Å |
| 128 | T | 96.3 | Very high | 96.3 | Very high | 79 Ų | 79 | 39.3 Ų | 39.3 | 49% | 0.485 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -86.8 | -28.7 | -167.5 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | R124 S125 | R124-T128 PolarHBondContact O-N 2.87Å; R124-T128 PolarHBondContact O-OG1 3.48Å; S125-T128 WeakPolarHBondContact CA-OG1 3.15Å; S125-T128 PolarHBondContact O-N 3.14Å |
| 129 | V | 97.1 | Very high | 96 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 42% | 0.424 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -112.9 | -59.9 | -177.7 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | S125 K132 E133 | S125-V129 WeakPolarHBondContact O-CA 3.5Å; S125-V129 WeakPolarHBondContact O-CB 3.14Å; S125-V129 PolarHBondContact O-N 2.92Å; V129-K132 WeakPolarHBondContact O-CB 3.41Å; V129-K132 PolarHBondContact O-N 3.22Å; V129-E133 PolarHBondContact O-N 3.41Å |
| 130 | W | 97.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -71.2 | -42.9 | -169.5 | -61.4 | 102.7 | 0 | 0 | 0 | 113.1 | I42 G43 D44 S125 L126 K132 E133 L134 | I42-W130 HydrophobicContact CB-CE3 3.89Å; I42-W130 HydrophobicContact CB-CZ3 4.07Å; I42-W130 HydrophobicContact CD1-CB 4.39Å; I42-W130 HydrophobicContact CD1-CE3 4.09Å; I42-W130 HydrophobicContact CG1-CE3 4.2Å; G43-W130 WeakPolarHBondContact O-CH2 3.33Å; G43-W130 WeakPolarHBondContact O-CZ2 3.31Å; D44-W130 PolarHBondContact OD1-NE1 3.44Å; S125-W130 PolarHBondContact O-N 3.21Å; L126-W130 HydrophobicContact CD2-CG 4.46Å; W130-K132 VanDerWaalsContact C-N 3.28Å; W130-K132 PolarHBondContact O-N 3.36Å; W130-E133 PolarHBondContact O-N 2.86Å; W130-L134 WeakPolarHBondContact O-CB 3.48Å; W130-L134 VanDerWaalsContact O-CG 3.29Å; W130-L134 WeakPolarHBondContact O-CG 3.29Å; W130-L134 PolarHBondContact O-N 2.85Å |
| 131 | L | 97.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -35.9 | 173.5 | -178.3 | 64.1 | 0 | 0 | 0 | 111.8 | L126 L134 A135 L141 A145 T148 A149 L152 F153 L236 | L126-L131 WeakPolarHBondContact O-CB 3.2Å; L126-L131 PolarHBondContact O-N 3.14Å; L131-L134 PolarHBondContact O-N 3.45Å; L131-A135 VanDerWaalsContact O-CB 3.28Å; L131-A135 WeakPolarHBondContact O-CB 3.32Å; L131-A135 PolarHBondContact O-N 3.35Å; L131-L141 HydrophobicContact CD1-CD1 4.33Å; L131-A145 HydrophobicContact CD1-CB 3.97Å; L131-T148 HydrophobicContact CD2-CG2 3.62Å; L131-A149 HydrophobicContact CD1-CB 4.44Å; L131-A149 HydrophobicContact CD2-CB 4.13Å; L131-A149 HydrophobicContact CG-CB 4.09Å; L131-L152 HydrophobicContact CD2-CD1 4.45Å; L131-F153 HydrophobicContact CG-CE2 4.5Å; L131-L236 HydrophobicContact CD1-CD2 4.34Å; L131-L236 HydrophobicContact CD2-CD2 3.79Å |
| 132 | K | 96 | Very high | 95.3 | Very high | 110 Ų | 110 | 38.8 Ų | 38.8 | 48% | 0.478 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 175.4 | -167.1 | -178 | 174.5 | -175.3 | 0 | 111.4 | V129 W130 A135 S136 F153 | V129-K132 WeakPolarHBondContact O-CB 3.41Å; V129-K132 PolarHBondContact O-N 3.22Å; W130-K132 VanDerWaalsContact C-N 3.28Å; W130-K132 PolarHBondContact O-N 3.36Å; K132-A135 PolarHBondContact O-N 3.03Å; K132-S136 PolarHBondContact O-N 2.68Å; K132-S136 VanDerWaalsContact O-N 3.15Å; K132-S136 PolarHBondContact O-OG 3.47Å; K132-F153 HydrophobicContact CB-CD2 4.31Å; K132-F153 HydrophobicContact CB-CE1 4.07Å; K132-F153 HydrophobicContact CB-CE2 3.63Å; K132-F153 HydrophobicContact CB-CZ 3.48Å; K132-F153 VanDerWaalsContact CB-CZ 3.48Å; K132-F153 HydrophobicContact CD-CD1 4.36Å; K132-F153 HydrophobicContact CD-CE1 4.13Å; K132-F153 HydrophobicContact CD-CZ 4.4Å; K132-F153 HydrophobicContact CG-CD1 4.37Å; K132-F153 HydrophobicContact CG-CD2 4.28Å; K132-F153 HydrophobicContact CG-CE1 4.17Å; K132-F153 HydrophobicContact CG-CE2 4.08Å; K132-F153 HydrophobicContact CG-CG 4.43Å; K132-F153 HydrophobicContact CG-CZ 4.01Å |
| 133 | E | 95.5 | Very high | 95 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -49.8 | 176.3 | -173.2 | 173.9 | 150.9 | 0 | 0 | 110.7 | R101 H102 Y105 V129 W130 A135 S136 A137 | R101-E133 IonicContact CZ-OE1 2.7Å; R101-E133 VanDerWaalsContact CZ-OE1 3.31Å; R101-E133 IonicContact CZ-OE2 2.85Å; R101-E133 IonicContact NE-OE1 3.91Å; R101-E133 PolarHBondContact NE-OE1 3.49Å; R101-E133 IonicContact NE-OE2 3.17Å; R101-E133 PolarHBondContact NE-OE2 3.19Å; R101-E133 VanDerWaalsContact NH2-CD 3.34Å; R101-E133 IonicContact NH2-OE1 2.75Å; R101-E133 PolarHBondContact NH2-OE1 2.86Å; R101-E133 VanDerWaalsContact NH2-OE1 3.11Å; R101-E133 IonicContact NH2-OE2 2.69Å; R101-E133 PolarHBondContact NH2-OE2 3.5Å; H102-E133 VanDerWaalsContact CE1-CG 3.46Å; H102-E133 WeakPolarHBondContact CE1-CG 3.31Å; H102-E133 IonicContact CE1-OE1 2.86Å; H102-E133 PolarHBondContact CE1-OE1 3.41Å; H102-E133 IonicContact ND1-OE1 2.79Å; Y105-E133 HydrophobicContact CE2-CG 4.36Å; Y105-E133 PolarHBondContact OH-OE1 3.48Å; V129-E133 PolarHBondContact O-N 3.41Å; W130-E133 PolarHBondContact O-N 2.86Å; E133-A135 VanDerWaalsContact C-N 3.31Å; E133-A135 PolarHBondContact O-N 3.12Å; E133-S136 CarbonylContact O-C 3.56Å; E133-S136 WeakPolarHBondContact O-CA 3.45Å; E133-S136 WeakPolarHBondContact O-CB 3.5Å; E133-S136 PolarHBondContact O-N 3.13Å; E133-A137 PolarHBondContact O-N 3.44Å |
| 134 | L | 95.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -37.6 | 177.5 | -69.3 | 176.8 | 0 | 0 | 0 | 112.9 | I42 Y105 I111 L113 W130 L131 S136 A137 I139 L141 F197 | I42-L134 HydrophobicContact CD1-CD1 3.78Å; I42-L134 HydrophobicContact CD1-CD2 3.86Å; I42-L134 HydrophobicContact CD1-CG 3.9Å; Y105-L134 HydrophobicContact CD1-CD2 4.29Å; Y105-L134 HydrophobicContact CE1-CD2 3.81Å; Y105-L134 HydrophobicContact CE2-CD2 4.07Å; I111-L134 HydrophobicContact CD1-CD2 3.66Å; L113-L134 HydrophobicContact CD2-CD1 4.07Å; W130-L134 WeakPolarHBondContact O-CB 3.48Å; W130-L134 VanDerWaalsContact O-CG 3.29Å; W130-L134 WeakPolarHBondContact O-CG 3.29Å; W130-L134 PolarHBondContact O-N 2.85Å; L131-L134 PolarHBondContact O-N 3.45Å; L134-S136 PolarHBondContact O-N 2.92Å; L134-A137 PolarHBondContact O-N 2.89Å; L134-I139 HydrophobicContact CB-CD1 4.28Å; L134-I139 HydrophobicContact CD2-CD1 3.68Å; L134-L141 HydrophobicContact CB-CD2 3.95Å; L134-F197 HydrophobicContact CD1-CE1 4.3Å; L134-F197 HydrophobicContact CD1-CE2 4.18Å; L134-F197 HydrophobicContact CD1-CZ 3.73Å |
| 135 | A | 93.9 | Very high | 94.8 | Very high | 35 Ų | 35 | 36.1 Ų | 36.1 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.7 | -20.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L131 K132 E133 L141 A149 L155 | L131-A135 VanDerWaalsContact O-CB 3.28Å; L131-A135 WeakPolarHBondContact O-CB 3.32Å; L131-A135 PolarHBondContact O-N 3.35Å; K132-A135 PolarHBondContact O-N 3.03Å; E133-A135 VanDerWaalsContact C-N 3.31Å; E133-A135 PolarHBondContact O-N 3.12Å; A135-L141 HydrophobicContact CB-CD1 3.94Å; A135-A149 HydrophobicContact CB-CB 4.11Å; A135-L155 HydrophobicContact CB-CD1 4.23Å |
| 136 | S | 92 | Very high | 94.7 | Very high | 82 Ų | 82 | 38.4 Ų | 38.4 | 57% | 0.573 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -96.1 | -11.1 | 177.2 | -50.9 | 0 | 0 | 0 | 0 | 112.7 | K132 E133 L134 | K132-S136 PolarHBondContact O-N 2.68Å; K132-S136 VanDerWaalsContact O-N 3.15Å; K132-S136 PolarHBondContact O-OG 3.47Å; E133-S136 CarbonylContact O-C 3.56Å; E133-S136 WeakPolarHBondContact O-CA 3.45Å; E133-S136 WeakPolarHBondContact O-CB 3.5Å; E133-S136 PolarHBondContact O-N 3.13Å; L134-S136 PolarHBondContact O-N 2.92Å |
| 137 | A | 91.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -81.5 | 160.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y105 E133 L134 I139 | Y105-A137 HydrophobicContact CD2-CB 3.54Å; Y105-A137 HydrophobicContact CE2-CB 4.03Å; Y105-A137 HydrophobicContact CG-CB 4.48Å; E133-A137 PolarHBondContact O-N 3.44Å; L134-A137 PolarHBondContact O-N 2.89Å; A137-I139 HydrophobicContact CB-CG1 4.16Å; A137-I139 PolarHBondContact O-N 3.39Å |
| 138 | P | 88.5 | Confident | 94.5 | Very high | 43 Ų | 43 | 42.3 Ų | 42.3 | 28% | 0.279 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -77.3 | 49.1 | 178.5 | 34.1 | -38 | 0 | 0 | 0 | 112.9 | L106 | L106-P138 HydrophobicContact CD2-CB 4.26Å; L106-P138 HydrophobicContact CD2-CG 3.73Å |
| 139 | I | 91 | Very high | 94.5 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.062 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -125.7 | 158.1 | 176.8 | 62.7 | 172.3 | 0 | 0 | 0 | 110.4 | I111 L134 A137 L141 P195 | I111-I139 HydrophobicContact CD1-CD1 3.97Å; L134-I139 HydrophobicContact CB-CD1 4.28Å; L134-I139 HydrophobicContact CD2-CD1 3.68Å; A137-I139 HydrophobicContact CB-CG1 4.16Å; A137-I139 PolarHBondContact O-N 3.39Å; I139-L141 HydrophobicContact CD1-CD2 4.13Å; I139-L141 HydrophobicContact CG1-CD2 4.42Å; I139-P195 HydrophobicContact CD1-CG 4.19Å |
| 140 | I | 92.2 | Very high | 94.4 | Very high | 49 Ų | 49 | 37.2 Ų | 37.2 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -93.8 | 122.8 | 170.9 | -50.1 | -178.2 | 0 | 0 | 0 | 108.4 | P193 V273 L275 | I140-P193 HydrophobicContact CB-CB 4.3Å; I140-P193 WeakPolarHBondContact CB-O 3.5Å; I140-P193 HydrophobicContact CG2-CB 3.82Å; I140-V273 HydrophobicContact CD1-CB 3.97Å; I140-V273 HydrophobicContact CD1-CG1 3.83Å; I140-L275 HydrophobicContact CD1-CD2 4.21Å; I140-L275 HydrophobicContact CD1-CG 4.49Å; I140-L275 HydrophobicContact CG1-CD1 4.45Å; I140-L275 HydrophobicContact CG1-CD2 3.98Å; I140-L275 HydrophobicContact CG1-CG 3.85Å |
| 141 | L | 93.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 45.3 Ų | 45.3 | 9% | 0.089 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 152.5 | 173.5 | -61.3 | -176.3 | 0 | 0 | 0 | 110.7 | L131 L134 A135 I139 A145 E146 F197 | L131-L141 HydrophobicContact CD1-CD1 4.33Å; L134-L141 HydrophobicContact CB-CD2 3.95Å; A135-L141 HydrophobicContact CB-CD1 3.94Å; I139-L141 HydrophobicContact CD1-CD2 4.13Å; I139-L141 HydrophobicContact CG1-CD2 4.42Å; L141-A145 HydrophobicContact CB-CB 4.18Å; L141-A145 HydrophobicContact CD1-CB 4.43Å; L141-E146 HydrophobicContact CB-CB 4.32Å; L141-F197 HydrophobicContact CD2-CE2 4.4Å; L141-F197 HydrophobicContact CD2-CZ 3.75Å |
| 142 | N | 93.9 | Very high | 94.1 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 20% | 0.203 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 157.7 | 164.6 | 75.5 | 67.7 | 0 | 0 | 0 | 110.3 | A144 A145 E146 L236 | N142-A144 VanDerWaalsContact C-N 3.29Å; N142-A144 PolarHBondContact O-N 3.21Å; N142-A144 WeakPolarHBondContact OD1-CB 3.37Å; N142-A144 PolarHBondContact OD1-N 3.18Å; N142-A145 PolarHBondContact O-N 3.06Å; N142-A145 PolarHBondContact OD1-N 2.79Å; N142-E146 WeakPolarHBondContact O-CB 3.31Å; N142-E146 PolarHBondContact O-N 3.37Å; N142-L236 PolarHBondContact ND2-O 3.46Å; N142-L236 PolarHBondContact OD1-O 3.16Å |
| 143 | S | 93.8 | Very high | 94 | Very high | 73 Ų | 73 | 46.4 Ų | 46.4 | 51% | 0.51 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.8 | -34.4 | -173.4 | -170.8 | 0 | 0 | 0 | 0 | 113.7 | E146 Q147 | S143-E146 PolarHBondContact O-N 2.8Å; S143-Q147 WeakPolarHBondContact O-CB 3.31Å; S143-Q147 WeakPolarHBondContact O-CG 3.49Å; S143-Q147 PolarHBondContact O-N 3.04Å; S143-Q147 PolarHBondContact OG-NE2 2.87Å |
| 144 | A | 96.2 | Very high | 93.5 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.1 | -45.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N142 E146 Q147 T148 | N142-A144 VanDerWaalsContact C-N 3.29Å; N142-A144 PolarHBondContact O-N 3.21Å; N142-A144 WeakPolarHBondContact OD1-CB 3.37Å; N142-A144 PolarHBondContact OD1-N 3.18Å; A144-E146 VanDerWaalsContact C-N 3.32Å; A144-E146 PolarHBondContact O-N 3.12Å; A144-Q147 PolarHBondContact O-N 3.17Å; A144-T148 WeakPolarHBondContact O-CB 3.42Å; A144-T148 PolarHBondContact O-N 3.34Å; A144-T148 PolarHBondContact O-OG1 3.37Å |
| 145 | A | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | L131 L141 N142 T148 A149 F197 | L131-A145 HydrophobicContact CD1-CB 3.97Å; L141-A145 HydrophobicContact CB-CB 4.18Å; L141-A145 HydrophobicContact CD1-CB 4.43Å; N142-A145 PolarHBondContact O-N 3.06Å; N142-A145 PolarHBondContact OD1-N 2.79Å; A145-T148 PolarHBondContact O-N 3.31Å; A145-A149 WeakPolarHBondContact O-CB 3.48Å; A145-A149 PolarHBondContact O-N 2.92Å; A145-F197 HydrophobicContact CB-CD2 4.38Å; A145-F197 HydrophobicContact CB-CE2 3.73Å |
| 146 | E | 95 | Very high | 90.6 | Very high | 67 Ų | 67 | 55.4 Ų | 55.4 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 177.3 | -169 | -177.9 | -170.5 | 0 | 0 | 112.3 | L141 N142 S143 A144 A149 S150 T157 | L141-E146 HydrophobicContact CB-CB 4.32Å; N142-E146 WeakPolarHBondContact O-CB 3.31Å; N142-E146 PolarHBondContact O-N 3.37Å; S143-E146 PolarHBondContact O-N 2.8Å; A144-E146 VanDerWaalsContact C-N 3.32Å; A144-E146 PolarHBondContact O-N 3.12Å; E146-A149 PolarHBondContact O-N 3.45Å; E146-S150 WeakPolarHBondContact O-CB 3.41Å; E146-S150 PolarHBondContact O-N 2.76Å; E146-S150 PolarHBondContact O-OG 3.11Å; E146-T157 HydrophobicContact CG-CG2 3.61Å; E146-T157 WeakPolarHBondContact OE1-CB 3.02Å; E146-T157 WeakPolarHBondContact OE1-CG2 3.41Å; E146-T157 PolarHBondContact OE1-OG1 2.94Å |
| 147 | Q | 95.6 | Very high | 88.8 | Confident | 127 Ų | 127 | 54.5 Ų | 54.5 | 59% | 0.593 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | 175.9 | -73.3 | 171 | 31.7 | 0 | 0 | 111.5 | S143 A144 S150 K151 | S143-Q147 WeakPolarHBondContact O-CB 3.31Å; S143-Q147 WeakPolarHBondContact O-CG 3.49Å; S143-Q147 PolarHBondContact O-N 3.04Å; S143-Q147 PolarHBondContact OG-NE2 2.87Å; A144-Q147 PolarHBondContact O-N 3.17Å; Q147-S150 PolarHBondContact O-N 3.48Å; Q147-K151 WeakPolarHBondContact O-CB 3.29Å; Q147-K151 PolarHBondContact O-N 2.69Å |
| 148 | T | 96.2 | Very high | 86.7 | Confident | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.08 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 177.3 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | K127 L131 A144 A145 K151 L152 E235 L236 | K127-T148 HydrophobicContact CD-CG2 4.33Å; L131-T148 HydrophobicContact CD2-CG2 3.62Å; A144-T148 WeakPolarHBondContact O-CB 3.42Å; A144-T148 PolarHBondContact O-N 3.34Å; A144-T148 PolarHBondContact O-OG1 3.37Å; A145-T148 PolarHBondContact O-N 3.31Å; T148-K151 PolarHBondContact O-N 3.18Å; T148-L152 HydrophobicContact CG2-CD1 3.92Å; T148-L152 WeakPolarHBondContact O-CB 3.16Å; T148-L152 WeakPolarHBondContact O-CG 3.32Å; T148-L152 PolarHBondContact O-N 3.12Å; T148-E235 HydrophobicContact CG2-CG 4.02Å; T148-E235 PolarHBondContact OG1-O 3.36Å; T148-L236 HydrophobicContact CG2-CD2 4.14Å |
| 149 | A | 95.6 | Very high | 84.6 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 3% | 0.033 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L131 A135 A145 E146 K151 L152 F153 | L131-A149 HydrophobicContact CD1-CB 4.44Å; L131-A149 HydrophobicContact CD2-CB 4.13Å; L131-A149 HydrophobicContact CG-CB 4.09Å; A135-A149 HydrophobicContact CB-CB 4.11Å; A145-A149 WeakPolarHBondContact O-CB 3.48Å; A145-A149 PolarHBondContact O-N 2.92Å; E146-A149 PolarHBondContact O-N 3.45Å; A149-K151 VanDerWaalsContact C-N 3.33Å; A149-K151 PolarHBondContact O-N 2.87Å; A149-L152 PolarHBondContact O-N 3.17Å; A149-F153 HydrophobicContact CB-CD2 4.17Å; A149-F153 HydrophobicContact CB-CE2 4.47Å; A149-F153 WeakPolarHBondContact O-CB 3.32Å; A149-F153 VanDerWaalsContact O-CD2 3.31Å; A149-F153 WeakPolarHBondContact O-CD2 2.99Å; A149-F153 PolarHBondContact O-N 2.93Å |
| 150 | S | 94.6 | Very high | 82.4 | Confident | 39 Ų | 39 | 73.8 Ų | 73.8 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 177 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | E146 Q147 G154 L155 | E146-S150 WeakPolarHBondContact O-CB 3.41Å; E146-S150 PolarHBondContact O-N 2.76Å; E146-S150 PolarHBondContact O-OG 3.11Å; Q147-S150 PolarHBondContact O-N 3.48Å; S150-G154 WeakPolarHBondContact O-CA 3.32Å; S150-G154 PolarHBondContact O-N 2.95Å; S150-L155 PolarHBondContact OG-O 2.68Å |
| 151 | K | 95.1 | Very high | 79.7 | Confident | 174 Ų | 174 | 77.3 Ų | 77.3 | 76% | 0.757 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | 177.7 | -178.7 | -178.7 | 176.3 | -176.1 | 0 | 112.9 | Q147 T148 A149 | Q147-K151 WeakPolarHBondContact O-CB 3.29Å; Q147-K151 PolarHBondContact O-N 2.69Å; T148-K151 PolarHBondContact O-N 3.18Å; A149-K151 VanDerWaalsContact C-N 3.33Å; A149-K151 PolarHBondContact O-N 2.87Å |
| 152 | L | 94.8 | Very high | 77.3 | Confident | 77 Ų | 77 | 81 Ų | 81 | 40% | 0.403 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -82.2 | -36 | -174.9 | -70.5 | 173.9 | 0 | 0 | 0 | 113.4 | K127 L131 T148 A149 | K127-L152 HydrophobicContact CB-CD1 3.96Å; K127-L152 HydrophobicContact CD-CD1 4.31Å; L131-L152 HydrophobicContact CD2-CD1 4.45Å; T148-L152 HydrophobicContact CG2-CD1 3.92Å; T148-L152 WeakPolarHBondContact O-CB 3.16Å; T148-L152 WeakPolarHBondContact O-CG 3.32Å; T148-L152 PolarHBondContact O-N 3.12Å; A149-L152 PolarHBondContact O-N 3.17Å |
| 153 | F | 93.8 | Very high | 74.5 | Confident | 61 Ų | 61 | 85.4 Ų | 85.4 | 27% | 0.268 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -116.2 | -4 | -168.2 | -52.3 | -53.1 | 0 | 0 | 0 | 114 | K127 L131 K132 A149 L155 | K127-F153 WeakPolarHBondContact O-CZ 3.45Å; L131-F153 HydrophobicContact CG-CE2 4.5Å; K132-F153 HydrophobicContact CB-CD2 4.31Å; K132-F153 HydrophobicContact CB-CE1 4.07Å; K132-F153 HydrophobicContact CB-CE2 3.63Å; K132-F153 HydrophobicContact CB-CZ 3.48Å; K132-F153 VanDerWaalsContact CB-CZ 3.48Å; K132-F153 HydrophobicContact CD-CD1 4.36Å; K132-F153 HydrophobicContact CD-CE1 4.13Å; K132-F153 HydrophobicContact CD-CZ 4.4Å; K132-F153 HydrophobicContact CG-CD1 4.37Å; K132-F153 HydrophobicContact CG-CD2 4.28Å; K132-F153 HydrophobicContact CG-CE1 4.17Å; K132-F153 HydrophobicContact CG-CE2 4.08Å; K132-F153 HydrophobicContact CG-CG 4.43Å; K132-F153 HydrophobicContact CG-CZ 4.01Å; A149-F153 HydrophobicContact CB-CD2 4.17Å; A149-F153 HydrophobicContact CB-CE2 4.47Å; A149-F153 WeakPolarHBondContact O-CB 3.32Å; A149-F153 VanDerWaalsContact O-CD2 3.31Å; A149-F153 WeakPolarHBondContact O-CD2 2.99Å; A149-F153 PolarHBondContact O-N 2.93Å; F153-L155 HydrophobicContact CB-CD1 3.56Å; F153-L155 HydrophobicContact CB-CG 3.96Å; F153-L155 HydrophobicContact CD2-CD1 3.96Å; F153-L155 HydrophobicContact CG-CD1 4.14Å; F153-L155 PolarHBondContact O-N 3.26Å; F153-L155 VanDerWaalsContact O-N 3.15Å |
| 154 | G | 85.2 | Confident | 71.9 | Confident | 66 Ų | 66 | 86.6 Ų | 86.6 | 68% | 0.68 | 48% | 0.477 | S | S | * | . | trans | 63 | 18.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S150 S156 | S150-G154 WeakPolarHBondContact O-CA 3.32Å; S150-G154 PolarHBondContact O-N 2.95Å; G154-S156 PolarHBondContact O-N 3.03Å | ||
| 155 | L | 70.5 | Confident | 69.3 | Low | 73 Ų | 73 | 95.3 Ų | 95.3 | 38% | 0.382 | 51% | 0.51 | S | S | . | . | trans | -68.5 | 101.2 | 175.7 | -76.2 | 152.9 | 0 | 0 | 0 | 107.7 | A135 S150 F153 T157 | A135-L155 HydrophobicContact CB-CD1 4.23Å; S150-L155 PolarHBondContact OG-O 2.68Å; F153-L155 HydrophobicContact CB-CD1 3.56Å; F153-L155 HydrophobicContact CB-CG 3.96Å; F153-L155 HydrophobicContact CD2-CD1 3.96Å; F153-L155 HydrophobicContact CG-CD1 4.14Å; F153-L155 PolarHBondContact O-N 3.26Å; F153-L155 VanDerWaalsContact O-N 3.15Å; L155-T157 PolarHBondContact O-N 3.34Å | ||
| 156 | S | 58 | Low | 66.5 | Low | 110 Ų | 110 | 100.4 Ų | 100.4 | 77% | 0.769 | 55% | 0.545 | S | S | * | . | trans | -66.9 | 104.1 | 166.4 | -177.1 | 0 | 0 | 0 | 0 | 106.7 | G154 T158 | G154-S156 PolarHBondContact O-N 3.03Å; S156-T158 PolarHBondContact O-N 3.48Å | ||
| 157 | T | 53.8 | Low | 63.5 | Low | 63 Ų | 63 | 101.7 Ų | 101.7 | 39% | 0.387 | 57% | 0.567 | S | S | . | * | trans | -63.8 | 106.3 | 172.2 | 58.5 | 0 | 0 | 0 | 0 | 107.4 | E146 L155 R159 | E146-T157 HydrophobicContact CG-CG2 3.61Å; E146-T157 WeakPolarHBondContact OE1-CB 3.02Å; E146-T157 WeakPolarHBondContact OE1-CG2 3.41Å; E146-T157 PolarHBondContact OE1-OG1 2.94Å; L155-T157 PolarHBondContact O-N 3.34Å; T157-R159 VanDerWaalsContact C-N 3.32Å; T157-R159 PolarHBondContact O-N 2.96Å | ||
| 158 | T | 46.2 | Very low | 60.8 | Low | 104 Ų | 104 | 100.9 Ų | 100.9 | 64% | 0.638 | 58% | 0.576 | S | S | * | * | trans | -57.7 | 107.9 | 164.2 | 46.8 | 0 | 0 | 0 | 0 | 104.7 | S156 R160 | S156-T158 PolarHBondContact O-N 3.48Å; T158-R160 PolarHBondContact O-N 3.23Å | ||
| 159 | R | 45.1 | Very low | 58 | Low | 218 Ų | 218 | 106.1 Ų | 106.1 | 82% | 0.823 | 61% | 0.608 | S | S | * | * | trans | -50.8 | 89.8 | 153.9 | -76 | -174 | -177.2 | -174.9 | 1.7 | 105.6 | T157 N161 | T157-R159 VanDerWaalsContact C-N 3.32Å; T157-R159 PolarHBondContact O-N 2.96Å; R159-N161 PolarHBondContact O-N 3.35Å | ||
| 160 | R | 44.7 | Very low | 55.3 | Low | 146 Ų | 146 | 111.5 Ų | 111.5 | 55% | 0.551 | 64% | 0.643 | S | S | * | * | trans | -70 | 94.9 | 164.1 | -79.9 | -171.3 | -90.7 | 172.6 | -11.2 | 103.2 | T158 A162 | T158-R160 PolarHBondContact O-N 3.23Å; R160-A162 PolarHBondContact O-N 2.82Å | ||
| 161 | N | 34.5 | Very low | 52.7 | Low | 123 Ų | 123 | 115 Ų | 115 | 66% | 0.658 | 66% | 0.662 | S | S | * | * | trans | -30.6 | 106.9 | -176.5 | -65 | -37.9 | 0 | 0 | 0 | 111.9 | R159 | R159-N161 PolarHBondContact O-N 3.35Š| ||
| 162 | A | 43.3 | Very low | 50.2 | Low | 95 Ų | 95 | 115.8 Ų | 115.8 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | trans | -75.1 | -4.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R160 S164 | R160-A162 PolarHBondContact O-N 2.82Å; A162-S164 PolarHBondContact O-N 2.85Å | ||
| 163 | D | 36.6 | Very low | 47.7 | Very low | 131 Ų | 131 | 118 Ų | 118 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | trans | -92.3 | 68.6 | 179.8 | -59.2 | -25 | 0 | 0 | 0 | 111.4 | ||||
| 164 | S | 37.9 | Very low | 45.5 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | trans | -144.3 | 46 | 155.3 | 74.7 | 0 | 0 | 0 | 0 | 111.2 | A162 | A162-S164 PolarHBondContact O-N 2.85Š| ||
| 165 | F | 41.5 | Very low | 43.8 | Very low | 213 Ų | 213 | 127.1 Ų | 127.1 | 93% | 0.934 | 72% | 0.723 | S | S | * | * | trans | -124.8 | 42.1 | 157.6 | -93.6 | -87 | 0 | 0 | 0 | 109.2 | ||||
| 166 | S | 38.3 | Very low | 42.8 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -98.7 | 129.5 | 161.6 | 69.8 | 0 | 0 | 0 | 0 | 108.9 | S168 | S166-S168 PolarHBondContact O-N 2.82Š|
| 167 | A | 32.8 | Very low | 42.3 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | trans | -50.9 | 117.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 168 | S | 38.7 | Very low | 41.7 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | -96.1 | 108.3 | 148.2 | 49.9 | 0 | 0 | 0 | 0 | 107.4 | S166 P170 | S166-S168 PolarHBondContact O-N 2.82Å; S168-P170 WeakPolarHBondContact O-CD 3.34Å | ||
| 169 | V | 37.6 | Very low | 41.6 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | trans | -72.1 | 127 | 167.6 | 172.6 | 0 | 0 | 0 | 0 | 107.6 | T171 | V169-T171 HydrophobicContact CG1-CG2 4.47Š| ||
| 170 | P | 39 | Very low | 41.4 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | -119 | 131.4 | 143.5 | 3.3 | 18.2 | 0 | 0 | 0 | 110.5 | S168 | S168-P170 WeakPolarHBondContact O-CD 3.34Š| ||
| 171 | T | 39.2 | Very low | 41.2 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | trans | -64.2 | 148.4 | -179.1 | 52 | 0 | 0 | 0 | 0 | 114.1 | V169 | V169-T171 HydrophobicContact CG1-CG2 4.47Š| ||
| 172 | K | 42.1 | Very low | 41.1 | Very low | 191 Ų | 191 | 132.2 Ų | 132.2 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | 77.2 | 106.5 | 157.3 | -61.9 | 172.6 | -178.7 | 178.6 | 0 | 117.6 | ||||
| 173 | S | 43.2 | Very low | 41.1 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | 168.7 | 153.9 | 97.8 | -73 | 0 | 0 | 0 | 0 | 112 | |||||
| 174 | K | 47.2 | Very low | 41.5 | Very low | 200 Ų | 200 | 138.4 Ų | 138.4 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -72.8 | 166.4 | -167.8 | -67.7 | 173.4 | 173.4 | 176.2 | 0 | 114.2 | ||||
| 175 | S | 48.7 | Very low | 41.7 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 82.5 | 142.8 | 168.8 | 86.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 176 | S | 49.7 | Very low | 42.3 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | cis | -174.3 | 128.6 | -0 | 125.3 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 177 | V | 48.7 | Very low | 42.8 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | trans | 75.8 | 126.3 | 137.6 | 176.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 178 | H | 40.5 | Very low | 43.8 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | 99.7 | 129.6 | 149.2 | -72.1 | -30.4 | 0 | 0 | 0 | 122.3 | ||||
| 179 | T | 44.7 | Very low | 44.8 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | 78.5 | 96.7 | 157.2 | 62.5 | 0 | 0 | 0 | 0 | 121.2 | R181 | T179-R181 PolarHBondContact O-N 2.82Š| ||
| 180 | S | 39.8 | Very low | 46.1 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -53.2 | 117.4 | 162 | -32.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 181 | R | 41 | Very low | 47.7 | Very low | 234 Ų | 234 | 134.5 Ų | 134.5 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -125.7 | 105.8 | 141.7 | -78.9 | -173.8 | -169 | 164.3 | 4.3 | 106.7 | T179 L183 | T179-R181 PolarHBondContact O-N 2.82Å; R181-L183 PolarHBondContact O-N 2.81Å | ||
| 182 | G | 32.9 | Very low | 49.6 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | -62.6 | 102.6 | 177 | 0 | 0 | 0 | 0 | 0 | 109.8 | K184 | G182-K184 PolarHBondContact O-N 3.45Š| ||
| 183 | L | 42.5 | Very low | 51.3 | Low | 166 Ų | 166 | 124.1 Ų | 124.1 | 87% | 0.869 | 71% | 0.706 | S | S | * | * | trans | -61.3 | 113.8 | 155.1 | -89.7 | 79.2 | 0 | 0 | 0 | 106.2 | R181 S185 | R181-L183 PolarHBondContact O-N 2.81Å; L183-S185 PolarHBondContact O-N 2.79Å; L183-S185 VanDerWaalsContact O-N 3.08Å | ||
| 184 | K | 46.1 | Very low | 53.6 | Low | 190 Ų | 190 | 118.4 Ų | 118.4 | 83% | 0.826 | 67% | 0.667 | S | S | * | * | trans | -58.8 | 115 | 165.7 | -69.3 | -179.1 | 178.9 | 178.9 | 0 | 106.4 | G182 V186 | G182-K184 PolarHBondContact O-N 3.45Å; K184-V186 VanDerWaalsContact C-N 3.28Å; K184-V186 PolarHBondContact O-N 2.83Å | ||
| 185 | S | 41.6 | Very low | 55.9 | Low | 109 Ų | 109 | 109.2 Ų | 109.2 | 76% | 0.762 | 63% | 0.628 | S | S | * | * | trans | -60.6 | 93.4 | 167.6 | 173.6 | 0 | 0 | 0 | 0 | 107.4 | L183 N187 | L183-S185 PolarHBondContact O-N 2.79Å; L183-S185 VanDerWaalsContact O-N 3.08Å; S185-N187 PolarHBondContact O-N 2.88Å | ||
| 186 | V | 53.8 | Low | 58.2 | Low | 102 Ų | 102 | 104.3 Ų | 104.3 | 62% | 0.618 | 59% | 0.592 | S | S | * | * | trans | -68 | 121 | 170.3 | -175.5 | 0 | 0 | 0 | 0 | 105.7 | K184 E188 | K184-V186 VanDerWaalsContact C-N 3.28Å; K184-V186 PolarHBondContact O-N 2.83Å; V186-E188 PolarHBondContact O-N 2.98Å | ||
| 187 | N | 48.3 | Very low | 60.5 | Low | 111 Ų | 111 | 100 Ų | 100 | 59% | 0.594 | 56% | 0.561 | S | S | * | * | trans | -60.7 | 102.2 | 173.1 | -78.5 | -16.3 | 0 | 0 | 0 | 108.1 | S185 A189 N190 | S185-N187 PolarHBondContact O-N 2.88Å; N187-A189 PolarHBondContact O-N 2.95Å; N187-N190 PolarHBondContact O-N 3.39Å | ||
| 188 | E | 55.4 | Low | 62.9 | Low | 170 Ų | 170 | 95 Ų | 95 | 79% | 0.794 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -53.8 | -25.3 | -176.9 | -158.4 | 163 | -153.9 | 0 | 0 | 112.6 | V186 N190 L191 | V186-E188 PolarHBondContact O-N 2.98Å; E188-N190 PolarHBondContact O-N 2.83Å; E188-N190 VanDerWaalsContact O-N 3.15Å; E188-L191 WeakPolarHBondContact O-CB 3.43Å; E188-L191 PolarHBondContact O-N 2.87Å |
| 189 | A | 60.2 | Low | 65.7 | Low | 97 Ų | 97 | 86.7 Ų | 86.7 | 80% | 0.802 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -61.7 | -17.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.3 | N187 | N187-A189 PolarHBondContact O-N 2.95Š|
| 190 | N | 64.5 | Low | 68.3 | Low | 115 Ų | 115 | 80.4 Ų | 80.4 | 62% | 0.615 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -106.8 | 6.9 | -179.9 | -70.4 | -20.5 | 0 | 0 | 0 | 113.5 | N187 E188 I192 S269 | N187-N190 PolarHBondContact O-N 3.39Å; E188-N190 PolarHBondContact O-N 2.83Å; E188-N190 VanDerWaalsContact O-N 3.15Å; N190-I192 PolarHBondContact O-N 2.95Å; N190-S269 PolarHBondContact O-OG 3.12Å |
| 191 | L | 72.5 | Confident | 71.1 | Confident | 76 Ų | 76 | 74.6 Ų | 74.6 | 40% | 0.398 | 41% | 0.413 | S | S | . | . | trans | -71.8 | 128.8 | -177.9 | -169.7 | 61.3 | 0 | 0 | 0 | 110.7 | E188 S269 V273 | E188-L191 WeakPolarHBondContact O-CB 3.43Å; E188-L191 PolarHBondContact O-N 2.87Å; L191-S269 WeakPolarHBondContact CD1-O 2.8Å; L191-V273 HydrophobicContact CD1-CG2 3.9Å; L191-V273 HydrophobicContact CD2-CG2 3.57Å; L191-V273 HydrophobicContact CG-CG2 3.72Å | ||
| 192 | I | 78.7 | Confident | 73.8 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | trans | -91.1 | 115 | 172.9 | -58.7 | 173.8 | 0 | 0 | 0 | 107 | N190 G194 I196 K265 V266 | N190-I192 PolarHBondContact O-N 2.95Å; I192-G194 VanDerWaalsContact CG2-O 3.31Å; I192-G194 WeakPolarHBondContact CG2-O 3.4Å; I192-G194 PolarHBondContact O-N 2.85Å; I192-I196 HydrophobicContact CD1-CD1 4.3Å; I192-I196 HydrophobicContact CG2-CG1 4.35Å; I192-K265 HydrophobicContact CD1-CB 4.46Å; I192-K265 HydrophobicContact CD1-CD 4.13Å; I192-K265 HydrophobicContact CD1-CG 3.76Å; I192-V266 HydrophobicContact CB-CG2 4.44Å; I192-V266 HydrophobicContact CD1-CG2 4.03Å; I192-V266 HydrophobicContact CG2-CG2 4.1Å | ||
| 193 | P | 78.4 | Confident | 76.9 | Confident | 56 Ų | 56 | 61 Ų | 61 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | trans | -68.7 | -21.8 | -167.2 | 25.8 | -34.6 | 0 | 0 | 0 | 113.3 | I140 V273 | I140-P193 HydrophobicContact CB-CB 4.3Å; I140-P193 WeakPolarHBondContact CB-O 3.5Å; I140-P193 HydrophobicContact CG2-CB 3.82Å; P193-V273 WeakPolarHBondContact O-CB 3.32Å; P193-V273 PolarHBondContact O-N 2.77Å | ||
| 194 | G | 90.7 | Very high | 79.5 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -163.5 | -164.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | I192 | I192-G194 VanDerWaalsContact CG2-O 3.31Å; I192-G194 WeakPolarHBondContact CG2-O 3.4Å; I192-G194 PolarHBondContact O-N 2.85Å |
| 195 | P | 95.8 | Very high | 82 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -62 | 141.9 | 179.9 | 21.1 | -29.9 | 0 | 0 | 0 | 112.2 | A108 H109 I111 I139 F197 | A108-P195 HydrophobicContact CB-CB 4.03Å; A108-P195 HydrophobicContact CB-CG 4.3Å; A108-P195 WeakPolarHBondContact O-CB 3.32Å; H109-P195 WeakPolarHBondContact O-CA 3.37Å; I111-P195 HydrophobicContact CD1-CB 4.01Å; I111-P195 HydrophobicContact CD1-CG 3.58Å; I111-P195 HydrophobicContact CG1-CB 3.8Å; I111-P195 HydrophobicContact CG1-CG 3.98Å; I139-P195 HydrophobicContact CD1-CG 4.19Å; P195-F197 HydrophobicContact CG-CE1 4.22Å |
| 196 | I | 97.1 | Very high | 84.6 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.077 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 135.8 | 169.2 | -67.7 | 178.3 | 0 | 0 | 0 | 109.3 | H109 V110 I111 I192 E239 C262 K265 V266 | H109-I196 PolarHBondContact O-N 3.17Å; V110-I196 CarbonylContact C-O 3.52Å; V110-I196 VanDerWaalsContact CA-O 3.31Å; V110-I196 WeakPolarHBondContact CA-O 3.19Å; V110-I196 WeakPolarHBondContact CG1-O 3.36Å; I111-I196 PolarHBondContact N-O 3.11Å; I192-I196 HydrophobicContact CD1-CD1 4.3Å; I192-I196 HydrophobicContact CG2-CG1 4.35Å; I196-E239 HydrophobicContact CG2-CB 3.71Å; I196-C262 HydrophobicContact CB-CB 4.07Å; I196-C262 HydrophobicContact CD1-CB 3.88Å; I196-C262 HydrophobicContact CG2-CB 3.88Å; I196-K265 HydrophobicContact CD1-CD 3.97Å; I196-V266 HydrophobicContact CD1-CG2 3.78Å; I196-V266 HydrophobicContact CG1-CG2 3.77Å |
| 197 | F | 98.1 | Very high | 86.7 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 138.7 | 176.1 | -68.2 | -0.8 | 0 | 0 | 0 | 111 | I111 L113 L134 L141 A145 P195 A238 E239 | I111-F197 HydrophobicContact CB-CD1 3.93Å; I111-F197 HydrophobicContact CB-CE1 4.12Å; I111-F197 HydrophobicContact CD1-CE1 4Å; I111-F197 HydrophobicContact CG1-CE1 4.46Å; I111-F197 WeakPolarHBondContact O-CA 3.22Å; L113-F197 HydrophobicContact CD1-CB 4.2Å; L113-F197 HydrophobicContact CD1-CD2 3.9Å; L113-F197 HydrophobicContact CD1-CG 4.14Å; L134-F197 HydrophobicContact CD1-CE1 4.3Å; L134-F197 HydrophobicContact CD1-CE2 4.18Å; L134-F197 HydrophobicContact CD1-CZ 3.73Å; L141-F197 HydrophobicContact CD2-CE2 4.4Å; L141-F197 HydrophobicContact CD2-CZ 3.75Å; A145-F197 HydrophobicContact CB-CD2 4.38Å; A145-F197 HydrophobicContact CB-CE2 3.73Å; P195-F197 HydrophobicContact CG-CE1 4.22Å; F197-A238 HydrophobicContact CB-CB 4.03Å; F197-A238 CarbonylContact O-C 3.54Å; F197-A238 VanDerWaalsContact O-CA 3.24Å; F197-A238 WeakPolarHBondContact O-CA 3.48Å; F197-A238 WeakPolarHBondContact O-CB 3.32Å; F197-E239 PolarHBondContact O-N 3.27Å |
| 198 | L | 98.7 | Very high | 89 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.8 | 168.2 | -68.1 | 177.8 | 0 | 0 | 0 | 108.1 | V110 I111 L112 L113 I200 E239 A240 L258 A259 | V110-L198 HydrophobicContact CG1-CD1 3.81Å; V110-L198 HydrophobicContact CG1-CG 4.08Å; I111-L198 PolarHBondContact O-N 3.44Å; L112-L198 HydrophobicContact CD2-CB 3.87Å; L112-L198 HydrophobicContact CD2-CD1 3.93Å; L113-L198 PolarHBondContact N-O 3.43Å; L198-I200 HydrophobicContact CB-CD1 4.29Å; L198-E239 HydrophobicContact CD2-CB 4.14Å; L198-A240 HydrophobicContact CD2-CB 3.96Å; L198-L258 HydrophobicContact CD1-CB 4.07Å; L198-A259 HydrophobicContact CD1-CB 4.11Å |
| 199 | L | 98.8 | Very high | 91 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126.5 | 177.4 | -174.1 | 70.3 | 0 | 0 | 0 | 109.9 | L113 F115 L126 A229 L232 A233 A238 A240 Y241 V242 | L113-L199 HydrophobicContact CB-CD1 3.98Å; F115-L199 HydrophobicContact CD1-CD1 4.1Å; F115-L199 HydrophobicContact CD1-CG 4.42Å; F115-L199 HydrophobicContact CE1-CD1 4.15Å; F115-L199 HydrophobicContact CE1-CD2 4.21Å; F115-L199 HydrophobicContact CE1-CG 3.99Å; L126-L199 HydrophobicContact CD1-CD1 3.41Å; L126-L199 VanDerWaalsContact CD1-CD1 3.41Å; L199-A229 HydrophobicContact CD2-CB 4.42Å; L199-A229 WeakPolarHBondContact CD2-O 3.41Å; L199-L232 HydrophobicContact CD2-CB 4.37Å; L199-L232 HydrophobicContact CD2-CG 4.47Å; L199-A233 HydrophobicContact CB-CB 4.02Å; L199-A233 HydrophobicContact CD2-CB 3.78Å; L199-A238 HydrophobicContact CB-CB 4.39Å; L199-A240 PolarHBondContact N-O 3.45Å; L199-Y241 HydrophobicContact CB-CD2 4.03Å; L199-Y241 HydrophobicContact CD2-CD2 3.77Å; L199-Y241 HydrophobicContact CD2-CE2 4.31Å; L199-Y241 HydrophobicContact CD2-CG 4.4Å; L199-Y241 HydrophobicContact CG-CD2 3.8Å; L199-Y241 HydrophobicContact CG-CE2 4.36Å; L199-Y241 VanDerWaalsContact O-CA 3.31Å; L199-Y241 WeakPolarHBondContact O-CA 3.39Å; L199-Y241 WeakPolarHBondContact O-CD2 3.43Å; L199-V242 PolarHBondContact O-N 3.42Å |
| 200 | I | 98.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 115.9 | -173.8 | -48.9 | -61 | 0 | 0 | 0 | 110.8 | L52 L112 L113 C114 F115 L198 V242 C244 V255 | L52-I200 HydrophobicContact CD2-CG2 4.32Å; L112-I200 HydrophobicContact CB-CG1 4.23Å; L112-I200 HydrophobicContact CD2-CD1 3.68Å; L112-I200 HydrophobicContact CD2-CG1 3.61Å; L113-I200 PolarHBondContact O-N 3.24Å; C114-I200 WeakPolarHBondContact CA-O 3.12Å; F115-I200 VanDerWaalsContact CD1-O 3.25Å; F115-I200 WeakPolarHBondContact CD1-O 3.46Å; F115-I200 PolarHBondContact N-O 3.47Å; L198-I200 HydrophobicContact CB-CD1 4.29Å; I200-V242 CarbonylContact C-O 3.57Å; I200-V242 WeakPolarHBondContact CA-O 3.39Å; I200-V242 HydrophobicContact CD1-CB 4.34Å; I200-C244 VanDerWaalsContact CG2-SG 3.55Å; I200-V255 HydrophobicContact CD1-CB 4.47Å; I200-V255 HydrophobicContact CD1-CG1 3.74Å; I200-V255 HydrophobicContact CD1-CG2 4.05Å; I200-V255 HydrophobicContact CG1-CG1 4.33Å; I200-V255 HydrophobicContact CG2-CG2 4.34Å |
| 201 | G | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 96.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | V242 E243 C244 | G201-V242 PolarHBondContact N-O 2.87Å; G201-E243 CarbonylContact O-C 3.58Å; G201-E243 VanDerWaalsContact O-CA 3.26Å; G201-E243 WeakPolarHBondContact O-CA 3.4Å; G201-C244 PolarHBondContact O-N 3.23Å |
| 202 | C | 98.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 160.3 | -179.1 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | V47 F115 S116 V117 C204 C244 | V47-C202 WeakPolarHBondContact O-CB 3.47Å; F115-C202 WeakPolarHBondContact O-CB 3.4Å; F115-C202 PolarHBondContact O-N 3.3Å; S116-C202 WeakPolarHBondContact CA-O 3.38Å; V117-C202 PolarHBondContact N-O 3.06Å; C202-C204 PolarHBondContact O-N 3.42Å; C202-C244 CarbonylContact C-O 3.49Å |
| 203 | A | 97.5 | Very high | 96.2 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 19% | 0.19 | 21% | 0.209 | C | C | . | . | trans | 60.4 | 39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D205 L206 C244 | A203-D205 PolarHBondContact O-N 3.05Å; A203-L206 HydrophobicContact CB-CD1 4.13Å; A203-L206 HydrophobicContact CB-CG 4.4Å; A203-L206 PolarHBondContact O-N 2.89Å; A203-L206 VanDerWaalsContact O-N 3.08Å; A203-C244 PolarHBondContact N-O 3.47Å | ||
| 204 | C | 97.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -68 | -15.5 | -179.7 | 70.4 | 0 | 0 | 0 | 0 | 114.4 | V117 C202 L206 R207 E243 C244 | V117-C204 HydrophobicContact CG2-CB 4.27Å; C202-C204 PolarHBondContact O-N 3.42Å; C204-L206 PolarHBondContact O-N 2.88Å; C204-R207 WeakPolarHBondContact O-CB 3.36Å; C204-R207 PolarHBondContact O-N 2.93Å; C204-E243 HydrophobicContact CB-CB 3.98Å; C204-C244 PolarHBondContact N-O 3.22Å; C204-C244 PolarHBondContact SG-O 3.22Å |
| 205 | D | 97.5 | Very high | 97.4 | Very high | 54 Ų | 54 | 45.8 Ų | 45.8 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -62.9 | -27.4 | 169 | 54.6 | -73.4 | 0 | 0 | 0 | 112.8 | A203 R207 S245 T248 | A203-D205 PolarHBondContact O-N 3.05Å; D205-R207 VanDerWaalsContact C-N 3.35Å; D205-S245 WeakPolarHBondContact OD1-CB 3.43Å; D205-S245 PolarHBondContact OD1-OG 2.65Å; D205-T248 HydrophobicContact CB-CG2 3.98Å |
| 206 | L | 97.3 | Very high | 97.5 | Very high | 40 Ų | 40 | 46 Ų | 46 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -86 | -3.8 | -178.8 | -57.8 | -176.8 | 0 | 0 | 0 | 113.7 | V118 A203 C204 N208 D209 R212 | V118-L206 HydrophobicContact CG1-CB 3.84Å; V118-L206 WeakPolarHBondContact CG1-O 3.38Å; V118-L206 HydrophobicContact CG2-CB 4.03Å; V118-L206 HydrophobicContact CG2-CD1 4.19Å; A203-L206 HydrophobicContact CB-CD1 4.13Å; A203-L206 HydrophobicContact CB-CG 4.4Å; A203-L206 PolarHBondContact O-N 2.89Å; A203-L206 VanDerWaalsContact O-N 3.08Å; C204-L206 PolarHBondContact O-N 2.88Å; L206-N208 PolarHBondContact O-N 2.69Å; L206-N208 VanDerWaalsContact O-N 3.12Å; L206-D209 HydrophobicContact CB-CB 4.36Å; L206-D209 HydrophobicContact CD2-CB 4.31Å; L206-D209 WeakPolarHBondContact O-CB 3.25Å; L206-D209 PolarHBondContact O-N 3.1Å; L206-R212 HydrophobicContact CB-CG 4.49Å |
| 207 | R | 96.9 | Very high | 97.5 | Very high | 53 Ų | 53 | 49.3 Ų | 49.3 | 20% | 0.2 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -55.1 | -34.9 | -176 | 180 | 177.9 | -74.2 | -75 | 0.6 | 112.8 | C204 D205 P223 I224 E243 | C204-R207 WeakPolarHBondContact O-CB 3.36Å; C204-R207 PolarHBondContact O-N 2.93Å; D205-R207 VanDerWaalsContact C-N 3.35Å; R207-P223 HydrophobicContact CG-CB 4.22Å; R207-I224 VanDerWaalsContact CZ-O 3.24Å; R207-I224 PolarHBondContact NH1-O 3.45Å; R207-I224 PolarHBondContact NH2-O 2.99Å; R207-E243 IonicContact CZ-OE1 2.76Å; R207-E243 IonicContact NE-OE2 3.66Å; R207-E243 IonicContact NH2-OE1 3.4Å; R207-E243 PolarHBondContact NH2-OE1 3.15Å; R207-E243 IonicContact NH2-OE2 3.02Å |
| 208 | N | 96.3 | Very high | 97.4 | Very high | 137 Ų | 137 | 57.4 Ų | 57.4 | 73% | 0.733 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -108.1 | 11.1 | 179.7 | -60.1 | -30.5 | 0 | 0 | 0 | 112.7 | L206 I210 | L206-N208 PolarHBondContact O-N 2.69Å; L206-N208 VanDerWaalsContact O-N 3.12Å; N208-I210 PolarHBondContact O-N 3.26Å |
| 209 | D | 97.1 | Very high | 97.3 | Very high | 67 Ų | 67 | 62.3 Ų | 62.3 | 36% | 0.358 | 33% | 0.33 | S | S | . | . | trans | -68.3 | 122.1 | 177.5 | 177.6 | 74.1 | 0 | 0 | 0 | 110.2 | L206 G211 R212 L213 | L206-D209 HydrophobicContact CB-CB 4.36Å; L206-D209 HydrophobicContact CD2-CB 4.31Å; L206-D209 WeakPolarHBondContact O-CB 3.25Å; L206-D209 PolarHBondContact O-N 3.1Å; D209-G211 VanDerWaalsContact C-N 3.27Å; D209-G211 PolarHBondContact O-N 3.35Å; D209-G211 WeakPolarHBondContact OD2-CA 3.26Å; D209-G211 PolarHBondContact OD2-N 3.41Å; D209-G211 VanDerWaalsContact OD2-N 3.08Å; D209-R212 HydrophobicContact CB-CB 4.27Å; D209-R212 HydrophobicContact CB-CG 4.22Å; D209-R212 PolarHBondContact O-N 3.06Å; D209-R212 WeakPolarHBondContact OD2-CG 3.39Å; D209-R212 PolarHBondContact OD2-N 3.5Å; D209-L213 VanDerWaalsContact O-CG 3.31Å; D209-L213 WeakPolarHBondContact O-CG 3.43Å; D209-L213 PolarHBondContact O-N 2.7Å | ||
| 210 | I | 97.1 | Very high | 97.2 | Very high | 128 Ų | 128 | 65.8 Ų | 65.8 | 66% | 0.656 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.1 | -39.9 | -174.9 | -62.1 | 171.6 | 0 | 0 | 0 | 110.9 | N208 L213 L214 | N208-I210 PolarHBondContact O-N 3.26Å; I210-L213 PolarHBondContact O-N 3.32Å; I210-L214 HydrophobicContact CG2-CD1 4Å; I210-L214 HydrophobicContact CG2-CG 4.36Å; I210-L214 WeakPolarHBondContact O-CB 3.02Å; I210-L214 VanDerWaalsContact O-CG 3.29Å; I210-L214 WeakPolarHBondContact O-CG 3.35Å; I210-L214 PolarHBondContact O-N 3.38Å |
| 211 | G | 96.5 | Very high | 97.2 | Very high | 35 Ų | 35 | 68.4 Ų | 68.4 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | D209 L214 E215 | D209-G211 VanDerWaalsContact C-N 3.27Å; D209-G211 PolarHBondContact O-N 3.35Å; D209-G211 WeakPolarHBondContact OD2-CA 3.26Å; D209-G211 PolarHBondContact OD2-N 3.41Å; D209-G211 VanDerWaalsContact OD2-N 3.08Å; G211-L214 PolarHBondContact O-N 2.89Å; G211-E215 WeakPolarHBondContact O-CG 3.46Å; G211-E215 PolarHBondContact O-N 2.92Å |
| 212 | R | 95.6 | Very high | 97.1 | Very high | 99 Ų | 99 | 73.7 Ų | 73.7 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 178.2 | -63.7 | -63.1 | 158.4 | 92.9 | 4.6 | 113 | L206 D209 L214 E215 L216 | L206-R212 HydrophobicContact CB-CG 4.49Å; D209-R212 HydrophobicContact CB-CB 4.27Å; D209-R212 HydrophobicContact CB-CG 4.22Å; D209-R212 PolarHBondContact O-N 3.06Å; D209-R212 WeakPolarHBondContact OD2-CG 3.39Å; D209-R212 PolarHBondContact OD2-N 3.5Å; R212-L214 VanDerWaalsContact C-N 3.34Å; R212-L214 PolarHBondContact O-N 2.88Å; R212-E215 IonicContact NE-OE2 3.76Å; R212-E215 PolarHBondContact O-N 3.12Å; R212-L216 WeakPolarHBondContact O-CG 3.38Å; R212-L216 PolarHBondContact O-N 2.85Å |
| 213 | L | 97.5 | Very high | 97.1 | Very high | 68 Ų | 68 | 74.4 Ų | 74.4 | 36% | 0.356 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 175.7 | -69.3 | 175.6 | 0 | 0 | 0 | 111.9 | D209 I210 S217 P223 | D209-L213 VanDerWaalsContact O-CG 3.31Å; D209-L213 WeakPolarHBondContact O-CG 3.43Å; D209-L213 PolarHBondContact O-N 2.7Å; I210-L213 PolarHBondContact O-N 3.32Å; L213-S217 VanDerWaalsContact O-CB 3.27Å; L213-S217 WeakPolarHBondContact O-CB 3.33Å; L213-S217 PolarHBondContact O-N 2.76Å; L213-P223 HydrophobicContact CD2-CG 3.63Å |
| 214 | L | 97.4 | Very high | 97.1 | Very high | 104 Ų | 104 | 74 Ų | 74 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 175.2 | -72 | 173 | 0 | 0 | 0 | 112.3 | I210 G211 R212 K218 | I210-L214 HydrophobicContact CG2-CD1 4Å; I210-L214 HydrophobicContact CG2-CG 4.36Å; I210-L214 WeakPolarHBondContact O-CB 3.02Å; I210-L214 VanDerWaalsContact O-CG 3.29Å; I210-L214 WeakPolarHBondContact O-CG 3.35Å; I210-L214 PolarHBondContact O-N 3.38Å; G211-L214 PolarHBondContact O-N 2.89Å; R212-L214 VanDerWaalsContact C-N 3.34Å; R212-L214 PolarHBondContact O-N 2.88Å; L214-K218 VanDerWaalsContact O-CG 3.32Å; L214-K218 WeakPolarHBondContact O-CG 3.49Å; L214-K218 PolarHBondContact O-N 3.12Å |
| 215 | E | 96.4 | Very high | 97.1 | Very high | 108 Ų | 108 | 76.5 Ų | 76.5 | 51% | 0.505 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 175.4 | -74.5 | 173.4 | -179.5 | 0 | 0 | 112.2 | G211 R212 K218 | G211-E215 WeakPolarHBondContact O-CG 3.46Å; G211-E215 PolarHBondContact O-N 2.92Å; R212-E215 IonicContact NE-OE2 3.76Å; R212-E215 PolarHBondContact O-N 3.12Å; E215-K218 WeakPolarHBondContact O-CB 3.5Å; E215-K218 PolarHBondContact O-N 3.41Å |
| 216 | L | 97.3 | Very high | 97.1 | Very high | 14 Ų | 14 | 76.7 Ų | 76.7 | 7% | 0.073 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 177.4 | -71.1 | 169.8 | 0 | 0 | 0 | 111.7 | P120 R212 K218 V219 G220 E221 P223 | P120-L216 HydrophobicContact CG-CD2 4.16Å; R212-L216 WeakPolarHBondContact O-CG 3.38Å; R212-L216 PolarHBondContact O-N 2.85Å; L216-K218 VanDerWaalsContact C-N 3.27Å; L216-K218 PolarHBondContact O-N 3.4Å; L216-V219 CarbonylContact O-C 3.31Å; L216-V219 WeakPolarHBondContact O-CG2 3.32Å; L216-V219 PolarHBondContact O-N 3.28Å; L216-G220 PolarHBondContact O-N 2.86Å; L216-G220 VanDerWaalsContact O-N 3.15Å; L216-E221 CarbonylContact C-O 3.57Å; L216-E221 VanDerWaalsContact C-O 3.31Å; L216-E221 HydrophobicContact CB-CB 4.47Å; L216-E221 WeakPolarHBondContact CB-O 3.48Å; L216-E221 HydrophobicContact CD2-CB 4.04Å; L216-E221 PolarHBondContact O-N 3.09Å; L216-P223 HydrophobicContact CD1-CG 3.86Å |
| 217 | S | 96.8 | Very high | 97.1 | Very high | 84 Ų | 84 | 79.4 Ų | 79.4 | 59% | 0.587 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.4 | -35.6 | 178 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | L213 V219 G220 | L213-S217 VanDerWaalsContact O-CB 3.27Å; L213-S217 WeakPolarHBondContact O-CB 3.33Å; L213-S217 PolarHBondContact O-N 2.76Å; S217-V219 PolarHBondContact O-N 2.62Å; S217-G220 PolarHBondContact O-N 2.87Å; S217-G220 VanDerWaalsContact O-N 3.09Å |
| 218 | K | 97.2 | Very high | 97.2 | Very high | 173 Ų | 173 | 81.5 Ų | 81.5 | 75% | 0.752 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.8 | -28.4 | 176 | -73.6 | 167.7 | -173.3 | 174.9 | 0 | 113.4 | L214 E215 L216 | L214-K218 VanDerWaalsContact O-CG 3.32Å; L214-K218 WeakPolarHBondContact O-CG 3.49Å; L214-K218 PolarHBondContact O-N 3.12Å; E215-K218 WeakPolarHBondContact O-CB 3.5Å; E215-K218 PolarHBondContact O-N 3.41Å; L216-K218 VanDerWaalsContact C-N 3.27Å; L216-K218 PolarHBondContact O-N 3.4Å |
| 219 | V | 96.3 | Very high | 97.3 | Very high | 105 Ų | 105 | 75 Ų | 75 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 8 | 179 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | L216 S217 E221 | L216-V219 CarbonylContact O-C 3.31Å; L216-V219 WeakPolarHBondContact O-CG2 3.32Å; L216-V219 PolarHBondContact O-N 3.28Å; S217-V219 PolarHBondContact O-N 2.62Å; V219-E221 VanDerWaalsContact C-N 3.3Å; V219-E221 HydrophobicContact CG2-CB 4.12Å; V219-E221 HydrophobicContact CG2-CG 4.04Å; V219-E221 PolarHBondContact O-N 2.82Å |
| 220 | G | 97.2 | Very high | 97.4 | Very high | 72 Ų | 72 | 74.5 Ų | 74.5 | 74% | 0.742 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 25.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L216 S217 | L216-G220 PolarHBondContact O-N 2.86Å; L216-G220 VanDerWaalsContact O-N 3.15Å; S217-G220 PolarHBondContact O-N 2.87Å; S217-G220 VanDerWaalsContact O-N 3.09Å |
| 221 | E | 97.2 | Very high | 97.4 | Very high | 58 Ų | 58 | 72.4 Ų | 72.4 | 27% | 0.271 | 39% | 0.391 | S | S | . | . | trans | -109.9 | 167.9 | 176.8 | -64 | -157.4 | 143.8 | 0 | 0 | 112.2 | P120 R124 L216 V219 | P120-E221 WeakPolarHBondContact CB-OE2 3.33Å; P120-E221 WeakPolarHBondContact CD-OE2 3.22Å; P120-E221 HydrophobicContact CG-CB 4.28Å; P120-E221 WeakPolarHBondContact CG-OE2 3.42Å; R124-E221 IonicContact CZ-OE1 3.57Å; R124-E221 IonicContact NH1-OE1 3.69Å; R124-E221 PolarHBondContact NH1-OE1 2.7Å; R124-E221 IonicContact NH1-OE2 3.44Å; R124-E221 IonicContact NH2-OE1 2.66Å; R124-E221 PolarHBondContact NH2-OE1 2.75Å; L216-E221 CarbonylContact C-O 3.57Å; L216-E221 VanDerWaalsContact C-O 3.31Å; L216-E221 HydrophobicContact CB-CB 4.47Å; L216-E221 WeakPolarHBondContact CB-O 3.48Å; L216-E221 HydrophobicContact CD2-CB 4.04Å; L216-E221 PolarHBondContact O-N 3.09Å; V219-E221 VanDerWaalsContact C-N 3.3Å; V219-E221 HydrophobicContact CG2-CB 4.12Å; V219-E221 HydrophobicContact CG2-CG 4.04Å; V219-E221 PolarHBondContact O-N 2.82Å | ||
| 222 | E | 97.7 | Very high | 97.5 | Very high | 111 Ų | 111 | 70.9 Ų | 70.9 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | trans | -136.2 | 158.2 | 177.9 | 61.3 | -178.9 | -176.7 | 0 | 0 | 109.3 | P120 K228 | P120-E222 WeakPolarHBondContact CG-O 3.39Å; E222-K228 IonicContact OE1-NZ 2.72Å; E222-K228 PolarHBondContact OE1-NZ 2.87Å | ||
| 223 | P | 98.2 | Very high | 97.7 | Very high | 18 Ų | 18 | 66.5 Ų | 66.5 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 143.1 | 168.9 | -24.8 | 34.6 | 0 | 0 | 0 | 111.1 | V117 V118 R207 L213 L216 D225 | V117-P223 CarbonylContact O-C 3.6Å; V117-P223 VanDerWaalsContact O-CA 3.24Å; V117-P223 WeakPolarHBondContact O-CA 3.34Å; V118-P223 HydrophobicContact CG1-CB 4.46Å; V118-P223 HydrophobicContact CG1-CG 4.48Å; R207-P223 HydrophobicContact CG-CB 4.22Å; L213-P223 HydrophobicContact CD2-CG 3.63Å; L216-P223 HydrophobicContact CD1-CG 3.86Å; P223-D225 PolarHBondContact O-N 3.35Å |
| 224 | I | 98.5 | Very high | 97.7 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 7% | 0.072 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 123.2 | -177.8 | -65.2 | -59.2 | 0 | 0 | 0 | 110.1 | F115 V117 P120 F123 R207 A229 | F115-I224 HydrophobicContact CE2-CB 4.02Å; F115-I224 HydrophobicContact CE2-CG1 4.17Å; F115-I224 HydrophobicContact CE2-CG2 3.88Å; F115-I224 HydrophobicContact CZ-CG2 4.32Å; V117-I224 PolarHBondContact O-N 3.33Å; P120-I224 HydrophobicContact CB-CD1 3.62Å; P120-I224 HydrophobicContact CB-CG1 4.34Å; P120-I224 HydrophobicContact CG-CD1 4.02Å; P120-I224 HydrophobicContact CG-CG1 4.4Å; F123-I224 HydrophobicContact CB-CD1 3.83Å; F123-I224 HydrophobicContact CB-CG1 3.82Å; F123-I224 HydrophobicContact CD1-CD1 3.89Å; F123-I224 HydrophobicContact CD1-CG1 4.49Å; F123-I224 HydrophobicContact CD1-CG2 4.48Å; F123-I224 HydrophobicContact CD2-CG1 4.48Å; F123-I224 HydrophobicContact CD2-CG2 3.98Å; F123-I224 HydrophobicContact CE2-CG2 4.09Å; F123-I224 HydrophobicContact CG-CD1 3.91Å; F123-I224 HydrophobicContact CG-CG1 4.03Å; F123-I224 HydrophobicContact CG-CG2 4.17Å; F123-I224 HydrophobicContact CZ-CG2 4.38Å; R207-I224 VanDerWaalsContact CZ-O 3.24Å; R207-I224 PolarHBondContact NH1-O 3.45Å; R207-I224 PolarHBondContact NH2-O 2.99Å; I224-A229 HydrophobicContact CG2-CB 4.2Å |
| 225 | D | 97.3 | Very high | 97.7 | Very high | 65 Ų | 65 | 67.3 Ų | 67.3 | 35% | 0.348 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 146.2 | 176.5 | -168.5 | 28.4 | 0 | 0 | 0 | 111.8 | P223 E227 K228 A229 | P223-D225 PolarHBondContact O-N 3.35Å; D225-E227 VanDerWaalsContact C-N 3.31Å; D225-E227 VanDerWaalsContact CG-OE2 3.25Å; D225-E227 PolarHBondContact O-N 3.21Å; D225-K228 HydrophobicContact CB-CB 4.31Å; D225-K228 HydrophobicContact CB-CD 3.85Å; D225-K228 HydrophobicContact CB-CG 3.98Å; D225-K228 WeakPolarHBondContact O-CB 3.36Å; D225-K228 PolarHBondContact O-N 2.98Å; D225-A229 PolarHBondContact O-N 2.78Å; D225-A229 VanDerWaalsContact O-N 3.17Å |
| 226 | K | 97.5 | Very high | 97.8 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | -172.2 | -164.5 | -168.4 | -179.9 | -124.5 | 0 | 110.5 | K228 A229 E230 Y241 | K226-K228 VanDerWaalsContact C-N 3.33Å; K226-K228 PolarHBondContact O-N 2.77Å; K226-A229 WeakPolarHBondContact O-CB 3.18Å; K226-A229 PolarHBondContact O-N 2.76Å; K226-A229 VanDerWaalsContact O-N 3.11Å; K226-E230 VanDerWaalsContact CE-OE1 3.29Å; K226-E230 WeakPolarHBondContact CE-OE1 3.33Å; K226-E230 IonicContact NZ-OE1 3.57Å; K226-E230 PolarHBondContact NZ-OE1 2.86Å; K226-E230 WeakPolarHBondContact O-CG 3.34Å; K226-E230 PolarHBondContact O-N 2.86Å; K226-Y241 HydrophobicContact CG-CE1 3.8Å |
| 227 | E | 98 | Very high | 97.8 | Very high | 96 Ų | 96 | 63.1 Ų | 63.1 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 179.3 | -70.5 | 70.4 | -164 | 0 | 0 | 110.6 | D225 A229 E230 C231 | D225-E227 VanDerWaalsContact C-N 3.31Å; D225-E227 VanDerWaalsContact CG-OE2 3.25Å; D225-E227 PolarHBondContact O-N 3.21Å; E227-A229 VanDerWaalsContact C-N 3.31Å; E227-A229 PolarHBondContact O-N 2.7Å; E227-E230 PolarHBondContact O-N 3.04Å; E227-C231 WeakPolarHBondContact O-CB 3.49Å; E227-C231 PolarHBondContact O-N 3.19Å; E227-C231 PolarHBondContact O-SG 2.66Å |
| 228 | K | 98.1 | Very high | 97.9 | Very high | 98 Ų | 98 | 59.9 Ų | 59.9 | 43% | 0.426 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 174.2 | -68.5 | 175 | -171.4 | 164.4 | 0 | 110.8 | F123 E222 D225 K226 L232 | F123-K228 WeakPolarHBondContact CZ-O 3.44Å; E222-K228 IonicContact OE1-NZ 2.72Å; E222-K228 PolarHBondContact OE1-NZ 2.87Å; D225-K228 HydrophobicContact CB-CB 4.31Å; D225-K228 HydrophobicContact CB-CD 3.85Å; D225-K228 HydrophobicContact CB-CG 3.98Å; D225-K228 WeakPolarHBondContact O-CB 3.36Å; D225-K228 PolarHBondContact O-N 2.98Å; K226-K228 VanDerWaalsContact C-N 3.33Å; K226-K228 PolarHBondContact O-N 2.77Å; K228-L232 PolarHBondContact O-N 2.99Å; K228-L232 VanDerWaalsContact O-N 3.14Å |
| 229 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.2 | -40.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F115 F123 L199 I224 D225 K226 E227 C231 L232 A233 Y241 | F115-A229 HydrophobicContact CE1-CB 4.4Å; F115-A229 HydrophobicContact CZ-CB 3.8Å; F123-A229 HydrophobicContact CE2-CB 3.92Å; F123-A229 HydrophobicContact CZ-CB 4.5Å; L199-A229 HydrophobicContact CD2-CB 4.42Å; L199-A229 WeakPolarHBondContact CD2-O 3.41Å; I224-A229 HydrophobicContact CG2-CB 4.2Å; D225-A229 PolarHBondContact O-N 2.78Å; D225-A229 VanDerWaalsContact O-N 3.17Å; K226-A229 WeakPolarHBondContact O-CB 3.18Å; K226-A229 PolarHBondContact O-N 2.76Å; K226-A229 VanDerWaalsContact O-N 3.11Å; E227-A229 VanDerWaalsContact C-N 3.31Å; E227-A229 PolarHBondContact O-N 2.7Å; A229-C231 VanDerWaalsContact C-N 3.33Å; A229-C231 PolarHBondContact O-N 2.74Å; A229-L232 PolarHBondContact O-N 2.8Å; A229-A233 PolarHBondContact O-N 3.18Å; A229-Y241 HydrophobicContact CB-CD1 4.24Å; A229-Y241 HydrophobicContact CB-CD2 4.26Å; A229-Y241 HydrophobicContact CB-CE1 3.62Å; A229-Y241 HydrophobicContact CB-CE2 3.71Å; A229-Y241 WeakPolarHBondContact CB-OH 3.45Å |
| 230 | E | 98.6 | Very high | 98 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 173.4 | -72 | 177.6 | 178.4 | 0 | 0 | 111.8 | K226 E227 L232 A233 I234 Y241 | K226-E230 VanDerWaalsContact CE-OE1 3.29Å; K226-E230 WeakPolarHBondContact CE-OE1 3.33Å; K226-E230 IonicContact NZ-OE1 3.57Å; K226-E230 PolarHBondContact NZ-OE1 2.86Å; K226-E230 WeakPolarHBondContact O-CG 3.34Å; K226-E230 PolarHBondContact O-N 2.86Å; E227-E230 PolarHBondContact O-N 3.04Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 3.47Å; E230-A233 WeakPolarHBondContact O-CB 3.41Å; E230-A233 PolarHBondContact O-N 2.8Å; E230-I234 WeakPolarHBondContact O-CG1 3.45Å; E230-I234 PolarHBondContact O-N 3.24Å; E230-Y241 HydrophobicContact CG-CD1 3.59Å; E230-Y241 HydrophobicContact CG-CE1 4.28Å; E230-Y241 HydrophobicContact CG-CG 4.42Å |
| 231 | C | 98.5 | Very high | 98 | Very high | 83 Ų | 83 | 49.1 Ų | 49.1 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 174.1 | -70.6 | 0 | 0 | 0 | 0 | 111.8 | E227 A229 I234 E235 | E227-C231 WeakPolarHBondContact O-CB 3.49Å; E227-C231 PolarHBondContact O-N 3.19Å; E227-C231 PolarHBondContact O-SG 2.66Å; A229-C231 VanDerWaalsContact C-N 3.33Å; A229-C231 PolarHBondContact O-N 2.74Å; C231-I234 PolarHBondContact O-N 2.8Å; C231-E235 WeakPolarHBondContact O-CB 2.99Å; C231-E235 PolarHBondContact O-N 3.36Å |
| 232 | L | 98.5 | Very high | 98.1 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -39.6 | 176.5 | 179.3 | 62.4 | 0 | 0 | 0 | 111.9 | F123 L126 K127 L199 K228 A229 E230 I234 E235 L236 | F123-L232 HydrophobicContact CD2-CD2 3.94Å; F123-L232 HydrophobicContact CE1-CD2 4.16Å; F123-L232 HydrophobicContact CE2-CB 3.99Å; F123-L232 HydrophobicContact CE2-CD2 3.37Å; F123-L232 HydrophobicContact CE2-CG 4.29Å; F123-L232 HydrophobicContact CZ-CB 3.64Å; F123-L232 HydrophobicContact CZ-CD2 3.5Å; F123-L232 VanDerWaalsContact CZ-CD2 3.5Å; F123-L232 HydrophobicContact CZ-CG 4.18Å; L126-L232 HydrophobicContact CB-CD2 4.17Å; L126-L232 HydrophobicContact CD1-CD2 3.81Å; K127-L232 HydrophobicContact CD-CD1 3.4Å; K127-L232 HydrophobicContact CG-CD1 3.43Å; K127-L232 VanDerWaalsContact CG-CD1 3.43Å; L199-L232 HydrophobicContact CD2-CB 4.37Å; L199-L232 HydrophobicContact CD2-CG 4.47Å; K228-L232 PolarHBondContact O-N 2.99Å; K228-L232 VanDerWaalsContact O-N 3.14Å; A229-L232 PolarHBondContact O-N 2.8Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 3.47Å; L232-I234 VanDerWaalsContact C-N 3.29Å; L232-I234 PolarHBondContact O-N 3.06Å; L232-E235 PolarHBondContact O-N 3.3Å; L232-L236 HydrophobicContact CD1-CD1 3.87Å; L232-L236 HydrophobicContact CD1-CD2 4.36Å; L232-L236 HydrophobicContact CD1-CG 3.82Å; L232-L236 HydrophobicContact CD2-CD1 4.44Å; L232-L236 HydrophobicContact CG-CD1 3.95Å; L232-L236 HydrophobicContact CG-CG 4.24Å; L232-L236 WeakPolarHBondContact O-CG 3.29Å; L232-L236 PolarHBondContact O-N 2.76Å |
| 233 | A | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 43 Ų | 43 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -44.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L199 A229 E230 L236 G237 A238 | L199-A233 HydrophobicContact CB-CB 4.02Å; L199-A233 HydrophobicContact CD2-CB 3.78Å; A229-A233 PolarHBondContact O-N 3.18Å; E230-A233 WeakPolarHBondContact O-CB 3.41Å; E230-A233 PolarHBondContact O-N 2.8Å; A233-L236 PolarHBondContact O-N 2.62Å; A233-G237 PolarHBondContact O-N 2.79Å; A233-G237 VanDerWaalsContact O-N 3.15Å; A233-A238 HydrophobicContact CB-CB 4.12Å; A233-A238 WeakPolarHBondContact O-CB 3.39Å; A233-A238 PolarHBondContact O-N 2.88Å |
| 234 | I | 98.4 | Very high | 98.2 | Very high | 130 Ų | 130 | 42.2 Ų | 42.2 | 67% | 0.667 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -63.7 | -46.4 | 175.2 | -64.4 | 165.7 | 0 | 0 | 0 | 110.9 | E230 C231 L232 L236 G237 | E230-I234 WeakPolarHBondContact O-CG1 3.45Å; E230-I234 PolarHBondContact O-N 3.24Å; C231-I234 PolarHBondContact O-N 2.8Å; L232-I234 VanDerWaalsContact C-N 3.29Å; L232-I234 PolarHBondContact O-N 3.06Å; I234-L236 VanDerWaalsContact C-N 3.26Å; I234-L236 PolarHBondContact O-N 3.38Å; I234-G237 PolarHBondContact O-N 3.45Å |
| 235 | E | 97.9 | Very high | 98.2 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 28% | 0.28 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.3 | -35.7 | 179 | -175 | -178.5 | 174.5 | 0 | 0 | 112.5 | K127 T148 C231 L232 | K127-E235 WeakPolarHBondContact CD-OE1 3.5Å; K127-E235 IonicContact NZ-OE1 2.71Å; K127-E235 PolarHBondContact NZ-OE1 3.4Å; K127-E235 IonicContact NZ-OE2 3.21Å; K127-E235 PolarHBondContact NZ-OE2 3.2Å; T148-E235 HydrophobicContact CG2-CG 4.02Å; T148-E235 PolarHBondContact OG1-O 3.36Å; C231-E235 WeakPolarHBondContact O-CB 2.99Å; C231-E235 PolarHBondContact O-N 3.36Å; L232-E235 PolarHBondContact O-N 3.3Å |
| 236 | L | 97.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1 | 178.2 | -61.4 | -177.4 | 0 | 0 | 0 | 113.8 | L113 K127 L131 N142 T148 L232 A233 I234 A238 | L113-L236 HydrophobicContact CD1-CD1 3.89Å; K127-L236 HydrophobicContact CG-CD2 4.44Å; L131-L236 HydrophobicContact CD1-CD2 4.34Å; L131-L236 HydrophobicContact CD2-CD2 3.79Å; N142-L236 PolarHBondContact ND2-O 3.46Å; N142-L236 PolarHBondContact OD1-O 3.16Å; T148-L236 HydrophobicContact CG2-CD2 4.14Å; L232-L236 HydrophobicContact CD1-CD1 3.87Å; L232-L236 HydrophobicContact CD1-CD2 4.36Å; L232-L236 HydrophobicContact CD1-CG 3.82Å; L232-L236 HydrophobicContact CD2-CD1 4.44Å; L232-L236 HydrophobicContact CG-CD1 3.95Å; L232-L236 HydrophobicContact CG-CG 4.24Å; L232-L236 WeakPolarHBondContact O-CG 3.29Å; L232-L236 PolarHBondContact O-N 2.76Å; A233-L236 PolarHBondContact O-N 2.62Å; I234-L236 VanDerWaalsContact C-N 3.26Å; I234-L236 PolarHBondContact O-N 3.38Å; L236-A238 VanDerWaalsContact C-N 3.27Å; L236-A238 PolarHBondContact O-N 3.39Å |
| 237 | G | 97.3 | Very high | 98.1 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 32% | 0.32 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 30.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A233 I234 | A233-G237 PolarHBondContact O-N 2.79Å; A233-G237 VanDerWaalsContact O-N 3.15Å; I234-G237 PolarHBondContact O-N 3.45Å |
| 238 | A | 98.1 | Very high | 98.1 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 13% | 0.132 | 22% | 0.223 | C | C | . | . | trans | -70.7 | 140.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F197 L199 A233 L236 A240 | F197-A238 HydrophobicContact CB-CB 4.03Å; F197-A238 CarbonylContact O-C 3.54Å; F197-A238 VanDerWaalsContact O-CA 3.24Å; F197-A238 WeakPolarHBondContact O-CA 3.48Å; F197-A238 WeakPolarHBondContact O-CB 3.32Å; L199-A238 HydrophobicContact CB-CB 4.39Å; A233-A238 HydrophobicContact CB-CB 4.12Å; A233-A238 WeakPolarHBondContact O-CB 3.39Å; A233-A238 PolarHBondContact O-N 2.88Å; L236-A238 VanDerWaalsContact C-N 3.27Å; L236-A238 PolarHBondContact O-N 3.39Å; A238-A240 VanDerWaalsContact C-N 3.29Å; A238-A240 PolarHBondContact O-N 3.47Å | ||
| 239 | E | 97.1 | Very high | 98 | Very high | 91 Ų | 91 | 39.8 Ų | 39.8 | 43% | 0.425 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -70.4 | -29.4 | -178.6 | -170.7 | 85.3 | -178.3 | 0 | 0 | 111.3 | I196 F197 L198 W261 K265 | I196-E239 HydrophobicContact CG2-CB 3.71Å; F197-E239 PolarHBondContact O-N 3.27Å; L198-E239 HydrophobicContact CD2-CB 4.14Å; E239-W261 HydrophobicContact CG-CZ3 3.99Å; E239-K265 IonicContact OE1-NZ 3.11Å; E239-K265 PolarHBondContact OE1-NZ 3.17Å; E239-K265 IonicContact OE2-NZ 3.31Å; E239-K265 PolarHBondContact OE2-NZ 2.88Å |
| 240 | A | 98.1 | Very high | 98 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 13% | 0.132 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 159.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L198 L199 A238 L258 | L198-A240 HydrophobicContact CD2-CB 3.96Å; L199-A240 PolarHBondContact N-O 3.45Å; A238-A240 VanDerWaalsContact C-N 3.29Å; A238-A240 PolarHBondContact O-N 3.47Å; A240-L258 HydrophobicContact CB-CD1 4.15Å |
| 241 | Y | 98.7 | Very high | 98 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 7% | 0.067 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.9 | 164.5 | 169.9 | -122.2 | 0 | 0 | 0 | 110.1 | F115 L199 K226 A229 E230 E243 | F115-Y241 AromaticContact CE1-CE2 3.73Å; F115-Y241 HydrophobicContact CE1-CE2 3.73Å; F115-Y241 AromaticContact CZ-CE2 3.81Å; F115-Y241 HydrophobicContact CZ-CE2 3.81Å; L199-Y241 HydrophobicContact CB-CD2 4.03Å; L199-Y241 HydrophobicContact CD2-CD2 3.77Å; L199-Y241 HydrophobicContact CD2-CE2 4.31Å; L199-Y241 HydrophobicContact CD2-CG 4.4Å; L199-Y241 HydrophobicContact CG-CD2 3.8Å; L199-Y241 HydrophobicContact CG-CE2 4.36Å; L199-Y241 VanDerWaalsContact O-CA 3.31Å; L199-Y241 WeakPolarHBondContact O-CA 3.39Å; L199-Y241 WeakPolarHBondContact O-CD2 3.43Å; K226-Y241 HydrophobicContact CG-CE1 3.8Å; A229-Y241 HydrophobicContact CB-CD1 4.24Å; A229-Y241 HydrophobicContact CB-CD2 4.26Å; A229-Y241 HydrophobicContact CB-CE1 3.62Å; A229-Y241 HydrophobicContact CB-CE2 3.71Å; A229-Y241 WeakPolarHBondContact CB-OH 3.45Å; E230-Y241 HydrophobicContact CG-CD1 3.59Å; E230-Y241 HydrophobicContact CG-CE1 4.28Å; E230-Y241 HydrophobicContact CG-CG 4.42Å; Y241-E243 HydrophobicContact CE1-CG 4Å; Y241-E243 HydrophobicContact CE2-CG 4.3Å; Y241-E243 WeakPolarHBondContact OH-CG 3.36Å; Y241-E243 PolarHBondContact OH-OE1 3.46Å |
| 242 | V | 98.7 | Very high | 97.9 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 9% | 0.085 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 127.5 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | L199 I200 G201 N251 T254 V255 L258 | L199-V242 PolarHBondContact O-N 3.42Å; I200-V242 CarbonylContact C-O 3.57Å; I200-V242 WeakPolarHBondContact CA-O 3.39Å; I200-V242 HydrophobicContact CD1-CB 4.34Å; G201-V242 PolarHBondContact N-O 2.87Å; V242-N251 HydrophobicContact CG1-CB 3.87Å; V242-T254 HydrophobicContact CG1-CG2 4.45Å; V242-V255 HydrophobicContact CB-CG2 4.15Å; V242-V255 HydrophobicContact CG1-CG2 3.76Å; V242-L258 HydrophobicContact CG2-CD1 3.52Å |
| 243 | E | 98.6 | Very high | 97.8 | Very high | 27 Ų | 27 | 48.2 Ų | 48.2 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 133 | 163.4 | -70.5 | -168.2 | -176.6 | 0 | 0 | 110.8 | V117 G201 C204 R207 Y241 N251 | V117-E243 HydrophobicContact CG1-CG 4.24Å; G201-E243 CarbonylContact O-C 3.58Å; G201-E243 VanDerWaalsContact O-CA 3.26Å; G201-E243 WeakPolarHBondContact O-CA 3.4Å; C204-E243 HydrophobicContact CB-CB 3.98Å; R207-E243 IonicContact CZ-OE1 2.76Å; R207-E243 IonicContact NE-OE2 3.66Å; R207-E243 IonicContact NH2-OE1 3.4Å; R207-E243 PolarHBondContact NH2-OE1 3.15Å; R207-E243 IonicContact NH2-OE2 3.02Å; Y241-E243 HydrophobicContact CE1-CG 4Å; Y241-E243 HydrophobicContact CE2-CG 4.3Å; Y241-E243 WeakPolarHBondContact OH-CG 3.36Å; Y241-E243 PolarHBondContact OH-OE1 3.46Å; E243-N251 WeakPolarHBondContact O-CB 3.4Å; E243-N251 PolarHBondContact O-ND2 2.83Å |
| 244 | C | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 159.6 | -179.7 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | I200 G201 C202 A203 C204 K250 N251 V255 | I200-C244 VanDerWaalsContact CG2-SG 3.55Å; G201-C244 PolarHBondContact O-N 3.23Å; C202-C244 CarbonylContact C-O 3.49Å; A203-C244 PolarHBondContact N-O 3.47Å; C204-C244 PolarHBondContact N-O 3.22Å; C204-C244 PolarHBondContact SG-O 3.22Å; C244-K250 VanDerWaalsContact CA-O 3.25Å; C244-K250 WeakPolarHBondContact CA-O 3.24Å; C244-K250 WeakPolarHBondContact CB-O 3.49Å; C244-N251 HydrophobicContact CB-CB 4.2Å; C244-V255 HydrophobicContact CB-CG2 3.96Å |
| 245 | S | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -127.8 | 117 | 171.5 | 171.8 | 0 | 0 | 0 | 0 | 108.5 | D205 L247 T248 Q249 K250 | D205-S245 WeakPolarHBondContact OD1-CB 3.43Å; D205-S245 PolarHBondContact OD1-OG 2.65Å; S245-L247 PolarHBondContact O-N 3.09Å; S245-L247 PolarHBondContact OG-N 3.49Å; S245-T248 WeakPolarHBondContact CB-OG1 3.25Å; S245-T248 PolarHBondContact OG-N 3.43Å; S245-T248 PolarHBondContact OG-OG1 3.06Å; S245-Q249 CarbonylContact O-C 3.41Å; S245-Q249 WeakPolarHBondContact O-CA 3.36Å; S245-Q249 PolarHBondContact O-N 3.29Å; S245-K250 PolarHBondContact N-O 3.5Å; S245-K250 PolarHBondContact O-N 3.03Å | ||
| 246 | A | 98 | Very high | 97.9 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -29.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S51 S55 Y61 | S51-A246 WeakPolarHBondContact O-CB 3.48Å; S55-A246 WeakPolarHBondContact CB-O 3.42Å; S55-A246 PolarHBondContact OG-O 3.15Å; Y61-A246 HydrophobicContact CD2-CB 4.02Å; Y61-A246 HydrophobicContact CE2-CB 3.9Å |
| 247 | L | 96.6 | Very high | 97.9 | Very high | 93 Ų | 93 | 44.6 Ų | 44.6 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -47.1 | -178.9 | 177.9 | 63.2 | 0 | 0 | 0 | 112.1 | Y61 S245 | Y61-L247 HydrophobicContact CD1-CD1 3.91Å; Y61-L247 HydrophobicContact CD2-CB 4.12Å; Y61-L247 HydrophobicContact CD2-CD1 4.37Å; Y61-L247 HydrophobicContact CE1-CD1 4.14Å; Y61-L247 HydrophobicContact CE2-CB 3.91Å; Y61-L247 HydrophobicContact CG-CD1 4.02Å; S245-L247 PolarHBondContact O-N 3.09Å; S245-L247 PolarHBondContact OG-N 3.49Å |
| 248 | T | 96.6 | Very high | 97.9 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 52% | 0.515 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -0.3 | -179.5 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | D205 S245 K250 | D205-T248 HydrophobicContact CB-CG2 3.98Å; S245-T248 WeakPolarHBondContact CB-OG1 3.25Å; S245-T248 PolarHBondContact OG-N 3.43Å; S245-T248 PolarHBondContact OG-OG1 3.06Å; T248-K250 PolarHBondContact O-N 3.06Å; T248-K250 VanDerWaalsContact O-N 3.09Å |
| 249 | Q | 96.9 | Very high | 97.9 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 42% | 0.421 | 23% | 0.228 | S | C | . | . | trans | 57.3 | 14.7 | -172.5 | -56.6 | -176.1 | -23.8 | 0 | 0 | 114.8 | S245 N251 L252 | S245-Q249 CarbonylContact O-C 3.41Å; S245-Q249 WeakPolarHBondContact O-CA 3.36Å; S245-Q249 PolarHBondContact O-N 3.29Å; Q249-N251 PolarHBondContact O-N 2.94Å; Q249-L252 HydrophobicContact CB-CB 4.4Å; Q249-L252 HydrophobicContact CB-CD2 4.16Å; Q249-L252 HydrophobicContact CG-CD2 4.06Å; Q249-L252 WeakPolarHBondContact O-CB 3.37Å; Q249-L252 PolarHBondContact O-N 3Å | ||
| 250 | K | 98.2 | Very high | 97.9 | Very high | 112 Ų | 112 | 40.8 Ų | 40.8 | 49% | 0.487 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 124.7 | 176.3 | -177.9 | 179 | 174.8 | -174.4 | 0 | 110.4 | C244 S245 T248 L252 | C244-K250 VanDerWaalsContact CA-O 3.25Å; C244-K250 WeakPolarHBondContact CA-O 3.24Å; C244-K250 WeakPolarHBondContact CB-O 3.49Å; S245-K250 PolarHBondContact N-O 3.5Å; S245-K250 PolarHBondContact O-N 3.03Å; T248-K250 PolarHBondContact O-N 3.06Å; T248-K250 VanDerWaalsContact O-N 3.09Å; K250-L252 PolarHBondContact O-N 3.41Å; K250-L252 VanDerWaalsContact O-N 3.09Å |
| 251 | N | 98.3 | Very high | 97.9 | Very high | 66 Ų | 66 | 46.3 Ų | 46.3 | 35% | 0.353 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 14.2 | -179.2 | -63.4 | -22.2 | 0 | 0 | 0 | 115.2 | V242 E243 C244 Q249 K253 T254 V255 | V242-N251 HydrophobicContact CG1-CB 3.87Å; E243-N251 WeakPolarHBondContact O-CB 3.4Å; E243-N251 PolarHBondContact O-ND2 2.83Å; C244-N251 HydrophobicContact CB-CB 4.2Å; Q249-N251 PolarHBondContact O-N 2.94Å; N251-K253 PolarHBondContact O-N 2.86Å; N251-T254 WeakPolarHBondContact O-CB 3.43Å; N251-T254 PolarHBondContact O-N 3.37Å; N251-V255 WeakPolarHBondContact O-CG2 3.11Å; N251-V255 PolarHBondContact O-N 3.38Å |
| 252 | L | 97.5 | Very high | 97.8 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.5 | -51.5 | -179.4 | -178.4 | 66.4 | 0 | 0 | 0 | 111.3 | L52 S55 Y56 Q249 K250 T254 V255 F256 | L52-L252 HydrophobicContact CD1-CD1 3.43Å; L52-L252 VanDerWaalsContact CD1-CD1 3.43Å; L52-L252 HydrophobicContact CG-CD1 4.23Å; S55-L252 VanDerWaalsContact OG-CD2 3.3Å; S55-L252 WeakPolarHBondContact OG-CD2 3.28Å; Y56-L252 HydrophobicContact CD2-CG 4.37Å; Q249-L252 HydrophobicContact CB-CB 4.4Å; Q249-L252 HydrophobicContact CB-CD2 4.16Å; Q249-L252 HydrophobicContact CG-CD2 4.06Å; Q249-L252 WeakPolarHBondContact O-CB 3.37Å; Q249-L252 PolarHBondContact O-N 3Å; K250-L252 PolarHBondContact O-N 3.41Å; K250-L252 VanDerWaalsContact O-N 3.09Å; L252-T254 VanDerWaalsContact C-N 3.31Å; L252-T254 PolarHBondContact O-N 3.34Å; L252-V255 PolarHBondContact O-N 3.09Å; L252-F256 HydrophobicContact CD1-CD2 4.43Å; L252-F256 HydrophobicContact CD1-CE2 4.05Å; L252-F256 WeakPolarHBondContact O-CD2 3.46Å; L252-F256 PolarHBondContact O-N 2.84Å |
| 253 | K | 96.5 | Very high | 97.7 | Very high | 132 Ų | 132 | 44.8 Ų | 44.8 | 57% | 0.574 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -59.7 | -41.5 | 175.8 | -166 | -169.5 | -174.9 | -55.8 | 0 | 111.7 | N251 V255 F256 D257 | N251-K253 PolarHBondContact O-N 2.86Å; K253-V255 VanDerWaalsContact C-N 3.32Å; K253-V255 PolarHBondContact O-N 3.04Å; K253-F256 PolarHBondContact O-N 3.23Å; K253-D257 IonicContact NZ-OD1 2.62Å; K253-D257 PolarHBondContact NZ-OD1 3.5Å; K253-D257 IonicContact NZ-OD2 2.88Å; K253-D257 PolarHBondContact NZ-OD2 3.05Å; K253-D257 WeakPolarHBondContact O-CB 3.34Å; K253-D257 PolarHBondContact O-N 3.17Å |
| 254 | T | 98.2 | Very high | 97.6 | Very high | 59 Ų | 59 | 44.4 Ų | 44.4 | 36% | 0.362 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.5 | -42.2 | 179.6 | -51.7 | 0 | 0 | 0 | 0 | 112.2 | V242 N251 L252 L258 | V242-T254 HydrophobicContact CG1-CG2 4.45Å; N251-T254 WeakPolarHBondContact O-CB 3.43Å; N251-T254 PolarHBondContact O-N 3.37Å; L252-T254 VanDerWaalsContact C-N 3.31Å; L252-T254 PolarHBondContact O-N 3.34Å; T254-L258 HydrophobicContact CG2-CD1 4.12Å; T254-L258 WeakPolarHBondContact O-CB 3.27Å; T254-L258 VanDerWaalsContact O-CG 3.31Å; T254-L258 WeakPolarHBondContact O-CG 3.43Å; T254-L258 PolarHBondContact O-N 3.13Å |
| 255 | V | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -49.5 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 111 | L52 L112 I200 V242 C244 N251 L252 K253 A259 | L52-V255 HydrophobicContact CD2-CG1 4.26Å; L112-V255 HydrophobicContact CD2-CG1 3.84Å; I200-V255 HydrophobicContact CD1-CB 4.47Å; I200-V255 HydrophobicContact CD1-CG1 3.74Å; I200-V255 HydrophobicContact CD1-CG2 4.05Å; I200-V255 HydrophobicContact CG1-CG1 4.33Å; I200-V255 HydrophobicContact CG2-CG2 4.34Å; V242-V255 HydrophobicContact CB-CG2 4.15Å; V242-V255 HydrophobicContact CG1-CG2 3.76Å; C244-V255 HydrophobicContact CB-CG2 3.96Å; N251-V255 WeakPolarHBondContact O-CG2 3.11Å; N251-V255 PolarHBondContact O-N 3.38Å; L252-V255 PolarHBondContact O-N 3.09Å; K253-V255 VanDerWaalsContact C-N 3.32Å; K253-V255 PolarHBondContact O-N 3.04Å; V255-A259 PolarHBondContact O-N 3.42Å |
| 256 | F | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -77.2 | -33 | -176.7 | -71.1 | -77 | 0 | 0 | 0 | 113.1 | L52 Y56 L86 I88 L252 K253 L258 A259 I260 | L52-F256 HydrophobicContact CG-CE2 4.01Å; L52-F256 HydrophobicContact CG-CZ 4.23Å; Y56-F256 HydrophobicContact CD1-CB 4.44Å; Y56-F256 AromaticContact CD1-CD1 3.94Å; Y56-F256 HydrophobicContact CD1-CD1 3.94Å; Y56-F256 AromaticContact CD1-CD2 3.73Å; Y56-F256 HydrophobicContact CD1-CD2 3.73Å; Y56-F256 HydrophobicContact CD1-CE1 4.07Å; Y56-F256 AromaticContact CD1-CE2 3.88Å; Y56-F256 HydrophobicContact CD1-CE2 3.88Å; Y56-F256 AromaticContact CD1-CG 3.76Å; Y56-F256 HydrophobicContact CD1-CG 3.76Å; Y56-F256 HydrophobicContact CD1-CZ 4.04Å; Y56-F256 HydrophobicContact CD2-CB 4.05Å; Y56-F256 AromaticContact CD2-CD2 3.3Å; Y56-F256 HydrophobicContact CD2-CD2 3.3Å; Y56-F256 AromaticContact CD2-CE2 3.92Å; Y56-F256 HydrophobicContact CD2-CE2 3.92Å; Y56-F256 AromaticContact CD2-CG 3.79Å; Y56-F256 HydrophobicContact CD2-CG 3.79Å; Y56-F256 HydrophobicContact CE1-CB 4Å; Y56-F256 AromaticContact CE1-CD1 3.96Å; Y56-F256 HydrophobicContact CE1-CD1 3.96Å; Y56-F256 HydrophobicContact CE1-CD2 4.17Å; Y56-F256 HydrophobicContact CE1-CE1 4.5Å; Y56-F256 AromaticContact CE1-CG 3.77Å; Y56-F256 HydrophobicContact CE1-CG 3.77Å; Y56-F256 HydrophobicContact CE2-CB 3.56Å; Y56-F256 AromaticContact CE2-CD2 3.79Å; Y56-F256 HydrophobicContact CE2-CD2 3.79Å; Y56-F256 AromaticContact CE2-CG 3.8Å; Y56-F256 HydrophobicContact CE2-CG 3.8Å; Y56-F256 HydrophobicContact CG-CB 4.45Å; Y56-F256 HydrophobicContact CG-CD1 4.33Å; Y56-F256 AromaticContact CG-CD2 3.26Å; Y56-F256 HydrophobicContact CG-CD2 3.26Å; Y56-F256 HydrophobicContact CG-CE1 4.45Å; Y56-F256 AromaticContact CG-CE2 3.42Å; Y56-F256 HydrophobicContact CG-CE2 3.42Å; Y56-F256 VanDerWaalsContact CG-CE2 3.42Å; Y56-F256 AromaticContact CG-CG 3.76Å; Y56-F256 HydrophobicContact CG-CG 3.76Å; Y56-F256 HydrophobicContact CG-CZ 4.03Å; Y56-F256 AromaticContact CZ-CG 3.78Å; L86-F256 HydrophobicContact CD2-CD1 4.15Å; I88-F256 HydrophobicContact CD1-CD1 4.12Å; I88-F256 HydrophobicContact CD1-CE1 3.71Å; I88-F256 HydrophobicContact CD1-CZ 4.43Å; I88-F256 HydrophobicContact CG1-CE1 4.23Å; I88-F256 HydrophobicContact CG2-CE1 4.12Å; L252-F256 HydrophobicContact CD1-CD2 4.43Å; L252-F256 HydrophobicContact CD1-CE2 4.05Å; L252-F256 WeakPolarHBondContact O-CD2 3.46Å; L252-F256 PolarHBondContact O-N 2.84Å; K253-F256 PolarHBondContact O-N 3.23Å; F256-L258 VanDerWaalsContact C-N 3.34Å; F256-L258 PolarHBondContact O-N 3.25Å; F256-A259 PolarHBondContact O-N 3.09Å; F256-I260 WeakPolarHBondContact O-CB 3.31Å; F256-I260 VanDerWaalsContact O-CD1 3.31Å; F256-I260 WeakPolarHBondContact O-CD1 3.48Å; F256-I260 WeakPolarHBondContact O-CG1 3.45Å; F256-I260 PolarHBondContact O-N 3.21Å |
| 257 | D | 97.7 | Very high | 97 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 34% | 0.342 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.6 | -44.4 | 171 | -74.2 | -10.2 | 0 | 0 | 0 | 111.2 | K253 I260 W261 | K253-D257 IonicContact NZ-OD1 2.62Å; K253-D257 PolarHBondContact NZ-OD1 3.5Å; K253-D257 IonicContact NZ-OD2 2.88Å; K253-D257 PolarHBondContact NZ-OD2 3.05Å; K253-D257 WeakPolarHBondContact O-CB 3.34Å; K253-D257 PolarHBondContact O-N 3.17Å; D257-I260 PolarHBondContact O-N 3.25Å; D257-W261 WeakPolarHBondContact O-CB 3.03Å; D257-W261 PolarHBondContact O-N 2.97Å |
| 258 | L | 98.2 | Very high | 96.8 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 175.5 | -75.3 | 170.3 | 0 | 0 | 0 | 111.7 | L198 A240 V242 T254 F256 W261 C262 | L198-L258 HydrophobicContact CD1-CB 4.07Å; A240-L258 HydrophobicContact CB-CD1 4.15Å; V242-L258 HydrophobicContact CG2-CD1 3.52Å; T254-L258 HydrophobicContact CG2-CD1 4.12Å; T254-L258 WeakPolarHBondContact O-CB 3.27Å; T254-L258 VanDerWaalsContact O-CG 3.31Å; T254-L258 WeakPolarHBondContact O-CG 3.43Å; T254-L258 PolarHBondContact O-N 3.13Å; F256-L258 VanDerWaalsContact C-N 3.34Å; F256-L258 PolarHBondContact O-N 3.25Å; L258-W261 PolarHBondContact O-N 3Å; L258-C262 VanDerWaalsContact O-CB 3.31Å; L258-C262 WeakPolarHBondContact O-CB 3.3Å; L258-C262 PolarHBondContact O-N 3.22Å; L258-C262 PolarHBondContact O-SG 3.22Å |
| 259 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V110 L198 V255 F256 G263 | V110-A259 HydrophobicContact CG1-CB 4.31Å; V110-A259 WeakPolarHBondContact CG2-O 3.45Å; L198-A259 HydrophobicContact CD1-CB 4.11Å; V255-A259 PolarHBondContact O-N 3.42Å; F256-A259 PolarHBondContact O-N 3.09Å; A259-G263 PolarHBondContact O-N 3.39Å |
| 260 | I | 97.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 5% | 0.046 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.1 | -50.2 | 174.8 | -67.4 | 155.4 | 0 | 0 | 0 | 109.8 | V77 A79 V84 L86 F256 D257 C262 G263 L264 | V77-I260 HydrophobicContact CB-CD1 4.48Å; V77-I260 HydrophobicContact CG2-CD1 3.66Å; V77-I260 HydrophobicContact CG2-CG1 4.23Å; A79-I260 HydrophobicContact CB-CG2 3.84Å; V84-I260 HydrophobicContact CG1-CG2 4.34Å; V84-I260 HydrophobicContact CG2-CG2 4.4Å; L86-I260 HydrophobicContact CD1-CG1 4.16Å; L86-I260 HydrophobicContact CD2-CD1 4.18Å; L86-I260 HydrophobicContact CD2-CG1 3.96Å; F256-I260 WeakPolarHBondContact O-CB 3.31Å; F256-I260 VanDerWaalsContact O-CD1 3.31Å; F256-I260 WeakPolarHBondContact O-CD1 3.48Å; F256-I260 WeakPolarHBondContact O-CG1 3.45Å; F256-I260 PolarHBondContact O-N 3.21Å; D257-I260 PolarHBondContact O-N 3.25Å; I260-C262 PolarHBondContact O-N 3.42Å; I260-G263 PolarHBondContact O-N 2.95Å; I260-L264 HydrophobicContact CG2-CD1 3.97Å; I260-L264 HydrophobicContact CG2-CG 4.3Å; I260-L264 WeakPolarHBondContact O-CB 3.38Å; I260-L264 VanDerWaalsContact O-CG 3.3Å; I260-L264 WeakPolarHBondContact O-CG 3.48Å; I260-L264 PolarHBondContact O-N 2.88Å |
| 261 | W | 97.1 | Very high | 95.5 | Very high | 132 Ų | 132 | 40.8 Ų | 40.8 | 50% | 0.5 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.3 | -47.3 | -179.7 | 179.2 | 84.8 | 0 | 0 | 0 | 112.4 | E239 D257 L258 G263 L264 K265 | E239-W261 HydrophobicContact CG-CZ3 3.99Å; D257-W261 WeakPolarHBondContact O-CB 3.03Å; D257-W261 PolarHBondContact O-N 2.97Å; L258-W261 PolarHBondContact O-N 3Å; W261-G263 PolarHBondContact O-N 2.94Å; W261-L264 PolarHBondContact O-N 3.4Å; W261-K265 HydrophobicContact CH2-CD 4.34Å; W261-K265 PolarHBondContact O-N 2.92Å; W261-K265 VanDerWaalsContact O-N 3.13Å |
| 262 | C | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.5 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | V110 I196 L258 I260 L264 K265 V266 | V110-C262 HydrophobicContact CG2-CB 3.74Å; I196-C262 HydrophobicContact CB-CB 4.07Å; I196-C262 HydrophobicContact CD1-CB 3.88Å; I196-C262 HydrophobicContact CG2-CB 3.88Å; L258-C262 VanDerWaalsContact O-CB 3.31Å; L258-C262 WeakPolarHBondContact O-CB 3.3Å; L258-C262 PolarHBondContact O-N 3.22Å; L258-C262 PolarHBondContact O-SG 3.22Å; I260-C262 PolarHBondContact O-N 3.42Å; C262-L264 PolarHBondContact O-N 2.89Å; C262-K265 WeakPolarHBondContact O-CB 3.27Å; C262-K265 PolarHBondContact O-N 3.27Å; C262-V266 PolarHBondContact O-N 3.04Å; C262-V266 VanDerWaalsContact O-N 3.11Å |
| 263 | G | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A259 I260 W261 V266 A267 | A259-G263 PolarHBondContact O-N 3.39Å; I260-G263 PolarHBondContact O-N 2.95Å; W261-G263 PolarHBondContact O-N 2.94Å; G263-V266 PolarHBondContact O-N 3.43Å; G263-A267 WeakPolarHBondContact O-CB 3.31Å; G263-A267 PolarHBondContact O-N 3.08Å |
| 264 | L | 95.3 | Very high | 92.3 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 173.2 | -69.6 | 177.2 | 0 | 0 | 0 | 111.7 | T35 V37 A79 V84 I260 W261 C262 V266 A267 D268 | T35-L264 HydrophobicContact CG2-CD2 3.83Å; V37-L264 HydrophobicContact CG2-CD2 3.91Å; V37-L264 HydrophobicContact CG2-CG 4.21Å; A79-L264 HydrophobicContact CB-CD1 3.84Å; V84-L264 HydrophobicContact CG1-CD2 4.37Å; V84-L264 HydrophobicContact CG2-CD1 4.09Å; V84-L264 HydrophobicContact CG2-CD2 3.88Å; V84-L264 HydrophobicContact CG2-CG 4.41Å; I260-L264 HydrophobicContact CG2-CD1 3.97Å; I260-L264 HydrophobicContact CG2-CG 4.3Å; I260-L264 WeakPolarHBondContact O-CB 3.38Å; I260-L264 VanDerWaalsContact O-CG 3.3Å; I260-L264 WeakPolarHBondContact O-CG 3.48Å; I260-L264 PolarHBondContact O-N 2.88Å; W261-L264 PolarHBondContact O-N 3.4Å; C262-L264 PolarHBondContact O-N 2.89Å; L264-V266 VanDerWaalsContact C-N 3.29Å; L264-V266 PolarHBondContact O-N 2.94Å; L264-A267 PolarHBondContact O-N 3.25Å; L264-D268 VanDerWaalsContact O-CB 3.32Å; L264-D268 WeakPolarHBondContact O-CB 3.07Å; L264-D268 PolarHBondContact O-N 3.44Å |
| 265 | K | 94.6 | Very high | 90.7 | Very high | 75 Ų | 75 | 37.4 Ų | 37.4 | 33% | 0.326 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.1 | -40.8 | 173.9 | -172 | -170.3 | 171.7 | -173.7 | 0 | 111.7 | I192 I196 E239 W261 C262 S269 | I192-K265 HydrophobicContact CD1-CB 4.46Å; I192-K265 HydrophobicContact CD1-CD 4.13Å; I192-K265 HydrophobicContact CD1-CG 3.76Å; I196-K265 HydrophobicContact CD1-CD 3.97Å; E239-K265 IonicContact OE1-NZ 3.11Å; E239-K265 PolarHBondContact OE1-NZ 3.17Å; E239-K265 IonicContact OE2-NZ 3.31Å; E239-K265 PolarHBondContact OE2-NZ 2.88Å; W261-K265 HydrophobicContact CH2-CD 4.34Å; W261-K265 PolarHBondContact O-N 2.92Å; W261-K265 VanDerWaalsContact O-N 3.13Å; C262-K265 WeakPolarHBondContact O-CB 3.27Å; C262-K265 PolarHBondContact O-N 3.27Å; K265-S269 PolarHBondContact O-N 3.29Å; K265-S269 PolarHBondContact O-OG 3.38Å |
| 266 | V | 94.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.9 | -47.9 | 174.5 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | H109 I192 I196 C262 G263 L264 D268 S269 G270 G271 P272 | H109-V266 HydrophobicContact CB-CB 4.37Å; H109-V266 HydrophobicContact CB-CG1 4.4Å; I192-V266 HydrophobicContact CB-CG2 4.44Å; I192-V266 HydrophobicContact CD1-CG2 4.03Å; I192-V266 HydrophobicContact CG2-CG2 4.1Å; I196-V266 HydrophobicContact CD1-CG2 3.78Å; I196-V266 HydrophobicContact CG1-CG2 3.77Å; C262-V266 PolarHBondContact O-N 3.04Å; C262-V266 VanDerWaalsContact O-N 3.11Å; G263-V266 PolarHBondContact O-N 3.43Å; L264-V266 VanDerWaalsContact C-N 3.29Å; L264-V266 PolarHBondContact O-N 2.94Å; V266-D268 VanDerWaalsContact C-N 3.34Å; V266-D268 PolarHBondContact O-N 3.47Å; V266-S269 WeakPolarHBondContact O-CB 3.35Å; V266-S269 PolarHBondContact O-N 3.1Å; V266-S269 VanDerWaalsContact O-N 3.09Å; V266-G270 PolarHBondContact O-N 3.4Å; V266-G271 WeakPolarHBondContact O-CA 3.07Å; V266-G271 PolarHBondContact O-N 2.56Å; V266-P272 HydrophobicContact CG1-CB 4.26Å |
| 267 | A | 93.2 | Very high | 86.3 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T35 G263 L264 S269 G270 | T35-A267 HydrophobicContact CG2-CB 3.79Å; G263-A267 WeakPolarHBondContact O-CB 3.31Å; G263-A267 PolarHBondContact O-N 3.08Å; L264-A267 PolarHBondContact O-N 3.25Å; A267-S269 PolarHBondContact O-N 2.98Å; A267-G270 PolarHBondContact O-N 2.91Å |
| 268 | D | 92.1 | Very high | 83.6 | Confident | 107 Ų | 107 | 57.4 Ų | 57.4 | 57% | 0.572 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.7 | -21.3 | 178.5 | -67.6 | -14.4 | 0 | 0 | 0 | 112.7 | R82 L264 V266 G270 | R82-D268 IonicContact CZ-OD1 2.76Å; R82-D268 VanDerWaalsContact NH1-CG 3.26Å; R82-D268 IonicContact NH1-OD1 3.48Å; R82-D268 PolarHBondContact NH1-OD1 3.5Å; R82-D268 IonicContact NH1-OD2 2.69Å; R82-D268 PolarHBondContact NH1-OD2 2.79Å; R82-D268 IonicContact NH2-OD1 3.52Å; R82-D268 PolarHBondContact NH2-OD1 3.41Å; L264-D268 VanDerWaalsContact O-CB 3.32Å; L264-D268 WeakPolarHBondContact O-CB 3.07Å; L264-D268 PolarHBondContact O-N 3.44Å; V266-D268 VanDerWaalsContact C-N 3.34Å; V266-D268 PolarHBondContact O-N 3.47Å; D268-G270 VanDerWaalsContact C-N 3.29Å |
| 269 | S | 91.2 | Very high | 80.5 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 16% | 0.161 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1.9 | 173.6 | -53.4 | 0 | 0 | 0 | 0 | 113.2 | N190 L191 K265 V266 A267 | N190-S269 PolarHBondContact O-OG 3.12Å; L191-S269 WeakPolarHBondContact CD1-O 2.8Å; K265-S269 PolarHBondContact O-N 3.29Å; K265-S269 PolarHBondContact O-OG 3.38Å; V266-S269 WeakPolarHBondContact O-CB 3.35Å; V266-S269 PolarHBondContact O-N 3.1Å; V266-S269 VanDerWaalsContact O-N 3.09Å; A267-S269 PolarHBondContact O-N 2.98Å |
| 270 | G | 88.3 | Confident | 77.8 | Confident | 72 Ų | 72 | 69.8 Ų | 69.8 | 74% | 0.742 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.2 | 7.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V266 A267 D268 | V266-G270 PolarHBondContact O-N 3.4Å; A267-G270 PolarHBondContact O-N 2.91Å; D268-G270 VanDerWaalsContact C-N 3.29Å |
| 271 | G | 85.7 | Confident | 74.8 | Confident | 14 Ų | 14 | 77.2 Ų | 77.2 | 14% | 0.144 | 41% | 0.41 | C | S | . | . | S | Bend | trans | 89.8 | 172.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | V266 | V266-G271 WeakPolarHBondContact O-CA 3.07Å; V266-G271 PolarHBondContact O-N 2.56Å |
| 272 | P | 81.7 | Confident | 71.8 | Confident | 18 Ų | 18 | 73.7 Ų | 73.7 | 12% | 0.117 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 136.6 | 176.4 | 29.6 | -34.3 | 0 | 0 | 0 | 110.5 | A108 V266 L274 | A108-P272 WeakPolarHBondContact O-CB 3.11Å; A108-P272 WeakPolarHBondContact O-CG 3.15Å; V266-P272 HydrophobicContact CG1-CB 4.26Å; P272-L274 PolarHBondContact O-N 3.06Å |
| 273 | V | 74.3 | Confident | 68.9 | Low | 52 Ų | 52 | 79.5 Ų | 79.5 | 32% | 0.315 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 118.8 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | I140 L191 P193 | I140-V273 HydrophobicContact CD1-CB 3.97Å; I140-V273 HydrophobicContact CD1-CG1 3.83Å; L191-V273 HydrophobicContact CD1-CG2 3.9Å; L191-V273 HydrophobicContact CD2-CG2 3.57Å; L191-V273 HydrophobicContact CG-CG2 3.72Å; P193-V273 WeakPolarHBondContact O-CB 3.32Å; P193-V273 PolarHBondContact O-N 2.77Å |
| 274 | L | 69 | Low | 65.8 | Low | 73 Ų | 73 | 86.7 Ų | 86.7 | 38% | 0.382 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 139.7 | 174.4 | -60.9 | -173.1 | 0 | 0 | 0 | 111.6 | D107 P272 R276 | D107-L274 VanDerWaalsContact OD1-CD1 3.25Å; D107-L274 WeakPolarHBondContact OD1-CD1 3.29Å; D107-L274 WeakPolarHBondContact OD1-CD2 3.48Å; D107-L274 WeakPolarHBondContact OD1-CG 3.42Å; P272-L274 PolarHBondContact O-N 3.06Å; L274-R276 PolarHBondContact O-N 3.09Å |
| 275 | L | 63.7 | Low | 62.7 | Low | 54 Ų | 54 | 90.6 Ų | 90.6 | 28% | 0.283 | 52% | 0.522 | S | S | . | . | trans | -69.3 | 111.6 | 163.1 | -69.7 | 171.3 | 0 | 0 | 0 | 108.2 | I140 E277 | I140-L275 HydrophobicContact CD1-CD2 4.21Å; I140-L275 HydrophobicContact CD1-CG 4.49Å; I140-L275 HydrophobicContact CG1-CD1 4.45Å; I140-L275 HydrophobicContact CG1-CD2 3.98Å; I140-L275 HydrophobicContact CG1-CG 3.85Å; L275-E277 PolarHBondContact O-N 3.22Å | ||
| 276 | R | 55.2 | Low | 59.5 | Low | 231 Ų | 231 | 97 Ų | 97 | 87% | 0.872 | 55% | 0.545 | S | S | * | . | trans | -66.5 | 125.8 | 167.1 | -78.8 | -177.9 | 177.2 | 164 | 1.1 | 108.7 | L274 | L274-R276 PolarHBondContact O-N 3.09Š| ||
| 277 | E | 50.6 | Low | 56.4 | Low | 158 Ų | 158 | 104.6 Ų | 104.6 | 74% | 0.738 | 59% | 0.586 | S | S | * | * | trans | -51 | 130.4 | 163.1 | -76.1 | -82.5 | 141.1 | 0 | 0 | 109.1 | L275 K279 | L275-E277 PolarHBondContact O-N 3.22Å; E277-K279 PolarHBondContact O-N 2.95Å; E277-K279 VanDerWaalsContact O-N 3.12Å | ||
| 278 | P | 39.7 | Very low | 53.5 | Low | 97 Ų | 97 | 106.7 Ų | 106.7 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | trans | -61.5 | 115.8 | 168.4 | -13.3 | 26.4 | 0 | 0 | 0 | 108.2 | S280 | P278-S280 PolarHBondContact O-N 3.5Š| ||
| 279 | K | 34.7 | Very low | 50.5 | Low | 192 Ų | 192 | 109.5 Ų | 109.5 | 84% | 0.835 | 63% | 0.625 | S | S | * | * | trans | -59.5 | 115.4 | 167.1 | -69.5 | -175.1 | 178.1 | -177.5 | 0 | 107.6 | E277 N281 | E277-K279 PolarHBondContact O-N 2.95Å; E277-K279 VanDerWaalsContact O-N 3.12Å; K279-N281 PolarHBondContact O-N 3.38Å | ||
| 280 | S | 41.4 | Very low | 47.5 | Very low | 115 Ų | 115 | 114 Ų | 114 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | trans | -64.4 | 102 | 166.4 | 49.8 | 0 | 0 | 0 | 0 | 108.1 | P278 G282 | P278-S280 PolarHBondContact O-N 3.5Å; S280-G282 PolarHBondContact O-N 3.19Å | ||
| 281 | N | 33.6 | Very low | 44.8 | Very low | 165 Ų | 165 | 117.1 Ų | 117.1 | 88% | 0.882 | 66% | 0.66 | S | S | * | * | trans | -73.8 | 76.3 | 164.7 | -75.5 | -13.6 | 0 | 0 | 0 | 107.8 | K279 | K279-N281 PolarHBondContact O-N 3.38Š| ||
| 282 | G | 35.5 | Very low | 42 | Very low | 58 Ų | 58 | 126.3 Ų | 126.3 | 60% | 0.598 | 70% | 0.696 | S | S | * | * | trans | -122 | 87 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S280 L284 | S280-G282 PolarHBondContact O-N 3.19Å; G282-L284 PolarHBondContact O-N 3.35Å | ||
| 283 | S | 36.3 | Very low | 39.5 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | trans | -65.7 | 97.6 | 168.2 | 53.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 284 | L | 31.4 | Very low | 37.4 | Very low | 152 Ų | 152 | 133 Ų | 133 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | -89.1 | 94.5 | 159.9 | -102.5 | 137.7 | 0 | 0 | 0 | 107.4 | G282 Y286 | G282-L284 PolarHBondContact O-N 3.35Å; L284-Y286 HydrophobicContact CD2-CD2 4.24Å; L284-Y286 HydrophobicContact CD2-CE2 4.31Å; L284-Y286 PolarHBondContact O-N 2.98Å | ||
| 285 | S | 29.8 | Very low | 35.6 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -74.3 | 105.3 | 165.3 | 65 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 286 | Y | 28.1 | Very low | 34.2 | Very low | 210 Ų | 210 | 140.1 Ų | 140.1 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -97.3 | 102.8 | 160.2 | -112.2 | -92 | 0 | 0 | 0 | 107.6 | L284 | L284-Y286 HydrophobicContact CD2-CD2 4.24Å; L284-Y286 HydrophobicContact CD2-CE2 4.31Å; L284-Y286 PolarHBondContact O-N 2.98Å | ||
| 287 | N | 29.1 | Very low | 33.3 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -81.8 | 110.6 | 163.3 | -76.4 | -18.4 | 0 | 0 | 0 | 107 | ||||
| 288 | G | 32.7 | Very low | 32.4 | Very low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -156.6 | 105.6 | 177 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 289 | D | 28.8 | Very low | 32.1 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | -53.9 | 151 | -170.3 | -143 | -13.6 | 0 | 0 | 0 | 114.7 | ||||
| 290 | C | 27.3 | Very low | 32.2 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -116.1 | 114 | -177 | -164.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 291 | T | 33.2 | Very low | 31.8 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -134.9 | 129 | 164 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 292 | K | 26.7 | Very low | 31.6 | Very low | 208 Ų | 208 | 130.6 Ų | 130.6 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | -64.8 | 151 | -175 | -63.2 | 170.6 | 174.5 | 175.4 | 0 | 114.8 | ||||
| 293 | A | 29.6 | Very low | 31.6 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 178.6 | 102.9 | 136.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 294 | T | 29.9 | Very low | 31.2 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | 74.5 | 118.6 | 103.8 | 56.4 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 295 | N | 30.1 | Very low | 31.2 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | 53.5 | 129.1 | 145.4 | -57.4 | -8.4 | 0 | 0 | 0 | 118.1 | ||||
| 296 | N | 34.4 | Very low | 31 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | -173.8 | 159.6 | 55.2 | -132.5 | 26.2 | 0 | 0 | 0 | 110.8 | |||||
| 297 | D | 35.4 | Very low | 31.2 | Very low | 117 Ų | 117 | 135 Ų | 135 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | trans | 86.4 | 103.5 | 148.5 | -58.9 | -34.2 | 0 | 0 | 0 | 123.1 | ||||
| 298 | N | 32.3 | Very low | 31.1 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | 52 | 112 | 122.6 | -58.3 | -27.8 | 0 | 0 | 0 | 121.6 | |||||
| 299 | S | 33.1 | Very low | 31.1 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | 161.6 | 114 | 107.1 | 76 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 300 | V | 36.9 | Very low | 31.2 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | 99.1 | 125.3 | 90.4 | 168.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 301 | D | 33.3 | Very low | 31.2 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | trans | 85 | 94.2 | 154.6 | -64.2 | -23.1 | 0 | 0 | 0 | 123.8 | ||||
| 302 | N | 29 | Very low | 30.9 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | 42.1 | 120.6 | 107.5 | -63.6 | -44.1 | 0 | 0 | 0 | 119.1 | |||||
| 303 | N | 35.3 | Very low | 30.8 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | -161.5 | 122.5 | 120.7 | -93.4 | -33 | 0 | 0 | 0 | 112.9 | |||||
| 304 | H | 29 | Very low | 30.8 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | -90.1 | 124.8 | 178.9 | -159.9 | -55 | 0 | 0 | 0 | 107.6 | M306 | H304-M306 VanDerWaalsContact CE1-CG 3.5Å; H304-M306 WeakPolarHBondContact CE1-CG 3.39Å | ||
| 305 | I | 31.8 | Very low | 30.6 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | -117.4 | 102 | 167.2 | -63.7 | 179 | 0 | 0 | 0 | 107.2 | T307 | I305-T307 HydrophobicContact CG2-CG2 4.48Š| ||
| 306 | M | 26.1 | Very low | 30.7 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | trans | -77.4 | 131.3 | 163.3 | -79.5 | -153.2 | 161.6 | 0 | 0 | 109 | H304 | H304-M306 VanDerWaalsContact CE1-CG 3.5Å; H304-M306 WeakPolarHBondContact CE1-CG 3.39Å | ||
| 307 | T | 31.8 | Very low | 30.3 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | -108 | 96.9 | 162.4 | 53 | 0 | 0 | 0 | 0 | 107.8 | I305 S309 | I305-T307 HydrophobicContact CG2-CG2 4.48Å; T307-S309 PolarHBondContact O-N 3.29Å | ||
| 308 | D | 27.3 | Very low | 30.3 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | trans | -70.7 | 116 | 170.2 | -95.7 | -26.6 | 0 | 0 | 0 | 109.4 | H310 | D308-H310 PolarHBondContact O-N 2.88Š| ||
| 309 | S | 31.1 | Very low | 30.2 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -88.1 | 99.8 | 172.3 | -61 | 0 | 0 | 0 | 0 | 108.8 | T307 S311 | T307-S309 PolarHBondContact O-N 3.29Å; S309-S311 PolarHBondContact O-N 3.08Å; S309-S311 VanDerWaalsContact O-N 3.17Å | ||
| 310 | H | 30.8 | Very low | 30.3 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -73.5 | 102.5 | 172.4 | -80.9 | -66.3 | 0 | 0 | 0 | 110.6 | D308 F312 | D308-H310 PolarHBondContact O-N 2.88Å; H310-F312 HydrophobicContact CB-CD2 4.39Å; H310-F312 HydrophobicContact CB-CE2 4.09Å | ||
| 311 | S | 27.9 | Very low | 30.1 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 116.3 | 166.5 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | S309 | S309-S311 PolarHBondContact O-N 3.08Å; S309-S311 VanDerWaalsContact O-N 3.17Å |
| 312 | F | 27.8 | Very low | 29.7 | Very low | 165 Ų | 165 | 143 Ų | 143 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 126.1 | 167 | -80.6 | -84.8 | 0 | 0 | 0 | 109.8 | H310 | H310-F312 HydrophobicContact CB-CD2 4.39Å; H310-F312 HydrophobicContact CB-CE2 4.09Å |
| 313 | R | 24.9 | Very low | 29.7 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -86 | 124.7 | 170.9 | -80.9 | 179.2 | 171 | 162 | -1.3 | 109.2 | ||
| 314 | I | 29.4 | Very low | 29.4 | Very low | 88 Ų | 88 | 143.9 Ų | 143.9 | 45% | 0.451 | 75% | 0.752 | S | S | . | * | trans | -112.3 | 115.6 | 165.2 | -62.5 | -175.3 | 0 | 0 | 0 | 107.8 | T57 | T57-I314 WeakPolarHBondContact O-CD1 3.25Š| ||
| 315 | I | 25.5 | Very low | 29.3 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | -90.3 | 106.1 | 169.7 | -59.2 | 172.4 | 0 | 0 | 0 | 106.2 | E317 | I315-E317 HydrophobicContact CG2-CG 4.12Å; I315-E317 PolarHBondContact O-N 3.23Å | ||
| 316 | A | 31.9 | Very low | 29.1 | Very low | 95 Ų | 95 | 146.4 Ų | 146.4 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -93.4 | 90 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 317 | E | 26.5 | Very low | 29.2 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -74.7 | 118.2 | 161.4 | -76.4 | -179.7 | 162.6 | 0 | 0 | 108.9 | I315 | I315-E317 HydrophobicContact CG2-CG 4.12Å; I315-E317 PolarHBondContact O-N 3.23Å | ||
| 318 | N | 33.7 | Very low | 29 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -165.5 | 129.4 | 131 | -108.1 | -34.1 | 0 | 0 | 0 | 114.1 | ||||
| 319 | N | 30.3 | Very low | 29.2 | Very low | 142 Ų | 142 | 151.7 Ų | 151.7 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -56 | 138.1 | 173 | -76.1 | -54.1 | 0 | 0 | 0 | 112.9 | ||||
| 320 | N | 35.7 | Very low | 29.3 | Very low | 150 Ų | 150 | 158.1 Ų | 158.1 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | -175.4 | 113.8 | 121.9 | -90.9 | -34.6 | 0 | 0 | 0 | 114.2 | |||||
| 321 | K | 32.7 | Very low | 29.3 | Very low | 195 Ų | 195 | 161.4 Ų | 161.4 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | 25.6 | 109 | 142.2 | -73.9 | 174 | 175.8 | 170.9 | 0 | 120.5 | ||||
| 322 | C | 26.1 | Very low | 29.4 | Very low | 112 Ų | 112 | 165.8 Ų | 165.8 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | 51.1 | 114.6 | 115.1 | -158.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 323 | K | 28.8 | Very low | 29.6 | Very low | 188 Ų | 188 | 165.6 Ų | 165.6 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | 177.3 | 119.4 | 107.7 | -92 | 172.7 | -173.7 | -179.7 | 0 | 112.1 | |||||
| 324 | T | 27.7 | Very low | 29.9 | Very low | 129 Ų | 129 | 160.8 Ų | 160.8 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 4.3 | 122.2 | 150 | 50.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 325 | L | 27.9 | Very low | 30.1 | Very low | 161 Ų | 161 | 161.7 Ų | 161.7 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -165.7 | 100.8 | 135 | -106.7 | 153.9 | 0 | 0 | 0 | 112.1 | K327 | L325-K327 PolarHBondContact O-N 3.16Š| ||
| 326 | K | 27.4 | Very low | 30.3 | Very low | 198 Ų | 198 | 161.9 Ų | 161.9 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -65.1 | 113.4 | 158.3 | -75.8 | 177.5 | 174.9 | 176.8 | 0 | 108.4 | ||||
| 327 | K | 27.7 | Very low | 30.3 | Very low | 197 Ų | 197 | 166.3 Ų | 166.3 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | S | Bend | trans | 158.2 | 124.5 | 143.2 | -90.3 | 168.1 | 179.7 | -178.7 | 0 | 110.6 | L325 | L325-K327 PolarHBondContact O-N 3.16Š|
| 328 | G | 27.8 | Very low | 30.5 | Very low | 72 Ų | 72 | 166.3 Ų | 166.3 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | trans | 80.4 | 74.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 329 | W | 31 | Very low | 30.3 | Very low | 238 Ų | 238 | 166.6 Ų | 166.6 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -111.1 | 65.3 | 168.5 | -69.5 | 39.8 | 0 | 0 | 0 | 109 | ||||
| 330 | R | 33.8 | Very low | 30.3 | Very low | 243 Ų | 243 | 167.9 Ų | 167.9 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -118.7 | 19.2 | 162.1 | -82.4 | -158.2 | -165.5 | -127.5 | 6.4 | 111.8 | ||
| 331 | R | 29.9 | Very low | 30 | Very low | 223 Ų | 223 | 169 Ų | 169 | 84% | 0.842 | 83% | 0.834 | S | S | * | * | trans | -147.2 | 77.4 | 178.7 | -75.8 | -171.5 | -173.5 | 168.1 | 1.6 | 111 | ||||
| 332 | F | 30.7 | Very low | 29.8 | Very low | 201 Ų | 201 | 167.4 Ų | 167.4 | 88% | 0.882 | 83% | 0.833 | S | S | * | * | trans | -154.9 | 60.2 | 154.3 | -94.2 | -71.1 | 0 | 0 | 0 | 109.6 | ||||
| 333 | F | 31.8 | Very low | 30.1 | Very low | 161 Ų | 161 | 171.1 Ų | 171.1 | 71% | 0.706 | 84% | 0.838 | S | S | * | * | trans | -124.7 | 71.9 | 147.3 | -81.3 | -75.4 | 0 | 0 | 0 | 106.3 | ||||
| 334 | C | 32.3 | Very low | 30.2 | Very low | 111 Ų | 111 | 169.9 Ų | 169.9 | 75% | 0.75 | 84% | 0.839 | S | S | * | * | trans | -109.1 | 100.5 | 155.3 | -73.5 | 0 | 0 | 0 | 0 | 105.7 | N336 | C334-N336 PolarHBondContact O-N 3.33Š| ||
| 335 | I | 33 | Very low | 30.3 | Very low | 107 Ų | 107 | 173 Ų | 173 | 55% | 0.549 | 84% | 0.843 | S | S | . | * | trans | -61.4 | 116.4 | 157.2 | -62.8 | 166.9 | 0 | 0 | 0 | 105.3 | ||||
| 336 | N | 28.7 | Very low | 30.5 | Very low | 149 Ų | 149 | 174 Ų | 174 | 80% | 0.797 | 84% | 0.843 | S | S | * | * | trans | -107.2 | 115.5 | 161.2 | -92.2 | -24 | 0 | 0 | 0 | 106.8 | C334 | C334-N336 PolarHBondContact O-N 3.33Š| ||
| 337 | S | 32.5 | Very low | 30.8 | Very low | 188 Ų | 188 | 171.8 Ų | 171.8 | 100% | 1.315 | 84% | 0.842 | S | S | * | * | trans | 76.8 | 0 | 173.7 | -53.9 | 0 | 0 | 0 | 0 | 117.1 |
Retrieved 337 of 337 residues in 632.9 ms
(Link to these results)